USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 387 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -145:sc= 0.849 (180deg=0.207) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 166:sc= -0.136 (180deg=-0.445) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 63:sc= 0.611 USER MOD Single : A 28 TYR OH : rot 30:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 1:sc= -0.939 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.889 -16.370 -11.201 0.01 0.01 N ATOM 2 CA ALA A 1 2.722 -15.644 -9.916 1.00 0.00 C ATOM 3 C ALA A 1 3.020 -16.580 -8.740 1.00 0.00 C ATOM 4 O ALA A 1 2.476 -17.685 -8.689 1.00 0.00 O ATOM 5 CB ALA A 1 1.316 -15.009 -9.793 1.00 0.00 C ATOM 0 H1 ALA A 1 2.685 -15.727 -11.992 0.01 0.01 H new ATOM 0 H2 ALA A 1 3.867 -16.716 -11.280 0.01 0.01 H new ATOM 0 H3 ALA A 1 2.233 -17.176 -11.232 0.01 0.01 H new ATOM 0 HA ALA A 1 3.439 -14.823 -9.894 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.234 -14.487 -8.839 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.164 -14.301 -10.608 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.558 -15.791 -9.845 1.00 0.00 H new ATOM 13 N LEU A 2 3.862 -16.162 -7.784 1.00 0.00 N ATOM 14 CA LEU A 2 4.105 -16.926 -6.542 1.00 0.00 C ATOM 15 C LEU A 2 2.819 -17.121 -5.709 1.00 0.00 C ATOM 16 O LEU A 2 2.574 -18.195 -5.156 1.00 0.00 O ATOM 17 CB LEU A 2 5.168 -16.220 -5.665 1.00 0.00 C ATOM 18 CG LEU A 2 6.525 -16.947 -5.630 1.00 0.00 C ATOM 19 CD1 LEU A 2 7.389 -16.561 -6.828 1.00 0.00 C ATOM 20 CD2 LEU A 2 7.274 -16.596 -4.344 1.00 0.00 C ATOM 0 H LEU A 2 4.392 -15.293 -7.844 1.00 0.00 H new ATOM 0 HA LEU A 2 4.465 -17.908 -6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.318 -15.207 -6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.787 -16.132 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 2 6.329 -18.019 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.341 -17.090 -6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.874 -16.831 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.570 -15.486 -6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.233 -17.115 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.443 -15.520 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.681 -16.903 -3.482 1.00 0.00 H new ATOM 32 N VAL A 3 2.016 -16.058 -5.613 1.00 0.00 N ATOM 33 CA VAL A 3 0.775 -15.971 -4.825 1.00 0.00 C ATOM 34 C VAL A 3 -0.071 -14.777 -5.300 1.00 0.00 C ATOM 35 O VAL A 3 0.474 -13.761 -5.744 1.00 0.00 O ATOM 36 CB VAL A 3 1.118 -15.852 -3.316 1.00 0.00 C ATOM 37 CG1 VAL A 3 1.865 -14.560 -2.956 1.00 0.00 C ATOM 38 CG2 VAL A 3 -0.111 -15.981 -2.409 1.00 0.00 C ATOM 0 H VAL A 3 2.221 -15.189 -6.106 1.00 0.00 H new ATOM 0 HA VAL A 3 0.188 -16.878 -4.972 1.00 0.00 H new ATOM 0 HB VAL A 3 1.783 -16.696 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.072 -14.545 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.804 -14.517 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.250 -13.699 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.195 -15.889 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.824 -15.193 -2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.578 -16.953 -2.566 1.00 0.00 H new ATOM 48 N ASP A 4 -1.397 -14.878 -5.171 1.00 0.00 N ATOM 49 CA ASP A 4 -2.360 -13.787 -5.414 1.00 0.00 C ATOM 50 C ASP A 4 -3.129 -13.359 -4.155 1.00 0.00 C ATOM 51 O ASP A 4 -3.474 -12.189 -4.039 1.00 0.00 O ATOM 52 CB ASP A 4 -3.336 -14.177 -6.541 1.00 0.00 C ATOM 53 CG ASP A 4 -4.370 -15.255 -6.140 1.00 0.00 C ATOM 54 OD1 ASP A 4 -3.959 -16.375 -5.753 1.00 0.00 O ATOM 55 OD2 ASP A 4 -5.592 -14.978 -6.211 1.00 0.00 O ATOM 0 H ASP A 4 -1.849 -15.747 -4.886 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.775 -12.920 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.868 -13.284 -6.871 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.762 -14.540 -7.394 1.00 0.00 H new ATOM 60 N GLU A 5 -3.330 -14.258 -3.181 1.00 0.00 N ATOM 61 CA GLU A 5 -4.034 -13.981 -1.905 1.00 0.00 C ATOM 62 C GLU A 5 -3.333 -12.942 -1.028 1.00 0.00 C ATOM 63 O GLU A 5 -3.972 -12.002 -0.561 1.00 0.00 O ATOM 64 CB GLU A 5 -4.230 -15.280 -1.110 1.00 0.00 C ATOM 65 CG GLU A 5 -5.152 -15.101 0.101 1.00 0.00 C ATOM 66 CD GLU A 5 -6.257 -16.149 0.101 1.00 0.00 C ATOM 67 OE1 GLU A 5 -7.235 -15.982 -0.663 1.00 0.00 O ATOM 68 OE2 GLU A 5 -6.155 -17.126 0.876 1.00 0.00 O ATOM 0 H GLU A 5 -3.003 -15.222 -3.253 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.999 -13.557 -2.182 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.645 -16.044 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.260 -15.644 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.571 -15.179 1.020 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.591 -14.103 0.085 1.00 0.00 H new ATOM 75 N VAL A 6 -2.012 -13.060 -0.859 1.00 0.00 N ATOM 76 CA VAL A 6 -1.169 -12.039 -0.192 1.00 0.00 C ATOM 77 C VAL A 6 -1.322 -10.685 -0.883 1.00 0.00 C ATOM 78 O VAL A 6 -1.536 -9.670 -0.222 1.00 0.00 O ATOM 79 CB VAL A 6 0.316 -12.458 -0.201 1.00 0.00 C ATOM 80 CG1 VAL A 6 1.318 -11.334 0.104 1.00 0.00 C ATOM 81 CG2 VAL A 6 0.564 -13.592 0.801 1.00 0.00 C ATOM 0 H VAL A 6 -1.484 -13.871 -1.181 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.503 -11.955 0.842 1.00 0.00 H new ATOM 0 HB VAL A 6 0.494 -12.774 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.332 -11.732 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.216 -10.544 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.118 -10.927 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.617 -13.873 0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.299 -13.256 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.047 -14.454 0.533 1.00 0.00 H new ATOM 91 N LYS A 7 -1.267 -10.677 -2.220 1.00 0.00 N ATOM 92 CA LYS