USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=11 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 Set 1.1: A 32 ASN : amide:sc= 1.72 K(o=2.9,f=-2.6) USER MOD Set 1.2: A 35 LYS NZ :NH3+ 180:sc= 1.18 (180deg=0) 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+ 172:sc= 0 (180deg=-0.0457) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 143:sc= 0.237 (180deg=0) 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= 0.828 K(o=0.83,f=-0.019) 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 USER MOD Single : A 48 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00535) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -175:sc= -0.158 (180deg=-0.24) USER MOD Single : A 57 SER OG : rot -170:sc= 0.109 USER MOD Single : A 58 SER OG : rot 180:sc= 0.048 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -9.997 13.167 -4.143 1.00 0.00 N ATOM 35 CA LEU A 3 -9.032 13.125 -5.246 1.00 0.00 C ATOM 36 C LEU A 3 -9.615 12.666 -6.587 1.00 0.00 C ATOM 37 O LEU A 3 -10.742 12.168 -6.683 1.00 0.00 O ATOM 38 CB LEU A 3 -7.831 12.261 -4.818 1.00 0.00 C ATOM 39 CG LEU A 3 -7.031 12.863 -3.649 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.700 12.131 -3.502 1.00 0.00 C ATOM 41 CD2 LEU A 3 -6.734 14.346 -3.864 1.00 0.00 C ATOM 0 HA LEU A 3 -8.713 14.150 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.188 11.271 -4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.167 12.126 -5.672 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.641 12.751 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.138 12.561 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.885 11.075 -3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.125 12.233 -4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.168 14.730 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.151 14.472 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.671 14.895 -3.954 1.00 0.00 H new ATOM 52 N THR A 4 -8.804 12.844 -7.629 1.00 0.00 N ATOM 53 CA THR A 4 -9.049 12.331 -8.990 1.00 0.00 C ATOM 54 C THR A 4 -8.832 10.812 -9.069 1.00 0.00 C ATOM 55 O THR A 4 -8.607 10.136 -8.059 1.00 0.00 O ATOM 56 CB THR A 4 -8.177 13.054 -10.037 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.809 12.825 -9.784 1.00 0.00 O ATOM 58 CG2 THR A 4 -8.428 14.561 -10.090 1.00 0.00 C ATOM 0 H THR A 4 -7.930 13.364 -7.554 1.00 0.00 H new ATOM 0 HA THR A 4 -10.094 12.537 -9.221 1.00 0.00 H new ATOM 0 HB THR A 4 -8.460 12.638 -11.004 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.270 13.289 -10.458 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.784 15.011 -10.846 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.471 14.747 -10.345 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.208 15.001 -9.117 1.00 0.00 H new ATOM 66 N GLN A 5 -8.876 10.257 -10.285 1.00 0.00 N ATOM 67 CA GLN A 5 -8.533 8.863 -10.592 1.00 0.00 C ATOM 68 C GLN A 5 -7.158 8.406 -10.065 1.00 0.00 C ATOM 69 O GLN A 5 -6.949 7.205 -9.871 1.00 0.00 O ATOM 70 CB GLN A 5 -8.626 8.657 -12.113 1.00 0.00 C ATOM 71 CG GLN A 5 -7.581 9.428 -12.938 1.00 0.00 C ATOM 72 CD GLN A 5 -7.764 9.198 -14.438 1.00 0.00 C ATOM 73 OE1 GLN A 5 -7.093 8.382 -15.061 1.00 0.00 O ATOM 74 NE2 GLN A 5 -8.676 9.897 -15.084 1.00 0.00 N ATOM 0 H GLN A 5 -9.161 10.783 -11.111 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.253 8.238 -10.064 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.524 7.593 -12.327 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.621 8.955 -12.445 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.660 10.493 -12.721 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.580 9.115 -12.641 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.244 10.580 -14.583 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.814 9.754 -16.085 1.00 0.00 H new ATOM 81 N GLY A 6 -6.221 9.335 -9.831 1.00 0.00 N ATOM 82 CA GLY A 6 -4.888 9.000 -9.360 1.00 0.00 C ATOM 83 C GLY A 6 -4.056 10.137 -8.773 1.00 0.00 C ATOM 84 O GLY A 6 -2.837 10.038 -8.846 1.00 0.00 O ATOM 0 H GLY A 6 -6.374 10.334 -9.965 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.982 8.222 -8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.333 8.568 -10.193 1.00 0.00 H new ATOM 88 N GLU A 7 -4.624 11.183 -8.161 1.00 0.00 N ATOM 89 CA GLU A 7 -3.868 12.279 -7.544 1.00 0.00 C ATOM 90 C GLU A 7 -2.961 11.832 -6.381 1.00 0.00 C ATOM 91 O GLU A 7 -2.096 12.586 -5.952 1.00 0.00 O ATOM 92 CB GLU A 7 -4.837 13.382 -7.082 1.00 0.00 C ATOM 93 CG GLU A 7 -4.596 14.684 -7.849 1.00 0.00 C ATOM 94 CD GLU A 7 -5.435 15.860 -7.314 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.675 15.728 -7.175 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.855 16.946 -7.056 1.00 0.00 O ATOM 0 H GLU A 7 -5.635 11.293 -8.079 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.196 12.666 -8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.865 13.053 -7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.711 13.557 -6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.539 14.943 -7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.829 14.528 -8.902 1.00 0.00 H new ATOM 101 N LEU A 8 -3.102 10.593 -5.906 1.00 0.00 N ATOM 102 CA LEU A 8 -2.145 9.928 -5.014 1.00 0.00 C ATOM 103 C LEU A 8 -1.392 8.755 -5.682 1.00 0.00 C ATOM 104 O LEU A 8 -0.320 8.373 -5.221 1.00 0.00 O ATOM 105 CB LEU A 8 -2.878 9.568 -3.708 1.00 0.00 C ATOM 106 CG LEU A 8 -3.876 8.395 -3.819 1.00 0.00 C ATOM 107 CD1 LEU A 8 -3.244 7.119 -3.254 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.180 8.658 -3.064 1.00 0.00 C ATOM 0 H LEU A 8 -3.905 10.008 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.332 10.612 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.136 9.322 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.414 10.449 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.110 8.283 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.953 6.295 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.343 6.879 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.986 7.274 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.844 7.801 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.963 8.814 -2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.663 9.547 -3.470 1.00 0.00 H new ATOM 119 N MET A 9 -1.879 8.232 -6.814 1.00 0.00 N ATOM 120 CA MET A 9 -1.242 7.163 -7.597 1.00 0.00 C ATOM 121 C MET A 9 0.044 7.669 -8.235 1.00 0.00 C ATOM 122 O MET A 9 1.143 7.260 -7.870 1.00 0.00 O ATOM 123 CB MET A 9 -2.237 6.597 -8.639 1.00 0.00 C ATOM 124 CG MET A 9 -1.622 6.019 -9.918 1.00 0.00 C ATOM 125 SD MET A 9 -2.734 4.959 -10.878 1.00 0.00 S ATOM 126 CE MET A 9 -1.596 4.471 -12.204 1.00 0.00 C ATOM 0 H MET A 9 -2.756 8.551 -7.225 1.00 0.00 H new ATOM 0 HA MET A 9 -0.968 6.342 -6.935 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.828 5.816 -8.160 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.928 7.392 -8.920 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.291 6.843 -10.550 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.735 5.445 -9.651 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.111 3.809 -12.900 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.253 5.359 -12.734 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.739 3.951 -11.775 1.00 0.00 H new ATOM 134 N LYS A 10 -0.087 8.597 -9.179 1.00 0.00 N ATOM 135 CA LYS A 10 1.004 9.115 -10.025 1.00 0.00 C ATOM 136 C LYS A 10 1.970 10.063 -9.280 1.00 0.00 C ATOM 137 O LYS A 10 2.736 10.793 -9.907 1.00 0.00 O ATOM 138 CB LYS A 10 0.367 9.686 -11.313 1.00 0.00 C ATOM 139 CG LYS A 10 -0.606 10.856 -11.080 1.00 0.00 C ATOM 140 CD LYS A 10 -1.866 10.808 -11.958 1.00 0.00 C ATOM 141 CE LYS A 10 -2.733 12.063 -11.786 1.00 0.00 C ATOM 142 NZ LYS A 10 -2.106 13.267 -12.391 1.00 0.00 N ATOM 0 H LYS A 10 -0.986 9.030 -9.390 1.00 0.00 H new ATOM 0 HA LYS A 10 1.678 8.307 -10.310 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.162 10.019 -11.980 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.165 8.885 -11.826 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.906 10.862 -10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.082 11.793 -11.266 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.576 10.708 -13.004 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.452 9.925 -11.704 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.708 11.894 -12.244 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.906 12.240 -10.