USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 435 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 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0375) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.24) USER MOD Single : A 18 ASN : amide:sc= 0.828 K(o=0.83,f=-0.028) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.11) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.722 K(o=0.72,f=-0.03) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00273 USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00645) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 179:sc= -0.492 (180deg=-0.494) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.752 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.256 11.501 -5.128 1.00 0.00 N ATOM 35 CA LEU A 3 -9.229 11.901 -6.087 1.00 0.00 C ATOM 36 C LEU A 3 -9.543 11.473 -7.529 1.00 0.00 C ATOM 37 O LEU A 3 -10.578 10.865 -7.821 1.00 0.00 O ATOM 38 CB LEU A 3 -7.876 11.364 -5.575 1.00 0.00 C ATOM 39 CG LEU A 3 -7.385 12.049 -4.284 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.958 11.609 -3.966 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.362 13.569 -4.424 1.00 0.00 C ATOM 0 HA LEU A 3 -9.192 12.989 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.965 10.293 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.125 11.496 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.077 11.760 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.621 12.099 -3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.933 10.528 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.300 11.886 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.010 14.015 -3.494 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.692 13.849 -5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.367 13.930 -4.642 1.00 0.00 H new ATOM 52 N THR A 4 -8.647 11.860 -8.440 1.00 0.00 N ATOM 53 CA THR A 4 -8.719 11.603 -9.892 1.00 0.00 C ATOM 54 C THR A 4 -8.418 10.136 -10.248 1.00 0.00 C ATOM 55 O THR A 4 -8.420 9.253 -9.384 1.00 0.00 O ATOM 56 CB THR A 4 -7.791 12.558 -10.667 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.443 12.261 -10.389 1.00 0.00 O ATOM 58 CG2 THR A 4 -8.043 14.031 -10.348 1.00 0.00 C ATOM 0 H THR A 4 -7.812 12.385 -8.181 1.00 0.00 H new ATOM 0 HA THR A 4 -9.748 11.796 -10.195 1.00 0.00 H new ATOM 0 HB THR A 4 -8.012 12.403 -11.723 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.863 12.873 -10.889 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.357 14.651 -10.926 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.070 14.289 -10.606 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.881 14.206 -9.284 1.00 0.00 H new ATOM 66 N GLN A 5 -8.138 9.854 -11.528 1.00 0.00 N ATOM 67 CA GLN A 5 -7.625 8.572 -12.024 1.00 0.00 C ATOM 68 C GLN A 5 -6.415 8.022 -11.241 1.00 0.00 C ATOM 69 O GLN A 5 -6.213 6.804 -11.208 1.00 0.00 O ATOM 70 CB GLN A 5 -7.298 8.730 -13.517 1.00 0.00 C ATOM 71 CG GLN A 5 -6.111 9.667 -13.813 1.00 0.00 C ATOM 72 CD GLN A 5 -5.991 9.999 -15.300 1.00 0.00 C ATOM 73 OE1 GLN A 5 -6.009 11.153 -15.715 1.00 0.00 O ATOM 74 NE2 GLN A 5 -5.862 9.010 -16.161 1.00 0.00 N ATOM 0 H GLN A 5 -8.268 10.539 -12.273 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.405 7.825 -11.872 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.082 7.747 -13.935 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.181 9.108 -14.032 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.229 10.590 -13.245 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.188 9.199 -13.472 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.845 8.045 -15.831 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -5.779 9.209 -17.158 1.00 0.00 H new ATOM 81 N GLY A 6 -5.635 8.889 -10.580 1.00 0.00 N ATOM 82 CA GLY A 6 -4.601 8.470 -9.642 1.00 0.00 C ATOM 83 C GLY A 6 -3.810 9.614 -9.020 1.00 0.00 C ATOM 84 O GLY A 6 -2.584 9.558 -9.037 1.00 0.00 O ATOM 0 H GLY A 6 -5.709 9.901 -10.686 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.065 7.890 -8.844 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.909 7.805 -10.158 1.00 0.00 H new ATOM 88 N GLU A 7 -4.455 10.638 -8.448 1.00 0.00 N ATOM 89 CA GLU A 7 -3.787 11.819 -7.886 1.00 0.00 C ATOM 90 C GLU A 7 -2.891 11.512 -6.676 1.00 0.00 C ATOM 91 O GLU A 7 -2.035 12.317 -6.327 1.00 0.00 O ATOM 92 CB GLU A 7 -4.829 12.907 -7.547 1.00 0.00 C ATOM 93 CG GLU A 7 -4.509 14.156 -8.379 1.00 0.00 C ATOM 94 CD GLU A 7 -5.426 15.370 -8.143 1.00 0.00 C ATOM 95 OE1 GLU A 7 -5.928 15.577 -7.012 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.608 16.174 -9.093 1.00 0.00 O ATOM 0 H GLU A 7 -5.471 10.670 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.112 12.189 -8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.835 12.551 -7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.800 13.142 -6.483 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.481 14.455 -8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.556 13.888 -9.435 1.00 0.00 H new ATOM 101 N LEU A 8 -3.018 10.322 -6.089 1.00 0.00 N ATOM 102 CA LEU A 8 -2.074 9.775 -5.110 1.00 0.00 C ATOM 103 C LEU A 8 -1.193 8.644 -5.684 1.00 0.00 C ATOM 104 O LEU A 8 -0.122 8.370 -5.152 1.00 0.00 O ATOM 105 CB LEU A 8 -2.864 9.385 -3.847 1.00 0.00 C ATOM 106 CG LEU A 8 -3.685 8.081 -3.968 1.00 0.00 C ATOM 107 CD1 LEU A 8 -2.939 6.948 -3.256 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.074 8.173 -3.339 1.00 0.00 C ATOM 0 H LEU A 8 -3.799 9.695 -6.285 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.344 10.537 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.165 9.281 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.541 10.201 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.807 7.897 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.514 6.026 -3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.962 6.809 -3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.810 7.202 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.593 7.222 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.978 8.400 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.644 8.963 -3.829 1.00 0.00 H new ATOM 119 N MET A 9 -1.596 8.016 -6.796 1.00 0.00 N ATOM 120 CA MET A 9 -0.943 6.861 -7.429 1.00 0.00 C ATOM 121 C MET A 9 0.360 7.270 -8.114 1.00 0.00 C ATOM 122 O MET A 9 1.435 6.769 -7.789 1.00 0.00 O ATOM 123 CB MET A 9 -1.941 6.164 -8.391 1.00 0.00 C ATOM 124 CG MET A 9 -1.400 5.753 -9.760 1.00 0.00 C ATOM 125 SD MET A 9 -2.493 4.667 -10.718 1.00 0.00 S ATOM 126 CE MET A 9 -1.459 4.407 -12.189 1.00 0.00 C ATOM 0 H MET A 9 -2.428 8.314 -7.305 1.00 0.00 H new ATOM 0 HA MET A 9 -0.662 6.137 -6.664 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.326 5.273 -7.895 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.788 6.833 -8.546 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.205 6.653 -10.343 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.443 5.250 -9.620 1.00 0.00 H new ATOM 0 HE1 MET A 9 -1.981 3.756 -12.890 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.257 5.366 -12.666 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.518 3.942 -11.895 1.00 0.00 H new ATOM 134 N LYS A 10 0.278 8.209 -9.055 1.00 0.00 N ATOM 135 CA LYS A 10 1.400 8.644 -9.906 1.00 0.00 C ATOM 136 C LYS A 10 2.385 9.580 -9.175 1.00 0.00 C ATOM 137 O LYS A 10 3.184 10.270 -9.806 1.00 0.00 O ATOM 138 CB LYS A 10 0.806 9.189 -11.225 1.00 0.00 C ATOM 139 CG LYS A 10 -0.128 10.403 -11.059 1.00 0.00 C ATOM 140 CD LYS A 10 -1.329 10.388 -12.018 1.00 0.00 C ATOM 141 CE LYS A 10 -2.172 11.667 -11.907 1.00 0.00 C ATOM 142 NZ LYS A 10 -1.469 12.858 -12.453 1.00 0.00 N ATOM 0 H LYS A 10 -0.590 8.705 -9.257 1.00 0.00 H new ATOM 0 HA LYS A 10 2.044 7.801 -10.157 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.625 9.466 -11.889 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.254 8.388 -11.717 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.493 10.433 -10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.444 11.317 -11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.973 10.276 -13.042 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.955 9.522 -11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.112 11.527 -12.441 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.423 11.844 -10.