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= 0.962 K(o=2.1,f=-2.1) USER MOD Set 1.2: A 35 LYS NZ :NH3+ 178:sc= 1.15 (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+ 173:sc= 0 (180deg=-0.0429) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (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= 0.0355 USER MOD Single : A 28 GLN : amide:sc= 0.686 K(o=0.69,f=-0.011) 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+ -123:sc= 0.00128 (180deg=-0.0468) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -175:sc= -0.471 (180deg=-0.506) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0141 USER MOD Single : A 58 SER OG : rot -12:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.564 11.088 -4.885 1.00 0.00 N ATOM 35 CA LEU A 3 -9.543 11.441 -5.870 1.00 0.00 C ATOM 36 C LEU A 3 -9.853 10.919 -7.286 1.00 0.00 C ATOM 37 O LEU A 3 -10.858 10.240 -7.520 1.00 0.00 O ATOM 38 CB LEU A 3 -8.190 10.924 -5.334 1.00 0.00 C ATOM 39 CG LEU A 3 -7.623 11.713 -4.136 1.00 0.00 C ATOM 40 CD1 LEU A 3 -6.230 11.182 -3.792 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.500 13.211 -4.408 1.00 0.00 C ATOM 0 HA LEU A 3 -9.515 12.524 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.306 9.881 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.461 10.948 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.325 11.575 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.827 11.738 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.297 10.125 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.572 11.304 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.095 13.709 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.833 13.373 -5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.484 13.621 -4.637 1.00 0.00 H new ATOM 52 N THR A 4 -8.988 11.280 -8.239 1.00 0.00 N ATOM 53 CA THR A 4 -9.042 10.859 -9.656 1.00 0.00 C ATOM 54 C THR A 4 -8.611 9.396 -9.856 1.00 0.00 C ATOM 55 O THR A 4 -8.454 8.637 -8.897 1.00 0.00 O ATOM 56 CB THR A 4 -8.212 11.798 -10.556 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.853 11.749 -10.188 1.00 0.00 O ATOM 58 CG2 THR A 4 -8.695 13.246 -10.514 1.00 0.00 C ATOM 0 H THR A 4 -8.199 11.896 -8.045 1.00 0.00 H new ATOM 0 HA THR A 4 -10.088 10.930 -9.955 1.00 0.00 H new ATOM 0 HB THR A 4 -8.341 11.441 -11.578 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.336 12.347 -10.767 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.072 13.857 -11.167 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.730 13.294 -10.852 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.628 13.622 -9.493 1.00 0.00 H new ATOM 66 N GLN A 5 -8.413 8.987 -11.117 1.00 0.00 N ATOM 67 CA GLN A 5 -7.880 7.680 -11.522 1.00 0.00 C ATOM 68 C GLN A 5 -6.591 7.259 -10.793 1.00 0.00 C ATOM 69 O GLN A 5 -6.323 6.060 -10.672 1.00 0.00 O ATOM 70 CB GLN A 5 -7.674 7.672 -13.045 1.00 0.00 C ATOM 71 CG GLN A 5 -6.566 8.612 -13.556 1.00 0.00 C ATOM 72 CD GLN A 5 -6.436 8.554 -15.078 1.00 0.00 C ATOM 73 OE1 GLN A 5 -5.619 7.827 -15.635 1.00 0.00 O ATOM 74 NE2 GLN A 5 -7.229 9.304 -15.816 1.00 0.00 N ATOM 0 H GLN A 5 -8.629 9.583 -11.916 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.620 6.936 -11.228 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.441 6.655 -13.360 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.613 7.947 -13.525 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.785 9.634 -13.248 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.616 8.337 -13.098 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.914 9.914 -15.370 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.158 9.274 -16.833 1.00 0.00 H new ATOM 81 N GLY A 6 -5.803 8.218 -10.287 1.00 0.00 N ATOM 82 CA GLY A 6 -4.663 7.919 -9.436 1.00 0.00 C ATOM 83 C GLY A 6 -3.949 9.139 -8.872 1.00 0.00 C ATOM 84 O GLY A 6 -2.722 9.153 -8.892 1.00 0.00 O ATOM 0 H GLY A 6 -5.944 9.213 -10.460 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.000 7.297 -8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.947 7.328 -10.007 1.00 0.00 H new ATOM 88 N GLU A 7 -4.657 10.145 -8.343 1.00 0.00 N ATOM 89 CA GLU A 7 -4.069 11.372 -7.796 1.00 0.00 C ATOM 90 C GLU A 7 -3.073 11.119 -6.651 1.00 0.00 C ATOM 91 O GLU A 7 -2.210 11.950 -6.399 1.00 0.00 O ATOM 92 CB GLU A 7 -5.183 12.338 -7.342 1.00 0.00 C ATOM 93 CG GLU A 7 -5.008 13.694 -8.029 1.00 0.00 C ATOM 94 CD GLU A 7 -5.961 14.781 -7.495 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.198 14.646 -7.644 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.474 15.805 -6.954 1.00 0.00 O ATOM 0 H GLU A 7 -5.675 10.127 -8.283 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.493 11.826 -8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.160 11.921 -7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.150 12.462 -6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.979 14.028 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.171 13.574 -9.100 1.00 0.00 H new ATOM 101 N LEU A 8 -3.133 9.953 -6.008 1.00 0.00 N ATOM 102 CA LEU A 8 -2.156 9.482 -5.021 1.00 0.00 C ATOM 103 C LEU A 8 -1.280 8.324 -5.552 1.00 0.00 C ATOM 104 O LEU A 8 -0.205 8.069 -5.020 1.00 0.00 O ATOM 105 CB LEU A 8 -2.927 9.159 -3.725 1.00 0.00 C ATOM 106 CG LEU A 8 -3.744 7.852 -3.782 1.00 0.00 C ATOM 107 CD1 LEU A 8 -3.002 6.721 -3.071 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.099 7.976 -3.107 1.00 0.00 C ATOM 0 H LEU A 8 -3.889 9.286 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.424 10.260 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.217 9.094 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.601 9.986 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.882 7.640 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.595 5.808 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.040 6.556 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.841 6.991 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.629 7.026 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.960 8.236 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.681 8.754 -3.600 1.00 0.00 H new ATOM 119 N MET A 9 -1.699 7.647 -6.630 1.00 0.00 N ATOM 120 CA MET A 9 -1.051 6.467 -7.216 1.00 0.00 C ATOM 121 C MET A 9 0.238 6.842 -7.949 1.00 0.00 C ATOM 122 O MET A 9 1.320 6.360 -7.625 1.00 0.00 O ATOM 123 CB MET A 9 -2.062 5.701 -8.110 1.00 0.00 C ATOM 124 CG MET A 9 -1.586 5.298 -9.507 1.00 0.00 C ATOM 125 SD MET A 9 -2.712 4.201 -10.406 1.00 0.00 S ATOM 126 CE MET A 9 -1.775 4.000 -11.946 1.00 0.00 C ATOM 0 H MET A 9 -2.539 7.921 -7.141 1.00 0.00 H new ATOM 0 HA MET A 9 -0.746 5.791 -6.417 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.365 4.797 -7.581 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.953 6.319 -8.221 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.432 6.201 -10.098 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.617 4.807 -9.418 1.00 0.00 H new ATOM 0 HE1 MET A 9 -2.325 3.348 -12.624 1.00 0.00 H new ATOM 0 HE2 MET A 9 -1.632 4.974 -12.415 1.00 0.00 H new ATOM 0 HE3 MET A 9 -0.803 3.558 -11.726 1.00 0.00 H new ATOM 134 N LYS A 10 0.138 7.740 -8.929 1.00 0.00 N ATOM 135 CA LYS A 10 1.246 8.144 -9.815 1.00 0.00 C ATOM 136 C LYS A 10 2.253 9.095 -9.133 1.00 0.00 C ATOM 137 O LYS A 10 3.049 9.758 -9.799 1.00 0.00 O ATOM 138 CB LYS A 10 0.633 8.642 -11.146 1.00 0.00 C ATOM 139 CG LYS A 10 -0.312 9.854 -11.017 1.00 0.00 C ATOM 140 CD LYS A 10 -1.535 9.786 -11.947 1.00 0.00 C ATOM 141 CE LYS A 10 -2.386 11.063 -11.868 1.00 0.00 C ATOM 142 NZ LYS A 10 -1.708 12.233 -12.484 1.00 0.00 N ATOM 0 H LYS A 10 -0.735 8.223 -9.140 1.00 0.00 H new ATOM 0 HA LYS A 10 1.882 7.291 -10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.444 8.904 -11.826 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.084 7.820 -11.605 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.655 9.928 -9.985 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.247 10.764 -11.233 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.202 9.634 -12.974 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.147 8.925 -11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.339 10.893 -12.369 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.610 11.284 -10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.365 13.039 -12.