USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -174:sc= 2.03 (180deg=1.98) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0.133 USER MOD Single : A 9 ASN : amide:sc= -0.0802 K(o=-0.08,f=-1) USER MOD Single : A 11 ASN : amide:sc= 1.17 K(o=1.2,f=-0.82) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -170:sc= 0.884 (180deg=0.751) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= 1.06 (180deg=0.757) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0324 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 108:sc= 0.521 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.986 -5.997 2.825 1.00 10.00 N ATOM 2 CA ALA A 1 -6.208 -4.752 2.051 1.00 10.00 C ATOM 3 C ALA A 1 -5.647 -4.878 0.627 1.00 10.00 C ATOM 4 O ALA A 1 -6.428 -4.997 -0.320 1.00 10.00 O ATOM 5 CB ALA A 1 -5.686 -3.498 2.779 1.00 10.00 C ATOM 0 H1 ALA A 1 -6.375 -5.884 3.783 1.00 10.00 H new ATOM 0 H2 ALA A 1 -6.461 -6.791 2.350 1.00 10.00 H new ATOM 0 H3 ALA A 1 -4.966 -6.191 2.886 1.00 10.00 H new ATOM 0 HA ALA A 1 -7.286 -4.616 1.966 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -5.875 -2.616 2.166 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -6.199 -3.392 3.735 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -4.614 -3.597 2.951 1.00 10.00 H new ATOM 13 N ILE A 2 -4.315 -4.846 0.447 1.00 10.00 N ATOM 14 CA ILE A 2 -3.688 -5.134 -0.848 1.00 10.00 C ATOM 15 C ILE A 2 -4.020 -6.557 -1.328 1.00 10.00 C ATOM 16 O ILE A 2 -4.454 -7.422 -0.559 1.00 10.00 O ATOM 17 CB ILE A 2 -2.160 -4.847 -0.836 1.00 10.00 C ATOM 18 CG1 ILE A 2 -1.351 -5.374 0.374 1.00 10.00 C ATOM 19 CG2 ILE A 2 -1.929 -3.331 -0.955 1.00 10.00 C ATOM 20 CD1 ILE A 2 -1.407 -6.891 0.587 1.00 10.00 C ATOM 0 H ILE A 2 -3.652 -4.622 1.189 1.00 10.00 H new ATOM 0 HA ILE A 2 -4.117 -4.447 -1.578 1.00 10.00 H new ATOM 0 HB ILE A 2 -1.781 -5.411 -1.688 1.00 10.00 H new ATOM 0 HG12 ILE A 2 -0.309 -5.079 0.250 1.00 10.00 H new ATOM 0 HG13 ILE A 2 -1.716 -4.883 1.276 1.00 10.00 H new ATOM 0 HG21 ILE A 2 -0.859 -3.124 -0.947 1.00 10.00 H new ATOM 0 HG22 ILE A 2 -2.362 -2.969 -1.888 1.00 10.00 H new ATOM 0 HG23 ILE A 2 -2.403 -2.824 -0.115 1.00 10.00 H new ATOM 0 HD11 ILE A 2 -0.809 -7.158 1.458 1.00 10.00 H new ATOM 0 HD12 ILE A 2 -2.440 -7.198 0.748 1.00 10.00 H new ATOM 0 HD13 ILE A 2 -1.012 -7.397 -0.294 1.00 10.00 H new ATOM 32 N LYS A 3 -3.780 -6.790 -2.615 1.00 10.00 N ATOM 33 CA LYS A 3 -3.915 -8.051 -3.327 1.00 10.00 C ATOM 34 C LYS A 3 -2.687 -8.166 -4.232 1.00 10.00 C ATOM 35 O LYS A 3 -2.018 -7.162 -4.506 1.00 10.00 O ATOM 36 CB LYS A 3 -5.219 -8.049 -4.154 1.00 10.00 