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.119 13.670 -12.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.648 13.081 -11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.148 12.658 -13.422 1.00 0.00 H new ATOM 152 N LEU A 11 2.297 9.612 -7.838 1.00 0.00 N ATOM 153 CA LEU A 11 2.950 10.509 -6.884 1.00 0.00 C ATOM 154 C LEU A 11 3.698 9.717 -5.817 1.00 0.00 C ATOM 155 O LEU A 11 4.820 10.089 -5.476 1.00 0.00 O ATOM 156 CB LEU A 11 1.918 11.415 -6.172 1.00 0.00 C ATOM 157 CG LEU A 11 1.234 12.514 -6.999 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.258 13.455 -7.626 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.365 11.944 -8.112 1.00 0.00 C ATOM 0 H LEU A 11 1.705 8.939 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 11 3.648 11.122 -7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.139 10.774 -5.759 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.418 11.893 -5.329 1.00 0.00 H new ATOM 0 HG LEU A 11 0.602 13.062 -6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.742 14.221 -8.205 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.846 13.929 -6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.919 12.889 -8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.096 12.760 -8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.981 11.349 -8.786 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.413 11.314 -7.680 1.00 0.00 H new ATOM 170 N ILE A 12 3.123 8.614 -5.308 1.00 0.00 N ATOM 171 CA ILE A 12 3.790 7.838 -4.247 1.00 0.00 C ATOM 172 C ILE A 12 5.134 7.278 -4.726 1.00 0.00 C ATOM 173 O ILE A 12 6.123 7.310 -3.991 1.00 0.00 O ATOM 174 CB ILE A 12 2.900 6.709 -3.695 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.174 5.885 -4.781 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.870 7.271 -2.709 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.101 4.413 -4.375 1.00 0.00 C ATOM 0 H ILE A 12 2.219 8.246 -5.605 1.00 0.00 H new ATOM 0 HA ILE A 12 3.977 8.533 -3.428 1.00 0.00 H new ATOM 0 HB ILE A 12 3.582 6.025 -3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.168 6.277 -4.932 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.700 5.981 -5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.250 6.459 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.386 7.753 -1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.240 8.001 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.586 3.847 -5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.110 4.020 -4.248 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.555 4.321 -3.436 1.00 0.00 H new ATOM 188 N LYS A 13 5.209 6.844 -5.988 1.00 0.00 N ATOM 189 CA LYS A 13 6.461 6.324 -6.577 1.00 0.00 C ATOM 190 C LYS A 13 7.404 7.425 -7.070 1.00 0.00 C ATOM 191 O LYS A 13 8.590 7.197 -7.273 1.00 0.00 O ATOM 192 CB LYS A 13 6.134 5.280 -7.658 1.00 0.00 C ATOM 193 CG LYS A 13 5.279 5.764 -8.844 1.00 0.00 C ATOM 194 CD LYS A 13 6.076 6.411 -9.987 1.00 0.00 C ATOM 195 CE LYS A 13 5.125 6.811 -11.120 1.00 0.00 C ATOM 196 NZ LYS A 13 5.865 7.400 -12.263 1.00 0.00 N ATOM 0 H LYS A 13 4.416 6.840 -6.630 1.00 0.00 H new ATOM 0 HA LYS A 13 7.022 5.828 -5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.073 4.890 -8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.617 4.447 -7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.721 4.916 -9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.547 6.483 -8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.609 7.288 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.827 5.714 -10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.569 5.936 -11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.395 7.530 -10.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.220 7.520 -13.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.250 8.326 -11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.645 6.768 -12.534 1.00 0.00 H new ATOM 206 N GLU A 14 6.891 8.637 -7.233 1.00 0.00 N ATOM 207 CA GLU A 14 7.532 9.771 -7.906 1.00 0.00 C ATOM 208 C GLU A 14 8.188 10.737 -6.908 1.00 0.00 C ATOM 209 O GLU A 14 9.061 11.515 -7.293 1.00 0.00 O ATOM 210 CB GLU A 14 6.467 10.481 -8.763 1.00 0.00 C ATOM 211 CG GLU A 14 7.027 11.395 -9.865 1.00 0.00 C ATOM 212 CD GLU A 14 7.853 10.622 -10.911 1.00 0.00 C ATOM 213 OE1 GLU A 14 7.301 9.699 -11.560 1.00 0.00 O ATOM 214 OE2 GLU A 14 9.056 10.929 -11.097 1.00 0.00 O ATOM 0 H GLU A 14 5.964 8.874 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 14 8.339 9.407 -8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.831 9.726 -9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.831 11.075 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.202 11.905 -10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.651 12.165 -9.411 1.00 0.00 H new ATOM 219 N ILE A 15 7.832 10.639 -5.620 1.00 0.00 N ATOM 220 CA ILE A 15 8.527 11.291 -4.512 1.00 0.00 C ATOM 221 C ILE A 15 9.458 10.286 -3.836 1.00 0.00 C ATOM 222 O ILE A 15 10.612 10.616 -3.587 1.00 0.00 O ATOM 223 CB ILE A 15 7.542 11.953 -3.521 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.684 10.942 -2.727 1.00 0.00 C ATOM 225 CG2 ILE A 15 6.646 12.976 -4.245 1.00 0.00 C ATOM 226 CD1 ILE A 15 7.225 10.741 -1.308 1.00 0.00 C ATOM 0 H ILE A 15 7.030 10.088 -5.316 1.00 0.00 H new ATOM 0 HA ILE A 15 9.134 12.107 -4.905 1.00 0.00 H new ATOM 0 HB ILE A 15 8.158 12.469 -2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.654 11.296 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.668 9.986 -3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.960 13.430 -3.529 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.268 13.751 -4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.075 12.472 -5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.598 10.024 -0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.246 10.363 -1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.216 11.693 -0.777 1.00 0.00 H new ATOM 237 N VAL A 16 9.028 9.037 -3.591 1.00 0.00 N ATOM 238 CA VAL A 16 9.869 8.081 -2.860 1.00 0.00 C ATOM 239 C VAL A 16 11.092 7.673 -3.690 1.00 0.00 C ATOM 240 O VAL A 16 12.174 7.481 -3.130 1.00 0.00 O ATOM 241 CB VAL A 16 9.078 6.846 -2.388 1.00 0.00 C ATOM 242 CG1 VAL A 16 10.001 5.894 -1.622 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.945 7.222 -1.425 1.00 0.00 C ATOM 0 H VAL A 16 8.121 8.673 -3.883 1.00 0.00 H new ATOM 0 HA VAL A 16 10.222 8.591 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 16 8.666 6.382 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.433 5.024 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.813 5.572 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.414 6.408 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.414 6.321 -1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.362 7.714 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.252 7.899 -1.925 1.00 0.00 H new ATOM 253 N GLU A 17 10.976 7.621 -5.026 1.00 0.00 N ATOM 254 CA GLU A 17 12.148 7.350 -5.890 1.00 0.00 C ATOM 255 C GLU A 17 13.053 8.581 -6.076 1.00 0.00 C ATOM 256 O GLU A 17 14.118 8.491 -6.695 1.00 0.00 O ATOM 257 CB GLU A 17 11.725 6.808 -7.265 1.00 0.00 C ATOM 258 CG GLU A 17 11.105 5.404 -7.210 1.00 0.00 C ATOM 259 CD GLU A 17 12.153 4.343 -6.852 1.00 0.00 C ATOM 260 OE1 GLU A 17 12.953 3.935 -7.727 1.00 0.00 O ATOM 261 OE2 GLU A 17 12.188 3.893 -5.683 1.00 0.00 O ATOM 0 H GLU A 17 10.100 7.760 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 17 12.727 