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.873 12.487 -11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.412 11.993 -13.451 1.00 0.00 H new ATOM 152 N LEU A 11 2.191 9.165 -7.798 1.00 0.00 N ATOM 153 CA LEU A 11 2.858 10.085 -6.878 1.00 0.00 C ATOM 154 C LEU A 11 3.622 9.307 -5.805 1.00 0.00 C ATOM 155 O LEU A 11 4.761 9.667 -5.500 1.00 0.00 O ATOM 156 CB LEU A 11 1.830 11.000 -6.175 1.00 0.00 C ATOM 157 CG LEU A 11 1.092 12.055 -7.017 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.073 13.010 -7.696 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.207 11.435 -8.092 1.00 0.00 C ATOM 0 H LEU A 11 1.608 8.505 -7.283 1.00 0.00 H new ATOM 0 HA LEU A 11 3.549 10.691 -7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.079 10.360 -5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.346 11.521 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 11 0.461 12.600 -6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.520 13.743 -8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.664 13.524 -6.938 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.736 12.445 -8.352 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.289 12.225 -8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.819 10.838 -8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.543 10.798 -7.623 1.00 0.00 H new ATOM 170 N ILE A 12 3.039 8.230 -5.252 1.00 0.00 N ATOM 171 CA ILE A 12 3.699 7.478 -4.172 1.00 0.00 C ATOM 172 C ILE A 12 5.015 6.850 -4.642 1.00 0.00 C ATOM 173 O ILE A 12 5.994 6.842 -3.899 1.00 0.00 O ATOM 174 CB ILE A 12 2.792 6.400 -3.548 1.00 0.00 C ATOM 175 CG1 ILE A 12 2.042 5.531 -4.580 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.788 7.023 -2.570 1.00 0.00 C ATOM 177 CD1 ILE A 12 2.029 4.067 -4.141 1.00 0.00 C ATOM 0 H ILE A 12 2.128 7.865 -5.529 1.00 0.00 H new ATOM 0 HA ILE A 12 3.917 8.210 -3.395 1.00 0.00 H new ATOM 0 HB ILE A 12 3.469 5.734 -3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.020 5.892 -4.693 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.521 5.620 -5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.161 6.240 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.327 7.531 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.162 7.741 -3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.496 3.470 -4.881 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.053 3.705 -4.052 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.529 3.981 -3.177 1.00 0.00 H new ATOM 188 N LYS A 13 5.078 6.391 -5.897 1.00 0.00 N ATOM 189 CA LYS A 13 6.309 5.790 -6.458 1.00 0.00 C ATOM 190 C LYS A 13 7.321 6.825 -6.959 1.00 0.00 C ATOM 191 O LYS A 13 8.506 6.540 -7.101 1.00 0.00 O ATOM 192 CB LYS A 13 5.937 4.748 -7.529 1.00 0.00 C ATOM 193 CG LYS A 13 5.163 5.271 -8.756 1.00 0.00 C ATOM 194 CD LYS A 13 6.007 5.842 -9.907 1.00 0.00 C ATOM 195 CE LYS A 13 6.881 4.768 -10.567 1.00 0.00 C ATOM 196 NZ LYS A 13 7.624 5.311 -11.732 1.00 0.00 N ATOM 0 H LYS A 13 4.294 6.421 -6.549 1.00 0.00 H new ATOM 0 HA LYS A 13 6.829 5.280 -5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.855 4.276 -7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.340 3.969 -7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.556 4.455 -9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.475 6.047 -8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.348 6.283 -10.655 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.641 6.643 -9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.587 4.372 -9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.255 3.936 -10.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.205 4.559 -12.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.949 5.666 -12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.239 6.089 -11.419 1.00 0.00 H new ATOM 206 N GLU A 14 6.856 8.043 -7.200 1.00 0.00 N ATOM 207 CA GLU A 14 7.550 9.134 -7.894 1.00 0.00 C ATOM 208 C GLU A 14 8.255 10.080 -6.913 1.00 0.00 C ATOM 209 O GLU A 14 9.182 10.794 -7.302 1.00 0.00 O ATOM 210 CB GLU A 14 6.540 9.877 -8.788 1.00 0.00 C ATOM 211 CG GLU A 14 7.206 10.849 -9.772 1.00 0.00 C ATOM 212 CD GLU A 14 6.193 11.440 -10.771 1.00 0.00 C ATOM 213 OE1 GLU A 14 5.598 12.507 -10.478 1.00 0.00 O ATOM 214 OE2 GLU A 14 6.020 10.869 -11.877 1.00 0.00 O ATOM 0 H GLU A 14 5.922 8.320 -6.898 1.00 0.00 H new ATOM 0 HA GLU A 14 8.338 8.715 -8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.954 9.148 -9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.843 10.429 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.682 11.657 -9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.994 10.330 -10.318 1.00 0.00 H new ATOM 219 N ILE A 15 7.880 10.038 -5.629 1.00 0.00 N ATOM 220 CA ILE A 15 8.620 10.673 -4.542 1.00 0.00 C ATOM 221 C ILE A 15 9.440 9.606 -3.817 1.00 0.00 C ATOM 222 O ILE A 15 10.648 9.765 -3.693 1.00 0.00 O ATOM 223 CB ILE A 15 7.699 11.495 -3.614 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.708 10.636 -2.795 1.00 0.00 C ATOM 225 CG2 ILE A 15 6.941 12.560 -4.423 1.00 0.00 C ATOM 226 CD1 ILE A 15 7.193 10.468 -1.352 1.00 0.00 C ATOM 0 H ILE A 15 7.039 9.553 -5.315 1.00 0.00 H new ATOM 0 HA ILE A 15 9.314 11.409 -4.947 1.00 0.00 H new ATOM 0 HB ILE A 15 8.353 11.976 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.724 11.105 -2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.597 9.657 -3.262 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.296 13.132 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.655 13.231 -4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.334 12.073 -5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.479 9.860 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.166 9.977 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.280 11.447 -0.881 1.00 0.00 H new ATOM 237 N VAL A 16 8.845 8.480 -3.395 1.00 0.00 N ATOM 238 CA VAL A 16 9.543 7.528 -2.520 1.00 0.00 C ATOM 239 C VAL A 16 10.754 6.921 -3.221 1.00 0.00 C ATOM 240 O VAL A 16 11.814 6.790 -2.603 1.00 0.00 O ATOM 241 CB VAL A 16 8.621 6.405 -2.016 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.412 5.433 -1.140 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.482 6.949 -1.153 1.00 0.00 C ATOM 0 H VAL A 16 7.893 8.209 -3.642 1.00 0.00 H new ATOM 0 HA VAL A 16 9.877 8.100 -1.654 1.00 0.00 H new ATOM 0 HB VAL A 16 8.215 5.913 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.751 4.641 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.224 4.996 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.826 5.968 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.854 6.124 -0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.896 7.465 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.883 7.646 -1.739 1.00 0.00 H new ATOM 253 N GLU A 17 10.638 6.615 -4.519 1.00 0.00 N ATOM 254 CA GLU A 17 11.780 6.027 -5.245 1.00 0.00 C ATOM 255 C GLU A 17 12.783 7.096 -5.720 1.00 0.00 C ATOM 256 O GLU A 17 13.774 6.776 -6.384 1.00 0.00 O ATOM 257 CB GLU A 17 11.323 5.107 -6.392 1.00 0.00 C ATOM 258 CG GLU A 17 10.359 3.985 -5.964 1.00 0.00 C ATOM 259 CD GLU A 17 11.017 2.975 -5.003 1.00 0.00 C ATOM 260 OE1 GLU A 17 11.615 1.979 -5.480 1.00 0.00 O ATOM 261 OE2 GLU A 17 10.923 3.152 -3.766 1.00 0.00 O ATOM 0 H GLU A 17 9.796 6.757 -5.077 1.00 0.00 H new ATOM 0 HA GLU A 17 12.313 5.398 -4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.838 5.714 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.203 