C ATOM 37 CG LYS A 3 -6.486 -7.944 -3.281 1.00 10.00 C ATOM 38 CD LYS A 3 -7.796 -7.965 -4.086 1.00 10.00 C ATOM 39 CE LYS A 3 -7.914 -6.744 -5.009 1.00 10.00 C ATOM 40 NZ LYS A 3 -9.227 -6.675 -5.695 1.00 10.00 N ATOM 0 H LYS A 3 -3.462 -6.043 -3.232 1.00 10.00 H new ATOM 0 HA LYS A 3 -3.970 -8.899 -2.645 1.00 10.00 H new ATOM 0 HB2 LYS A 3 -5.197 -7.214 -4.855 1.00 10.00 H new ATOM 0 HB3 LYS A 3 -5.268 -8.962 -4.747 1.00 10.00 H new ATOM 0 HG2 LYS A 3 -6.495 -8.769 -2.569 1.00 10.00 H new ATOM 0 HG3 LYS A 3 -6.441 -7.022 -2.701 1.00 10.00 H new ATOM 0 HD2 LYS A 3 -7.843 -8.877 -4.681 1.00 10.00 H new ATOM 0 HD3 LYS A 3 -8.644 -7.987 -3.401 1.00 10.00 H new ATOM 0 HE2 LYS A 3 -7.765 -5.836 -4.425 1.00 10.00 H new ATOM 0 HE3 LYS A 3 -7.120 -6.778 -5.755 1.00 10.00 H new ATOM 0 HZ1 LYS A 3 -9.220 -5.893 -6.381 1.00 10.00 H new ATOM 0 HZ2 LYS A 3 -9.406 -7.571 -6.193 1.00 10.00 H new ATOM 0 HZ3 LYS A 3 -9.977 -6.513 -4.993 1.00 10.00 H new ATOM 54 N LEU A 4 -2.398 -9.373 -4.708 1.00 10.00 N ATOM 55 CA LEU A 4 -1.270 -9.661 -5.589 1.00 10.00 C ATOM 56 C LEU A 4 -1.862 -10.246 -6.864 1.00 10.00 C ATOM 57 O LEU A 4 -2.785 -11.061 -6.791 1.00 10.00 O ATOM 58 CB LEU A 4 -0.291 -10.652 -4.928 1.00 10.00 C ATOM 59 CG LEU A 4 0.322 -10.182 -3.593 1.00 10.00 C ATOM 60 CD1 LEU A 4 1.260 -11.258 -3.036 1.00 10.00 C ATOM 61 CD2 LEU A 4 1.099 -8.870 -3.735 1.00 10.00 C ATOM 0 H LEU A 4 -2.955 -10.198 -4.487 1.00 10.00 H new ATOM 0 HA LEU A 4 -0.697 -8.758 -5.801 1.00 10.00 H new ATOM 0 HB2 LEU A 4 -0.813 -11.594 -4.758 1.00 10.00 H new ATOM 0 HB3 LEU A 4 0.519 -10.859 -5.628 1.00 10.00 H new ATOM 0 HG LEU A 4 -0.509 -10.009 -2.909 1.00 10.00 H new ATOM 0 HD11 LEU A 4 1.687 -10.916 -2.093 1.00 10.00 H new ATOM 0 HD12 LEU A 4 0.700 -12.178 -2.868 1.00 10.00 H new ATOM 0 HD13 LEU A 4 2.061 -11.447 -3.750 1.00 10.00 H new ATOM 0 HD21 LEU A 4 1.510 -8.584 -2.767 1.00 10.00 H new ATOM 0 HD22 LEU A 4 1.912 -9.004 -4.449 1.00 10.00 H new ATOM 0 HD23 LEU A 4 0.429 -8.087 -4.091 1.00 10.00 H new ATOM 73 N VAL A 5 -1.360 -9.825 -8.024 1.00 10.00 N ATOM 74 CA VAL A 5 -1.966 -10.134 -9.317 1.00 10.00 C ATOM 75 C VAL A 5 -0.840 -10.428 -10.311 1.00 10.00 C ATOM 76 O VAL A 5 0.245 -9.851 -10.202 1.00 10.00 O ATOM 77 CB VAL A 5 -2.865 -8.959 -9.788 1.00 10.00 C ATOM 78 CG1 VAL A 5 -3.762 -9.392 -10.959 1.00 10.00 C ATOM 79 CG2 VAL A 5 -3.791 -8.394 -8.693 1.00 10.00 C ATOM 0 H VAL A 5 -0.516 -9.256 -8.093 1.00 10.00 H new ATOM 0 HA VAL A 5 -2.611 -11.010 -9.240 1.00 10.00 H new ATOM 0 HB VAL A 5 -2.162 -8.179 -10.081 1.00 10.00 H new ATOM 0 HG11 VAL A 5 -4.383 -8.552 -11.272 1.00 10.00 H new ATOM 0 HG12 VAL A 5 -3.140 -9.714 -11.794 1.00 10.00 H new ATOM 0 HG13 VAL A 5 -4.400 -10.217 -10.643 1.00 10.00 H new ATOM 0 HG21 VAL A 5 -4.384 -7.577 -9.104 1.00 10.00 H new ATOM 0 HG22 VAL A 5 -4.455 -9.181 -8.336 1.00 10.00 H new ATOM 0 HG23 VAL A 5 -3.189 -8.023 -7.863 1.00 10.00 H new ATOM 89 N GLN A 6 -1.106 -11.310 -11.280 1.00 10.00 N ATOM 90 CA GLN A 6 -0.214 -11.646 -12.381 1.00 10.00 C ATOM 91 C GLN A 6 -1.092 -11.832 -13.618 1.00 10.00 C ATOM 92 O GLN A 6 -2.039 -12.620 -13.565 1.00 10.00 O ATOM 93 CB GLN A 6 0.551 -12.953 -12.092 1.00 10.00 C ATOM 94 CG GLN A 6 1.350 -12.943 -10.781 1.00 10.00 C ATOM 95 CD GLN A 6 2.261 -14.166 -10.652 1.00 10.00 C ATOM 96 OE1 GLN A 6 1.832 -15.308 -10.806 1.00 10.00 O ATOM 97 NE2 GLN A 6 3.538 -13.965 -10.362 1.00 10.00 N ATOM 0 H GLN A 6 -1.985 -11.827 -11.315 1.00 10.00 H new ATOM 0 HA GLN A 6 0.524 -10.857 -12.524 1.00 10.00 H new ATOM 0 HB2 GLN A 6 -0.161 -13.778 -12.063 1.00 10.00 H new ATOM 0 HB3 GLN A 6 1.234 -13.150 -12.918 1.00 10.00 H new ATOM 0 HG2 GLN A 6 1.952 -12.036 -10.731 1.00 10.00 H new ATOM 0 HG3 GLN A 6 0.661 -12.914 -9.937 1.00 10.00 H new ATOM 0 HE21 GLN A 6 3.889 -13.016 -10.235 1.00 10.00 H new ATOM 0 HE22 GLN A 6 4.170 -14.760 -10.266 1.00 10.00 H new ATOM 106 N SER A 7 -0.817 -11.134 -14.719 1.00 10.00 N ATOM 107 CA SER A 7 -1.526 -11.323 -15.982 1.00 10.00 C ATOM 108 C SER A 7 -0.707 -10.686 -17.108 1.00 10.00 C ATOM 109 O SER A 7 -0.088 -9.640 -16.893 1.00 10.00 O ATOM 110 CB SER A 7 -2.927 -10.690 -15.895 1.00 10.00 C ATOM 111 OG SER A 7 -3.566 -10.632 -17.159 1.00 10.00 O ATOM 0 H SER A 7 -0.092 -10.418 -14.759 1.00 10.00 H new ATOM 0 HA SER A 7 -1.649 -12.386 -16.188 1.00 10.00 H new ATOM 0 HB2 SER A 7 -3.542 -11.267 -15.204 1.00 10.00 H new ATOM 0 HB3 SER A 7 -2.845 -9.684 -15.485 1.00 10.00 H new ATOM 0 HG SER A 7 -4.452 -10.226 -17.059 1.00 10.00 H new ATOM 117 N PRO A 8 -0.705 -11.258 -18.325 1.00 10.00 N ATOM 118 CA PRO A 8 -0.080 -10.626 -19.477 1.00 10.00 C ATOM 119 C PRO A 8 -0.817 -9.350 -19.914 1.00 10.00 C ATOM 120 O PRO A 8 -0.210 -8.518 -20.591 1.00 10.00 O ATOM 121 CB PRO A 8 -0.081 -11.696 -20.574 1.00 10.00 C ATOM 122 CG PRO A 8 -1.298 -12.552 -20.230 1.00 10.00 C ATOM 123 CD PRO A 8 -1.303 -12.533 -18.703 1.00 10.00 C ATOM 0 HA PRO A 8 0.931 -10.290 -19.245 1.00 10.00 H new ATOM 0 HB2 PRO A 8 -0.168 -11.254 -21.567 1.00 10.00 H new ATOM 0 HB3 PRO A 8 0.838 -12.282 -20.565 1.00 10.00 H new ATOM 0 HG2 PRO A 8 -2.216 -12.134 -20.643 1.00 10.00 H new ATOM 0 HG3 PRO A 8 -1.204 -13.565 -20.622 1.00 10.00 H new