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.782 14.057 -12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.256 13.525 -11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.841 13.063 -13.376 1.00 0.00 H new ATOM 152 N LEU A 11 1.921 10.047 -7.942 1.00 0.00 N ATOM 153 CA LEU A 11 2.601 10.925 -6.989 1.00 0.00 C ATOM 154 C LEU A 11 3.380 10.132 -5.943 1.00 0.00 C ATOM 155 O LEU A 11 4.469 10.571 -5.569 1.00 0.00 O ATOM 156 CB LEU A 11 1.594 11.835 -6.255 1.00 0.00 C ATOM 157 CG LEU A 11 0.906 12.944 -7.068 1.00 0.00 C ATOM 158 CD1 LEU A 11 1.917 13.851 -7.763 1.00 0.00 C ATOM 159 CD2 LEU A 11 -0.032 12.385 -8.129 1.00 0.00 C ATOM 0 H LEU A 11 1.351 9.354 -7.457 1.00 0.00 H new ATOM 0 HA LEU A 11 3.295 11.531 -7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.817 11.200 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.114 12.305 -5.420 1.00 0.00 H new ATOM 0 HG LEU A 11 0.331 13.519 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.389 14.620 -8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.556 14.322 -7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.529 13.259 -8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.494 13.207 -8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.533 11.760 -8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.808 11.787 -7.650 1.00 0.00 H new ATOM 170 N ILE A 12 2.889 8.958 -5.500 1.00 0.00 N ATOM 171 CA ILE A 12 3.648 8.176 -4.501 1.00 0.00 C ATOM 172 C ILE A 12 5.024 7.755 -5.026 1.00 0.00 C ATOM 173 O ILE A 12 5.980 7.673 -4.259 1.00 0.00 O ATOM 174 CB ILE A 12 2.895 6.925 -4.010 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.323 6.076 -5.170 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.820 7.298 -2.984 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.635 4.592 -4.967 1.00 0.00 C ATOM 0 H ILE A 12 2.008 8.542 -5.802 1.00 0.00 H new ATOM 0 HA ILE A 12 3.774 8.851 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 12 3.626 6.289 -3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.244 6.219 -5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.746 6.414 -6.116 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.304 6.397 -2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.288 7.783 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.103 7.980 -3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.222 4.017 -5.796 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.715 4.449 -4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.190 4.251 -4.032 1.00 0.00 H new ATOM 188 N LYS A 13 5.158 7.555 -6.340 1.00 0.00 N ATOM 189 CA LYS A 13 6.412 7.122 -6.986 1.00 0.00 C ATOM 190 C LYS A 13 7.202 8.266 -7.625 1.00 0.00 C ATOM 191 O LYS A 13 8.361 8.102 -7.982 1.00 0.00 O ATOM 192 CB LYS A 13 6.123 5.941 -7.932 1.00 0.00 C ATOM 193 CG LYS A 13 4.941 6.111 -8.904 1.00 0.00 C ATOM 194 CD LYS A 13 5.124 7.120 -10.049 1.00 0.00 C ATOM 195 CE LYS A 13 6.343 6.806 -10.924 1.00 0.00 C ATOM 196 NZ LYS A 13 6.441 7.740 -12.075 1.00 0.00 N ATOM 0 H LYS A 13 4.391 7.690 -6.999 1.00 0.00 H new ATOM 0 HA LYS A 13 7.091 6.764 -6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.021 5.746 -8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.940 5.055 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.718 5.138 -9.341 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.066 6.408 -8.326 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.228 7.126 -10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.229 8.122 -9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.250 6.871 -10.323 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.276 5.781 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.276 7.500 -12.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.586 7.660 -12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.530 8.715 -11.724 1.00 0.00 H new ATOM 206 N GLU A 14 6.609 9.448 -7.706 1.00 0.00 N ATOM 207 CA GLU A 14 7.215 10.674 -8.238 1.00 0.00 C ATOM 208 C GLU A 14 7.954 11.460 -7.143 1.00 0.00 C ATOM 209 O GLU A 14 8.825 12.276 -7.453 1.00 0.00 O ATOM 210 CB GLU A 14 6.130 11.514 -8.931 1.00 0.00 C ATOM 211 CG GLU A 14 6.713 12.640 -9.799 1.00 0.00 C ATOM 212 CD GLU A 14 5.639 13.302 -10.682 1.00 0.00 C ATOM 213 OE1 GLU A 14 5.011 14.298 -10.244 1.00 0.00 O ATOM 214 OE2 GLU A 14 5.446 12.857 -11.842 1.00 0.00 O ATOM 0 H GLU A 14 5.650 9.592 -7.390 1.00 0.00 H new ATOM 0 HA GLU A 14 7.971 10.411 -8.978 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.515 10.863 -9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.474 11.946 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.169 13.393 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.505 12.238 -10.431 1.00 0.00 H new ATOM 219 N ILE A 15 7.683 11.161 -5.863 1.00 0.00 N ATOM 220 CA ILE A 15 8.465 11.646 -4.728 1.00 0.00 C ATOM 221 C ILE A 15 9.392 10.527 -4.255 1.00 0.00 C ATOM 222 O ILE A 15 10.597 10.737 -4.199 1.00 0.00 O ATOM 223 CB ILE A 15 7.569 12.243 -3.621 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.716 11.195 -2.872 1.00 0.00 C ATOM 225 CG2 ILE A 15 6.667 13.351 -4.193 1.00 0.00 C ATOM 226 CD1 ILE A 15 7.348 10.845 -1.522 1.00 0.00 C ATOM 0 H ILE A 15 6.901 10.566 -5.589 1.00 0.00 H new ATOM 0 HA ILE A 15 9.093 12.482 -5.036 1.00 0.00 H new ATOM 0 HB ILE A 15 8.251 12.665 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.709 11.582 -2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.622 10.295 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.043 13.759 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.286 14.144 -4.612 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.032 12.935 -4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.731 10.106 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.346 10.436 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.418 11.744 -0.909 1.00 0.00 H new ATOM 237 N VAL A 16 8.902 9.309 -3.987 1.00 0.00 N ATOM 238 CA VAL A 16 9.752 8.283 -3.371 1.00 0.00 C ATOM 239 C VAL A 16 10.913 7.898 -4.289 1.00 0.00 C ATOM 240 O VAL A 16 12.028 7.687 -3.807 1.00 0.00 O ATOM 241 CB VAL A 16 8.963 7.028 -2.961 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.915 5.986 -2.368 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.923 7.331 -1.878 1.00 0.00 C ATOM 0 H VAL A 16 7.945 9.015 -4.182 1.00 0.00 H new ATOM 0 HA VAL A 16 10.154 8.728 -2.461 1.00 0.00 H new ATOM 0 HB VAL A 16 8.467 6.666 -3.861 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.350 5.100 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.664 5.713 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.409 6.403 -1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.390 6.416 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.424 7.722 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.215 8.071 -2.251 1.00 0.00 H new ATOM 253 N GLU A 17 10.699 7.874 -5.613 1.00 0.00 N ATOM 254 CA GLU A 17 11.797 7.521 -6.535 1.00 0.00 C ATOM 255 C GLU A 17 12.747 8.699 -6.816 1.00 0.00 C ATOM 256 O GLU A 17 13.733 8.542 -7.543 1.00 0.00 O ATOM 257 CB GLU A 17 11.281 6.906 -7.849 1.00 0.00 C ATOM 258 CG GLU A 17 10.345 5.698 -7.675 1.00 0.00 C ATOM 259 CD GLU A 17 11.053 4.516 -7.000 1.00 0.00 C ATOM 260 OE1 GLU A 17 11.761 3.742 -7.688 1.00 0.00 O ATOM 261 OE2 GLU A 17 10.916 4.338 -5.768 1.00 0.00 O ATOM 