A 7 -1.426 -9.461 -3.011 1.00 0.00 C ATOM 93 C LYS A 7 -2.795 -8.808 -2.727 1.00 0.00 C ATOM 94 O LYS A 7 -2.824 -7.671 -2.273 1.00 0.00 O ATOM 95 CB LYS A 7 -1.136 -9.756 -4.502 1.00 0.00 C ATOM 96 CG LYS A 7 -0.363 -8.607 -5.179 1.00 0.00 C ATOM 97 CD LYS A 7 0.181 -8.944 -6.578 1.00 0.00 C ATOM 98 CE LYS A 7 1.555 -9.629 -6.508 1.00 0.00 C ATOM 99 NZ LYS A 7 2.180 -9.756 -7.842 1.00 0.00 N ATOM 0 H LYS A 7 -1.111 -11.515 -2.780 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.690 -8.713 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.560 -10.678 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.076 -9.920 -5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.019 -7.740 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.470 -8.319 -4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.524 -9.596 -7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.260 -8.030 -7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.212 -9.057 -5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.445 -10.618 -6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.718 -10.645 -7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.440 -9.758 -8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.822 -8.954 -8.002 1.00 0.00 H new ATOM 113 N ASP A 8 -3.912 -9.539 -2.847 1.00 0.00 N ATOM 114 CA ASP A 8 -5.284 -9.083 -2.521 1.00 0.00 C ATOM 115 C ASP A 8 -5.442 -8.518 -1.101 1.00 0.00 C ATOM 116 O ASP A 8 -6.101 -7.495 -0.907 1.00 0.00 O ATOM 117 CB ASP A 8 -6.295 -10.228 -2.762 1.00 0.00 C ATOM 118 CG ASP A 8 -7.286 -9.922 -3.907 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.282 -9.198 -3.665 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.078 -10.412 -5.044 1.00 0.00 O ATOM 0 H ASP A 8 -3.891 -10.501 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.491 -8.250 -3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.751 -11.144 -2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.853 -10.412 -1.844 1.00 0.00 H new ATOM 125 N MET A 9 -4.817 -9.148 -0.107 1.00 0.00 N ATOM 126 CA MET A 9 -4.894 -8.714 1.292 1.00 0.00 C ATOM 127 C MET A 9 -4.153 -7.386 1.544 1.00 0.00 C ATOM 128 O MET A 9 -4.682 -6.482 2.199 1.00 0.00 O ATOM 129 CB MET A 9 -4.341 -9.818 2.208 1.00 0.00 C ATOM 130 CG MET A 9 -5.033 -9.774 3.572 1.00 0.00 C ATOM 131 SD MET A 9 -4.298 -10.866 4.819 1.00 0.00 S ATOM 132 CE MET A 9 -5.569 -10.726 6.103 1.00 0.00 C ATOM 0 H MET A 9 -4.240 -9.977 -0.248 1.00 0.00 H new ATOM 0 HA MET A 9 -5.945 -8.535 1.521 1.00 0.00 H new ATOM 0 HB2 MET A 9 -4.494 -10.793 1.746 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.266 -9.690 2.334 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.010 -8.750 3.945 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.081 -10.043 3.443 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.288 -11.337 6.961 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.660 -9.685 6.413 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.524 -11.072 5.708 1.00 0.00 H new ATOM 142 N GLU A 10 -2.957 -7.223 0.966 1.00 0.00 N ATOM 143 CA GLU A 10 -2.187 -5.963 0.996 1.00 0.00 C ATOM 144 C GLU A 10 -2.822 -4.860 0.146 1.00 0.00 C ATOM 145 O GLU A 10 -2.748 -3.695 0.519 1.00 0.00 O ATOM 146 CB GLU A 10 -0.742 -6.206 0.542 1.00 0.00 C ATOM 147 CG GLU A 10 0.260 -6.393 1.684 1.00 0.00 C ATOM 148 CD GLU A 10 -0.086 -7.527 2.643 1.00 0.00 C ATOM 149 OE1 GLU A 10 -0.804 -7.272 3.638 1.00 0.00 O ATOM 150 OE2 GLU A 10 0.437 -8.647 2.454 1.00 0.00 O ATOM 0 H GLU A 10 -2.486 -7.970 0.456 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.194 -5.618 2.030 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.718 -7.091 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.421 -5.364 -0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.246 -6.580 1.259 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.327 -5.463 2.249 1.00 0.00 H new ATOM 157 N ILE A 11 -3.521 -5.212 -0.938 1.00 0.00 N ATOM 158 CA ILE A 11 -4.310 -4.280 -1.763 1.00 0.00 C ATOM 159 C ILE A 11 -5.495 -3.687 -0.963 1.00 0.00 C ATOM 160 O ILE A 11 -5.774 -2.488 -1.033 1.00 0.00 O ATOM 161 CB ILE A 11 -4.787 -4.962 -3.064 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.587 -5.257 -3.989 1.00 0.00 C ATOM 163 CG2 ILE A 11 -5.797 -4.092 -3.840 1.00 0.00 C ATOM 164 CD1 ILE A 11 -3.889 -6.386 -4.987 1.00 0.00 C ATOM 0 H ILE A 11 -3.557 -6.173 -1.277 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.662 -3.450 -2.045 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.278 -5.889 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.320 -4.352 -4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.722 -5.530 -3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.104 -4.612 -4.747 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.671 -3.905 -3.216 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.331 -3.143 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.016 -6.558 -5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.129 -7.299 -4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.736 -6.103 -5.611 1.00 0.00 H new ATOM 176 N ALA A 12 -6.167 -4.498 -0.139 1.00 0.00 N ATOM 177 CA ALA A 12 -7.225 -4.023 0.766 1.00 0.00 C ATOM 178 C ALA A 12 -6.691 -3.011 1.806 1.00 0.00 C ATOM 179 O ALA A 12 -7.312 -1.981 2.089 1.00 0.00 O ATOM 180 CB ALA A 12 -7.867 -5.236 1.450 1.00 0.00 C ATOM 0 H ALA A 12 -5.995 -5.502 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.975 -3.490 0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.654 -4.899 2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.294 -5.896 0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.110 -5.777 2.017 1.00 0.00 H new ATOM 186 N ARG A 13 -5.478 -3.254 2.307 1.00 0.00 N ATOM 187 CA ARG A 13 -4.715 -2.317 3.140 1.00 0.00 C ATOM 188 C ARG A 13 -4.506 -0.932 