ATOM 0 HD2 PRO A 8 -2.317 -12.621 -18.313 1.00 10.00 H new ATOM 0 HD3 PRO A 8 -0.732 -13.369 -18.299 1.00 10.00 H new ATOM 131 N ASN A 9 -2.096 -9.167 -19.547 1.00 10.00 N ATOM 132 CA ASN A 9 -2.855 -7.983 -19.961 1.00 10.00 C ATOM 133 C ASN A 9 -2.364 -6.719 -19.242 1.00 10.00 C ATOM 134 O ASN A 9 -2.336 -5.647 -19.848 1.00 10.00 O ATOM 135 CB ASN A 9 -4.360 -8.189 -19.736 1.00 10.00 C ATOM 136 CG ASN A 9 -5.149 -7.018 -20.322 1.00 10.00 C ATOM 137 OD1 ASN A 9 -5.458 -6.058 -19.626 1.00 10.00 O ATOM 138 ND2 ASN A 9 -5.485 -7.058 -21.602 1.00 10.00 N ATOM 0 H ASN A 9 -2.621 -9.822 -18.967 1.00 10.00 H new ATOM 0 HA ASN A 9 -2.686 -7.842 -21.029 1.00 10.00 H new ATOM 0 HB2 ASN A 9 -4.680 -9.121 -20.201 1.00 10.00 H new ATOM 0 HB3 ASN A 9 -4.566 -8.278 -18.669 1.00 10.00 H new ATOM 0 HD21 ASN A 9 -6.006 -6.285 -22.017 1.00 10.00 H new ATOM 0 HD22 ASN A 9 -5.223 -7.862 -22.173 1.00 10.00 H new ATOM 145 N GLY A 10 -1.932 -6.842 -17.979 1.00 10.00 N ATOM 146 CA GLY A 10 -1.288 -5.759 -17.234 1.00 10.00 C ATOM 147 C GLY A 10 -2.176 -4.538 -16.995 1.00 10.00 C ATOM 148 O GLY A 10 -1.648 -3.429 -16.906 1.00 10.00 O ATOM 0 H GLY A 10 -2.022 -7.706 -17.444 1.00 10.00 H new ATOM 0 HA2 GLY A 10 -0.956 -6.145 -16.270 1.00 10.00 H new ATOM 0 HA3 GLY A 10 -0.396 -5.443 -17.775 1.00 10.00 H new ATOM 152 N ASN A 11 -3.496 -4.725 -16.930 1.00 10.00 N ATOM 153 CA ASN A 11 -4.503 -3.670 -16.798 1.00 10.00 C ATOM 154 C ASN A 11 -4.205 -2.729 -15.621 1.00 10.00 C ATOM 155 O ASN A 11 -4.355 -3.115 -14.460 1.00 10.00 O ATOM 156 CB ASN A 11 -5.888 -4.318 -16.645 1.00 10.00 C ATOM 157 CG ASN A 11 -7.018 -3.333 -16.363 1.00 10.00 C ATOM 158 OD1 ASN A 11 -6.926 -2.140 -16.635 1.00 10.00 O ATOM 159 ND2 ASN A 11 -8.122 -3.828 -15.834 1.00 10.00 N ATOM 0 H ASN A 11 -3.910 -5.656 -16.970 1.00 10.00 H new ATOM 0 HA ASN A 11 -4.480 -3.056 -17.698 1.00 10.00 H new ATOM 0 HB2 ASN A 11 -6.121 -4.868 -17.557 1.00 10.00 H new ATOM 0 HB3 ASN A 11 -5.847 -5.047 -15.835 1.00 10.00 H new ATOM 0 HD21 ASN A 11 -8.916 -3.216 -15.645 1.00 10.00 H new ATOM 0 HD22 ASN A 11 -8.181 -4.822 -15.614 1.00 10.00 H new ATOM 166 N PHE A 12 -3.798 -1.491 -15.920 1.00 10.00 N ATOM 167 CA PHE A 12 -3.717 -0.415 -14.938 1.00 10.00 C ATOM 168 C PHE A 12 -5.145 0.047 -14.612 1.00 10.00 C ATOM 169 O PHE A 12 -5.803 0.667 -15.452 1.00 10.00 O ATOM 170 CB PHE A 12 -2.862 0.737 -15.492 1.00 10.00 C ATOM 171 CG PHE A 12 -2.769 1.934 -14.559 1.00 10.00 C ATOM 172 CD1 PHE A 12 -2.002 1.856 -13.380 1.00 10.00 C ATOM 173 CD2 PHE A 12 -3.466 3.122 -14.856 1.00 10.00 C ATOM 174 CE1 PHE A 12 -1.938 2.954 -12.504 