0 H GLU A 17 9.808 8.087 -6.062 1.00 0.00 H new ATOM 0 HA GLU A 17 12.379 6.759 -6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.755 7.677 -8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.137 6.600 -8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.481 5.992 -7.079 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.969 5.387 -8.650 1.00 0.00 H new ATOM 266 N ASN A 18 12.477 9.871 -6.231 1.00 0.00 N ATOM 267 CA ASN A 18 13.214 11.111 -6.430 1.00 0.00 C ATOM 268 C ASN A 18 14.033 11.531 -5.191 1.00 0.00 C ATOM 269 O ASN A 18 14.969 12.323 -5.313 1.00 0.00 O ATOM 270 CB ASN A 18 12.159 12.157 -6.812 1.00 0.00 C ATOM 271 CG ASN A 18 12.731 13.540 -7.033 1.00 0.00 C ATOM 272 OD1 ASN A 18 13.226 13.883 -8.100 1.00 0.00 O ATOM 273 ND2 ASN A 18 12.673 14.379 -6.025 1.00 0.00 N ATOM 0 H ASN A 18 11.702 9.979 -5.577 1.00 0.00 H new ATOM 0 HA ASN A 18 13.965 10.995 -7.212 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.651 11.834 -7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.406 12.206 -6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.042 15.325 -6.127 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.259 14.085 -5.140 1.00 0.00 H new ATOM 279 N GLU A 19 13.694 11.011 -4.005 1.00 0.00 N ATOM 280 CA GLU A 19 14.202 11.510 -2.720 1.00 0.00 C ATOM 281 C GLU A 19 15.443 10.742 -2.250 1.00 0.00 C ATOM 282 O GLU A 19 16.561 11.067 -2.658 1.00 0.00 O ATOM 283 CB GLU A 19 13.078 11.498 -1.666 1.00 0.00 C ATOM 284 CG GLU A 19 11.957 12.513 -1.912 1.00 0.00 C ATOM 285 CD GLU A 19 12.425 13.970 -1.742 1.00 0.00 C ATOM 286 OE1 GLU A 19 12.637 14.430 -0.592 1.00 0.00 O ATOM 287 OE2 GLU A 19 12.578 14.675 -2.770 1.00 0.00 O ATOM 0 H GLU A 19 13.053 10.224 -3.909 1.00 0.00 H new ATOM 0 HA GLU A 19 14.525 12.541 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.643 10.499 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.515 11.691 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.565 12.377 -2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.137 12.316 -1.221 1.00 0.00 H new ATOM 292 N ASP A 20 15.264 9.730 -1.398 1.00 0.00 N ATOM 293 CA ASP A 20 16.347 8.974 -0.787 1.00 0.00 C ATOM 294 C ASP A 20 16.009 7.482 -0.729 1.00 0.00 C ATOM 295 O ASP A 20 15.554 6.953 0.285 1.00 0.00 O ATOM 296 CB ASP A 20 16.700 9.548 0.597 1.00 0.00 C ATOM 297 CG ASP A 20 17.587 10.796 0.503 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.795 10.639 0.198 1.00 0.00 O ATOM 299 OD2 ASP A 20 17.103 11.922 0.773 1.00 0.00 O ATOM 0 H ASP A 20 14.339 9.410 -1.111 1.00 0.00 H new ATOM 0 HA ASP A 20 17.235 9.073 -1.411 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.782 9.797 1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 20 17.212 8.785 1.184 1.00 0.00 H new ATOM 303 N LYS A 21 16.296 6.775 -1.822 1.00 0.00 N ATOM 304 CA LYS A 21 16.273 5.302 -1.896 1.00 0.00 C ATOM 305 C LYS A 21 17.214 4.625 -0.882 1.00 0.00 C ATOM 306 O LYS A 21 16.977 3.480 -0.496 1.00 0.00 O ATOM 307 CB LYS A 21 16.604 4.853 -3.329 1.00 0.00 C ATOM 308 CG LYS A 21 15.477 5.200 -4.315 1.00 0.00 C ATOM 309 CD LYS A 21 15.758 4.599 -5.699 1.00 0.00 C ATOM 310 CE LYS A 21 14.566 4.863 -6.620 1.00 0.00 C ATOM 311 NZ LYS A 21 14.734 4.202 -7.936 1.00 0.00 N ATOM 0 H LYS A 21 16.558 7.214 -2.704 1.00 0.00 H new ATOM 0 HA LYS A 21 15.266 4.982 -1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.529 5.329 -3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 21 16.778 3.777 -3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.527 4.823 -3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.380 6.283 -4.397 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.662 5.038 -6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.934 3.527 -5.613 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.653 4.503 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.448 5.937 -6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.814 3.849 -8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.110 4.887 -8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.397 3.406 -7.843 1.00 0.00 H new ATOM 321 N ARG A 22 18.237 5.345 -0.402 1.00 0.00 N ATOM 322 CA ARG A 22 19.125 4.990 0.723 1.00 0.00 C ATOM 323 C ARG A 22 18.447 5.002 2.101 1.00 0.00 C ATOM 324 O ARG A 22 18.932 4.334 3.016 1.00 0.00 O ATOM 325 CB ARG A 22 20.332 5.949 0.716 1.00 0.00 C ATOM 326 CG ARG A 22 19.929 7.433 0.827 1.00 0.00 C ATOM 327 CD ARG A 22 21.131 8.345 1.060 1.00 0.00 C ATOM 328 NE ARG A 22 22.058 8.369 -0.086 1.00 0.00 N ATOM 329 CZ ARG A 22 22.005 9.147 -1.155 1.00 0.00 C ATOM 330 NH1 ARG A 22 21.065 10.029 -1.347 1.00 0.00 N ATOM 331 NH2 ARG A 22 22.920 9.046 -2.077 1.00 0.00 N ATOM 0 H ARG A 22 18.485 6.246 -0.811 1.00 0.00 H new ATOM 0 HA ARG A 22 19.434 3.956 0.568 1.00 0.00 H new ATOM 0 HB2 ARG A 22 20.994 5.696 1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.900 5.801 -0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 22 19.417 7.737 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 22 19.220 7.554 1.646 1.00 0.00 H new ATOM 0 HD2 ARG A 22 20.780 9.358 1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 22 21.667 8.012 1.949 1.00 0.00 H new ATOM 0 HE ARG A 22 22.833 7.707 -0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 22 20.324 10.144 -0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 22 21.070 10.605 -2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 22 23.675 8.368 -1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 22 22.881 9.645 -2.902 1.00 0.00 H new ATOM 342 N LYS A 23 17.352 5.757 2.256 1.00 0.00 N ATOM 343 CA LYS A 23 16.562 5.963 3.492 1.00 0.00 C ATOM 344 C LYS A 23 15.071 6.160 3.133 1.00 0.00 C ATOM 345 O LYS A 23 14.565 7.286 3.210 1.00 0.00 O ATOM 346 CB LYS A 23 17.119 7.178 4.270 1.00 0.00 C ATOM 347 CG LYS A 23 18.535 6.977 4.839 1.00 0.00 C ATOM 348 CD LYS A 23 19.015 8.184 5.658 1.00 0.00 C ATOM 349 CE LYS A 23 19.246 9.414 4.769 1.00 0.00 C ATOM 350 NZ LYS A 23 19.753 10.565 5.557 1.00 0.00 N ATOM 0 H LYS A 23 16.962 6.279 1.471 1.00 0.00 H new ATOM 0 HA LYS A 23 16.642 5.084 4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 23 17.126 8.044 3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 23 16.441 7.410 5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 23 18.548 6.087 5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 23 19.231 6.798 4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 23 18.277 8.421 6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.940 7.929 6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.959 9.167 3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.313 9.690 4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.899 11.380 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.061 10.815 6.