2.477 1.00 0.00 C ATOM 189 O ARG A 13 -4.570 0.092 3.157 1.00 0.00 O ATOM 190 CB ARG A 13 -3.378 -2.988 3.514 1.00 0.00 C ATOM 191 CG ARG A 13 -3.321 -3.419 4.985 1.00 0.00 C ATOM 192 CD ARG A 13 -1.992 -4.126 5.284 1.00 0.00 C ATOM 193 NE ARG A 13 -2.148 -5.163 6.316 1.00 0.00 N ATOM 194 CZ ARG A 13 -1.853 -5.082 7.604 1.00 0.00 C ATOM 195 NH1 ARG A 13 -1.357 -4.004 8.149 1.00 0.00 N ATOM 196 NH2 ARG A 13 -2.062 -6.110 8.379 1.00 0.00 N ATOM 0 H ARG A 13 -4.984 -4.131 2.141 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.291 -2.102 4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.224 -3.860 2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.560 -2.297 3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.430 -2.547 5.630 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.154 -4.086 5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.606 -4.577 4.370 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.256 -3.393 5.613 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.531 -6.054 6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.181 -3.178 7.577 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.145 -3.988 9.147 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.451 -6.970 7.992 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.837 -6.054 9.372 1.00 0.00 H new ATOM 210 N LEU A 14 -4.347 -0.872 1.149 1.00 0.00 N ATOM 211 CA LEU A 14 -4.257 0.382 0.368 1.00 0.00 C ATOM 212 C LEU A 14 -5.557 1.184 0.403 1.00 0.00 C ATOM 213 O LEU A 14 -5.563 2.395 0.623 1.00 0.00 O ATOM 214 CB LEU A 14 -3.925 0.106 -1.110 1.00 0.00 C ATOM 215 CG LEU A 14 -2.879 -0.971 -1.359 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.682 -1.138 -2.859 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.566 -0.732 -0.636 1.00 0.00 C ATOM 0 H LEU A 14 -4.275 -1.708 0.569 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.459 0.957 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.843 -0.179 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.580 1.034 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.257 -1.901 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.934 -1.908 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.626 -1.431 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.346 -0.195 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.873 -1.542 -0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.138 0.215 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.744 -0.698 0.439 1.00 0.00 H new ATOM 229 N MET A 15 -6.675 0.476 0.245 1.00 0.00 N ATOM 230 CA MET A 15 -8.020 1.042 0.377 1.00 0.00 C ATOM 231 C MET A 15 -8.272 1.659 1.770 1.00 0.00 C ATOM 232 O MET A 15 -9.065 2.594 1.899 1.00 0.00 O ATOM 233 CB MET A 15 -9.059 -0.051 0.077 1.00 0.00 C ATOM 234 CG MET A 15 -10.156 0.431 -0.875 1.00 0.00 C ATOM 235 SD MET A 15 -9.650 0.803 -2.586 1.00 0.00 S ATOM 236 CE MET A 15 -8.820 -0.738 -3.070 1.00 0.00 C ATOM 0 H MET A 15 -6.674 -0.519 0.019 1.00 0.00 H new ATOM 0 HA MET A 15 -8.112 1.856 -0.342 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.558 -0.915 -0.359 1.00 0.00 H new ATOM 0 HB3 MET A 15 -9.513 -0.383 1.011 1.00 0.00 H new ATOM 0 HG2 MET A 15 -10.936 -0.330 -0.909 1.00 0.00 H new ATOM 0 HG3 MET A 15 -10.605 1.329 -0.450 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.682 -0.753 -4.151 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.849 -0.798 -2.579 1.00 0.00 H new ATOM 0 HE3 MET A 15 -9.431 -1.590 -2.770 1.00 0.00 H new ATOM 246 N SER A 16 -7.556 1.195 2.802 1.00 0.00 N ATOM 247 CA SER A 16 -7.597 1.755 4.161 1.00 0.00 C ATOM 248 C SER A 16 -6.766 3.052 4.358 1.00 0.00 C ATOM 249 O SER A 16 -6.918 3.732 5.377 1.00 0.00 O ATOM 250 CB SER A 16 -7.112 0.686 5.153 1.00 0.00 C ATOM 251 OG SER A 16 -7.756 0.812 6.410 1.00 0.00 O ATOM 0 H SER A 16 -6.919 0.404 2.715 1.00 0.00 H new ATOM 0 HA SER A 16 -8.634 2.040 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.303 -0.306 4.743 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.034 0.774 5.285 1.00 0.00 H new ATOM 0 HG SER A 16 -7.427 0.117 7.017 1.00 0.00 H new ATOM 257 N LEU A 17 -5.916 3.437 3.389 1.00 0.00 N ATOM 258 CA LEU A 17 -5.114 4.676 3.390 1.00 0.00 C ATOM 259 C LEU A 17 -5.568 5.707 2.324 1.00 0.00 C ATOM 260 O LEU A 17 -5.041 6.821 2.287 1.00 0.00 O ATOM 261 CB LEU A 17 -3.617 4.313 3.213 1.00 0.00 C ATOM 262 CG LEU A 17 -2.966 3.836 4.522 1.00 0.00 C ATOM 263 CD1 LEU A 17 -1.662 3.102 4.266 1.00 0.00 C ATOM 264 CD2 LEU A 17 -2.652 5.023 5.440 1.00 0.00 C ATOM 0 H LEU A 17 -5.762 2.874 2.553 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.269 5.166 4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.523 3.532 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.078 5.183 2.839 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.683 3.163 4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.233 2.781 5.215 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.852 2.230 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.964 3.767 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.192 4.660 6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.966 5.702 4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.575 5.552 5.680 1.00 0.00 H new ATOM 276 N GLY A 18 -6.550 5.370 1.478 1.00 0.00 N ATOM 277 CA GLY A 18 -7.079 6.262 0.432 1.00 0.00 C ATOM 278 C GLY A 18 -6.288 6.191 -0.885 1.00 0.00 C ATOM 279 O GLY A 18 -5.465 7.056 -1.180 1.00 0.00 O ATOM 0 H GLY A 18 -7.007 4.458 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.120 6.004 0.237 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.068 7.288 0.800 1.00 0.00 H new ATOM 283 N LEU A 19 -6.548 5.124 -1.643 1.00 0.00 N ATOM 284 CA LEU A 19 -5.865 4.762 -2.898 1.00 0.00 C ATOM 285 C LEU A 19 -6.811 4.206 -3.991 1.00 0.00 C ATOM 286 O LEU