4.657 -6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.486 4.425 -5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.002 3.459 -6.850 1.00 0.00 H new ATOM 266 N ASN A 18 12.550 8.366 -5.364 1.00 0.00 N ATOM 267 CA ASN A 18 13.336 9.528 -5.752 1.00 0.00 C ATOM 268 C ASN A 18 13.956 10.296 -4.566 1.00 0.00 C ATOM 269 O ASN A 18 14.814 11.157 -4.784 1.00 0.00 O ATOM 270 CB ASN A 18 12.415 10.429 -6.592 1.00 0.00 C ATOM 271 CG ASN A 18 13.168 11.079 -7.726 1.00 0.00 C ATOM 272 OD1 ASN A 18 13.396 12.281 -7.779 1.00 0.00 O ATOM 273 ND2 ASN A 18 13.576 10.275 -8.680 1.00 0.00 N ATOM 0 H ASN A 18 11.763 8.616 -4.765 1.00 0.00 H new ATOM 0 HA ASN A 18 14.200 9.193 -6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.591 9.838 -6.992 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.977 11.198 -5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.090 10.650 -9.478 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.379 9.276 -8.624 1.00 0.00 H new ATOM 279 N GLU A 19 13.552 10.000 -3.324 1.00 0.00 N ATOM 280 CA GLU A 19 13.998 10.711 -2.118 1.00 0.00 C ATOM 281 C GLU A 19 15.238 10.056 -1.503 1.00 0.00 C ATOM 282 O GLU A 19 16.362 10.451 -1.823 1.00 0.00 O ATOM 283 CB GLU A 19 12.845 10.807 -1.103 1.00 0.00 C ATOM 284 CG GLU A 19 11.762 11.827 -1.461 1.00 0.00 C ATOM 285 CD GLU A 19 12.271 13.276 -1.355 1.00 0.00 C ATOM 286 OE1 GLU A 19 12.380 13.795 -0.218 1.00 0.00 O ATOM 287 OE2 GLU A 19 12.562 13.909 -2.400 1.00 0.00 O ATOM 0 H GLU A 19 12.894 9.246 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 19 14.287 11.722 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.382 9.825 -1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.258 11.063 -0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.411 11.640 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.907 11.695 -0.798 1.00 0.00 H new ATOM 292 N ASP A 20 15.054 9.056 -0.635 1.00 0.00 N ATOM 293 CA ASP A 20 16.151 8.336 0.001 1.00 0.00 C ATOM 294 C ASP A 20 15.970 6.821 -0.076 1.00 0.00 C ATOM 295 O ASP A 20 15.304 6.190 0.748 1.00 0.00 O ATOM 296 CB ASP A 20 16.371 8.826 1.437 1.00 0.00 C ATOM 297 CG ASP A 20 17.816 8.585 1.904 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.456 7.625 1.415 1.00 0.00 O ATOM 299 OD2 ASP A 20 18.314 9.362 2.753 1.00 0.00 O ATOM 0 H ASP A 20 14.131 8.724 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 20 17.058 8.558 -0.561 1.00 0.00 H new ATOM 0 HB2 ASP A 20 16.141 9.890 1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 20 15.681 8.312 2.107 1.00 0.00 H new ATOM 303 N LYS A 21 16.617 6.230 -1.078 1.00 0.00 N ATOM 304 CA LYS A 21 16.756 4.775 -1.260 1.00 0.00 C ATOM 305 C LYS A 21 17.424 4.057 -0.071 1.00 0.00 C ATOM 306 O LYS A 21 17.291 2.839 0.044 1.00 0.00 O ATOM 307 CB LYS A 21 17.508 4.505 -2.574 1.00 0.00 C ATOM 308 CG LYS A 21 16.703 4.968 -3.802 1.00 0.00 C ATOM 309 CD LYS A 21 17.437 4.645 -5.110 1.00 0.00 C ATOM 310 CE LYS A 21 16.609 5.130 -6.304 1.00 0.00 C ATOM 311 NZ LYS A 21 17.286 4.842 -7.593 1.00 0.00 N ATOM 0 H LYS A 21 17.077 6.764 -1.815 1.00 0.00 H new ATOM 0 HA LYS A 21 15.751 4.355 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.469 5.020 -2.555 1.00 0.00 H new ATOM 0 HB3 LYS A 21 17.719 3.439 -2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 21 15.727 4.483 -3.802 1.00 0.00 H new ATOM 0 HG3 LYS A 21 16.526 6.042 -3.739 1.00 0.00 H new ATOM 0 HD2 LYS A 21 18.416 5.124 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.607 3.571 -5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.632 4.647 -6.290 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.436 6.202 -6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.697 5.184 -8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 18.208 5.323 -7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 17.429 3.816 -7.689 1.00 0.00 H new ATOM 321 N ARG A 22 18.091 4.789 0.835 1.00 0.00 N ATOM 322 CA ARG A 22 18.680 4.311 2.101 1.00 0.00 C ATOM 323 C ARG A 22 17.839 4.653 3.344 1.00 0.00 C ATOM 324 O ARG A 22 18.110 4.087 4.407 1.00 0.00 O ATOM 325 CB ARG A 22 20.120 4.837 2.267 1.00 0.00 C ATOM 326 CG ARG A 22 21.018 4.613 1.037 1.00 0.00 C ATOM 327 CD ARG A 22 21.078 5.834 0.108 1.00 0.00 C ATOM 328 NE ARG A 22 21.945 5.581 -1.057 1.00 0.00 N ATOM 329 CZ ARG A 22 22.217 6.423 -2.038 1.00 0.00 C ATOM 330 NH1 ARG A 22 21.713 7.626 -2.078 1.00 0.00 N ATOM 331 NH2 ARG A 22 23.008 6.070 -3.011 1.00 0.00 N ATOM 0 H ARG A 22 18.244 5.788 0.698 1.00 0.00 H new ATOM 0 HA ARG A 22 18.694 3.223 2.031 1.00 0.00 H new ATOM 0 HB2 ARG A 22 20.082 5.904 2.486 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.576 4.350 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 22 22.026 4.367 1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 22 20.649 3.754 0.476 1.00 0.00 H new ATOM 0 HD2 ARG A 22 20.073 6.084 -0.232 1.00 0.00 H new ATOM 0 HD3 ARG A 22 21.451 6.696 0.661 1.00 0.00 H new ATOM 0 HE ARG A 22 22.380 4.660 -1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 22 21.088 7.942 -1.337 1.00 0.00 H new ATOM 0 HH12 ARG A 22 21.944 8.250 -2.851 1.00 0.00 H new ATOM 0 HH21 ARG A 22 23.422 5.138 -3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 22 23.213 6.726 -3.765 1.00 0.00 H new ATOM 342 N LYS A 23 16.800 5.499 3.231 1.00 0.00 N ATOM 343 CA LYS A 23 15.811 5.804 4.293 1.00 0.00 C ATOM 344 C LYS A 23 14.383 5.930 3.705 1.00 0.00 C ATOM 345 O LYS A 23 13.882 7.051 3.546 1.00 0.00 O ATOM 346 CB LYS A 23 16.223 7.070 5.076 1.00 0.00 C ATOM 347 CG LYS A 23 17.539 6.911 5.859 1.00 0.00 C ATOM 348 CD LYS A 23 17.834 8.108 6.776 1.00 0.00 C ATOM 349 CE LYS A 23 18.113 9.386 5.976 1.00 0.00 C ATOM 350 NZ LYS A 23 18.458 10.524 6.868 1.00 0.00 N ATOM 0 H LYS A 23 16.615 6.010 2.368 1.00 0.00 H new ATOM 0 HA LYS A 23 15.797 4.972 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.324 7.902 4.378 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.426 7.332 5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.492 6.002 6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.362 6.786 5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.986 8.274 7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.693 7.879 7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.932 9.208 5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.237 9.642 5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.641 11.372 6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.667 10.709 7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.309 10.289 7.418 1.00 0.00 H new ATOM 360 N PRO A 24 13.713 4.810 3.363 1.00 0.00 N ATOM 361 CA PRO A 24 12.396 4.826 2.723 1.00 0.00 C ATOM 362 C PRO A 24 11.282 5.290 3.681 1.00 0.00 C ATOM 363 O PRO A 24 11.432 5.246 4.907 1.00 0.00 O ATOM 364 CB PRO A 24 12.169 3.382 2.256 1.00 0.00 C ATOM 365 CG PRO A 24 12.931 2.560 3.292 1.00 0.00 C ATOM 366 CD PRO A 24 14.137 3.438 3.595 1.00 0.00 C ATOM 0 HA PRO A 24 12.365 5.538 1.898 1.00 0.00 H new ATOM 0 HB2 PRO A 24 11.110 3.126 2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.554 3.219 1.249 1.00 0.00 H new ATOM 0 HG2 PRO A 24 12.331 2.375 4.183 1.00 0.00 H new ATOM 0 HG3 PRO A 24 13.227 1.587 2.899 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.468 3.302 4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.979 3.177 2.953 1.00 0.00 H new ATOM 371 N TYR A 25 10.141 5.693 3.116 1.00 0.00 N ATOM 372 CA TYR A 25 8.898 5.969 3.849 1.00 0.00 C ATOM 373 C TYR A 25 8.117 4.666 4.139 1.00 0.00 C ATOM 374 O TYR A 25 8.544 3.564 3.771 1.00 0.00 O ATOM 375 CB TYR A 25 8.032 6.983 3.073 1.00 0.00 C ATOM 376 CG TYR A 25 8.702 8.308 2.742 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.593 8.413 1.655 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.411 9.450 3.513 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.202 9.641 1.336 1.00 0.00 