6.588 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.007 7.496 -7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.595 6.786 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.302 5.388 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.657 5.164 -8.174 1.00 0.00 H new ATOM 266 N ASN A 18 12.650 9.730 -5.527 1.00 0.00 N ATOM 267 CA ASN A 18 13.321 11.017 -5.658 1.00 0.00 C ATOM 268 C ASN A 18 14.072 11.424 -4.378 1.00 0.00 C ATOM 269 O ASN A 18 14.915 12.324 -4.433 1.00 0.00 O ATOM 270 CB ASN A 18 12.265 12.071 -6.050 1.00 0.00 C ATOM 271 CG ASN A 18 12.520 12.684 -7.418 1.00 0.00 C ATOM 272 OD1 ASN A 18 13.592 13.200 -7.714 1.00 0.00 O ATOM 273 ND2 ASN A 18 11.542 12.657 -8.293 1.00 0.00 N ATOM 0 H ASN A 18 11.808 9.786 -4.954 1.00 0.00 H new ATOM 0 HA ASN A 18 14.084 10.942 -6.433 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.278 11.609 -6.043 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.252 12.862 -5.300 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.674 13.065 -9.218 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.650 12.228 -8.048 1.00 0.00 H new ATOM 279 N GLU A 19 13.782 10.790 -3.231 1.00 0.00 N ATOM 280 CA GLU A 19 14.259 11.244 -1.923 1.00 0.00 C ATOM 281 C GLU A 19 15.458 10.430 -1.424 1.00 0.00 C ATOM 282 O GLU A 19 16.595 10.703 -1.818 1.00 0.00 O ATOM 283 CB GLU A 19 13.081 11.261 -0.935 1.00 0.00 C ATOM 284 CG GLU A 19 12.035 12.337 -1.253 1.00 0.00 C ATOM 285 CD GLU A 19 12.540 13.753 -0.926 1.00 0.00 C ATOM 286 OE1 GLU A 19 12.571 14.119 0.275 1.00 0.00 O ATOM 287 OE2 GLU A 19 12.903 14.513 -1.857 1.00 0.00 O ATOM 0 H GLU A 19 13.209 9.947 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 19 14.639 12.262 -2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.599 10.283 -0.939 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.464 11.423 0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.770 12.283 -2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.126 12.137 -0.685 1.00 0.00 H new ATOM 292 N ASP A 20 15.226 9.434 -0.568 1.00 0.00 N ATOM 293 CA ASP A 20 16.266 8.605 0.034 1.00 0.00 C ATOM 294 C ASP A 20 15.840 7.135 0.023 1.00 0.00 C ATOM 295 O ASP A 20 15.271 6.612 0.980 1.00 0.00 O ATOM 296 CB ASP A 20 16.616 9.095 1.448 1.00 0.00 C ATOM 297 CG ASP A 20 17.354 10.441 1.450 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.588 10.453 1.213 1.00 0.00 O ATOM 299 OD2 ASP A 20 16.721 11.489 1.725 1.00 0.00 O ATOM 0 H ASP A 20 14.286 9.177 -0.268 1.00 0.00 H new ATOM 0 HA ASP A 20 17.174 8.693 -0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.700 9.188 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 20 17.235 8.347 1.943 1.00 0.00 H new ATOM 303 N LYS A 21 16.146 6.441 -1.074 1.00 0.00 N ATOM 304 CA LYS A 21 15.919 4.992 -1.241 1.00 0.00 C ATOM 305 C LYS A 21 16.656 4.114 -0.208 1.00 0.00 C ATOM 306 O LYS A 21 16.267 2.964 0.001 1.00 0.00 O ATOM 307 CB LYS A 21 16.270 4.590 -2.684 1.00 0.00 C ATOM 308 CG LYS A 21 15.269 5.188 -3.695 1.00 0.00 C ATOM 309 CD LYS A 21 15.584 4.827 -5.154 1.00 0.00 C ATOM 310 CE LYS A 21 15.470 3.319 -5.411 1.00 0.00 C ATOM 311 NZ LYS A 21 15.473 3.017 -6.863 1.00 0.00 N ATOM 0 H LYS A 21 16.569 6.875 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 21 14.862 4.806 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.278 4.930 -2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.271 3.503 -2.770 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.266 4.839 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.263 6.273 -3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.900 5.360 -5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 21 16.592 5.162 -5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.300 2.802 -4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.553 2.940 -4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.633 1.999 -7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.556 3.284 -7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.232 3.556 -7.328 1.00 0.00 H new ATOM 321 N ARG A 22 17.675 4.650 0.485 1.00 0.00 N ATOM 322 CA ARG A 22 18.389 4.026 1.628 1.00 0.00 C ATOM 323 C ARG A 22 17.846 4.414 3.008 1.00 0.00 C ATOM 324 O ARG A 22 18.287 3.876 4.028 1.00 0.00 O ATOM 325 CB ARG A 22 19.902 4.296 1.509 1.00 0.00 C ATOM 326 CG ARG A 22 20.506 3.804 0.183 1.00 0.00 C ATOM 327 CD ARG A 22 20.066 2.369 -0.138 1.00 0.00 C ATOM 328 NE ARG A 22 20.725 1.854 -1.352 1.00 0.00 N ATOM 329 CZ ARG A 22 20.728 0.608 -1.794 1.00 0.00 C ATOM 330 NH1 ARG A 22 20.168 -0.372 -1.143 1.00 0.00 N ATOM 331 NH2 ARG A 22 21.306 0.316 -2.924 1.00 0.00 N ATOM 0 H ARG A 22 18.046 5.573 0.258 1.00 0.00 H new ATOM 0 HA ARG A 22 18.204 2.954 1.560 1.00 0.00 H new ATOM 0 HB2 ARG A 22 20.082 5.367 1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.417 3.809 2.337 1.00 0.00 H new ATOM 0 HG2 ARG A 22 20.201 4.468 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 22 21.594 3.848 0.239 1.00 0.00 H new ATOM 0 HD2 ARG A 22 20.299 1.720 0.706 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.985 2.341 -0.272 1.00 0.00 H new ATOM 0 HE ARG A 22 21.236 2.535 -1.914 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.702 -0.193 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.195 -1.318 -1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.758 1.049 -3.470 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.307 -0.646 -3.263 1.00 0.00 H new ATOM 342 N LYS A 23 16.846 5.294 3.028 1.00 0.00 N ATOM 343 CA LYS A 23 16.064 5.751 4.199 1.00 0.00 C ATOM 344 C LYS A 23 14.577 5.952 3.812 1.00 0.00 C ATOM 345 O LYS A 23 14.086 7.089 3.821 1.00 0.00 O ATOM 346 CB LYS A 23 16.690 7.042 4.784 1.00 0.00 C ATOM 347 CG LYS A 23 18.201 6.958 5.047 1.00 0.00 C ATOM 348 CD LYS A 23 18.757 8.291 5.561 1.00 0.00 C ATOM 349 CE LYS A 23 20.285 8.308 5.445 1.00 0.00 C ATOM 350 NZ LYS A 23 20.939 7.406 6.430 1.00 0.00 N ATOM 0 H LYS A 23 16.530 5.745 2.169 1.00 0.00 H new ATOM 0 HA LYS A 23 16.096 4.986 4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.500 7.866 4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 23 16.185 7.284 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 23 18.401 6.174 5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.716 6.678 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 23 18.332 9.115 4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.462 8.440 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 23 20.573 8.010 4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 23 20.646 9.326 5.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 21.971 7.453 6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 20.687 7.704 7.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 20.617 6.430 6.274 1.00 0.00 H new ATOM 360 N PRO A 24 13.856 4.882 3.421 1.00 0.00 N ATOM 361 CA PRO A 24 12.565 4.989 2.741 1.00 0.00 C ATOM 362 C PRO A 24 11.442 5.476 3.671 1.00 0.00 C ATOM 363 O PRO A 24 11.515 5.353 4.900 1.00 0.00 O ATOM 364 CB PRO A 24 12.282 3.573 2.219 1.00 0.00 C ATOM 365 CG PRO A 24 12.941 2.684 3.272 1.00 0.00 C ATOM 366 CD PRO A 24 14.195 3.481 3.620 1.00 0.00 C ATOM 0 HA PRO A 24 12.600 5.731 1.943 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.213 3.378 2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.711 3.414 1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.299 2.535 4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.181 1.696 2.879 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.499 3.297 4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.031 3.189 2.984 1.00 0.00 H new ATOM 371 N TYR A 25 10.364 5.982 3.069 1.00 0.00 N ATOM 372 CA TYR A 25 9.077 6.201 3.739 1.00 0.00 C ATOM 373 C TYR A 25 8.334 4.865 3.965 1.00 0.00 C ATOM 374 O TYR A 25 8.823 3.785 3.614 1.00 0.00 O ATOM 375 CB TYR A 25 8.223 7.199 2.931 1.00 0.00 C ATOM 376 CG TYR A 25 8.875 8.546 2.652 