A 19 -7.972 3.886 -3.719 1.00 0.00 O ATOM 287 CB LEU A 19 -4.719 3.787 -2.549 1.00 0.00 C ATOM 288 CG LEU A 19 -3.518 4.468 -1.853 1.00 0.00 C ATOM 289 CD1 LEU A 19 -2.488 3.451 -1.380 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.812 5.466 -2.779 1.00 0.00 C ATOM 0 H LEU A 19 -7.274 4.453 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.461 5.668 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.106 3.001 -1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.373 3.304 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.934 4.996 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.660 3.970 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.952 2.767 -0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.114 2.888 -2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.974 5.922 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.444 4.945 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.515 6.242 -3.082 1.00 0.00 H new ATOM 302 N SER A 20 -6.312 4.141 -5.236 1.00 0.00 N ATOM 303 CA SER A 20 -7.008 3.612 -6.422 1.00 0.00 C ATOM 304 C SER A 20 -7.303 2.093 -6.311 1.00 0.00 C ATOM 305 O SER A 20 -7.258 1.518 -5.221 1.00 0.00 O ATOM 306 CB SER A 20 -6.168 3.943 -7.674 1.00 0.00 C ATOM 307 OG SER A 20 -5.824 5.320 -7.741 1.00 0.00 O ATOM 0 H SER A 20 -5.371 4.470 -5.454 1.00 0.00 H new ATOM 0 HA SER A 20 -7.984 4.091 -6.499 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.258 3.343 -7.668 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.727 3.666 -8.568 1.00 0.00 H new ATOM 0 HG SER A 20 -5.292 5.485 -8.547 1.00 0.00 H new ATOM 313 N ILE A 21 -7.570 1.405 -7.432 1.00 0.00 N ATOM 314 CA ILE A 21 -7.849 -0.045 -7.429 1.00 0.00 C ATOM 315 C ILE A 21 -6.734 -0.832 -8.131 1.00 0.00 C ATOM 316 O ILE A 21 -5.876 -1.389 -7.452 1.00 0.00 O ATOM 317 CB ILE A 21 -9.263 -0.321 -7.992 1.00 0.00 C ATOM 318 CG1 ILE A 21 -10.361 0.415 -7.179 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.575 -1.829 -8.012 1.00 0.00 C ATOM 320 CD1 ILE A 21 -11.245 1.279 -8.083 1.00 0.00 C ATOM 0 H ILE A 21 -7.599 1.830 -8.359 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.851 -0.408 -6.401 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.268 0.060 -9.013 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.978 -0.315 -6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.894 1.041 -6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.576 -1.988 -8.413 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.847 -2.343 -8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.523 -2.225 -6.998 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.003 1.780 -7.480 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.631 2.025 -8.587 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.732 0.648 -8.827 1.00 0.00 H new ATOM 332 N GLU A 22 -6.685 -0.826 -9.469 1.00 0.00 N ATOM 333 CA GLU A 22 -5.693 -1.617 -10.236 1.00 0.00 C ATOM 334 C GLU A 22 -4.349 -0.889 -10.306 1.00 0.00 C ATOM 335 O GLU A 22 -3.307 -1.468 -10.010 1.00 0.00 O ATOM 336 CB GLU A 22 -6.253 -2.014 -11.611 1.00 0.00 C ATOM 337 CG GLU A 22 -5.608 -3.287 -12.165 1.00 0.00 C ATOM 338 CD GLU A 22 -6.573 -3.998 -13.108 1.00 0.00 C ATOM 339 OE1 GLU A 22 -7.434 -4.762 -12.616 1.00 0.00 O ATOM 340 OE2 GLU A 22 -6.459 -3.808 -14.340 1.00 0.00 O ATOM 0 H GLU A 22 -7.321 -0.282 -10.052 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.500 -2.552 -9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.330 -2.162 -11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.095 -1.196 -12.314 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.689 -3.037 -12.694 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.333 -3.951 -11.345 1.00 0.00 H new ATOM 347 N GLU A 23 -4.374 0.422 -10.574 1.00 0.00 N ATOM 348 CA GLU A 23 -3.186 1.299 -10.445 1.00 0.00 C ATOM 349 C GLU A 23 -2.603 1.310 -9.024 1.00 0.00 C ATOM 350 O GLU A 23 -1.400 1.128 -8.866 1.00 0.00 O ATOM 351 CB GLU A 23 -3.535 2.730 -10.880 1.00 0.00 C ATOM 352 CG GLU A 23 -2.314 3.592 -11.192 1.00 0.00 C ATOM 353 CD GLU A 23 -1.774 3.287 -12.585 1.00 0.00 C ATOM 354 OE1 GLU A 23 -2.288 3.879 -13.561 1.00 0.00 O ATOM 355 OE2 GLU A 23 -0.826 2.480 -12.699 1.00 0.00 O ATOM 0 H GLU A 23 -5.213 0.912 -10.886 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.418 0.888 -11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.173 2.686 -11.763 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.115 3.209 -10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.581 4.647 -11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.537 3.412 -10.449 1.00 0.00 H new ATOM 362 N ALA A 24 -3.463 1.441 -8.002 1.00 0.00 N ATOM 363 CA ALA A 24 -3.037 1.249 -6.610 1.00 0.00 C ATOM 364 C ALA A 24 -2.335 -0.099 -6.382 1.00 0.00 C ATOM 365 O ALA A 24 -1.274 -0.098 -5.772 1.00 0.00 O ATOM 366 CB ALA A 24 -4.177 1.394 -5.623 1.00 0.00 C ATOM 0 H ALA A 24 -4.449 1.677 -8.113 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.318 2.048 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.803 1.242 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.605 2.393 -5.706 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.944 0.651 -5.842 1.00 0.00 H new ATOM 372 N THR A 25 -2.858 -1.218 -6.896 1.00 0.00 N ATOM 373 CA THR A 25 -2.200 -2.535 -6.784 1.00 0.00 C ATOM 374 C THR A 25 -0.765 -2.536 -7.328 1.00 0.00 C ATOM 375 O THR A 25 0.156 -3.029 -6.670 1.00 0.00 O ATOM 376 CB THR A 25 -2.964 -3.643 -7.529 1.00 0.00 C ATOM 377 OG1 THR A 25 -4.267 -3.828 -7.029 1.00 0.00 O ATOM 378 CG2 THR A 25 -2.240 -4.992 -7.521 1.00 0.00 C ATOM 0 H THR A 25 -3.745 -1.242 -7.400 1.00 0.00 H new ATOM 0 HA THR A 25 -2.192 -2.735 -5.713 1.00 0.00 H new ATOM 0 HB THR A 25 -3.018 -3.287 -8.558 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.787 -3.007 -7.158 