C ATOM 380 CE2 TYR A 25 9.033 10.677 3.217 1.00 0.00 C ATOM 381 CZ TYR A 25 9.930 10.779 2.131 1.00 0.00 C ATOM 382 OH TYR A 25 10.518 11.978 1.871 1.00 0.00 O ATOM 0 H TYR A 25 10.051 5.841 2.111 1.00 0.00 H new ATOM 0 HA TYR A 25 9.158 6.410 4.811 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.708 6.518 2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.134 7.187 3.656 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.811 7.539 1.059 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.710 9.384 4.332 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.871 9.714 0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.823 11.546 3.824 1.00 0.00 H new ATOM 0 HH TYR A 25 10.209 12.642 2.522 1.00 0.00 H new ATOM 391 N SER A 26 6.947 4.782 4.765 1.00 0.00 N ATOM 392 CA SER A 26 5.993 3.690 5.021 1.00 0.00 C ATOM 393 C SER A 26 4.592 4.116 4.597 1.00 0.00 C ATOM 394 O SER A 26 4.365 5.300 4.341 1.00 0.00 O ATOM 395 CB SER A 26 6.007 3.316 6.510 1.00 0.00 C ATOM 396 OG SER A 26 5.535 4.383 7.319 1.00 0.00 O ATOM 0 H SER A 26 6.618 5.677 5.126 1.00 0.00 H new ATOM 0 HA SER A 26 6.287 2.817 4.439 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.387 2.434 6.671 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.021 3.051 6.810 1.00 0.00 H new ATOM 0 HG SER A 26 5.555 4.113 8.261 1.00 0.00 H new ATOM 401 N ASP A 27 3.634 3.192 4.543 1.00 0.00 N ATOM 402 CA ASP A 27 2.231 3.512 4.268 1.00 0.00 C ATOM 403 C ASP A 27 1.625 4.581 5.212 1.00 0.00 C ATOM 404 O ASP A 27 0.828 5.404 4.767 1.00 0.00 O ATOM 405 CB ASP A 27 1.391 2.230 4.165 1.00 0.00 C ATOM 406 CG ASP A 27 1.348 1.320 5.411 1.00 0.00 C ATOM 407 OD1 ASP A 27 1.800 1.718 6.511 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.748 0.222 5.314 1.00 0.00 O ATOM 0 H ASP A 27 3.808 2.198 4.689 1.00 0.00 H new ATOM 0 HA ASP A 27 2.205 3.997 3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.368 2.514 3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.770 1.642 3.329 1.00 0.00 H new ATOM 412 N GLN A 28 2.044 4.673 6.479 1.00 0.00 N ATOM 413 CA GLN A 28 1.701 5.799 7.348 1.00 0.00 C ATOM 414 C GLN A 28 2.396 7.087 6.880 1.00 0.00 C ATOM 415 O GLN A 28 1.747 8.119 6.703 1.00 0.00 O ATOM 416 CB GLN A 28 2.043 5.447 8.806 1.00 0.00 C ATOM 417 CG GLN A 28 1.929 6.632 9.781 1.00 0.00 C ATOM 418 CD GLN A 28 0.539 7.274 9.834 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.325 6.877 10.607 1.00 0.00 O ATOM 420 NE2 GLN A 28 0.264 8.287 9.036 1.00 0.00 N ATOM 0 H GLN A 28 2.630 3.969 6.928 1.00 0.00 H new ATOM 0 HA GLN A 28 0.629 5.988 7.290 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.380 4.649 9.141 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.059 5.054 8.845 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.197 6.291 10.781 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.657 7.392 9.497 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.971 8.631 8.386 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.656 8.727 9.069 1.00 0.00 H new ATOM 427 N GLU A 29 3.716 7.081 6.715 1.00 0.00 N ATOM 428 CA GLU A 29 4.459 8.290 6.392 1.00 0.00 C ATOM 429 C GLU A 29 4.038 8.899 5.051 1.00 0.00 C ATOM 430 O GLU A 29 3.723 10.087 5.022 1.00 0.00 O ATOM 431 CB GLU A 29 5.960 8.013 6.472 1.00 0.00 C ATOM 432 CG GLU A 29 6.444 7.830 7.916 1.00 0.00 C ATOM 433 CD GLU A 29 7.980 7.805 7.989 1.00 0.00 C ATOM 434 OE1 GLU A 29 8.609 6.874 7.430 1.00 0.00 O ATOM 435 OE2 GLU A 29 8.578 8.723 8.608 1.00 0.00 O ATOM 0 H GLU A 29 4.294 6.245 6.801 1.00 0.00 H new ATOM 0 HA GLU A 29 4.216 9.049 7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.193 7.117 5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.504 8.837 6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.061 8.640 8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.043 6.901 8.322 1.00 0.00 H new ATOM 440 N ILE A 30 3.928 8.115 3.974 1.00 0.00 N ATOM 441 CA ILE A 30 3.398 8.618 2.696 1.00 0.00 C ATOM 442 C ILE A 30 1.967 9.139 2.833 1.00 0.00 C ATOM 443 O ILE A 30 1.670 10.196 2.278 1.00 0.00 O ATOM 444 CB ILE A 30 3.556 7.619 1.534 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.645 6.383 1.664 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.033 7.248 1.383 1.00 0.00 C ATOM 447 CD1 ILE A 30 2.976 5.227 0.710 1.00 0.00 C ATOM 0 H ILE A 30 4.197 7.131 3.958 1.00 0.00 H new ATOM 0 HA ILE A 30 4.020 9.472 2.428 1.00 0.00 H new ATOM 0 HB ILE A 30 3.221 8.108 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.701 6.015 2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.614 6.691 1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.148 6.541 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.614 8.146 1.173 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.390 6.792 2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.280 4.405 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.889 5.570 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.994 4.884 0.894 1.00 0.00 H new ATOM 458 N ALA A 31 1.104 8.492 3.628 1.00 0.00 N ATOM 459 CA ALA A 31 -0.262 8.993 3.834 1.00 0.00 C ATOM 460 C ALA A 31 -0.278 10.391 4.491 1.00 0.00 C ATOM 461 O ALA A 31 -1.127 11.227 4.176 1.00 0.00 O ATOM 462 CB ALA A 31 -1.051 7.995 4.691 1.00 0.00 C ATOM 0 H ALA A 31 1.323 7.633 4.133 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.732 9.093 2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.064 8.367 4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.091 7.031 4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.559 7.876 5.656 1.00 0.00 H new ATOM 468 N ASN A 32 0.683 10.656 5.382 1.00 0.00 N ATOM 469 CA ASN A 32 0.822 11.918 6.102 1.00 0.00 C ATOM 470 C ASN A 32 1.217 13.084 5.186 1.00 0.00 C ATOM 471 O ASN A 32 0.536 14.105 5.159 1.00 0.00 O ATOM 472 CB ASN A 32 1.827 11.718 7.243 1.00 0.00 C ATOM 473 CG ASN A 32 2.059 12.985 8.048 1.00 0.00 C ATOM 474 OD1 ASN A 32 1.139 13.591 8.578 1.00 0.00 O ATOM 475 ND2 ASN A 32 3.290 13.434 8.160 1.00 0.00 N ATOM 0 H ASN A 32 1.404 9.977 5.626 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.148 12.197 6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.466 10.932 7.906 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.776 11.376 6.830 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.476 14.286 8.688 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.059 12.930 7.719 1.00 0.00 H new ATOM 481 N ILE A 33 2.306 12.952 4.426 1.00 0.00 N ATOM 482 CA ILE A 33 2.821 14.038 3.559 1.00 0.00 C ATOM 483 C ILE A 33 1.815 14.405 2.459 1.00 0.00 C ATOM 484 O ILE A 33 1.677 15.570 2.086 1.00 0.00 O ATOM 485 CB ILE A 33 4.160 13.636 2.917 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.185 13.125 3.957 1.00 0.00 C ATOM 487 CG2 ILE A 33 4.793 14.774 2.107 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.699 11.769 3.495 1.00 0.00 C ATOM 0 H ILE A 33 2.861 12.097 4.387 1.00 0.00 H new ATOM 0 HA ILE A 33 2.974 14.911 4.194 1.00 0.00 H new ATOM 0 HB ILE A 33 3.912 12.821 2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.010 13.830 4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.720 13.040 4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.735 14.434 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.115 15.072 1.307 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.979 15.626 2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.424 11.390 4.215 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.865 11.071 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.176 11.873 2.521 1.00 0.00 H new ATOM 499 N LEU A 34 1.063 13.416 1.972 1.00 0.00 N ATOM 500 CA LEU A 34 -0.004 13.568 0.978 1.00 0.00 C ATOM 501 C LEU A 34 -1.165 14.425 1.496 1.00 0.00 C ATOM 502 O LEU A 34 -1.870 15.065 0.709 1.00 0.00 O ATOM 503 CB LEU A 34 -0.461 12.161 0.548 1.00 0.00 C ATOM 504 CG LEU A 34 0.301 11.570 -0.659 1.00 0.00 C