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.771 8.709 1.576 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.559 9.647 3.467 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.350 9.966 1.312 1.00 0.00 C ATOM 380 CE2 TYR A 25 9.155 10.898 3.230 1.00 0.00 C ATOM 381 CZ TYR A 25 10.051 11.064 2.155 1.00 0.00 C ATOM 382 OH TYR A 25 10.606 12.289 1.954 1.00 0.00 O ATOM 0 H TYR A 25 10.359 6.256 2.087 1.00 0.00 H new ATOM 0 HA TYR A 25 9.263 6.633 4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.961 6.738 1.979 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.291 7.371 3.469 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.015 7.864 0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.856 9.531 4.278 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.017 10.091 0.472 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.926 11.734 3.874 1.00 0.00 H new ATOM 0 HH TYR A 25 10.277 12.913 2.635 1.00 0.00 H new ATOM 391 N SER A 26 7.135 4.929 4.541 1.00 0.00 N ATOM 392 CA SER A 26 6.206 3.800 4.702 1.00 0.00 C ATOM 393 C SER A 26 4.770 4.276 4.510 1.00 0.00 C ATOM 394 O SER A 26 4.547 5.477 4.351 1.00 0.00 O ATOM 395 CB SER A 26 6.420 3.107 6.055 1.00 0.00 C ATOM 396 OG SER A 26 6.346 3.989 7.160 1.00 0.00 O ATOM 0 H SER A 26 6.765 5.799 4.924 1.00 0.00 H new ATOM 0 HA SER A 26 6.409 3.053 3.934 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.672 2.323 6.175 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.395 2.619 6.054 1.00 0.00 H new ATOM 0 HG SER A 26 6.489 3.487 7.989 1.00 0.00 H new ATOM 401 N ASP A 27 3.788 3.371 4.476 1.00 0.00 N ATOM 402 CA ASP A 27 2.397 3.726 4.173 1.00 0.00 C ATOM 403 C ASP A 27 1.797 4.825 5.076 1.00 0.00 C ATOM 404 O ASP A 27 1.046 5.668 4.587 1.00 0.00 O ATOM 405 CB ASP A 27 1.509 2.478 4.061 1.00 0.00 C ATOM 406 CG ASP A 27 1.411 1.579 5.312 1.00 0.00 C ATOM 407 OD1 ASP A 27 1.724 2.025 6.441 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.928 0.430 5.180 1.00 0.00 O ATOM 0 H ASP A 27 3.932 2.377 4.656 1.00 0.00 H new ATOM 0 HA ASP A 27 2.423 4.195 3.189 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.502 2.800 3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.879 1.871 3.235 1.00 0.00 H new ATOM 412 N GLN A 28 2.166 4.917 6.357 1.00 0.00 N ATOM 413 CA GLN A 28 1.814 6.061 7.198 1.00 0.00 C ATOM 414 C GLN A 28 2.532 7.330 6.715 1.00 0.00 C ATOM 415 O GLN A 28 1.907 8.374 6.532 1.00 0.00 O ATOM 416 CB GLN A 28 2.130 5.729 8.666 1.00 0.00 C ATOM 417 CG GLN A 28 2.030 6.931 9.621 1.00 0.00 C ATOM 418 CD GLN A 28 0.654 7.606 9.645 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.229 7.246 10.416 1.00 0.00 O ATOM 420 NE2 GLN A 28 0.416 8.611 8.826 1.00 0.00 N ATOM 0 H GLN A 28 2.714 4.203 6.837 1.00 0.00 H new ATOM 0 HA GLN A 28 0.745 6.262 7.122 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.446 4.951 9.006 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.137 5.316 8.725 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.277 6.600 10.630 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.779 7.670 9.336 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.139 8.923 8.178 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.492 9.076 8.840 1.00 0.00 H new ATOM 427 N GLU A 29 3.846 7.278 6.526 1.00 0.00 N ATOM 428 CA GLU A 29 4.636 8.453 6.200 1.00 0.00 C ATOM 429 C GLU A 29 4.218 9.071 4.861 1.00 0.00 C ATOM 430 O GLU A 29 3.893 10.258 4.835 1.00 0.00 O ATOM 431 CB GLU A 29 6.119 8.089 6.265 1.00 0.00 C ATOM 432 CG GLU A 29 6.613 7.651 7.654 1.00 0.00 C ATOM 433 CD GLU A 29 6.535 8.796 8.682 1.00 0.00 C ATOM 434 OE1 GLU A 29 7.462 9.643 8.724 1.00 0.00 O ATOM 435 OE2 GLU A 29 5.552 8.860 9.460 1.00 0.00 O ATOM 0 H GLU A 29 4.391 6.418 6.595 1.00 0.00 H new ATOM 0 HA GLU A 29 4.449 9.234 6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.313 7.285 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.705 8.949 5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.015 6.809 8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.642 7.301 7.579 1.00 0.00 H new ATOM 440 N ILE A 30 4.121 8.291 3.778 1.00 0.00 N ATOM 441 CA ILE A 30 3.610 8.780 2.483 1.00 0.00 C ATOM 442 C ILE A 30 2.182 9.323 2.586 1.00 0.00 C ATOM 443 O ILE A 30 1.901 10.367 1.999 1.00 0.00 O ATOM 444 CB ILE A 30 3.786 7.762 1.331 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.911 6.506 1.490 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.272 7.411 1.181 1.00 0.00 C ATOM 447 CD1 ILE A 30 3.195 5.377 0.488 1.00 0.00 C ATOM 0 H ILE A 30 4.392 7.308 3.770 1.00 0.00 H new ATOM 0 HA ILE A 30 4.241 9.628 2.215 1.00 0.00 H new ATOM 0 HB ILE A 30 3.436 8.235 0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.044 6.116 2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.865 6.798 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.396 6.694 0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.838 8.315 0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.638 6.975 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.526 4.539 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.032 5.741 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.229 5.049 0.593 1.00 0.00 H new ATOM 458 N ALA A 31 1.302 8.707 3.388 1.00 0.00 N ATOM 459 CA ALA A 31 -0.065 9.225 3.565 1.00 0.00 C ATOM 460 C ALA A 31 -0.074 10.627 4.204 1.00 0.00 C ATOM 461 O ALA A 31 -0.910 11.472 3.873 1.00 0.00 O ATOM 462 CB ALA A 31 -0.872 8.254 4.432 1.00 0.00 C ATOM 0 H ALA A 31 1.507 7.860 3.919 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.519 9.312 2.578 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.884 8.638 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.914 7.280 3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.394 8.152 5.406 1.00 0.00 H new ATOM 468 N ASN A 32 0.870 10.885 5.112 1.00 0.00 N ATOM 469 CA ASN A 32 0.990 12.142 5.842 1.00 0.00 C ATOM 470 C ASN A 32 1.419 13.309 4.943 1.00 0.00 C ATOM 471 O ASN A 32 0.757 14.343 4.925 1.00 0.00 O ATOM 472 CB ASN A 32 1.960 11.934 7.008 1.00 0.00 C ATOM 473 CG ASN A 32 2.057 13.165 7.894 1.00 0.00 C ATOM 474 OD1 ASN A 32 1.106 13.557 8.558 1.00 0.00 O ATOM 475 ND2 ASN A 32 3.196 13.821 7.928 1.00 0.00 N ATOM 0 H ASN A 32 1.589 10.206 5.364 1.00 0.00 H new ATOM 0 HA ASN A 32 0.009 12.422 6.226 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.632 11.083 7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.948 11.689 6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.287 14.656 8.507 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.989 13.495 7.375 1.00 0.00 H new ATOM 481 N ILE A 33 2.503 13.164 4.179 1.00 0.00 N ATOM 482 CA ILE A 33 3.028 14.245 3.315 1.00 0.00 C ATOM 483 C ILE A 33 2.027 14.617 2.213 1.00 0.00 C ATOM 484 O ILE A 33 1.897 15.782 1.834 1.00 0.00 O ATOM 485 CB ILE A 33 4.367 13.833 2.677 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.382 13.328 3.728 1.00 0.00 C ATOM 487 CG2 ILE A 33 5.010 14.963 1.864 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.868 11.951 3.301 1.00 0.00 C ATOM 0 H ILE A 33 3.046 12.302 4.135 1.00 0.00 H new ATOM 0 HA ILE A 33 3.186 15.118 3.949 1.00 0.00 H new ATOM 0 HB ILE A 33 4.119 13.017 1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.221 14.019 3.808 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.916 13.278 4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.951 14.615 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.337 15.262 1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.200 15.817 2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.586 11.576 4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.020 11.268 3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.346 12.021 2.324 1.00 0.00 H new ATOM 499 N LEU A 34 1.261 13.633 1.733 1.00 0.00 N ATOM 500 CA LEU A 34 0.184 13.800 0.755 1.00 0.00 C ATOM 501 C LEU A 34 -0.966 14.667 1.282 1.00 0.00 C