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.834 -5.727 -8.064 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.267 -4.886 -8.001 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.102 -5.325 -6.492 1.00 0.00 H new ATOM 386 N GLU A 26 -0.556 -1.981 -8.528 1.00 0.00 N ATOM 387 CA GLU A 26 0.789 -1.924 -9.128 1.00 0.00 C ATOM 388 C GLU A 26 1.703 -1.020 -8.308 1.00 0.00 C ATOM 389 O GLU A 26 2.771 -1.455 -7.896 1.00 0.00 O ATOM 390 CB GLU A 26 0.760 -1.473 -10.598 1.00 0.00 C ATOM 391 CG GLU A 26 1.320 -2.570 -11.502 1.00 0.00 C ATOM 392 CD GLU A 26 1.705 -1.995 -12.858 1.00 0.00 C ATOM 393 OE1 GLU A 26 0.798 -1.751 -13.687 1.00 0.00 O ATOM 394 OE2 GLU A 26 2.917 -1.804 -13.098 1.00 0.00 O ATOM 0 H GLU A 26 -1.292 -1.568 -9.101 1.00 0.00 H new ATOM 0 HA GLU A 26 1.187 -2.939 -9.115 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.263 -1.237 -10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.345 -0.561 -10.717 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.191 -3.027 -11.033 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.578 -3.358 -11.631 1.00 0.00 H new ATOM 401 N PHE A 27 1.251 0.201 -8.022 1.00 0.00 N ATOM 402 CA PHE A 27 1.982 1.179 -7.207 1.00 0.00 C ATOM 403 C PHE A 27 2.456 0.620 -5.850 1.00 0.00 C ATOM 404 O PHE A 27 3.624 0.737 -5.501 1.00 0.00 O ATOM 405 CB PHE A 27 1.103 2.414 -6.977 1.00 0.00 C ATOM 406 CG PHE A 27 1.892 3.610 -6.494 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.649 4.324 -7.440 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.914 4.000 -5.135 1.00 0.00 C ATOM 409 CE1 PHE A 27 3.407 5.437 -7.046 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.619 5.158 -4.759 1.00 0.00 C ATOM 411 CZ PHE A 27 3.367 5.875 -5.712 1.00 0.00 C ATOM 0 H PHE A 27 0.351 0.547 -8.355 1.00 0.00 H new ATOM 0 HA PHE A 27 2.881 1.441 -7.765 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.594 2.671 -7.906 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.331 2.174 -6.246 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.647 4.014 -8.475 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.394 3.414 -4.392 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.020 5.956 -7.767 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.586 5.498 -3.735 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.910 6.761 -5.418 1.00 0.00 H new ATOM 421 N TYR A 28 1.536 -0.028 -5.131 1.00 0.00 N ATOM 422 CA TYR A 28 1.800 -0.742 -3.873 1.00 0.00 C ATOM 423 C TYR A 28 3.031 -1.650 -4.002 1.00 0.00 C ATOM 424 O TYR A 28 4.020 -1.438 -3.301 1.00 0.00 O ATOM 425 CB TYR A 28 0.544 -1.490 -3.396 1.00 0.00 C ATOM 426 CG TYR A 28 0.666 -2.947 -2.973 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.458 -3.312 -1.873 1.00 0.00 C ATOM 428 CD2 TYR A 28 -0.021 -3.951 -3.685 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.655 -4.673 -1.582 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.173 -5.308 -3.379 1.00 0.00 C ATOM 431 CZ TYR A 28 1.046 -5.670 -2.349 1.00 0.00 C ATOM 432 OH TYR A 28 1.282 -6.976 -2.056 1.00 0.00 O ATOM 0 H TYR A 28 0.557 -0.073 -5.414 1.00 0.00 H new ATOM 0 HA TYR A 28 2.039 -0.013 -3.099 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.132 -0.936 -2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.192 -1.441 -4.199 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.913 -2.552 -1.255 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.704 -3.674 -4.474 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.287 -4.953 -0.752 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.351 -6.069 -3.938 1.00 0.00 H new ATOM 0 HH TYR A 28 1.457 -7.069 -1.096 1.00 0.00 H new ATOM 442 N GLU A 29 3.002 -2.594 -4.953 1.00 0.00 N ATOM 443 CA GLU A 29 4.113 -3.525 -5.231 1.00 0.00 C ATOM 444 C GLU A 29 5.412 -2.847 -5.704 1.00 0.00 C ATOM 445 O GLU A 29 6.501 -3.252 -5.298 1.00 0.00 O ATOM 446 CB GLU A 29 3.665 -4.583 -6.256 1.00 0.00 C ATOM 447 CG GLU A 29 3.361 -5.954 -5.635 1.00 0.00 C ATOM 448 CD GLU A 29 4.093 -7.041 -6.410 1.00 0.00 C ATOM 449 OE1 GLU A 29 3.683 -7.328 -7.554 1.00 0.00 O ATOM 450 OE2 GLU A 29 5.063 -7.616 -5.864 1.00 0.00 O ATOM 0 H GLU A 29 2.196 -2.737 -5.561 1.00 0.00 H new ATOM 0 HA GLU A 29 4.356 -3.992 -4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.775 -4.222 -6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.445 -4.700 -7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.671 -5.968 -4.590 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.287 -6.142 -5.652 1.00 0.00 H new ATOM 457 N ASN A 30 5.319 -1.798 -6.525 1.00 0.00 N ATOM 458 CA ASN A 30 6.455 -1.018 -7.059 1.00 0.00 C ATOM 459 C ASN A 30 7.103 -0.010 -6.072 1.00 0.00 C ATOM 460 O ASN A 30 8.186 0.518 -6.340 1.00 0.00 O ATOM 461 CB ASN A 30 6.001 -0.252 -8.319 1.00 0.00 C ATOM 462 CG ASN A 30 6.663 -0.814 -9.562 1.00 0.00 C ATOM 463 OD1 ASN A 30 6.184 -1.755 -10.183 1.00 0.00 O ATOM 464 ND2 ASN A 30 7.800 -0.265 -9.943 1.00 0.00 N ATOM 0 H ASN A 30 4.418 -1.449 -6.853 1.00 0.00 H new ATOM 0 HA ASN A 30 7.227 -1.757 -7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.917 -0.317 -8.418 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.249 0.804 -8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.290 -0.624 -10.763 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.189 0.518 -9.418 1.00 0.00 H new ATOM 471 N ASP A 31 6.439 0.221 -4.941 1.00 0.00 N ATOM 472 CA ASP A 31 6.948 1.039 -3.826 1.00 0.00 C ATOM 473 C ASP A 31 7.607 0.151 -2.766 1.00 0.00 C ATOM 474 O ASP A 31 8.694 0.477 -2.298 1.00 0.00 O ATOM 475 CB ASP A 31 5.806 1.880 -3.211 1.00 0.00 C ATOM 476 CG ASP A 31 5.588 3.252 -3.896 1.00 0.00 C ATOM 477 OD1 ASP A 31 5.758 3.383 -5.130 1.00 0.00 O ATOM 478 OD2 ASP A 31 5.287 4.225 -3.156 1.00 0.00 O ATOM 0 H ASP A 31 5.510 -0.161 -4.764 1.00 0.00 H new