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 20.656 10.308 6.005 1.00 0.00 H new ATOM 360 N PRO A 24 14.367 5.103 2.682 1.00 0.00 N ATOM 361 CA PRO A 24 13.065 5.229 2.029 1.00 0.00 C ATOM 362 C PRO A 24 11.902 5.496 3.007 1.00 0.00 C ATOM 363 O PRO A 24 12.051 5.433 4.232 1.00 0.00 O ATOM 364 CB PRO A 24 12.869 3.898 1.305 1.00 0.00 C ATOM 365 CG PRO A 24 13.532 2.920 2.267 1.00 0.00 C ATOM 366 CD PRO A 24 14.746 3.700 2.758 1.00 0.00 C ATOM 0 HA PRO A 24 13.056 6.091 1.362 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.815 3.668 1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.344 3.892 0.324 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.868 2.647 3.087 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.820 1.995 1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.006 3.419 3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.620 3.496 2.139 1.00 0.00 H new ATOM 371 N TYR A 25 10.719 5.750 2.443 1.00 0.00 N ATOM 372 CA TYR A 25 9.442 5.908 3.155 1.00 0.00 C ATOM 373 C TYR A 25 8.695 4.564 3.318 1.00 0.00 C ATOM 374 O TYR A 25 9.192 3.494 2.947 1.00 0.00 O ATOM 375 CB TYR A 25 8.580 6.952 2.417 1.00 0.00 C ATOM 376 CG TYR A 25 9.291 8.265 2.138 1.00 0.00 C ATOM 377 CD1 TYR A 25 10.092 8.421 0.989 1.00 0.00 C ATOM 378 CD2 TYR A 25 9.177 9.324 3.054 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.762 9.634 0.746 1.00 0.00 C ATOM 380 CE2 TYR A 25 9.861 10.534 2.833 1.00 0.00 C ATOM 381 CZ TYR A 25 10.654 10.694 1.676 1.00 0.00 C ATOM 382 OH TYR A 25 11.320 11.858 1.459 1.00 0.00 O ATOM 0 H TYR A 25 10.617 5.856 1.434 1.00 0.00 H new ATOM 0 HA TYR A 25 9.647 6.261 4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 25 8.244 6.526 1.471 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.688 7.154 3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.192 7.604 0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 25 8.561 9.209 3.933 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.357 9.755 -0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.779 11.339 3.548 1.00 0.00 H new ATOM 0 HH TYR A 25 11.137 12.481 2.193 1.00 0.00 H new ATOM 391 N SER A 26 7.480 4.625 3.861 1.00 0.00 N ATOM 392 CA SER A 26 6.506 3.521 3.973 1.00 0.00 C ATOM 393 C SER A 26 5.102 4.049 3.690 1.00 0.00 C ATOM 394 O SER A 26 4.935 5.253 3.510 1.00 0.00 O ATOM 395 CB SER A 26 6.557 2.866 5.362 1.00 0.00 C ATOM 396 OG SER A 26 6.466 3.821 6.405 1.00 0.00 O ATOM 0 H SER A 26 7.121 5.492 4.260 1.00 0.00 H new ATOM 0 HA SER A 26 6.765 2.758 3.239 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.741 2.150 5.455 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.486 2.306 5.464 1.00 0.00 H new ATOM 0 HG SER A 26 6.500 3.364 7.271 1.00 0.00 H new ATOM 401 N ASP A 27 4.083 3.191 3.661 1.00 0.00 N ATOM 402 CA ASP A 27 2.677 3.593 3.528 1.00 0.00 C ATOM 403 C ASP A 27 2.250 4.708 4.501 1.00 0.00 C ATOM 404 O ASP A 27 1.664 5.699 4.072 1.00 0.00 O ATOM 405 CB ASP A 27 1.742 2.380 3.608 1.00 0.00 C ATOM 406 CG ASP A 27 1.829 1.556 4.907 1.00 0.00 C ATOM 407 OD1 ASP A 27 2.787 1.706 5.703 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.868 0.812 5.207 1.00 0.00 O ATOM 0 H ASP A 27 4.209 2.181 3.730 1.00 0.00 H new ATOM 0 HA ASP A 27 2.586 4.030 2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.716 2.727 3.487 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.958 1.722 2.766 1.00 0.00 H new ATOM 412 N GLN A 28 2.566 4.627 5.796 1.00 0.00 N ATOM 413 CA GLN A 28 2.315 5.715 6.730 1.00 0.00 C ATOM 414 C GLN A 28 3.065 6.980 6.302 1.00 0.00 C ATOM 415 O GLN A 28 2.468 8.054 6.227 1.00 0.00 O ATOM 416 CB GLN A 28 2.680 5.265 8.154 1.00 0.00 C ATOM 417 CG GLN A 28 2.642 6.398 9.187 1.00 0.00 C ATOM 418 CD GLN A 28 1.274 7.072 9.318 1.00 0.00 C ATOM 419 OE1 GLN A 28 0.427 6.673 10.108 1.00 0.00 O ATOM 420 NE2 GLN A 28 0.998 8.113 8.557 1.00 0.00 N ATOM 0 H GLN A 28 3.001 3.807 6.220 1.00 0.00 H new ATOM 0 HA GLN A 28 1.255 5.967 6.724 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.992 4.479 8.465 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.679 4.829 8.143 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.935 6.000 10.159 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.382 7.150 8.914 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.692 8.458 7.894 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.091 8.573 8.632 1.00 0.00 H new ATOM 427 N GLU A 29 4.365 6.901 6.037 1.00 0.00 N ATOM 428 CA GLU A 29 5.131 8.100 5.751 1.00 0.00 C ATOM 429 C GLU A 29 4.733 8.776 4.434 1.00 0.00 C ATOM 430 O GLU A 29 4.510 9.985 4.440 1.00 0.00 O ATOM 431 CB GLU A 29 6.622 7.805 5.884 1.00 0.00 C ATOM 432 CG GLU A 29 7.093 7.821 7.348 1.00 0.00 C ATOM 433 CD GLU A 29 7.169 9.254 7.924 1.00 0.00 C ATOM 434 OE1 GLU A 29 6.126 9.820 8.337 1.00 0.00 O ATOM 435 OE2 GLU A 29 8.287 9.824 7.972 1.00 0.00 O ATOM 0 H GLU A 29 4.900 6.033 6.015 1.00 0.00 H new ATOM 0 HA GLU A 29 4.884 8.853 6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.837 6.830 5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.188 8.542 5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.411 7.224 7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.074 7.352 7.417 1.00 0.00 H new ATOM 440 N ILE A 30 4.519 8.043 3.335 1.00 0.00 N ATOM 441 CA ILE A 30 3.955 8.626 2.107 1.00 0.00 C ATOM 442 C ILE A 30 2.562 9.223 2.345 1.00 0.00 C ATOM 443 O ILE A 30 2.313 10.335 1.886 1.00 0.00 O ATOM 444 CB ILE A 30 4.024 7.681 0.887 1.00 0.00 C ATOM 445 CG1 ILE A 30 3.080 6.468 0.993 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.484 7.276 0.636 1.00 0.00 C ATOM 447 CD1 ILE A 30 3.298 5.361 -0.049 1.00 0.00 C ATOM 0 H ILE A 30 4.727 7.047 3.269 1.00 0.00 H new ATOM 0 HA ILE A 30 4.602 9.460 1.838 1.00 0.00 H new ATOM 0 HB ILE A 30 3.658 8.229 0.019 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.188 6.033 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.053 6.822 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.534 6.609 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.080 8.167 0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.876 6.764 1.515 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.581 4.557 0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.158 5.770 -1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.311 4.968 0.044 1.00 0.00 H new ATOM 458 N ALA A 31 1.690 8.585 3.137 1.00 0.00 N ATOM 459 CA ALA A 31 0.384 9.170 3.488 1.00 0.00 C ATOM 460 C ALA A 31 0.527 10.507 4.246 1.00 0.00 C ATOM 461 O ALA A 31 -0.267 11.433 4.058 1.00 0.00 O ATOM 462 CB ALA A 31 -0.422 8.176 4.335 1.00 0.00 C ATOM 0 H ALA A 31 1.862 7.667 3.547 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.142 9.377 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.386 8.615 4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.580 7.259 3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.127 7.948 5.249 1.00 0.00 H new ATOM 468 N ASN A 32 1.553 10.615 5.093 1.00 0.00 N ATOM 469 CA ASN A 32 1.848 11.772 5.929 1.00 0.00 C ATOM 470 C ASN A 32 2.273 12.994 5.104 1.00 0.00 C ATOM 471 O ASN A 32 1.690 14.067 5.244 1.00 0.00 O ATOM 472 CB ASN A 32 2.901 11.333 6.961 1.00 0.00 C ATOM 473 CG ASN A 32 3.294 12.378 7.988 1.00 0.00 C ATOM 474 OD1 ASN A 32 2.593 13.346 8.245 1.00 0.00 O ATOM 475 ND2 ASN A 32 4.427 12.203 8.628 1.00 0.00 N ATOM 0 H ASN A 32 2.229 9.862 5.218 1.00 0.00 H new ATOM 0 HA ASN A 32 0.951 12.106 6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.523 10.457 7.488 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.798 11.021 6.426 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.721 12.874 9.338 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.014 11.396 8.415 1.00 0.00 H new ATOM 481 N ILE A 33 3.251 12.847 4.210 1.00 0.00 N ATOM 482 CA ILE A 33 3.753 13.959 3.371 1.00 0.00 C ATOM 483 C ILE A 33 2.697 14.425 2.360 1.00 0.00 C ATOM 484 O ILE A 33 2.594 15.614 2.056 1.00 0.00 O ATOM 485 CB ILE A 33 5.027 13.533 2.621 1.00 0.00 C ATOM 486 CG1 ILE A 33 6.087 12.941 3.578 1.00 0.00 C ATOM 487 CG2 ILE A 33 5.667 14.669 1.813 1.00 0.00 C ATOM 488 CD1 ILE A 33 6.556 11.609 3.015 1.00 0.00 C ATOM 0 H ILE A 33 3.723 11.959 4.040 1.00 0.00 H new ATOM 0 HA ILE A 33 3.982 14.791 4.037 1.00 0.00 H new ATOM 0 HB ILE A 33 4.695 12.767 1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.929 13.626 3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.664 12.804 4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.560 14.299 1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.957 15.032 1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.939 15.484 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.305 11.177 3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.708 10.929 2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.992 11.764 2.028 1.00 0.00 H new ATOM 499 N LEU A 34 1.861 13.502 1.877 1.00 0.00 N ATOM 500 CA LEU A 34 0.734 13.775 0.978 1.00 0.00 C ATOM 501 C LEU A 34 -0.325 14.662 1.638 1.00 