ATOM 502 O LEU A 34 -1.669 15.314 0.500 1.00 0.00 O ATOM 503 CB LEU A 34 -0.288 12.396 0.328 1.00 0.00 C ATOM 504 CG LEU A 34 0.455 11.799 -0.891 1.00 0.00 C ATOM 505 CD1 LEU A 34 1.957 12.096 -0.939 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.251 10.282 -0.937 1.00 0.00 C ATOM 0 H LEU A 34 1.379 12.663 2.026 1.00 0.00 H new ATOM 0 HA LEU A 34 0.562 14.342 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.172 11.718 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.353 12.441 0.099 1.00 0.00 H new ATOM 0 HG LEU A 34 0.016 12.290 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.390 11.637 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.114 13.174 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.437 11.688 -0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.777 9.870 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.643 9.834 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.813 10.060 -1.022 1.00 0.00 H new ATOM 517 N LYS A 35 -1.115 14.767 2.606 1.00 0.00 N ATOM 518 CA LYS A 35 -2.121 15.639 3.233 1.00 0.00 C ATOM 519 C LYS A 35 -1.668 17.101 3.317 1.00 0.00 C ATOM 520 O LYS A 35 -2.493 17.987 3.544 1.00 0.00 O ATOM 521 CB LYS A 35 -2.538 15.038 4.592 1.00 0.00 C ATOM 522 CG LYS A 35 -1.918 15.738 5.818 1.00 0.00 C ATOM 523 CD LYS A 35 -1.946 14.868 7.079 1.00 0.00 C ATOM 524 CE LYS A 35 -3.377 14.607 7.562 1.00 0.00 C ATOM 525 NZ LYS A 35 -3.388 13.815 8.818 1.00 0.00 N ATOM 0 H LYS A 35 -0.545 14.249 3.275 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.006 15.674 2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.624 15.080 4.676 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.258 13.985 4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.887 16.009 5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.456 16.666 6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.453 13.918 6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.379 15.358 7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.887 15.557 7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.932 14.075 6.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.371 13.655 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.922 12.899 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.879 14.335 9.561 1.00 0.00 H new ATOM 535 N GLU A 36 -0.375 17.366 3.117 1.00 0.00 N ATOM 536 CA GLU A 36 0.195 18.715 3.211 1.00 0.00 C ATOM 537 C GLU A 36 0.071 19.485 1.887 1.00 0.00 C ATOM 538 O GLU A 36 0.252 20.709 1.880 1.00 0.00 O ATOM 539 CB GLU A 36 1.672 18.660 3.644 1.00 0.00 C ATOM 540 CG GLU A 36 1.882 17.965 4.994 1.00 0.00 C ATOM 541 CD GLU A 36 3.324 18.164 5.498 1.00 0.00 C ATOM 542 OE1 GLU A 36 4.244 17.449 5.030 1.00 0.00 O ATOM 543 OE2 GLU A 36 3.550 19.042 6.368 1.00 0.00 O ATOM 0 H GLU A 36 0.311 16.648 2.884 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.380 19.248 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.248 18.137 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.065 19.675 3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.179 18.363 5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.671 16.900 4.896 1.00 0.00 H new ATOM 548 N LYS A 37 -0.244 18.795 0.777 1.00 0.00 N ATOM 549 CA LYS A 37 -0.221 19.382 -0.573 1.00 0.00 C ATOM 550 C LYS A 37 -1.515 19.220 -1.376 1.00 0.00 C ATOM 551 O LYS A 37 -1.789 20.078 -2.220 1.00 0.00 O ATOM 552 CB LYS A 37 1.036 18.905 -1.306 1.00 0.00 C ATOM 553 CG LYS A 37 1.102 17.376 -1.443 1.00 0.00 C ATOM 554 CD LYS A 37 2.462 16.935 -1.996 1.00 0.00 C ATOM 555 CE LYS A 37 3.504 17.004 -0.877 1.00 0.00 C ATOM 556 NZ LYS A 37 4.885 16.846 -1.400 1.00 0.00 N ATOM 0 H LYS A 37 -0.522 17.814 0.791 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.168 20.465 -0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.065 19.356 -2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.918 19.256 -0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.932 16.912 -0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.307 17.031 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.397 15.920 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.757 17.578 -2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.418 17.959 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.302 16.224 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.562 16.898 -0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.974 15.924 -1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.087 17.605 -2.082 1.00 0.00 H new ATOM 566 N GLY A 38 -2.370 18.240 -1.058 1.00 0.00 N ATOM 567 CA GLY A 38 -3.811 18.387 -1.311 1.00 0.00 C ATOM 568 C GLY A 38 -4.607 17.090 -1.388 1.00 0.00 C ATOM 569 O GLY A 38 -5.811 17.130 -1.662 1.00 0.00 O ATOM 0 H GLY A 38 -2.098 17.353 -0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.238 19.007 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.943 18.928 -2.248 1.00 0.00 H new ATOM 573 N PHE A 39 -3.963 15.939 -1.184 1.00 0.00 N ATOM 574 CA PHE A 39 -4.564 14.645 -1.483 1.00 0.00 C ATOM 575 C PHE A 39 -5.374 14.083 -0.315 1.00 0.00 C ATOM 576 O PHE A 39 -6.309 13.310 -0.538 1.00 0.00 O ATOM 577 CB PHE A 39 -3.458 13.670 -1.895 1.00 0.00 C ATOM 578 CG PHE A 39 -2.584 14.218 -3.001 1.00 0.00 C ATOM 579 CD1 PHE A 39 -3.130 14.417 -4.282 1.00 0.00 C ATOM 580 CD2 PHE A 39 -1.257 14.602 -2.737 1.00 0.00 C ATOM 581 CE1 PHE A 39 -2.358 15.014 -5.289 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.475 15.161 -3.762 1.00 0.00 C ATOM 583 CZ PHE A 39 -1.025 15.378 -5.037 1.00 0.00 C ATOM 0 H PHE A 39 -3.016 15.881 -0.809 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.271 14.782 -2.301 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.839 13.440 -1.028 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.908 12.733 -2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.144 14.110 -4.490 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.840 14.468 -1.750 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.790 15.195 -6.262 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.554 15.425 -3.569 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.426 15.822 -5.818 1.00 0.00 H new ATOM 592 N LYS A 40 -4.997 14.479 0.915 1.00 0.00 N ATOM 593 CA LYS A 40 -5.472 14.041 2.242 1.00 0.00 C ATOM 594 C LYS A 40 -5.946 12.582 2.292 1.00 0.00 C ATOM 595 O LYS A 40 -6.950 12.266 2.932 1.00 0.00 O ATOM 596 CB LYS A 40 -6.468 15.071 2.811 1.00 0.00 C ATOM 597 CG LYS A 40 -7.636 15.389 1.860 1.00 0.00 C ATOM 598 CD LYS A 40 -8.958 15.653 2.590 1.00 0.00 C ATOM 599 CE LYS A 40 -9.533 14.345 3.152 1.00 0.00 C ATOM 600 NZ LYS A 40 -10.798 14.581 3.895 1.00 0.00 N ATOM 0 H LYS A 40 -4.273 15.191 1.014 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.615 14.022 2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.869 14.695 3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.934 15.994 3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.380 16.262 1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.770 14.556 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.797 16.364 3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.674 16.107 1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.714 13.646 2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.802 13.880 3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.159 13.677 4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.619 15.229 4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.502 15.002 3.256 1.00 0.00 H new ATOM 610 N VAL A 41 -5.210 11.701 1.608 1.00 0.00 N ATOM 611 CA VAL A 41 -5.502 10.258 1.544 1.00 0.00 C ATOM 612 C VAL A 41 -4.925 9.585 2.806 1.00 0.00 C ATOM 613 O VAL A 41 -3.851 9.951 3.290 1.00 0.00 O ATOM 614 CB VAL A 41 -5.018 9.623 0.222 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.544 9.968 -0.060 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.107 8.094 0.214 