ATOM 0 HA ASP A 31 7.705 1.722 -4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.879 1.308 -3.265 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.019 2.044 -2.155 1.00 0.00 H new ATOM 483 N VAL A 32 6.909 -0.968 -2.525 1.00 0.00 N ATOM 484 CA VAL A 32 7.106 -2.009 -1.474 1.00 0.00 C ATOM 485 C VAL A 32 5.916 -2.963 -1.166 1.00 0.00 C ATOM 486 O VAL A 32 5.424 -3.667 -2.044 1.00 0.00 O ATOM 487 CB VAL A 32 7.619 -1.321 -0.177 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.500 -0.400 0.378 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.315 -2.267 0.814 1.00 0.00 C ATOM 0 H VAL A 32 6.109 -1.202 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 32 7.841 -2.692 -1.899 1.00 0.00 H new ATOM 0 HB VAL A 32 8.459 -0.668 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.849 0.088 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.249 0.356 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.616 -0.996 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.640 -1.703 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.619 -3.046 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.181 -2.724 0.334 1.00 0.00 H new ATOM 499 N THR A 33 5.511 -3.050 0.111 1.00 0.00 N ATOM 500 CA THR A 33 4.580 -3.998 0.699 1.00 0.00 C ATOM 501 C THR A 33 3.386 -3.391 1.438 1.00 0.00 C ATOM 502 O THR A 33 2.312 -3.975 1.344 1.00 0.00 O ATOM 503 CB THR A 33 5.305 -4.783 1.801 1.00 0.00 C ATOM 504 OG1 THR A 33 5.949 -3.910 2.709 1.00 0.00 O ATOM 505 CG2 THR A 33 6.364 -5.737 1.251 1.00 0.00 C ATOM 0 H THR A 33 5.864 -2.397 0.811 1.00 0.00 H new ATOM 0 HA THR A 33 4.224 -4.575 -0.155 1.00 0.00 H new ATOM 0 HB THR A 33 4.529 -5.362 2.302 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.402 -4.435 3.402 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.843 -6.264 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.892 -6.459 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.114 -5.170 0.699 1.00 0.00 H new ATOM 513 N TYR A 34 3.470 -2.305 2.223 1.00 0.00 N ATOM 514 CA TYR A 34 2.345 -1.639 2.913 1.00 0.00 C ATOM 515 C TYR A 34 2.874 -0.454 3.778 1.00 0.00 C ATOM 516 O TYR A 34 2.710 0.716 3.437 1.00 0.00 O ATOM 517 CB TYR A 34 1.503 -2.572 3.782 1.00 0.00 C ATOM 518 CG TYR A 34 0.578 -1.804 4.700 1.00 0.00 C ATOM 519 CD1 TYR A 34 -0.521 -1.096 4.181 1.00 0.00 C ATOM 520 CD2 TYR A 34 0.864 -1.742 6.071 1.00 0.00 C ATOM 521 CE1 TYR A 34 -1.388 -0.408 5.050 1.00 0.00 C ATOM 522 CE2 TYR A 34 0.003 -1.044 6.940 1.00 0.00 C ATOM 523 CZ TYR A 34 -1.132 -0.391 6.430 1.00 0.00 C ATOM 524 OH TYR A 34 -1.980 0.253 7.280 1.00 0.00 O ATOM 0 H TYR A 34 4.362 -1.844 2.404 1.00 0.00 H new ATOM 0 HA TYR A 34 1.685 -1.277 2.124 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.916 -3.232 3.143 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.160 -3.206 4.377 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.699 -1.080 3.116 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.745 -2.230 6.461 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.251 0.107 4.655 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.215 -1.011 7.998 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.652 0.164 8.199 1.00 0.00 H new ATOM 534 N GLU A 35 3.591 -0.776 4.864 1.00 0.00 N ATOM 535 CA GLU A 35 4.081 0.213 5.865 1.00 0.00 C ATOM 536 C GLU A 35 5.194 1.099 5.319 1.00 0.00 C ATOM 537 O GLU A 35 5.219 2.303 5.568 1.00 0.00 O ATOM 538 CB GLU A 35 4.551 -0.452 7.171 1.00 0.00 C ATOM 539 CG GLU A 35 3.462 -0.468 8.249 1.00 0.00 C ATOM 540 CD GLU A 35 3.725 0.584 9.321 1.00 0.00 C ATOM 541 OE1 GLU A 35 4.531 0.306 10.238 1.00 0.00 O ATOM 542 OE2 GLU A 35 3.106 1.669 9.263 1.00 0.00 O ATOM 0 H GLU A 35 3.855 -1.736 5.084 1.00 0.00 H new ATOM 0 HA GLU A 35 3.218 0.841 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.865 -1.475 6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.425 0.078 7.550 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.490 -0.286 7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.418 -1.455 8.709 1.00 0.00 H new ATOM 549 N ARG A 36 6.080 0.518 4.511 1.00 0.00 N ATOM 550 CA ARG A 36 7.126 1.272 3.817 1.00 0.00 C ATOM 551 C ARG A 36 6.551 2.324 2.839 1.00 0.00 C ATOM 552 O ARG A 36 7.020 3.463 2.848 1.00 0.00 O ATOM 553 CB ARG A 36 8.093 0.301 3.111 1.00 0.00 C ATOM 554 CG ARG A 36 9.469 0.147 3.780 1.00 0.00 C ATOM 555 CD ARG A 36 10.615 0.250 2.756 1.00 0.00 C ATOM 556 NE ARG A 36 11.827 0.812 3.374 1.00 0.00 N ATOM 557 CZ ARG A 36 12.171 2.090 3.416 1.00 0.00 C ATOM 558 NH1 ARG A 36 11.440 3.034 2.883 1.00 0.00 N ATOM 559 NH2 ARG A 36 13.272 2.449 4.012 1.00 0.00 N ATOM 0 H ARG A 36 6.094 -0.484 4.319 1.00 0.00 H new ATOM 0 HA ARG A 36 7.683 1.836 4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.622 -0.680 3.056 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.241 0.642 2.086 1.00 0.00 H new ATOM 0 HG2 ARG A 36 9.591 0.917 4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.521 -0.816 4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.834 -0.738 2.350 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.305 0.877 1.920 1.00 0.00 H new ATOM 0 HE ARG A 36 12.466 0.150 3.814 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.567 2.798 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.743 4.006 2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.869 1.746 4.446 1.00 0.00 H new ATOM 0 HH22 ARG A 36 13.537 3.433 4.044 1.00 0.00 H new ATOM 573 N TYR A 37 5.532 2.001 2.021 1.00 0.00 N ATOM 574 CA TYR A 37 4.960 2.984 1.092 1.00 0.00 C ATOM 575 C TYR A 37 4.175 4.042 1.860 1.00 0.00 C ATOM 576 O TYR A 37 4.270 5.205 1.506 1.00 0.00 O ATOM 577 CB TYR A 37 4.103 2.380 -0.038 1.00 0.00 C ATOM 578 CG TYR A 37 2.619 2.237 0.236 1.00 0.00 C ATOM 579 CD1 TYR A 37 1.784 3.376 0.277 