0.00 C ATOM 502 O LEU A 34 -1.046 15.387 0.949 1.00 0.00 O ATOM 503 CB LEU A 34 0.155 12.427 0.502 1.00 0.00 C ATOM 504 CG LEU A 34 0.761 11.875 -0.807 1.00 0.00 C ATOM 505 CD1 LEU A 34 2.270 12.104 -0.960 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.462 10.377 -0.937 1.00 0.00 C ATOM 0 H LEU A 34 1.952 12.513 2.108 1.00 0.00 H new ATOM 0 HA LEU A 34 1.085 14.340 0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.301 11.689 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.921 12.540 0.366 1.00 0.00 H new ATOM 0 HG LEU A 34 0.283 12.442 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.608 11.684 -1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.479 13.174 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.797 11.618 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.894 9.999 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.896 9.845 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.617 10.221 -0.950 1.00 0.00 H new ATOM 517 N LYS A 35 -0.375 14.679 2.972 1.00 0.00 N ATOM 518 CA LYS A 35 -1.300 15.552 3.712 1.00 0.00 C ATOM 519 C LYS A 35 -0.771 16.983 3.874 1.00 0.00 C ATOM 520 O LYS A 35 -1.539 17.883 4.210 1.00 0.00 O ATOM 521 CB LYS A 35 -1.684 14.868 5.039 1.00 0.00 C ATOM 522 CG LYS A 35 -0.983 15.458 6.274 1.00 0.00 C ATOM 523 CD LYS A 35 -1.033 14.489 7.460 1.00 0.00 C ATOM 524 CE LYS A 35 -0.557 15.144 8.764 1.00 0.00 C ATOM 525 NZ LYS A 35 0.870 15.554 8.706 1.00 0.00 N ATOM 0 H LYS A 35 0.215 14.097 3.567 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.211 15.683 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.763 14.944 5.176 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.445 13.807 4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.055 15.685 6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.459 16.399 6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.053 14.127 7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.411 13.620 7.244 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.174 16.017 8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.698 14.447 9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.143 15.991 9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.464 14.719 8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.003 16.240 7.936 1.00 0.00 H new ATOM 535 N GLU A 36 0.522 17.205 3.616 1.00 0.00 N ATOM 536 CA GLU A 36 1.161 18.519 3.755 1.00 0.00 C ATOM 537 C GLU A 36 0.991 19.381 2.496 1.00 0.00 C ATOM 538 O GLU A 36 1.249 20.589 2.553 1.00 0.00 O ATOM 539 CB GLU A 36 2.659 18.372 4.078 1.00 0.00 C ATOM 540 CG GLU A 36 2.920 17.585 5.368 1.00 0.00 C ATOM 541 CD GLU A 36 4.397 17.690 5.796 1.00 0.00 C ATOM 542 OE1 GLU A 36 5.257 16.977 5.222 1.00 0.00 O ATOM 543 OE2 GLU A 36 4.711 18.490 6.713 1.00 0.00 O ATOM 0 H GLU A 36 1.160 16.473 3.303 1.00 0.00 H new ATOM 0 HA GLU A 36 0.660 19.023 4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.157 17.872 3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.105 19.363 4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.280 17.965 6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.656 16.538 5.218 1.00 0.00 H new ATOM 548 N LYS A 37 0.559 18.785 1.371 1.00 0.00 N ATOM 549 CA LYS A 37 0.511 19.465 0.065 1.00 0.00 C ATOM 550 C LYS A 37 -0.841 19.403 -0.648 1.00 0.00 C ATOM 551 O LYS A 37 -1.141 20.323 -1.414 1.00 0.00 O ATOM 552 CB LYS A 37 1.689 18.991 -0.791 1.00 0.00 C ATOM 553 CG LYS A 37 1.687 17.474 -1.023 1.00 0.00 C ATOM 554 CD LYS A 37 2.987 17.021 -1.699 1.00 0.00 C ATOM 555 CE LYS A 37 4.103 16.982 -0.652 1.00 0.00 C ATOM 556 NZ LYS A 37 5.440 16.815 -1.276 1.00 0.00 N ATOM 0 H LYS A 37 0.233 17.819 1.342 1.00 0.00 H new ATOM 0 HA LYS A 37 0.619 20.534 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.660 19.501 -1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.622 19.278 -0.306 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.568 16.957 -0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.835 17.198 -1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.856 16.036 -2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.251 17.705 -2.506 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.087 17.903 -0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.921 16.162 0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.169 16.793 -0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.464 15.924 -1.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.625 17.611 -1.920 1.00 0.00 H new ATOM 566 N GLY A 38 -1.709 18.438 -0.322 1.00 0.00 N ATOM 567 CA GLY A 38 -3.157 18.654 -0.436 1.00 0.00 C ATOM 568 C GLY A 38 -4.000 17.393 -0.567 1.00 0.00 C ATOM 569 O GLY A 38 -5.220 17.494 -0.715 1.00 0.00 O ATOM 0 H GLY A 38 -1.441 17.514 0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.494 19.206 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.345 19.287 -1.303 1.00 0.00 H new ATOM 573 N PHE A 39 -3.381 16.209 -0.541 1.00 0.00 N ATOM 574 CA PHE A 39 -4.065 14.971 -0.880 1.00 0.00 C ATOM 575 C PHE A 39 -4.813 14.369 0.309 1.00 0.00 C ATOM 576 O PHE A 39 -5.826 13.695 0.116 1.00 0.00 O ATOM 577 CB PHE A 39 -3.050 13.976 -1.450 1.00 0.00 C ATOM 578 CG PHE A 39 -2.216 14.528 -2.586 1.00 0.00 C ATOM 579 CD1 PHE A 39 -2.785 14.720 -3.860 1.00 0.00 C ATOM 580 CD2 PHE A 39 -0.875 14.885 -2.357 1.00 0.00 C ATOM 581 CE1 PHE A 39 -2.024 15.291 -4.892 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.113 15.440 -3.397 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.685 15.654 -4.663 1.00 0.00 C ATOM 0 H PHE A 39 -2.401 16.088 -0.286 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.822 15.197 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.385 13.652 -0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.582 13.091 -1.800 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.808 14.427 -4.043 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.433 14.733 -1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.468 15.452 -5.863 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.920 15.704 -3.223 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.099 16.095 -5.456 1.00 0.00 H new ATOM 592 N LYS A 40 -4.293 14.626 1.525 1.00 0.00 N ATOM 593 CA LYS A 40 -4.668 14.108 2.853 1.00 0.00 C ATOM 594 C LYS A 40 -5.281 12.702 2.829 1.00 0.00 C ATOM 595 O LYS A 40 -6.250 12.409 3.532 1.00 0.00 O ATOM 596 CB LYS A 40 -5.484 15.165 3.620 1.00 0.00 C ATOM 597 CG LYS A 40 -6.730 15.634 2.850 1.00 0.00 C ATOM 598 CD LYS A 40 -7.920 15.960 3.765 1.00 0.00 C ATOM 599 CE LYS A 40 -8.484 14.688 4.410 1.00 0.00 C ATOM 600 NZ LYS A 40 -9.612 14.997 5.323 1.00 0.00 N ATOM 0 H LYS A 40 -3.511 15.276 1.608 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.752 13.943 3.421 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.791 14.753 4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.848 16.025 3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.476 16.518 2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.025 14.859 2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.605 16.657 4.542 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.701 16.456 3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.821 14.003 3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.695 14.179 4.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.970 14.116 5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.283 15.631 6.