ATOM 505 CD1 LEU A 34 1.805 11.872 -0.682 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.095 10.055 -0.710 1.00 0.00 C ATOM 0 H LEU A 34 1.185 12.448 2.271 1.00 0.00 H new ATOM 0 HA LEU A 34 0.380 14.107 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.351 11.484 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.523 12.198 0.306 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.121 12.062 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.254 11.417 -1.565 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.959 12.951 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.272 11.463 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.634 9.643 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.471 9.605 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.968 9.836 -0.812 1.00 0.00 H new ATOM 517 N LYS A 35 -1.324 14.520 2.817 1.00 0.00 N ATOM 518 CA LYS A 35 -2.346 15.383 3.428 1.00 0.00 C ATOM 519 C LYS A 35 -1.917 16.852 3.508 1.00 0.00 C ATOM 520 O LYS A 35 -2.760 17.726 3.707 1.00 0.00 O ATOM 521 CB LYS A 35 -2.765 14.781 4.784 1.00 0.00 C ATOM 522 CG LYS A 35 -2.192 15.511 6.009 1.00 0.00 C ATOM 523 CD LYS A 35 -2.293 14.632 7.261 1.00 0.00 C ATOM 524 CE LYS A 35 -1.994 15.408 8.551 1.00 0.00 C ATOM 525 NZ LYS A 35 -0.583 15.862 8.621 1.00 0.00 N ATOM 0 H LYS A 35 -0.756 14.008 3.491 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.224 15.406 2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.853 14.787 4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.449 13.738 4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.150 15.774 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.733 16.443 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.294 14.205 7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.596 13.798 7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.655 16.272 8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.213 14.776 9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.437 16.410 9.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.048 15.035 8.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.369 16.459 7.797 1.00 0.00 H new ATOM 535 N GLU A 36 -0.623 17.134 3.336 1.00 0.00 N ATOM 536 CA GLU A 36 -0.072 18.493 3.415 1.00 0.00 C ATOM 537 C GLU A 36 -0.203 19.250 2.085 1.00 0.00 C ATOM 538 O GLU A 36 -0.023 20.474 2.067 1.00 0.00 O ATOM 539 CB GLU A 36 1.405 18.460 3.845 1.00 0.00 C ATOM 540 CG GLU A 36 1.624 17.769 5.198 1.00 0.00 C ATOM 541 CD GLU A 36 3.061 17.996 5.703 1.00 0.00 C ATOM 542 OE1 GLU A 36 3.986 17.253 5.292 1.00 0.00 O ATOM 543 OE2 GLU A 36 3.279 18.922 6.525 1.00 0.00 O ATOM 0 H GLU A 36 0.079 16.421 3.136 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.657 19.025 4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.988 17.944 3.082 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.784 19.481 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.912 18.155 5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.433 16.700 5.101 1.00 0.00 H new ATOM 548 N LYS A 37 -0.515 18.549 0.980 1.00 0.00 N ATOM 549 CA LYS A 37 -0.480 19.125 -0.376 1.00 0.00 C ATOM 550 C LYS A 37 -1.764 18.958 -1.192 1.00 0.00 C ATOM 551 O LYS A 37 -2.037 19.818 -2.033 1.00 0.00 O ATOM 552 CB LYS A 37 0.782 18.642 -1.095 1.00 0.00 C ATOM 553 CG LYS A 37 0.848 17.114 -1.224 1.00 0.00 C ATOM 554 CD LYS A 37 2.204 16.668 -1.783 1.00 0.00 C ATOM 555 CE LYS A 37 3.251 16.738 -0.669 1.00 0.00 C ATOM 556 NZ LYS A 37 4.631 16.590 -1.199 1.00 0.00 N ATOM 0 H LYS A 37 -0.798 17.569 1.002 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.429 20.208 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.821 19.088 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.660 18.994 -0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.684 16.656 -0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.049 16.766 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.135 15.652 -2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.497 17.308 -2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.163 17.690 -0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.056 15.954 0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.312 16.643 -0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.723 15.670 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.826 17.353 -1.878 1.00 0.00 H new ATOM 566 N GLY A 38 -2.610 17.964 -0.891 1.00 0.00 N ATOM 567 CA GLY A 38 -4.046 18.088 -1.183 1.00 0.00 C ATOM 568 C GLY A 38 -4.822 16.778 -1.259 1.00 0.00 C ATOM 569 O GLY A 38 -6.020 16.802 -1.558 1.00 0.00 O ATOM 0 H GLY A 38 -2.335 17.084 -0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.501 18.714 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.161 18.612 -2.132 1.00 0.00 H new ATOM 573 N PHE A 39 -4.168 15.638 -1.026 1.00 0.00 N ATOM 574 CA PHE A 39 -4.761 14.331 -1.294 1.00 0.00 C ATOM 575 C PHE A 39 -5.575 13.800 -0.114 1.00 0.00 C ATOM 576 O PHE A 39 -6.541 13.060 -0.319 1.00 0.00 O ATOM 577 CB PHE A 39 -3.646 13.348 -1.652 1.00 0.00 C ATOM 578 CG PHE A 39 -2.767 13.833 -2.783 1.00 0.00 C ATOM 579 CD1 PHE A 39 -3.278 13.883 -4.095 1.00 0.00 C ATOM 580 CD2 PHE A 39 -1.470 14.311 -2.513 1.00 0.00 C ATOM 581 CE1 PHE A 39 -2.514 14.469 -5.114 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.693 14.848 -3.552 1.00 0.00 C ATOM 583 CZ PHE A 39 -1.218 14.944 -4.852 1.00 0.00 C ATOM 0 H PHE A 39 -3.221 15.597 -0.650 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.457 14.441 -2.126 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.029 13.171 -0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.089 12.391 -1.929 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.252 13.472 -4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.074 14.265 -1.509 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.925 14.556 -6.109 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.312 15.189 -3.351 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.629 15.380 -5.645 1.00 0.00 H new ATOM 592 N LYS A 40 -5.159 14.177 1.109 1.00 0.00 N ATOM 593 CA LYS A 40 -5.598 13.722 2.439 1.00 0.00 C ATOM 594 C LYS A 40 -6.111 12.275 2.464 1.00 0.00 C ATOM 595 O LYS A 40 -7.142 11.969 3.064 1.00 0.00 O ATOM 596 CB LYS A 40 -6.537 14.764 3.075 1.00 0.00 C ATOM 597 CG LYS A 40 -7.701 15.180 2.159 1.00 0.00 C ATOM 598 CD LYS A 40 -8.973 15.541 2.936 1.00 0.00 C ATOM 599 CE LYS A 40 -9.643 14.273 3.480 1.00 0.00 C ATOM 600 NZ LYS A 40 -10.836 14.596 4.302 1.00 0.00 N ATOM 0 H LYS A 40 -4.429 14.884 1.198 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.721 13.663 3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.942 14.359 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.959 15.649 3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.395 16.035 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.922 14.366 1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.726 16.212 3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.665 16.076 2.285 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.936 13.630 2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.927 13.712 4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.264 13.716 4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.552 15.189 5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.529 15.110 3.721 1.00 0.00 H new ATOM 610 N VAL A 41 -5.361 11.392 1.798 1.00 0.00 N ATOM 611 CA VAL A 41 -5.616 9.942 1.734 1.00 0.00 C ATOM 612 C VAL A 41 -5.051 9.277 3.003 1.00 0.00 C ATOM 613 O VAL A 41 -3.984 9.652 3.497 1.00 0.00 O ATOM 614 CB VAL A 41 -5.080 9.321 0.424 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.623 9.720 0.139 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.119 7.788 0.428 1.00 0.00 C ATOM 0 H VAL A 41 -4.533 11.671 1.271 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.690 