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.080 0.972 0.518 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.452 3.262 0.692 1.00 0.00 C ATOM 582 CE2 TYR A 37 0.740 0.870 0.929 1.00 0.00 C ATOM 583 CZ TYR A 37 -0.065 2.009 1.014 1.00 0.00 C ATOM 584 OH TYR A 37 -1.356 1.904 1.404 1.00 0.00 O ATOM 0 H TYR A 37 5.095 1.080 1.986 1.00 0.00 H new ATOM 0 HA TYR A 37 5.811 3.443 0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.227 2.999 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.501 1.394 -0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.176 4.340 -0.013 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.689 0.086 0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.172 4.141 0.762 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.329 -0.096 1.181 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.773 2.791 1.396 1.00 0.00 H new ATOM 594 N LEU A 38 3.438 3.665 2.911 1.00 0.00 N ATOM 595 CA LEU A 38 2.723 4.616 3.772 1.00 0.00 C ATOM 596 C LEU A 38 3.651 5.755 4.225 1.00 0.00 C ATOM 597 O LEU A 38 3.271 6.924 4.151 1.00 0.00 O ATOM 598 CB LEU A 38 2.084 3.841 4.947 1.00 0.00 C ATOM 599 CG LEU A 38 1.660 4.638 6.210 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.718 3.776 7.059 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.825 5.050 7.122 1.00 0.00 C ATOM 0 H LEU A 38 3.320 2.691 3.189 1.00 0.00 H new ATOM 0 HA LEU A 38 1.920 5.100 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.201 3.328 4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.789 3.072 5.261 1.00 0.00 H new ATOM 0 HG LEU A 38 1.190 5.547 5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.418 4.332 7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.166 3.520 6.475 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.232 2.863 7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.439 5.602 7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.348 4.159 7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.517 5.682 6.565 1.00 0.00 H new ATOM 613 N GLU A 39 4.878 5.416 4.642 1.00 0.00 N ATOM 614 CA GLU A 39 5.898 6.390 5.078 1.00 0.00 C ATOM 615 C GLU A 39 6.367 7.296 3.938 1.00 0.00 C ATOM 616 O GLU A 39 6.479 8.508 4.119 1.00 0.00 O ATOM 617 CB GLU A 39 7.100 5.674 5.726 1.00 0.00 C ATOM 618 CG GLU A 39 7.210 6.036 7.204 1.00 0.00 C ATOM 619 CD GLU A 39 8.434 5.372 7.820 1.00 0.00 C ATOM 620 OE1 GLU A 39 8.314 4.227 8.312 1.00 0.00 O ATOM 621 OE2 GLU A 39 9.513 6.007 7.827 1.00 0.00 O ATOM 0 H GLU A 39 5.198 4.449 4.688 1.00 0.00 H new ATOM 0 HA GLU A 39 5.423 7.029 5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.989 4.595 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.018 5.953 5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.279 7.118 7.316 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.311 5.718 7.731 1.00 0.00 H new ATOM 628 N ILE A 40 6.583 6.727 2.751 1.00 0.00 N ATOM 629 CA ILE A 40 7.006 7.459 1.545 1.00 0.00 C ATOM 630 C ILE A 40 5.897 8.402 1.012 1.00 0.00 C ATOM 631 O ILE A 40 6.157 9.583 0.797 1.00 0.00 O ATOM 632 CB ILE A 40 7.507 6.456 0.475 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.762 5.682 0.957 1.00 0.00 C ATOM 634 CG2 ILE A 40 7.823 7.192 -0.843 1.00 0.00 C ATOM 635 CD1 ILE A 40 9.005 4.381 0.171 1.00 0.00 C ATOM 0 H ILE A 40 6.468 5.726 2.593 1.00 0.00 H new ATOM 0 HA ILE A 40 7.836 8.114 1.808 1.00 0.00 H new ATOM 0 HB ILE A 40 6.709 5.733 0.306 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.637 6.325 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.652 5.445 2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.174 6.475 -1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.922 7.683 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.597 7.939 -0.666 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.897 3.885 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.145 3.721 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.145 4.614 -0.884 1.00 0.00 H new ATOM 647 N LEU A 41 4.652 7.934 0.868 1.00 0.00 N ATOM 648 CA LEU A 41 3.462 8.699 0.455 1.00 0.00 C ATOM 649 C LEU A 41 3.144 9.857 1.414 1.00 0.00 C ATOM 650 O LEU A 41 2.896 10.979 0.981 1.00 0.00 O ATOM 651 CB LEU A 41 2.224 7.768 0.382 1.00 0.00 C ATOM 652 CG LEU A 41 1.871 7.165 -0.991 1.00 0.00 C ATOM 653 CD1 LEU A 41 0.511 6.464 -0.905 1.00 0.00 C ATOM 654 CD2 LEU A 41 1.760 8.232 -2.084 1.00 0.00 C ATOM 0 H LEU A 41 4.431 6.954 1.046 1.00 0.00 H new ATOM 0 HA LEU A 41 3.688 9.118 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.379 6.946 1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.359 8.329 0.736 1.00 0.00 H new ATOM 0 HG LEU A 41 2.673 6.473 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.260 6.037 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.558 5.670 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.253 7.186 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.510 7.757 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.980 8.945 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.712 8.755 -2.180 1.00 0.00 H new ATOM 666 N LYS A 42 3.182 9.580 2.714 1.00 0.00 N ATOM 667 CA LYS A 42 3.025 10.600 3.757 1.00 0.00 C ATOM 668 C LYS A 42 4.100 11.711 3.638 1.00 0.00 C ATOM 669 O LYS A 42 3.797 12.893 3.800 1.00 0.00 O ATOM 670 CB LYS A 42 2.980 9.909 5.128 1.00 0.00 C ATOM 671 CG LYS A 42 2.651 10.837 6.310 1.00 0.00 C ATOM 672 CD LYS A 42 3.871 11.627 6.819 1.00 0.00 C ATOM 673 CE LYS A 42 4.014 11.498 8.339 1.00 0.00 C ATOM 674 NZ LYS A 42 5.331 11.978 8.808 1.00 0.00 N ATOM 0 H LYS A 42 3.323 8.638 3.080 1.00 0.00 H new ATOM 0 HA LYS A 42 2.079 11.126 3.628 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.237 9.112 5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.945 9.437 5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.873 11.538 6.008 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.244 10.242 7.128 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.775 11.260 6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.767 12.678 6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.224 12.068 8.828 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.882 10.456 8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.390 11.875 9.