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.374 15.461 4.789 1.00 0.00 H new ATOM 610 N VAL A 41 -4.689 11.831 2.008 1.00 0.00 N ATOM 611 CA VAL A 41 -5.102 10.424 1.851 1.00 0.00 C ATOM 612 C VAL A 41 -4.525 9.618 3.029 1.00 0.00 C ATOM 613 O VAL A 41 -3.394 9.846 3.469 1.00 0.00 O ATOM 614 CB VAL A 41 -4.729 9.852 0.463 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.270 10.169 0.100 1.00 0.00 C ATOM 616 CG2 VAL A 41 -4.866 8.328 0.381 1.00 0.00 C ATOM 0 H VAL A 41 -3.894 12.083 1.421 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.189 10.350 1.882 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.430 10.326 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.041 9.753 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.127 11.249 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.606 9.730 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.590 7.991 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.208 7.864 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.898 8.044 0.587 1.00 0.00 H new ATOM 626 N ALA A 42 -5.311 8.694 3.564 1.00 0.00 N ATOM 627 CA ALA A 42 -4.976 7.772 4.635 1.00 0.00 C ATOM 628 C ALA A 42 -4.157 6.571 4.142 1.00 0.00 C ATOM 629 O ALA A 42 -4.111 6.208 2.962 1.00 0.00 O ATOM 630 CB ALA A 42 -6.265 7.293 5.320 1.00 0.00 C ATOM 0 H ALA A 42 -6.268 8.562 3.236 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.351 8.308 5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.014 6.601 6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.798 8.150 5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.898 6.788 4.591 1.00 0.00 H new ATOM 636 N ARG A 43 -3.544 5.893 5.108 1.00 0.00 N ATOM 637 CA ARG A 43 -2.590 4.804 4.908 1.00 0.00 C ATOM 638 C ARG A 43 -3.168 3.591 4.187 1.00 0.00 C ATOM 639 O ARG A 43 -2.440 2.936 3.451 1.00 0.00 O ATOM 640 CB ARG A 43 -2.049 4.446 6.293 1.00 0.00 C ATOM 641 CG ARG A 43 -0.863 3.476 6.303 1.00 0.00 C ATOM 642 CD ARG A 43 -0.724 2.833 7.692 1.00 0.00 C ATOM 643 NE ARG A 43 0.458 1.966 7.740 1.00 0.00 N ATOM 644 CZ ARG A 43 1.360 1.845 8.690 1.00 0.00 C ATOM 645 NH1 ARG A 43 1.185 2.281 9.905 1.00 0.00 N ATOM 646 NH2 ARG A 43 2.497 1.306 8.400 1.00 0.00 N ATOM 0 H ARG A 43 -3.705 6.096 6.095 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.795 5.137 4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.749 5.365 6.796 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.858 4.011 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.008 2.703 5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.054 4.006 6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.644 3.610 8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.618 2.253 7.922 1.00 0.00 H new ATOM 0 HE ARG A 43 0.601 1.374 6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.313 2.744 10.160 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.920 2.159 10.601 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.681 0.984 7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.211 1.202 9.121 1.00 0.00 H new ATOM 657 N ARG A 44 -4.466 3.296 4.325 1.00 0.00 N ATOM 658 CA ARG A 44 -5.060 2.083 3.726 1.00 0.00 C ATOM 659 C ARG A 44 -5.172 2.197 2.214 1.00 0.00 C ATOM 660 O ARG A 44 -5.051 1.201 1.507 1.00 0.00 O ATOM 661 CB ARG A 44 -6.433 1.763 4.347 1.00 0.00 C ATOM 662 CG ARG A 44 -6.370 0.474 5.179 1.00 0.00 C ATOM 663 CD ARG A 44 -5.595 0.676 6.485 1.00 0.00 C ATOM 664 NE ARG A 44 -5.293 -0.604 7.154 1.00 0.00 N ATOM 665 CZ ARG A 44 -4.863 -0.758 8.392 1.00 0.00 C ATOM 666 NH1 ARG A 44 -4.778 0.230 9.236 1.00 0.00 N ATOM 667 NH2 ARG A 44 -4.499 -1.933 8.806 1.00 0.00 N ATOM 0 H ARG A 44 -5.127 3.875 4.843 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.385 1.257 3.949 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.754 2.592 4.977 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.177 1.656 3.558 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.382 0.138 5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.896 -0.314 4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.665 1.204 6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.176 1.308 7.157 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.430 -1.453 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.050 1.170 8.949 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.440 0.063 10.184 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.546 -2.733 8.175 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.166 -2.056 9.762 1.00 0.00 H new ATOM 678 N THR A 45 -5.365 3.410 1.717 1.00 0.00 N ATOM 679 CA THR A 45 -5.507 3.739 0.314 1.00 0.00 C ATOM 680 C THR A 45 -4.141 3.778 -0.317 1.00 0.00 C ATOM 681 O THR A 45 -3.890 3.143 -1.341 1.00 0.00 O ATOM 682 CB THR A 45 -6.131 5.130 0.230 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.189 5.231 1.155 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.612 5.414 -1.181 1.00 0.00 C ATOM 0 H THR A 45 -5.430 4.232 2.317 1.00 0.00 H new ATOM 0 HA THR A 45 -6.126 3.003 -0.199 1.00 0.00 H new ATOM 0 HB THR A 45 -5.377 5.876 0.480 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.587 6.125 1.101 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.054 6.410 -1.221 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.769 5.363 -1.870 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.359 4.674 -1.467 1.00 0.00 H new ATOM 692 N VAL A 46 -3.234 4.494 0.347 1.00 0.00 N ATOM 693 CA VAL A 46 -1.891 4.702 -0.141 1.00 0.00 C ATOM 694 C VAL A 46 -1.121 3.366 -0.199 1.00 0.00 C ATOM 695 O VAL A 46 -0.308 3.148 -1.101 1.00 0.00 O ATOM 696 CB VAL A 46 -1.205 5.800 0.694 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.258 5.248 1.743 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.443 6.770 -0.204 1.00 0.00 C ATOM 0 H VAL A 46 -3.422 4.944 1.243 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.908 5.065 -1.169 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.008 6.322 1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.192 6.072 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.810 4.608 2.431 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.525 4.667 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.033 7.536 0.409 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.319 6.227 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.136 7.241 -0.901 1.00 0.00 H new ATOM 708 N ALA A 47 -1.429 2.439 0.724 1.00 0.00 N ATOM 709 CA ALA A 47 -0.816 1.119 0.828 1.00 0.00 C ATOM 710 C ALA A 47 -1.280 0.172 -0.283 1.00 0.00 C ATOM 711 O ALA A 47 -0.497 -0.626 -0.800 1.00 0.00 O ATOM 712 CB ALA A 47 -1.171 0.512 2.186 1.00 0.00 C ATOM 0 H ALA A 47 -2.137 2.601 1.440 1.00 0.00 H new ATOM 0 HA ALA A 47 0.262 1.244 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.717 -0.475 2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.795 1.156 2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.254 0.422 2.273 1.00 0.00 H new ATOM 718 N LYS A 48 -2.557 0.271 -0.664 1.00 0.00 N ATOM 719 CA LYS A 48 -3.162 -0.471 -1.773 1.00 0.00 C ATOM 720 C LYS A 48 -2.762 0.088 -3.147 1.00 0.00 C ATOM 721 O LYS A 48 -2.922 -0.592 -4.161 1.00 0.00 O ATOM 722 CB LYS A 48 -4.688 -0.472 -1.575 1.00 0.00 C ATOM 723 CG LYS A 48 -5.089 -1.369 -0.389 1.00 0.00 C ATOM 724 CD LYS A 48 -6.599 -1.309 -0.104 1.00 0.00 C ATOM 725 CE LYS A 48 -6.934 -1.504 1.382 1.00 0.00 C ATOM 726 NZ LYS A 48 -6.416 -2.785 1.930 1.00 0.00 N ATOM 0 H LYS A 48 -3.218 0.889 -0.194 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.787 -1.495 -1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.036 0.546 -1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.176 -0.824 -2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.801 -2.399 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.540 -1.060 0.501 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.988 -0.347 -0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.105 -2.077 -0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.518 -0.675 1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.016 -1.470 1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.701 -2.877 2.