9.760 1.710 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.746 9.712 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.295 9.258 -0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.553 10.804 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.986 9.381 0.956 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.730 7.412 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.507 7.411 1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.147 7.451 0.558 1.00 0.00 H new ATOM 626 N ALA A 42 -5.767 8.302 3.553 1.00 0.00 N ATOM 627 CA ALA A 42 -5.411 7.487 4.704 1.00 0.00 C ATOM 628 C ALA A 42 -4.477 6.321 4.329 1.00 0.00 C ATOM 629 O ALA A 42 -4.349 5.900 3.174 1.00 0.00 O ATOM 630 CB ALA A 42 -6.692 6.951 5.362 1.00 0.00 C ATOM 0 H ALA A 42 -6.679 8.043 3.176 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.865 8.118 5.405 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.429 6.340 6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.312 7.787 5.685 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.244 6.346 4.643 1.00 0.00 H new ATOM 636 N ARG A 43 -3.869 5.725 5.353 1.00 0.00 N ATOM 637 CA ARG A 43 -2.893 4.638 5.241 1.00 0.00 C ATOM 638 C ARG A 43 -3.463 3.352 4.634 1.00 0.00 C ATOM 639 O ARG A 43 -2.725 2.593 4.011 1.00 0.00 O ATOM 640 CB ARG A 43 -2.232 4.454 6.621 1.00 0.00 C ATOM 641 CG ARG A 43 -1.351 3.200 6.749 1.00 0.00 C ATOM 642 CD ARG A 43 -2.150 1.984 7.252 1.00 0.00 C ATOM 643 NE ARG A 43 -1.645 0.739 6.655 1.00 0.00 N ATOM 644 CZ ARG A 43 -2.310 -0.357 6.359 1.00 0.00 C ATOM 645 NH1 ARG A 43 -3.525 -0.562 6.769 1.00 0.00 N ATOM 646 NH2 ARG A 43 -1.735 -1.260 5.630 1.00 0.00 N ATOM 0 H ARG A 43 -4.048 5.995 6.320 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.126 4.911 4.516 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.624 5.332 6.838 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.013 4.412 7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.908 2.968 5.781 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.529 3.403 7.435 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.083 1.924 8.338 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.204 2.109 7.004 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.648 0.723 6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.995 0.139 7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.009 -1.424 6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.782 -1.115 5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.235 -2.116 5.390 1.00 0.00 H new ATOM 657 N ARG A 44 -4.772 3.115 4.748 1.00 0.00 N ATOM 658 CA ARG A 44 -5.433 1.888 4.279 1.00 0.00 C ATOM 659 C ARG A 44 -5.405 1.784 2.757 1.00 0.00 C ATOM 660 O ARG A 44 -5.256 0.695 2.205 1.00 0.00 O ATOM 661 CB ARG A 44 -6.884 1.866 4.792 1.00 0.00 C ATOM 662 CG ARG A 44 -7.017 1.248 6.196 1.00 0.00 C ATOM 663 CD ARG A 44 -6.649 2.194 7.349 1.00 0.00 C ATOM 664 NE ARG A 44 -6.694 1.483 8.645 1.00 0.00 N ATOM 665 CZ ARG A 44 -7.356 1.802 9.746 1.00 0.00 C ATOM 666 NH1 ARG A 44 -8.096 2.862 9.876 1.00 0.00 N ATOM 667 NH2 ARG A 44 -7.300 1.025 10.787 1.00 0.00 N ATOM 0 H ARG A 44 -5.416 3.780 5.176 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.890 1.029 4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.272 2.884 4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.502 1.302 4.093 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.044 0.911 6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.381 0.364 6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.651 2.602 7.187 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.339 3.038 7.368 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.138 0.629 8.698 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.195 3.513 9.097 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.578 3.043 10.757 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.746 0.169 10.755 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.810 1.271 11.635 1.00 0.00 H new ATOM 678 N THR A 45 -5.539 2.924 2.091 1.00 0.00 N ATOM 679 CA THR A 45 -5.644 3.100 0.657 1.00 0.00 C ATOM 680 C THR A 45 -4.260 3.149 0.055 1.00 0.00 C ATOM 681 O THR A 45 -3.954 2.437 -0.902 1.00 0.00 O ATOM 682 CB THR A 45 -6.329 4.452 0.426 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.468 4.554 1.251 1.00 0.00 O ATOM 684 CG2 THR A 45 -6.719 4.648 -1.027 1.00 0.00 C ATOM 0 H THR A 45 -5.580 3.817 2.583 1.00 0.00 H new ATOM 0 HA THR A 45 -6.203 2.282 0.203 1.00 0.00 H new ATOM 0 HB THR A 45 -5.617 5.236 0.682 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.903 5.420 1.103 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.201 5.618 -1.147 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.827 4.607 -1.652 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.410 3.860 -1.328 1.00 0.00 H new ATOM 692 N VAL A 46 -3.406 3.977 0.659 1.00 0.00 N ATOM 693 CA VAL A 46 -2.074 4.251 0.157 1.00 0.00 C ATOM 694 C VAL A 46 -1.196 2.994 0.194 1.00 0.00 C ATOM 695 O VAL A 46 -0.331 2.803 -0.664 1.00 0.00 O ATOM 696 CB VAL A 46 -1.475 5.439 0.933 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.614 5.017 2.116 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.619 6.317 0.022 1.00 0.00 C ATOM 0 H VAL A 46 -3.630 4.478 1.519 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.125 4.536 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.335 5.992 1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.224 5.903 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.217 4.439 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.216 4.406 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.209 7.147 0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.197 5.725 -0.392 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.233 6.706 -0.790 1.00 0.00 H new ATOM 708 N ALA A 47 -1.465 2.103 1.159 1.00 0.00 N ATOM 709 CA ALA A 47 -0.808 0.820 1.316 1.00 0.00 C ATOM 710 C ALA A 47 -1.119 -0.095 0.133 1.00 0.00 C ATOM 711 O ALA A 47 -0.219 -0.666 -0.485 1.00 0.00 O ATOM 712 CB ALA A 47 -1.293 0.172 2.617 1.00 0.00 C ATOM 0 H ALA A 47 -2.174 2.273 1.872 1.00 0.00 H new ATOM 0 HA ALA A 47 0.271 0.972 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.805 -0.794 2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.046 0.818 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.373 0.030 2.572 1.00 0.00 H new ATOM 718 N LYS A 48 -2.409 -0.199 -0.211 1.00 0.00 N ATOM 719 CA LYS A 48 -2.889 -1.051 -1.300 1.00 0.00 C ATOM 720 C LYS A 48 -2.470 -0.544 -2.684 1.00 0.00 C ATOM 721 O LYS A 48 -2.498 -1.305 -3.652 1.00 0.00 O ATOM 722 CB LYS A 48 -4.413 -1.233 -1.167 1.00 0.00 C ATOM 723 CG LYS A 48 -4.726 -2.465 -0.299 1.00 0.00 C ATOM 724 CD LYS A 48 -6.235 -2.700 -0.120 1.00 0.00 C ATOM 725 CE LYS A 48 -6.865 -1.824 0.972 1.00 0.00 C ATOM 726 NZ LYS A 48 -6.463 -2.274 2.329 1.00 0.00 N ATOM 0 H LYS A 48 -3.153 0.311 0.265 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.413 -2.027 -1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.856 -0.342 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.860 -1.351 -2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.277 -3.348 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.264 -2.341 0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.740 -2.506 -1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.405 -3.749 0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.563 -0.787 0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.951 -1.855 0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.312 -2.490 2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.874 -3.127 2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.921 -1.521 2.798 1.00 0.00 H new ATOM 736 N TYR A 49 -2.042 0.715 -2.785 1.00 0.00 N ATOM 737 CA TYR A 49 -1.599 1.329 -4.034 1.00 0.00 C ATOM 738 C TYR A 49 -0.158 