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.084 11.418 8.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.446 12.980 8.553 1.00 0.00 H new ATOM 688 N SER A 43 5.336 11.353 3.264 1.00 0.00 N ATOM 689 CA SER A 43 6.404 12.305 2.892 1.00 0.00 C ATOM 690 C SER A 43 6.225 12.968 1.501 1.00 0.00 C ATOM 691 O SER A 43 6.831 14.009 1.235 1.00 0.00 O ATOM 692 CB SER A 43 7.768 11.588 2.921 1.00 0.00 C ATOM 693 OG SER A 43 8.500 11.921 4.091 1.00 0.00 O ATOM 0 H SER A 43 5.632 10.378 3.209 1.00 0.00 H new ATOM 0 HA SER A 43 6.349 13.107 3.628 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.615 10.510 2.879 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.345 11.863 2.038 1.00 0.00 H new ATOM 0 HG SER A 43 9.360 11.451 4.084 1.00 0.00 H new ATOM 699 N LYS A 44 5.410 12.387 0.615 1.00 0.00 N ATOM 700 CA LYS A 44 5.178 12.878 -0.749 1.00 0.00 C ATOM 701 C LYS A 44 4.112 13.997 -0.774 1.00 0.00 C ATOM 702 O LYS A 44 4.406 15.120 -1.189 1.00 0.00 O ATOM 703 CB LYS A 44 4.783 11.700 -1.669 1.00 0.00 C ATOM 704 CG LYS A 44 5.123 11.976 -3.146 1.00 0.00 C ATOM 705 CD LYS A 44 3.939 11.733 -4.093 1.00 0.00 C ATOM 706 CE LYS A 44 4.392 11.977 -5.540 1.00 0.00 C ATOM 707 NZ LYS A 44 3.259 12.283 -6.440 1.00 0.00 N ATOM 0 H LYS A 44 4.880 11.542 0.830 1.00 0.00 H new ATOM 0 HA LYS A 44 6.104 13.316 -1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.298 10.797 -1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.714 11.509 -1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.457 13.009 -3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.956 11.340 -3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.572 10.713 -3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.113 12.398 -3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.103 12.803 -5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.917 11.095 -5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.615 12.440 -7.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.592 11.485 -6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.773 13.140 -6.107 1.00 0.00 H new ATOM 721 N GLN A 45 2.897 13.699 -0.287 1.00 0.00 N ATOM 722 CA GLN A 45 1.799 14.650 -0.014 1.00 0.00 C ATOM 723 C GLN A 45 0.622 13.989 0.738 1.00 0.00 C ATOM 724 O GLN A 45 0.192 14.501 1.770 1.00 0.00 O ATOM 725 CB GLN A 45 1.253 15.267 -1.320 1.00 0.00 C ATOM 726 CG GLN A 45 0.280 16.424 -1.051 1.00 0.00 C ATOM 727 CD GLN A 45 -0.323 16.957 -2.334 1.00 0.00 C ATOM 728 OE1 GLN A 45 -0.911 16.225 -3.119 1.00 0.00 O ATOM 729 NE2 GLN A 45 -0.210 18.245 -2.586 1.00 0.00 N ATOM 0 H GLN A 45 2.637 12.739 -0.060 1.00 0.00 H new ATOM 0 HA GLN A 45 2.230 15.428 0.616 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.085 15.627 -1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.747 14.496 -1.900 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.516 16.084 -0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.804 17.228 -0.534 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.281 18.852 -1.929 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.613 18.635 -3.438 1.00 0.00 H new ATOM 738 N LYS A 46 0.121 12.852 0.227 1.00 0.00 N ATOM 739 CA LYS A 46 -1.092 12.134 0.671 1.00 0.00 C ATOM 740 C LYS A 46 -2.361 13.021 0.831 1.00 0.00 C ATOM 741 O LYS A 46 -2.623 13.570 1.907 1.00 0.00 O ATOM 742 CB LYS A 46 -0.760 11.310 1.929 1.00 0.00 C ATOM 743 CG LYS A 46 -1.824 10.247 2.256 1.00 0.00 C ATOM 744 CD LYS A 46 -1.517 9.556 3.599 1.00 0.00 C ATOM 745 CE LYS A 46 -2.380 10.139 4.730 1.00 0.00 C ATOM 746 NZ LYS A 46 -1.807 9.881 6.069 1.00 0.00 N ATOM 0 H LYS A 46 0.577 12.379 -0.553 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.379 11.457 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.204 10.820 1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.655 11.984 2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.808 10.713 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.858 9.504 1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.701 8.485 3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.462 9.679 3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.486 11.214 4.585 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.381 9.710 4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.425 10.294 6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.729 8.855 6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.863 10.313 6.132 1.00 0.00 H new ATOM 760 N GLU A 47 -3.151 13.160 -0.250 1.00 0.00 N ATOM 761 CA GLU A 47 -4.435 13.907 -0.284 1.00 0.00 C ATOM 762 C GLU A 47 -5.451 13.378 0.741 1.00 0.00 C ATOM 763 O GLU A 47 -5.757 12.168 0.715 1.00 0.00 O ATOM 764 CB GLU A 47 -5.056 13.901 -1.694 1.00 0.00 C ATOM 765 CG GLU A 47 -6.089 15.021 -1.863 1.00 0.00 C ATOM 766 CD GLU A 47 -6.988 14.775 -3.068 1.00 0.00 C ATOM 767 OE1 GLU A 47 -6.484 14.823 -4.214 1.00 0.00 O ATOM 768 OE2 GLU A 47 -8.203 14.556 -2.868 1.00 0.00 O ATOM 769 OXT GLU A 47 -5.934 14.187 1.565 1.00 0.00 O ATOM 0 H GLU A 47 -2.913 12.747 -1.152 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.194 14.934 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.269 14.017 -2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.531 12.937 -1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.698 15.094 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.576 15.976 -1.979 1.00 0.00 H new TER 776 GLU A 47