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.806 -3.579 1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.378 -2.796 1.865 1.00 0.00 H new ATOM 736 N TYR A 49 -2.210 1.303 -3.186 1.00 0.00 N ATOM 737 CA TYR A 49 -1.749 1.984 -4.399 1.00 0.00 C ATOM 738 C TYR A 49 -0.286 1.678 -4.705 1.00 0.00 C ATOM 739 O TYR A 49 0.006 1.217 -5.808 1.00 0.00 O ATOM 740 CB TYR A 49 -2.030 3.490 -4.301 1.00 0.00 C ATOM 741 CG TYR A 49 -3.409 3.858 -4.821 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.540 3.080 -4.494 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.547 4.956 -5.687 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.790 3.374 -5.064 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.794 5.253 -6.269 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.915 4.450 -5.969 1.00 0.00 C ATOM 747 OH TYR A 49 -7.118 4.708 -6.537 1.00 0.00 O ATOM 0 H TYR A 49 -2.066 1.860 -2.344 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.315 1.597 -5.246 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.940 3.806 -3.262 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.274 4.035 -4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.444 2.256 -3.803 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.691 5.576 -5.908 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.654 2.778 -4.810 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.892 6.092 -6.942 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.039 5.481 -7.135 1.00 0.00 H new ATOM 756 N ARG A 50 0.631 1.805 -3.734 1.00 0.00 N ATOM 757 CA ARG A 50 2.016 1.314 -3.907 1.00 0.00 C ATOM 758 C ARG A 50 2.082 -0.175 -4.276 1.00 0.00 C ATOM 759 O ARG A 50 3.032 -0.596 -4.932 1.00 0.00 O ATOM 760 CB ARG A 50 2.888 1.684 -2.690 1.00 0.00 C ATOM 761 CG ARG A 50 2.482 1.030 -1.359 1.00 0.00 C ATOM 762 CD ARG A 50 3.478 -0.006 -0.823 1.00 0.00 C ATOM 763 NE ARG A 50 3.521 -1.258 -1.607 1.00 0.00 N ATOM 764 CZ ARG A 50 2.829 -2.361 -1.372 1.00 0.00 C ATOM 765 NH1 ARG A 50 1.810 -2.423 -0.572 1.00 0.00 N ATOM 766 NH2 ARG A 50 3.123 -3.466 -1.980 1.00 0.00 N ATOM 0 H ARG A 50 0.447 2.238 -2.829 1.00 0.00 H new ATOM 0 HA ARG A 50 2.440 1.829 -4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.920 1.411 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.865 2.766 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.354 1.812 -0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.512 0.549 -1.487 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.474 0.436 -0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.220 -0.244 0.209 1.00 0.00 H new ATOM 0 HE ARG A 50 4.148 -1.273 -2.411 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.498 -1.587 -0.078 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.321 -3.308 -0.437 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.894 -3.491 -2.647 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.583 -4.311 -1.792 1.00 0.00 H new ATOM 777 N GLU A 51 1.038 -0.943 -3.954 1.00 0.00 N ATOM 778 CA GLU A 51 0.857 -2.335 -4.390 1.00 0.00 C ATOM 779 C GLU A 51 0.577 -2.453 -5.902 1.00 0.00 C ATOM 780 O GLU A 51 1.148 -3.315 -6.577 1.00 0.00 O ATOM 781 CB GLU A 51 -0.295 -2.967 -3.585 1.00 0.00 C ATOM 782 CG GLU A 51 -0.451 -4.475 -3.829 1.00 0.00 C ATOM 783 CD GLU A 51 -1.693 -5.088 -3.144 1.00 0.00 C ATOM 784 OE1 GLU A 51 -2.338 -4.447 -2.277 1.00 0.00 O ATOM 785 OE2 GLU A 51 -2.062 -6.233 -3.513 1.00 0.00 O ATOM 0 H GLU A 51 0.274 -0.608 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 51 1.789 -2.868 -4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.124 -2.794 -2.522 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.228 -2.466 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.512 -4.656 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.442 -4.987 -3.469 1.00 0.00 H new ATOM 790 N MET A 52 -0.315 -1.610 -6.435 1.00 0.00 N ATOM 791 CA MET A 52 -0.832 -1.722 -7.808 1.00 0.00 C ATOM 792 C MET A 52 0.045 -1.008 -8.847 1.00 0.00 C ATOM 793 O MET A 52 0.095 -1.435 -10.003 1.00 0.00 O ATOM 794 CB MET A 52 -2.299 -1.253 -7.872 1.00 0.00 C ATOM 795 CG MET A 52 -2.488 0.261 -8.033 1.00 0.00 C ATOM 796 SD MET A 52 -4.209 0.813 -7.889 1.00 0.00 S ATOM 797 CE MET A 52 -3.979 2.547 -8.360 1.00 0.00 C ATOM 0 H MET A 52 -0.704 -0.820 -5.920 1.00 0.00 H new ATOM 0 HA MET A 52 -0.795 -2.778 -8.077 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.790 -1.756 -8.705 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.807 -1.573 -6.962 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.889 0.773 -7.279 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.101 0.563 -9.006 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.921 3.083 -8.246 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.223 3.001 -7.719 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.654 2.602 -9.399 1.00 0.00 H new ATOM 805 N LEU A 53 0.750 0.058 -8.443 1.00 0.00 N ATOM 806 CA LEU A 53 1.739 0.755 -9.262 1.00 0.00 C ATOM 807 C LEU A 53 2.966 -0.137 -9.528 1.00 0.00 C ATOM 808 O LEU A 53 3.190 -0.538 -10.675 1.00 0.00 O ATOM 809 CB LEU A 53 2.112 2.092 -8.598 1.00 0.00 C ATOM 810 CG LEU A 53 1.120 3.233 -8.929 1.00 0.00 C ATOM 811 CD1 LEU A 53 0.110 3.507 -7.809 1.00 0.00 C ATOM 812 CD2 LEU A 53 1.921 4.502 -9.213 1.00 0.00 C ATOM 0 H LEU A 53 0.642 0.466 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 53 1.308 0.978 -10.238 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.152 1.955 -7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.112 2.384 -8.919 1.00 0.00 H new ATOM 0 HG LEU A 53 0.540 2.921 -9.798 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.554 4.318 -8.108 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.477 2.608 -7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.642 3.790 -6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.238 5.318 -9.449 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.511 4.764 -8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.587 4.330 -10.059 1.00 0.00 H new ATOM 823 N GLY A 54 3.740 -0.488 -8.492 1.00 0.00 N ATOM 824 CA GLY A 54 4.787 -1.513 -8.629 1.00 0.00 C ATOM 825 C GLY A 54 5.759 -1.765 -7.466 1.00 0.00 C ATOM 826 O GLY A 54 6.723 -2.511 -7.659 1.00 0.00 O ATOM 0 H GLY A 54 3.664 -0.083 -7.559 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.291 -2.458 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.384 -1.254 -9.503 1.00 0.00 H new ATOM 830 N ILE A 55 5.579 -1.155 -6.289 1.00 0.00 N ATOM 831 CA ILE A 55 6.530 -1.225 -5.168 1.00 0.00 C ATOM 832 C ILE A 55 6.338 -2.513 -4.329 1.00 0.00 C ATOM 833 O ILE A 55 5.244 -2.732 -3.798 1.00 0.00 O ATOM 834 CB ILE A 55 6.425 0.053 -4.312 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.033 1.231 -5.109 1.00 0.00 C ATOM 836 CG2 ILE A 55 7.143 -0.092 -2.960 1.00 0.00 C ATOM 837 CD1 ILE A 55 6.601 2.595 -4.575 1.00 0.00 C ATOM 0 H ILE A 55 4.756 -0.589 -6.083 1.00 0.00 H new ATOM 0 HA ILE A 55 7.541 -1.279 -5.572 1.00 0.00 H new ATOM 0 HB ILE A 55 5.373 0.236 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.120 1.162 -5.077 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.738 1.146 -6.155 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.041 0.833 -2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.698 -0.913 -2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.200 -0.299 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.059 3.382 -5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.516 2.681 -4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.919 2.697 -3.537 1.00 0.00 H new ATOM 848 N PRO A 56 7.393 -3.339 -4.147 1.00 0.00 N ATOM 849 CA PRO A 56 7.420 -4.479 -3.220 1.00 0.00 C ATOM 850 C PRO A 56 6.984 -4.100 -1.794 1.00 0.00 C ATOM 851 O PRO A 56 5.978 -4.607 -1.296 1.00 0.00 O ATOM 852 CB PRO A 56 8.856 -5.029 -3.256 1.00 0.00 C ATOM 853 CG PRO A 56 9.434 -4.501 -4.565 1.00 0.00 C ATOM 854 CD PRO A 56 8.678 -3.200 -4.810 1.00 0.00 C ATOM 0 HA PRO A 56 6.700 -5.236 -3.531 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.435 -4.684 -2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.865 -6.119 -3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.507 -4.329 -4.486 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.284 -5.208 -5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.230 -2.349 -4.411 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.547 -3.023 -5.877 1.00 0.00 H new ATOM 859 N SER A 57 7.721 -3.180 -1.159 1.00 0.00 N ATOM 860 CA SER A 57 7.309 -2.460 0.066 1.00 0.00 C ATOM 861 C SER A 57 8.096 -1.180 0.379 1.00 0.00 C ATOM 862 O SER A 57 7.672 -0.357 1.193 1.00 0.00 O ATOM 863 CB SER A 57 7.422 -3.363 1.305 1.00 0.00 C ATOM 864 OG SER A 57 8.773 -3.749 1.512 1.00 0.00 O ATOM 0 H SER A 57 8.646 -2.904 -1.487 1.00 0.00 H new ATOM 0 HA SER A 57 6.280 -2.174 -0.150 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.049 -2.836 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.799 -4.248 1.176 1.00 0.00 H new ATOM 0 HG SER A 57 8.813 -4.444 2.202 1.00 0.00 H new ATOM 869 N SER A 58 9.280 -1.032 -0.222 1.00 0.00 N ATOM 870 CA SER A 58 10.350 -0.090 0.166 1.00 0.00 C ATOM 871 C SER A 58 10.928 -0.300 1.580 1.00 0.00 C ATOM 872 O SER A 58 11.886 0.375 1.951 1.00 0.00 O ATOM 873 CB SER A 58 9.947 1.372 -0.087 1.00 0.00 C ATOM 874 OG SER A 58 9.684 1.604 -1.465 1.00 0.00 O ATOM 0 H SER A 58 9.538 -1.592 -1.035 1.00 0.00 H new ATOM 0 HA SER A 58 11.180 -0.330 -0.499 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.061 1.614 0.500 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.744 2.035 0.250 1.00 0.00 H new ATOM 0 HG SER A 58 9.429 2.541 -1.596 1.00 0.00 H new ATOM 879 N ARG A 59 10.452 -1.295 2.342 1.00 0.00 N ATOM 880 CA ARG A 59 11.083 -1.821 3.568 1.00 0.00 C ATOM 881 C ARG A 59 12.127 -2.902 3.250 1.00 0.00 C ATOM 882 O ARG A 59 12.986 -3.194 4.082 1.00 0.00 O ATOM 883 CB ARG A 59 9.951 -2.315 4.497 1.00 0.00 C ATOM 884 CG ARG A 59 10.391 -3.035 5.784 1.00 0.00 C ATOM 885 CD ARG A 59 9.160 -3.359 6.639 1.00 0.00 C ATOM 886 NE ARG A 59 9.468 -4.302 7.728 1.00 0.00 N ATOM 887 CZ ARG A 59 8.596 -4.887 8.533 1.00 0.00 C ATOM 888 NH1 ARG A 59 7.325 -4.605 8.512 1.00 0.00 N ATOM 889 NH2 ARG A 59 8.998 -5.784 9.384 1.00 0.00 N ATOM 0 H ARG A 59 9.582 -1.777 2.115 1.00 0.00 H new ATOM 0 HA ARG A 59 11.646 -1.040 4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.339 -1.457 4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.312 -2.991 3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.925 -3.952 5.535 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.082 -2.407 6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.761 -2.437 7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.381 -3.782 6.005 1.00 0.00 H new ATOM 0 HE ARG A 59 10.452 -4.526 7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.968 -3.909 7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.687 -5.080 9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.985 -6.036 9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.326 -6.235 10.005 1.00 0.00 H new ATOM 900 N GLU A 60 12.095 -3.452 2.032 1.00 0.00 N ATOM 901 CA GLU A 60 12.963 -4.548 1.570 1.00 0.00 C ATOM 902 C GLU A 60 13.855 -4.188 0.367 1.00 0.00 C ATOM 903 O GLU A 60 14.819 -4.900 0.077 1.00 0.00 O ATOM 904 CB GLU A 60 12.112 -5.806 1.319 1.00 0.00 C ATOM 905 CG GLU A 60 11.208 -5.761 0.071 1.00 0.00 C ATOM 906 CD GLU A 60 11.899 -6.313 -1.194 1.00 0.00 C ATOM 907 OE1 GLU A 60 12.127 -7.547 -1.276 1.00 0.00 O ATOM 908 OE2 GLU A 60 12.184 -5.529 -2.130 1.00 0.00 O ATOM 0 H GLU A 60 11.443 -3.138 1.313 1.00 0.00 H new ATOM 0 HA GLU A 60 13.676 -4.752 2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.780 -6.663 1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.485 -5.979 2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.302 -6.336 0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.899 -4.732 -0.110 1.00 0.00 H new ATOM 913 N ARG A 61 13.565 -3.066 -0.310 1.00 0.00 N ATOM 914 CA ARG A 61 14.333 -2.544 -1.457 1.00 0.00 C ATOM 915 C ARG A 61 15.697 -1.997 -1.033 1.00 0.00 C ATOM 916 O ARG A 61 16.705 -2.261 -1.694 1.00 0.00 O ATOM 917 CB ARG A 61 13.546 -1.427 -2.168 1.00 0.00 C ATOM 918 CG ARG A 61 12.203 -1.886 -2.757 1.00 0.00 C ATOM 919 CD ARG A 61 11.423 -0.683 -3.298 1.00 0.00 C ATOM 920 NE ARG A 61 11.949 -0.178 -4.579 1.00 0.00 N ATOM 921 CZ ARG A 61 11.729 1.023 -5.084 1.00 0.00 C ATOM 922 NH1 ARG A 61 11.022 1.917 -4.457 1.00 0.00 N ATOM 923 NH2 ARG A 61 12.217 1.351 -6.242 1.00 0.00 N ATOM 0 H ARG A 61 12.767 -2.478 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 61 14.493 -3.381 -2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.363 -0.618 -1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.161 -1.017 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.376 -2.606 -3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.617 -2.394 -1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.378 -0.964 -3.427 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.448 0.119 -2.561 1.00 0.00 H new ATOM 0 HE ARG A 61 12.534 -0.811 -5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.618 1.700 -3.546 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.872 2.835 -4.876 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.775 0.679 -6.769 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.042 2.280 -6.624 1.00 0.00 H new ATOM 934 N ARG A 62 15.716 -1.202 0.046 1.00 0.00 N ATOM 935 CA ARG A 62 16.885 -0.464 0.548 1.00 0.00 C ATOM 936 C ARG A 62 17.885 -1.366 1.281 1.00 0.00 C ATOM 937 O ARG A 62 19.075 -1.362 0.955 1.00 0.00 O ATOM 938 CB ARG A 62 16.333 0.663 1.434 1.00 0.00 C ATOM 939 CG ARG A 62 17.381 1.434 2.249 1.00 0.00 C ATOM 940 CD ARG A 62 17.098 1.300 3.746 1.00 0.00 C ATOM 941 NE ARG A 62 18.057 2.083 4.541 1.00 0.00 N ATOM 942 CZ ARG A 62 18.244 2.051 5.846 1.00 0.00 C ATOM 943 NH1 ARG A 62 17.579 1.245 6.626 1.00 0.00 N ATOM 944 NH2 ARG A 62 19.112 2.848 6.398 1.00 0.00 N ATOM 0 H ARG A 62 14.884 -1.049 0.616 1.00 0.00 H new ATOM 0 HA ARG A 62 17.466 -0.052 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.798 1.370 0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.604 0.236 2.123 1.00 0.00 H new ATOM 0 HG2 ARG A 62 18.377 1.052 2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 62 17.371 2.486 1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.084 1.638 3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 62 17.152 0.251 4.036 1.00 0.00 H new ATOM 0 HE ARG A 62 18.649 2.729 4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.886 0.610 6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.752 1.250 7.631 1.00 0.00 H new ATOM 0 HH21 ARG A 62 19.647 3.497 5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.257 2.824 7.407 1.00 0.00 H new ATOM 955 N ILE A 63 17.397 -2.069 2.309 1.00 0.00 N ATOM 956 CA ILE A 63 18.171 -2.819 3.317 1.00 0.00 C ATOM 957 C ILE A 63 19.129 -3.876 2.732 1.00 0.00 C ATOM 958 O ILE A 63 18.763 -4.589 1.768 1.00 0.00 O ATOM 959 CB ILE A 63 17.206 -3.361 4.397 1.00 0.00 C ATOM 960 CG1 ILE A 63 17.918 -3.757 5.708 1.00 0.00 C ATOM 961 CG2 ILE A 63 16.370 -4.544 3.884 1.00 0.00 C ATOM 962 CD1 ILE A 63 18.523 -2.556 6.447 1.00 0.00 C ATOM 963 OXT ILE A 63 20.273 -3.970 3.236 1.00 0.00 O ATOM 0 H ILE A 63 16.393 -2.137 2.474 1.00 0.00 H new ATOM 0 HA ILE A 63 18.863 -2.126 3.795 1.00 0.00 H new ATOM 0 HB ILE A 63 16.539 -2.529 4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.207 -4.260 6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.708 -4.474 5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 63 15.707 -4.892 4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 63 15.776 -4.225 3.027 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.033 -5.355 3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 63 19.010 -2.898 7.360 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.257 -2.067 5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.733 -1.849 6.700 1.00 0.00 H new