1.00 0.00 C ATOM 0 H VAL A 41 -4.383 11.969 1.075 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.580 10.098 1.537 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.683 10.035 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.235 9.506 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.431 11.050 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.921 9.593 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.752 7.714 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.490 7.689 1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.143 7.789 0.364 1.00 0.00 H new ATOM 626 N ALA A 42 -5.642 8.614 3.361 1.00 0.00 N ATOM 627 CA ALA A 42 -5.283 7.795 4.508 1.00 0.00 C ATOM 628 C ALA A 42 -4.367 6.617 4.126 1.00 0.00 C ATOM 629 O ALA A 42 -4.227 6.208 2.968 1.00 0.00 O ATOM 630 CB ALA A 42 -6.559 7.272 5.184 1.00 0.00 C ATOM 0 H ALA A 42 -6.558 8.362 2.991 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.723 8.424 5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.290 6.658 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.167 8.114 5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.127 6.672 4.473 1.00 0.00 H new ATOM 636 N ARG A 43 -3.780 6.008 5.152 1.00 0.00 N ATOM 637 CA ARG A 43 -2.781 4.942 5.045 1.00 0.00 C ATOM 638 C ARG A 43 -3.296 3.650 4.418 1.00 0.00 C ATOM 639 O ARG A 43 -2.520 2.912 3.820 1.00 0.00 O ATOM 640 CB ARG A 43 -2.158 4.737 6.436 1.00 0.00 C ATOM 641 CG ARG A 43 -1.099 3.630 6.483 1.00 0.00 C ATOM 642 CD ARG A 43 -1.615 2.291 7.030 1.00 0.00 C ATOM 643 NE ARG A 43 -1.700 2.289 8.501 1.00 0.00 N ATOM 644 CZ ARG A 43 -0.701 2.169 9.361 1.00 0.00 C ATOM 645 NH1 ARG A 43 0.545 2.046 8.997 1.00 0.00 N ATOM 646 NH2 ARG A 43 -0.945 2.177 10.641 1.00 0.00 N ATOM 0 H ARG A 43 -3.993 6.251 6.119 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.014 5.257 4.338 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.706 5.673 6.763 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.950 4.500 7.147 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.708 3.473 5.478 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.266 3.965 7.100 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.599 2.084 6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.954 1.488 6.704 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.633 2.392 8.901 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.789 2.039 8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.276 1.957 9.703 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.903 2.275 10.977 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.178 2.085 11.307 1.00 0.00 H new ATOM 657 N ARG A 44 -4.597 3.375 4.482 1.00 0.00 N ATOM 658 CA ARG A 44 -5.181 2.140 3.947 1.00 0.00 C ATOM 659 C ARG A 44 -5.159 2.113 2.430 1.00 0.00 C ATOM 660 O ARG A 44 -4.900 1.083 1.818 1.00 0.00 O ATOM 661 CB ARG A 44 -6.621 2.011 4.455 1.00 0.00 C ATOM 662 CG ARG A 44 -6.705 1.703 5.963 1.00 0.00 C ATOM 663 CD ARG A 44 -5.983 0.421 6.414 1.00 0.00 C ATOM 664 NE ARG A 44 -5.955 0.319 7.886 1.00 0.00 N ATOM 665 CZ ARG A 44 -5.071 -0.353 8.602 1.00 0.00 C ATOM 666 NH1 ARG A 44 -4.283 -1.246 8.079 1.00 0.00 N ATOM 667 NH2 ARG A 44 -4.957 -0.132 9.880 1.00 0.00 N ATOM 0 H ARG A 44 -5.280 4.002 4.907 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.581 1.298 4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.157 2.938 4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.126 1.220 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.289 2.547 6.513 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.756 1.626 6.243 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.486 -0.450 5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.964 0.418 6.026 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.686 0.813 8.398 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.334 -1.449 7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.614 -1.743 8.667 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.552 0.562 10.333 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.273 -0.653 10.429 1.00 0.00 H new ATOM 678 N THR A 45 -5.423 3.260 1.828 1.00 0.00 N ATOM 679 CA THR A 45 -5.556 3.476 0.402 1.00 0.00 C ATOM 680 C THR A 45 -4.179 3.549 -0.215 1.00 0.00 C ATOM 681 O THR A 45 -3.890 2.895 -1.218 1.00 0.00 O ATOM 682 CB THR A 45 -6.259 4.819 0.213 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.369 4.894 1.077 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.704 5.013 -1.227 1.00 0.00 C ATOM 0 H THR A 45 -5.559 4.120 2.360 1.00 0.00 H new ATOM 0 HA THR A 45 -6.119 2.669 -0.067 1.00 0.00 H new ATOM 0 HB THR A 45 -5.553 5.614 0.453 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.819 5.756 0.957 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.201 5.978 -1.327 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.835 4.982 -1.884 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.396 4.218 -1.504 1.00 0.00 H new ATOM 692 N VAL A 46 -3.306 4.314 0.441 1.00 0.00 N ATOM 693 CA VAL A 46 -1.959 4.561 -0.032 1.00 0.00 C ATOM 694 C VAL A 46 -1.126 3.267 -0.032 1.00 0.00 C ATOM 695 O VAL A 46 -0.282 3.051 -0.905 1.00 0.00 O ATOM 696 CB VAL A 46 -1.333 5.704 0.786 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.455 5.219 1.935 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.479 6.614 -0.092 1.00 0.00 C ATOM 0 H VAL A 46 -3.523 4.780 1.322 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.981 4.886 -1.072 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.184 6.246 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.047 6.077 2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.052 4.617 2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.362 4.616 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.052 7.411 0.517 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.324 6.033 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.099 7.049 -0.876 1.00 0.00 H new ATOM 708 N ALA A 47 -1.411 2.374 0.927 1.00 0.00 N ATOM 709 CA ALA A 47 -0.753 1.087 1.110 1.00 0.00 C ATOM 710 C ALA A 47 -1.113 0.099 0.002 1.00 0.00 C ATOM 711 O ALA A 47 -0.277 -0.700 -0.420 1.00 0.00 O ATOM 712 CB ALA A 47 -1.182 0.489 2.453 1.00 0.00 C ATOM 0 H ALA A 47 -2.138 2.543 1.622 1.00 0.00 H new ATOM 0 HA ALA A 47 0.323 1.258 1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.693 -0.474 2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.896 1.164 3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.263 0.351 2.461 1.00 0.00 H new ATOM 718 N LYS A 48 -2.363 0.155 -0.469 1.00 0.00 N ATOM 719 CA LYS A 48 -2.887 -0.696 -1.539 1.00 0.00 C ATOM 720 C LYS A 48 -2.448 -0.222 -2.932 1.00 0.00 C ATOM 721 O LYS A 48 -2.467 -1.004 -3.881 1.00 0.00 O ATOM 722 CB LYS A 48 -4.416 -0.743 -1.395 1.00 0.00 C ATOM 723 CG LYS A 48 -4.828 -1.539 -0.142 1.00 0.00 C ATOM 724 CD LYS A 48 -6.347 -1.498 0.096 1.00 0.00 C ATOM 725 CE LYS A 48 -6.730 -1.600 1.580 1.00 0.00 C ATOM 726 NZ LYS A 48 -6.190 -2.816 2.238 1.00 0.00 N ATOM 0 H LYS A 48 -3.055 0.811 -0.106 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.476 -1.701 -1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.810 0.271 -1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.855 -1.201 -2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.506 -2.575 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.314 -1.134 0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.747 -0.570 -0.313 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.816 -2.316 -0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.365 -0.717 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.816 -1.597 1.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.523 -2.855 3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.517 -3.661 1.