0.970 -4.371 1.00 0.00 C ATOM 739 O TYR A 49 0.094 0.514 -5.488 1.00 0.00 O ATOM 740 CB TYR A 49 -1.845 2.842 -4.010 1.00 0.00 C ATOM 741 CG TYR A 49 -3.252 3.201 -4.461 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.352 2.361 -4.184 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.428 4.323 -5.286 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.594 2.602 -4.795 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.666 4.566 -5.910 1.00 0.00 C ATOM 746 CZ TYR A 49 -5.742 3.684 -5.687 1.00 0.00 C ATOM 747 OH TYR A 49 -6.929 3.878 -6.312 1.00 0.00 O ATOM 0 H TYR A 49 -1.993 1.347 -1.986 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.201 0.917 -4.844 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.681 3.219 -3.001 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.120 3.337 -4.657 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.239 1.532 -3.501 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.606 5.006 -5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.435 1.959 -4.582 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.790 5.423 -6.556 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.868 4.665 -6.892 1.00 0.00 H new ATOM 756 N ARG A 50 0.779 1.074 -3.418 1.00 0.00 N ATOM 757 CA ARG A 50 2.178 0.668 -3.672 1.00 0.00 C ATOM 758 C ARG A 50 2.306 -0.786 -4.144 1.00 0.00 C ATOM 759 O ARG A 50 3.236 -1.100 -4.885 1.00 0.00 O ATOM 760 CB ARG A 50 3.116 1.013 -2.495 1.00 0.00 C ATOM 761 CG ARG A 50 2.695 0.539 -1.095 1.00 0.00 C ATOM 762 CD ARG A 50 3.832 0.671 -0.063 1.00 0.00 C ATOM 763 NE ARG A 50 4.493 1.993 -0.090 1.00 0.00 N ATOM 764 CZ ARG A 50 5.609 2.337 0.528 1.00 0.00 C ATOM 765 NH1 ARG A 50 6.204 1.579 1.396 1.00 0.00 N ATOM 766 NH2 ARG A 50 6.176 3.481 0.277 1.00 0.00 N ATOM 0 H ARG A 50 0.603 1.429 -2.478 1.00 0.00 H new ATOM 0 HA ARG A 50 2.520 1.272 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.098 0.593 -2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.233 2.096 -2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.836 1.120 -0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.375 -0.502 -1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.431 0.493 0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.576 -0.104 -0.250 1.00 0.00 H new ATOM 0 HE ARG A 50 4.039 2.718 -0.646 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.811 0.667 1.631 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.064 1.895 1.844 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.759 4.119 -0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.037 3.740 0.758 1.00 0.00 H new ATOM 777 N GLU A 51 1.317 -1.625 -3.833 1.00 0.00 N ATOM 778 CA GLU A 51 1.225 -3.018 -4.293 1.00 0.00 C ATOM 779 C GLU A 51 1.004 -3.127 -5.809 1.00 0.00 C ATOM 780 O GLU A 51 1.684 -3.907 -6.482 1.00 0.00 O ATOM 781 CB GLU A 51 0.097 -3.729 -3.521 1.00 0.00 C ATOM 782 CG GLU A 51 0.111 -5.264 -3.624 1.00 0.00 C ATOM 783 CD GLU A 51 -0.430 -5.833 -4.954 1.00 0.00 C ATOM 784 OE1 GLU A 51 -1.498 -5.383 -5.436 1.00 0.00 O ATOM 785 OE2 GLU A 51 0.190 -6.777 -5.506 1.00 0.00 O ATOM 0 H GLU A 51 0.535 -1.350 -3.238 1.00 0.00 H new ATOM 0 HA GLU A 51 2.179 -3.505 -4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.163 -3.449 -2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.862 -3.363 -3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.134 -5.613 -3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.479 -5.674 -2.804 1.00 0.00 H new ATOM 790 N MET A 52 0.057 -2.356 -6.354 1.00 0.00 N ATOM 791 CA MET A 52 -0.391 -2.486 -7.750 1.00 0.00 C ATOM 792 C MET A 52 0.487 -1.718 -8.751 1.00 0.00 C ATOM 793 O MET A 52 0.554 -2.098 -9.924 1.00 0.00 O ATOM 794 CB MET A 52 -1.876 -2.102 -7.884 1.00 0.00 C ATOM 795 CG MET A 52 -2.158 -0.605 -7.733 1.00 0.00 C ATOM 796 SD MET A 52 -3.899 -0.151 -7.948 1.00 0.00 S ATOM 797 CE MET A 52 -3.722 1.649 -7.848 1.00 0.00 C ATOM 0 H MET A 52 -0.425 -1.619 -5.838 1.00 0.00 H new ATOM 0 HA MET A 52 -0.279 -3.538 -8.014 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.237 -2.431 -8.858 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.448 -2.645 -7.132 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.830 -0.283 -6.745 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.559 -0.059 -8.462 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.708 2.113 -7.870 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.217 1.914 -6.919 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.134 2.004 -8.694 1.00 0.00 H new ATOM 805 N LEU A 53 1.175 -0.659 -8.304 1.00 0.00 N ATOM 806 CA LEU A 53 2.124 0.109 -9.111 1.00 0.00 C ATOM 807 C LEU A 53 3.409 -0.684 -9.392 1.00 0.00 C ATOM 808 O LEU A 53 3.728 -0.948 -10.555 1.00 0.00 O ATOM 809 CB LEU A 53 2.390 1.445 -8.404 1.00 0.00 C ATOM 810 CG LEU A 53 1.249 2.436 -8.699 1.00 0.00 C ATOM 811 CD1 LEU A 53 0.864 3.197 -7.436 1.00 0.00 C ATOM 812 CD2 LEU A 53 1.745 3.391 -9.778 1.00 0.00 C ATOM 0 H LEU A 53 1.083 -0.307 -7.351 1.00 0.00 H new ATOM 0 HA LEU A 53 1.696 0.311 -10.093 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.475 1.286 -7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.340 1.861 -8.741 1.00 0.00 H new ATOM 0 HG LEU A 53 0.359 1.908 -9.041 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.056 3.893 -7.663 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.533 2.492 -6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.727 3.751 -7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.962 4.111 -10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.627 3.920 -9.418 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.002 2.826 -10.674 1.00 0.00 H new ATOM 823 N GLY A 54 4.128 -1.090 -8.341 1.00 0.00 N ATOM 824 CA GLY A 54 5.274 -1.997 -8.472 1.00 0.00 C ATOM 825 C GLY A 54 6.204 -2.169 -7.264 1.00 0.00 C ATOM 826 O GLY A 54 7.271 -2.768 -7.423 1.00 0.00 O ATOM 0 H GLY A 54 3.935 -0.802 -7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.891 -2.982 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.878 -1.651 -9.311 1.00 0.00 H new ATOM 830 N ILE A 55 5.868 -1.641 -6.083 1.00 0.00 N ATOM 831 CA ILE A 55 6.733 -1.656 -4.889 1.00 0.00 C ATOM 832 C ILE A 55 6.372 -2.839 -3.960 1.00 0.00 C ATOM 833 O ILE A 55 5.196 -3.017 -3.624 1.00 0.00 O ATOM 834 CB ILE A 55 6.648 -0.285 -4.183 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.420 0.769 -5.008 1.00 0.00 C ATOM 836 CG2 ILE A 55 7.201 -0.307 -2.745 1.00 0.00 C ATOM 837 CD1 ILE A 55 6.879 2.191 -4.809 1.00 0.00 C ATOM 0 H ILE A 55 4.972 -1.182 -5.922 1.00 0.00 H new ATOM 0 HA ILE A 55 7.771 -1.814 -5.183 1.00 0.00 H new ATOM 0 HB ILE A 55 5.590 -0.030 -4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.473 0.743 -4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.365 0.508 -6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.112 0.687 -2.306 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.633 -1.020 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.250 -0.603 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.459 2.889 -5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.834 2.229 -5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.959 2.467 -3.758 1.00 0.00 H new ATOM 848 N PRO A 56 7.356 -3.646 -3.514 1.00 0.00 N ATOM 849 CA PRO A 56 7.139 -4.748 -2.571 1.00 0.00 C ATOM 850 C PRO A 56 6.798 -4.220 -1.165 1.00 0.00 C ATOM 851 O PRO A 56 5.721 -4.492 -0.632 1.00 0.00 O ATOM 852 CB PRO A 56 8.420 -5.590 -2.626 1.00 0.00 C ATOM 853 CG PRO A 56 9.504 -4.619 -3.100 1.00 0.00 C ATOM 854 CD PRO A 56 8.756 -3.553 -3.894 1.00 0.00 C ATOM 0 HA PRO A 56 6.279 -5.364 -2.835 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.662 -6.007 -1.648 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.313 -6.430 -3.313 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.038 -4.181 -2.257 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.245 -5.125 -3.719 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.150 -2.561 -3.675 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.877 -3.714 -4.965 1.00 0.00 H new ATOM 859 N SER A 57 7.704 -3.424 -0.590 1.00 0.00 N ATOM 860 CA SER A 57 7.491 -2.612 0.625 1.00 0.00 C ATOM 861 C SER A 57 8.408 -1.390 0.748 1.00 0.00 C ATOM 862 O SER A 57 8.325 -0.611 1.698 1.00 0.00 O ATOM 863 CB SER A 57 7.704 -3.475 1.862 1.00 0.00 C ATOM 864 OG SER A 57 9.037 -3.958 1.916 1.00 0.00 O ATOM 0 H SER A 57 8.645 -3.319 -0.969 1.00 0.00 H new ATOM 0 HA SER A 57 6.469 -2.242 0.544 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.486 -2.894 2.758 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.009 -4.314 1.850 1.00 0.00 H new ATOM 0 HG SER A 57 9.153 -4.508 2.719 1.00 0.00 H new ATOM 869 N SER A 58 9.344 -1.234 -0.190 1.00 0.00 N ATOM 870 CA SER A 58 10.493 -0.309 -0.204 1.00 0.00 C ATOM 871 C SER A 58 11.499 -0.456 0.953 1.00 0.00 C ATOM 872 O SER A 58 12.605 0.079 0.837 1.00 0.00 O ATOM 873 CB SER A 58 10.046 1.152 -0.401 1.00 0.00 C ATOM 874 OG SER A 58 9.350 1.642 0.731 1.00 0.00 O ATOM 0 H SER A 58 9.320 -1.800 -1.038 1.00 0.00 H new ATOM 0 HA SER A 58 11.067 -0.621 -1.077 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.918 1.777 -0.591 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.406 1.222 -1.281 1.00 0.00 H new ATOM 0 HG SER A 58 9.131 0.897 1.328 1.00 0.00 H new ATOM 879 N ARG A 59 11.210 -1.233 2.018 1.00 0.00 N ATOM 880 CA ARG A 59 12.205 -1.536 3.068 1.00 0.00 C ATOM 881 C ARG A 59 13.117 -2.680 2.644 1.00 0.00 C ATOM 882 O ARG A 59 14.299 -2.673 2.978 1.00 0.00 O ATOM 883 CB ARG A 59 11.572 -1.758 4.459 1.00 0.00 C ATOM 884 CG ARG A 59 10.617 -2.958 4.595 1.00 0.00 C ATOM 885 CD ARG A 59 10.259 -3.282 6.055 1.00 0.00 C ATOM 886 NE ARG A 59 11.408 -3.816 6.818 1.00 0.00 N ATOM 887 CZ ARG A 59 11.394 -4.300 8.048 1.00 0.00 C ATOM 888 NH1 ARG A 59 10.300 -4.413 8.743 1.00 0.00 N ATOM 889 NH2 ARG A 59 12.498 -4.687 8.618 1.00 0.00 N ATOM 0 H ARG A 59 10.297 -1.661 2.173 1.00 0.00 H new ATOM 0 HA ARG A 59 12.828 -0.649 3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.376 -1.878 5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.027 -0.855 4.734 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.702 -2.751 4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.076 -3.834 4.137 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.891 -2.380 6.544 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.447 -4.008 6.073 1.00 0.00 H new ATOM 0 HE ARG A 59 12.311 -3.810 6.343 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.408 -4.123 8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.334 -4.792 9.689 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.383 -4.618 8.115 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.478 -5.059 9.567 1.00 0.00 H new ATOM 900 N GLU A 60 12.599 -3.611 1.840 1.00 0.00 N ATOM 901 CA GLU A 60 13.388 -4.706 1.266 1.00 0.00 C ATOM 902 C GLU A 60 14.315 -4.247 0.120 1.00 0.00 C ATOM 903 O GLU A 60 15.355 -4.867 -0.116 1.00 0.00 O ATOM 904 CB GLU A 60 12.483 -5.896 0.898 1.00 0.00 C ATOM 905 CG GLU A 60 11.655 -5.768 -0.391 1.00 0.00 C ATOM 906 CD GLU A 60 12.431 -6.233 -1.641 1.00 0.00 C ATOM 907 OE1 GLU A 60 12.697 -7.454 -1.772 1.00 0.00 O ATOM 908 OE2 GLU A 60 12.752 -5.397 -2.517 1.00 0.00 O ATOM 0 H GLU A 60 11.616 -3.628 1.567 1.00 0.00 H new ATOM 0 HA GLU A 60 14.074 -5.060 2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 60 13.109 -6.784 0.812 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.796 -6.069 1.727 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.743 -6.357 -0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.351 -4.730 -0.522 1.00 0.00 H new ATOM 913 N ARG A 61 13.985 -3.125 -0.543 1.00 0.00 N ATOM 914 CA ARG A 61 14.847 -2.438 -1.520 1.00 0.00 C ATOM 915 C ARG A 61 16.018 -1.707 -0.854 1.00 0.00 C ATOM 916 O ARG A 61 17.122 -1.692 -1.405 1.00 0.00 O ATOM 917 CB ARG A 61 14.006 -1.452 -2.351 1.00 0.00 C ATOM 918 CG ARG A 61 12.990 -2.204 -3.223 1.00 0.00 C ATOM 919 CD ARG A 61 12.255 -1.278 -4.195 1.00 0.00 C ATOM 920 NE ARG A 61 11.571 -2.081 -5.228 1.00 0.00 N ATOM 921 CZ ARG A 61 10.814 -1.664 -6.226 1.00 0.00 C ATOM 922 NH1 ARG A 61 10.568 -0.410 -6.465 1.00 0.00 N ATOM 923 NH2 ARG A 61 10.271 -2.538 -7.021 1.00 0.00 N ATOM 0 H ARG A 61 13.088 -2.659 -0.410 1.00 0.00 H new ATOM 0 HA ARG A 61 15.276 -3.199 -2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.483 -0.763 -1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.660 -0.851 -2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.505 -2.982 -3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.264 -2.703 -2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.530 -0.670 -3.655 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.961 -0.592 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 61 11.700 -3.091 -5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.968 0.312 -5.865 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.975 -0.148 -7.252 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.432 -3.534 -6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.684 -2.228 -7.795 1.00 0.00 H new ATOM 934 N ARG A 62 15.785 -1.110 0.322 1.00 0.00 N ATOM 935 CA ARG A 62 16.764 -0.376 1.127 1.00 0.00 C ATOM 936 C ARG A 62 17.782 -1.296 1.813 1.00 0.00 C ATOM 937 O ARG A 62 18.988 -1.114 1.624 1.00 0.00 O ATOM 938 CB ARG A 62 15.954 0.456 2.129 1.00 0.00 C ATOM 939 CG ARG A 62 16.801 1.205 3.164 1.00 0.00 C ATOM 940 CD ARG A 62 16.259 0.928 4.564 1.00 0.00 C ATOM 941 NE ARG A 62 17.009 1.682 5.581 1.00 0.00 N ATOM 942 CZ ARG A 62 16.986 1.523 6.890 1.00 0.00 C ATOM 943 NH1 ARG A 62 16.274 0.595 7.465 1.00 0.00 N ATOM 944 NH2 ARG A 62 17.686 2.311 7.654 1.00 0.00 N ATOM 0 H ARG A 62 14.863 -1.128 0.757 1.00 0.00 H new ATOM 0 HA ARG A 62 17.377 0.266 0.494 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.352 1.179 1.579 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.261 -0.203 2.653 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.842 0.887 3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.780 2.276 2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.204 1.200 4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.323 -0.139 4.777 1.00 0.00 H new ATOM 0 HE ARG A 62 17.622 2.418 5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.709 -0.039 6.899 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.281 0.502 8.481 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.252 3.052 7.240 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.668 2.188 8.666 1.00 0.00 H new ATOM 955 N ILE A 63 17.300 -2.216 2.660 1.00 0.00 N ATOM 956 CA ILE A 63 18.102 -3.015 3.615 1.00 0.00 C ATOM 957 C ILE A 63 19.236 -3.834 2.966 1.00 0.00 C ATOM 958 O ILE A 63 19.044 -4.414 1.871 1.00 0.00 O ATOM 959 CB ILE A 63 17.160 -3.843 4.526 1.00 0.00 C ATOM 960 CG1 ILE A 63 17.833 -4.330 5.825 1.00 0.00 C ATOM 961 CG2 ILE A 63 16.565 -5.048 3.783 1.00 0.00 C ATOM 962 CD1 ILE A 63 18.212 -3.192 6.782 1.00 0.00 C ATOM 963 OXT ILE A 63 20.341 -3.876 3.556 1.00 0.00 O ATOM 0 H ILE A 63 16.305 -2.437 2.706 1.00 0.00 H new ATOM 0 HA ILE A 63 18.651 -2.318 4.249 1.00 0.00 H new ATOM 0 HB ILE A 63 16.362 -3.155 4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.160 -5.017 6.338 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.730 -4.894 5.571 1.00 0.00 H new ATOM 0 HG21 ILE A 63 15.911 -5.603 4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 63 15.991 -4.699 2.924 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.370 -5.699 3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.680 -3.608 7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 63 18.910 -2.517 6.286 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.315 -2.642 7.066 1.00 0.00 H new