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.151 -2.785 2.226 1.00 0.00 H new ATOM 736 N TYR A 49 -2.018 1.036 -3.056 1.00 0.00 N ATOM 737 CA TYR A 49 -1.590 1.647 -4.321 1.00 0.00 C ATOM 738 C TYR A 49 -0.154 1.301 -4.681 1.00 0.00 C ATOM 739 O TYR A 49 0.097 0.839 -5.795 1.00 0.00 O ATOM 740 CB TYR A 49 -1.810 3.164 -4.291 1.00 0.00 C ATOM 741 CG TYR A 49 -3.199 3.561 -4.753 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.324 2.759 -4.471 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.341 4.695 -5.569 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.569 3.063 -5.050 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.579 5.002 -6.164 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.690 4.171 -5.918 1.00 0.00 C ATOM 747 OH TYR A 49 -6.888 4.443 -6.491 1.00 0.00 O ATOM 0 H TYR A 49 -1.956 1.674 -2.263 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.213 1.224 -5.109 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.650 3.531 -3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.068 3.648 -4.926 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.229 1.910 -3.810 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.491 5.339 -5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.431 2.450 -4.831 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.677 5.867 -6.803 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.806 5.237 -7.060 1.00 0.00 H new ATOM 756 N ARG A 50 0.788 1.441 -3.741 1.00 0.00 N ATOM 757 CA ARG A 50 2.192 1.040 -3.962 1.00 0.00 C ATOM 758 C ARG A 50 2.343 -0.423 -4.404 1.00 0.00 C ATOM 759 O ARG A 50 3.326 -0.756 -5.063 1.00 0.00 O ATOM 760 CB ARG A 50 3.054 1.414 -2.739 1.00 0.00 C ATOM 761 CG ARG A 50 2.636 0.765 -1.412 1.00 0.00 C ATOM 762 CD ARG A 50 3.653 -0.245 -0.871 1.00 0.00 C ATOM 763 NE ARG A 50 3.682 -1.507 -1.633 1.00 0.00 N ATOM 764 CZ ARG A 50 2.919 -2.562 -1.415 1.00 0.00 C ATOM 765 NH1 ARG A 50 1.863 -2.514 -0.665 1.00 0.00 N ATOM 766 NH2 ARG A 50 3.194 -3.701 -1.974 1.00 0.00 N ATOM 0 H ARG A 50 0.608 1.830 -2.815 1.00 0.00 H new ATOM 0 HA ARG A 50 2.572 1.608 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.088 1.139 -2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.030 2.497 -2.617 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.483 1.547 -0.668 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.678 0.264 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.646 0.205 -0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.419 -0.463 0.171 1.00 0.00 H new ATOM 0 HE ARG A 50 4.353 -1.571 -2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.595 -1.638 -0.218 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.300 -3.353 -0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.005 -3.786 -2.587 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.599 -4.511 -1.800 1.00 0.00 H new ATOM 777 N GLU A 51 1.339 -1.263 -4.141 1.00 0.00 N ATOM 778 CA GLU A 51 1.265 -2.654 -4.611 1.00 0.00 C ATOM 779 C GLU A 51 1.069 -2.760 -6.135 1.00 0.00 C ATOM 780 O GLU A 51 1.762 -3.538 -6.796 1.00 0.00 O ATOM 781 CB GLU A 51 0.140 -3.379 -3.848 1.00 0.00 C ATOM 782 CG GLU A 51 0.219 -4.915 -3.876 1.00 0.00 C ATOM 783 CD GLU A 51 -0.200 -5.558 -5.213 1.00 0.00 C ATOM 784 OE1 GLU A 51 -1.267 -5.199 -5.769 1.00 0.00 O ATOM 785 OE2 GLU A 51 0.511 -6.475 -5.694 1.00 0.00 O ATOM 0 H GLU A 51 0.532 -0.990 -3.580 1.00 0.00 H new ATOM 0 HA GLU A 51 2.221 -3.136 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.155 -3.049 -2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.818 -3.072 -4.267 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.241 -5.217 -3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.415 -5.312 -3.083 1.00 0.00 H new ATOM 790 N MET A 52 0.138 -1.983 -6.697 1.00 0.00 N ATOM 791 CA MET A 52 -0.251 -2.076 -8.114 1.00 0.00 C ATOM 792 C MET A 52 0.682 -1.308 -9.063 1.00 0.00 C ATOM 793 O MET A 52 0.818 -1.686 -10.229 1.00 0.00 O ATOM 794 CB MET A 52 -1.722 -1.668 -8.315 1.00 0.00 C ATOM 795 CG MET A 52 -2.000 -0.173 -8.127 1.00 0.00 C ATOM 796 SD MET A 52 -3.705 0.318 -8.498 1.00 0.00 S ATOM 797 CE MET A 52 -3.551 2.093 -8.178 1.00 0.00 C ATOM 0 H MET A 52 -0.372 -1.266 -6.181 1.00 0.00 H new ATOM 0 HA MET A 52 -0.145 -3.126 -8.386 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.032 -1.959 -9.319 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.340 -2.230 -7.615 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.771 0.101 -7.097 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.323 0.394 -8.766 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.506 2.582 -8.371 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.266 2.252 -7.138 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.788 2.516 -8.832 1.00 0.00 H new ATOM 805 N LEU A 53 1.342 -0.250 -8.577 1.00 0.00 N ATOM 806 CA LEU A 53 2.322 0.533 -9.331 1.00 0.00 C ATOM 807 C LEU A 53 3.621 -0.256 -9.567 1.00 0.00 C ATOM 808 O LEU A 53 3.982 -0.514 -10.719 1.00 0.00 O ATOM 809 CB LEU A 53 2.548 1.867 -8.602 1.00 0.00 C ATOM 810 CG LEU A 53 1.418 2.859 -8.932 1.00 0.00 C ATOM 811 CD1 LEU A 53 0.953 3.587 -7.675 1.00 0.00 C ATOM 812 CD2 LEU A 53 1.962 3.858 -9.950 1.00 0.00 C ATOM 0 H LEU A 53 1.205 0.092 -7.626 1.00 0.00 H new ATOM 0 HA LEU A 53 1.938 0.748 -10.328 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.589 1.698 -7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.509 2.290 -8.895 1.00 0.00 H new ATOM 0 HG LEU A 53 0.559 2.326 -9.339 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.154 4.283 -7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.583 2.862 -6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.789 4.138 -7.243 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.184 4.577 -10.206 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.816 4.384 -9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.275 3.327 -10.849 1.00 0.00 H new ATOM 823 N GLY A 54 4.300 -0.675 -8.494 1.00 0.00 N ATOM 824 CA GLY A 54 5.417 -1.627 -8.596 1.00 0.00 C ATOM 825 C GLY A 54 6.294 -1.870 -7.360 1.00 0.00 C ATOM 826 O GLY A 54 7.316 -2.552 -7.483 1.00 0.00 O ATOM 0 H GLY A 54 4.097 -0.371 -7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.005 -2.588 -8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.068 -1.287 -9.402 1.00 0.00 H new ATOM 830 N ILE A 55 5.964 -1.316 -6.190 1.00 0.00 N ATOM 831 CA ILE A 55 6.806 -1.364 -4.983 1.00 0.00 C ATOM 832 C ILE A 55 6.480 -2.606 -4.125 1.00 0.00 C ATOM 833 O ILE A 55 5.322 -2.798 -3.742 1.00 0.00 O ATOM 834 CB ILE A 55 6.655 -0.042 -4.200 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.404 1.083 -4.952 1.00 0.00 C ATOM 836 CG2 ILE A 55 7.186 -0.142 -2.761 1.00 0.00 C ATOM 837 CD1 ILE A 55 6.862 2.485 -4.640 1.00 0.00 C ATOM 0 H ILE A 55 5.089 -0.811 -6.049 1.00 0.00 H new ATOM 0 HA ILE A 55 7.852 -1.465 -5.272 1.00 0.00 H new ATOM 0 HB ILE A 55 5.590 0.181 -4.134 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.462 1.043 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.333 0.904 -6.025 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.055 0.816 -2.257 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.635 -0.914 -2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.245 -0.399 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.431 3.228 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.812 2.541 -4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.958 2.683 -3.572 1.00 0.00 H new ATOM 848 N PRO A 56 7.478 -3.440 -3.766 1.00 0.00 N ATOM 849 CA PRO A 56 7.285 -4.602 -2.898 1.00 0.00 C ATOM 850 C PRO A 56 6.997 -4.168 -1.450 1.00 0.00 C ATOM 851 O PRO A 56 5.980 -4.562 -0.882 1.00 0.00 O ATOM 852 CB PRO A 56 8.558 -5.438 -3.056 1.00 0.00 C ATOM 853 CG PRO A 56 9.639 -4.427 -3.435 1.00 0.00 C ATOM 854 CD PRO A 56 8.882 -3.289 -4.121 1.00 0.00 C ATOM 0 HA PRO A 56 6.414 -5.197 -3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.808 -5.958 -2.131 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.439 -6.199 -3.827 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.175 -4.072 -2.555 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.379 -4.869 -4.102 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.261 -2.321 -3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.014 -3.334 -5.202 1.00 0.00 H new ATOM 859 N SER A 57 7.849 -3.306 -0.881 1.00 0.00 N ATOM 860 CA SER A 57 7.548 -2.487 0.313 1.00 0.00 C ATOM 861 C SER A 57 8.458 -1.259 0.519 1.00 0.00 C ATOM 862 O SER A 57 8.213 -0.416 1.380 1.00 0.00 O ATOM 863 CB SER A 57 7.604 -3.346 1.584 1.00 0.00 C ATOM 864 OG SER A 57 8.949 -3.655 1.930 1.00 0.00 O ATOM 0 H SER A 57 8.790 -3.151 -1.242 1.00 0.00 H new ATOM 0 HA SER A 57 6.545 -2.104 0.127 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.125 -2.816 2.407 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.043 -4.268 1.430 1.00 0.00 H new ATOM 0 HG SER A 57 8.960 -4.201 2.744 1.00 0.00 H new ATOM 869 N SER A 58 9.550 -1.166 -0.249 1.00 0.00 N ATOM 870 CA SER A 58 10.714 -0.271 -0.074 1.00 0.00 C ATOM 871 C SER A 58 11.553 -0.509 1.187 1.00 0.00 C ATOM 872 O SER A 58 12.734 -0.162 1.186 1.00 0.00 O ATOM 873 CB SER A 58 10.354 1.216 -0.196 1.00 0.00 C ATOM 874 OG SER A 58 9.706 1.465 -1.429 1.00 0.00 O ATOM 0 H SER A 58 9.657 -1.757 -1.073 1.00 0.00 H new ATOM 0 HA SER A 58 11.351 -0.551 -0.913 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.705 1.509 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.256 1.823 -0.123 1.00 0.00 H new ATOM 0 HG SER A 58 9.480 2.416 -1.494 1.00 0.00 H new ATOM 879 N ARG A 59 11.025 -1.180 2.220 1.00 0.00 N ATOM 880 CA ARG A 59 11.781 -1.630 3.398 1.00 0.00 C ATOM 881 C ARG A 59 12.739 -2.745 2.989 1.00 0.00 C ATOM 882 O ARG A 59 13.875 -2.800 3.454 1.00 0.00 O ATOM 883 CB ARG A 59 10.782 -2.109 4.471 1.00 0.00 C ATOM 884 CG ARG A 59 11.411 -2.225 5.869 1.00 0.00 C ATOM 885 CD ARG A 59 10.400 -2.772 6.889 1.00 0.00 C ATOM 886 NE ARG A 59 10.282 -4.243 6.827 1.00 0.00 N ATOM 887 CZ ARG A 59 9.354 -5.000 7.393 1.00 0.00 C ATOM 888 NH1 ARG A 59 8.276 -4.501 7.927 1.00 0.00 N ATOM 889 NH2 ARG A 59 9.507 -6.290 7.439 1.00 0.00 N ATOM 0 H ARG A 59 10.037 -1.431 2.261 1.00 0.00 H new ATOM 0 HA ARG A 59 12.373 -0.814 3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.942 -1.415 4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.380 -3.079 4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.280 -2.881 5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.766 -1.247 6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.704 -2.476 7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.424 -2.323 6.706 1.00 0.00 H new ATOM 0 HE ARG A 59 10.996 -4.731 6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.123 -3.493 7.919 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.585 -5.119 8.353 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.342 -6.719 7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.793 -6.873 7.875 1.00 0.00 H new ATOM 900 N GLU A 60 12.278 -3.594 2.067 1.00 0.00 N ATOM 901 CA GLU A 60 13.031 -4.724 1.532 1.00 0.00 C ATOM 902 C GLU A 60 13.998 -4.338 0.398 1.00 0.00 C ATOM 903 O GLU A 60 15.021 -5.002 0.209 1.00 0.00 O ATOM 904 CB GLU A 60 12.070 -5.871 1.166 1.00 0.00 C ATOM 905 CG GLU A 60 11.195 -5.662 -0.082 1.00 0.00 C ATOM 906 CD GLU A 60 11.779 -6.388 -1.311 1.00 0.00 C ATOM 907 OE1 GLU A 60 11.523 -7.605 -1.475 1.00 0.00 O ATOM 908 OE2 GLU A 60 12.488 -5.748 -2.123 1.00 0.00 O ATOM 0 H GLU A 60 11.345 -3.509 1.663 1.00 0.00 H new ATOM 0 HA GLU A 60 13.693 -5.087 2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.659 -6.777 1.022 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.413 -6.050 2.017 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.187 -6.029 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.111 -4.596 -0.294 1.00 0.00 H new ATOM 913 N ARG A 61 13.724 -3.232 -0.315 1.00 0.00 N ATOM 914 CA ARG A 61 14.611 -2.632 -1.326 1.00 0.00 C ATOM 915 C ARG A 61 15.807 -1.909 -0.707 1.00 0.00 C ATOM 916 O ARG A 61 16.918 -1.993 -1.237 1.00 0.00 O ATOM 917 CB ARG A 61 13.824 -1.651 -2.203 1.00 0.00 C ATOM 918 CG ARG A 61 12.617 -2.315 -2.881 1.00 0.00 C ATOM 919 CD ARG A 61 12.112 -1.476 -4.055 1.00 0.00 C ATOM 920 NE ARG A 61 11.568 -0.161 -3.649 1.00 0.00 N ATOM 921 CZ ARG A 61 11.762 1.000 -4.248 1.00 0.00 C ATOM 922 NH1 ARG A 61 12.454 1.135 -5.340 1.00 0.00 N ATOM 923 NH2 ARG A 61 11.259 2.092 -3.769 1.00 0.00 N ATOM 0 H ARG A 61 12.852 -2.715 -0.200 1.00 0.00 H new ATOM 0 HA ARG A 61 14.998 -3.452 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.481 -0.816 -1.592 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.485 -1.238 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.895 -3.308 -3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.816 -2.448 -2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.930 -1.321 -4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.338 -2.033 -4.583 1.00 0.00 H new ATOM 0 HE ARG A 61 10.979 -0.150 -2.816 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.880 0.318 -5.778 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.571 2.058 -5.759 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.702 2.065 -2.915 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.420 2.979 -4.246 1.00 0.00 H new ATOM 934 N ARG A 62 15.584 -1.192 0.402 1.00 0.00 N ATOM 935 CA ARG A 62 16.585 -0.436 1.154 1.00 0.00 C ATOM 936 C ARG A 62 17.664 -1.340 1.755 1.00 0.00 C ATOM 937 O ARG A 62 18.847 -1.159 1.451 1.00 0.00 O ATOM 938 CB ARG A 62 15.807 0.329 2.232 1.00 0.00 C ATOM 939 CG ARG A 62 16.699 1.070 3.229 1.00 0.00 C ATOM 940 CD ARG A 62 16.160 0.885 4.642 1.00 0.00 C ATOM 941 NE ARG A 62 16.999 1.612 5.611 1.00 0.00 N ATOM 942 CZ ARG A 62 17.019 1.476 6.924 1.00 0.00 C ATOM 943 NH1 ARG A 62 16.256 0.624 7.546 1.00 0.00 N ATOM 944 NH2 ARG A 62 17.818 2.209 7.644 1.00 0.00 N ATOM 0 H ARG A 62 14.655 -1.122 0.816 1.00 0.00 H new ATOM 0 HA ARG A 62 17.131 0.246 0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.145 1.047 1.748 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.174 -0.372 2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.720 0.693 3.167 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.735 2.131 2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.133 1.247 4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.138 -0.175 4.894 1.00 0.00 H new ATOM 0 HE ARG A 62 17.641 2.302 5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.615 0.033 7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.300 0.547 8.562 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.430 2.890 7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.832 2.103 8.658 1.00 0.00 H new ATOM 955 N ILE A 63 17.242 -2.224 2.667 1.00 0.00 N ATOM 956 CA ILE A 63 18.087 -3.029 3.576 1.00 0.00 C ATOM 957 C ILE A 63 19.155 -3.881 2.863 1.00 0.00 C ATOM 958 O ILE A 63 18.868 -4.488 1.805 1.00 0.00 O ATOM 959 CB ILE A 63 17.184 -3.825 4.550 1.00 0.00 C ATOM 960 CG1 ILE A 63 17.939 -4.379 5.775 1.00 0.00 C ATOM 961 CG2 ILE A 63 16.452 -4.981 3.845 1.00 0.00 C ATOM 962 CD1 ILE A 63 18.479 -3.287 6.710 1.00 0.00 C ATOM 963 OXT ILE A 63 20.304 -3.920 3.364 1.00 0.00 O ATOM 0 H ILE A 63 16.249 -2.412 2.803 1.00 0.00 H new ATOM 0 HA ILE A 63 18.694 -2.342 4.165 1.00 0.00 H new ATOM 0 HB ILE A 63 16.455 -3.097 4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.271 -5.031 6.339 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.770 -4.995 5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 63 15.830 -5.512 4.566 1.00 0.00 H new ATOM 0 HG22 ILE A 63 15.824 -4.582 3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.183 -5.669 3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.998 -3.750 7.549 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.172 -2.649 6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.650 -2.685 7.084 1.00 0.00 H new