1.00 10.00 C ATOM 175 CE2 PHE A 12 -3.394 4.222 -13.983 1.00 10.00 C ATOM 176 CZ PHE A 12 -2.632 4.138 -12.804 1.00 10.00 C ATOM 0 H PHE A 12 -3.514 -1.210 -16.859 1.00 10.00 H new ATOM 0 HA PHE A 12 -3.238 -0.763 -14.023 1.00 10.00 H new ATOM 0 HB2 PHE A 12 -1.857 0.367 -15.695 1.00 10.00 H new ATOM 0 HB3 PHE A 12 -3.280 1.062 -16.445 1.00 10.00 H new ATOM 0 HD1 PHE A 12 -1.462 0.950 -13.148 1.00 10.00 H new ATOM 0 HD2 PHE A 12 -4.058 3.188 -15.757 1.00 10.00 H new ATOM 0 HE1 PHE A 12 -1.354 2.887 -11.598 1.00 10.00 H new ATOM 0 HE2 PHE A 12 -3.925 5.133 -14.218 1.00 10.00 H new ATOM 0 HZ PHE A 12 -2.581 4.981 -12.131 1.00 10.00 H new ATOM 186 N ALA A 13 -5.629 -0.257 -13.403 1.00 10.00 N ATOM 187 CA ALA A 13 -7.010 -0.006 -12.985 1.00 10.00 C ATOM 188 C ALA A 13 -7.195 1.331 -12.236 1.00 10.00 C ATOM 189 O ALA A 13 -8.327 1.670 -11.895 1.00 10.00 O ATOM 190 CB ALA A 13 -7.487 -1.191 -12.133 1.00 10.00 C ATOM 0 H ALA A 13 -5.061 -0.692 -12.676 1.00 10.00 H new ATOM 0 HA ALA A 13 -7.620 0.086 -13.884 1.00 10.00 H new ATOM 0 HB1 ALA A 13 -8.515 -1.019 -11.814 1.00 10.00 H new ATOM 0 HB2 ALA A 13 -7.439 -2.106 -12.723 1.00 10.00 H new ATOM 0 HB3 ALA A 13 -6.847 -1.290 -11.257 1.00 10.00 H new ATOM 196 N ALA A 14 -6.111 2.088 -12.002 1.00 10.00 N ATOM 197 CA ALA A 14 -5.988 3.298 -11.176 1.00 10.00 C ATOM 198 C ALA A 14 -6.574 3.207 -9.754 1.00 10.00 C ATOM 199 O ALA A 14 -5.810 3.218 -8.786 1.00 10.00 O ATOM 200 CB ALA A 14 -6.523 4.527 -11.930 1.00 10.00 C ATOM 0 H ALA A 14 -5.216 1.845 -12.426 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.917 3.407 -11.006 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -6.423 5.412 -11.301 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -5.952 4.668 -12.848 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -7.574 4.374 -12.176 1.00 10.00 H new ATOM 206 N SER A 15 -7.896 3.156 -9.602 1.00 10.00 N ATOM 207 CA SER A 15 -8.604 3.322 -8.334 1.00 10.00 C ATOM 208 C SER A 15 -10.075 2.915 -8.491 1.00 10.00 C ATOM 209 O SER A 15 -10.595 2.883 -9.612 1.00 10.00 O ATOM 210 CB SER A 15 -8.482 4.787 -7.872 1.00 10.00 C ATOM 211 OG SER A 15 -8.666 5.714 -8.936 1.00 10.00 O ATOM 0 H SER A 15 -8.526 2.992 -10.387 1.00 10.00 H new ATOM 0 HA SER A 15 -8.158 2.676 -7.578 1.00 10.00 H new ATOM 0 HB2 SER A 15 -9.220 4.981 -7.094 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.500 4.943 -7.425 1.00 10.00 H new ATOM 0 HG SER A 15 -8.581 6.628 -8.592 1.00 10.00 H new ATOM 217 N PHE A 16 -10.753 2.612 -7.375 1.00 10.00 N ATOM 218 CA PHE A 16 -12.169 2.238 -7.339 1.00 10.00 C ATOM 219 C PHE A 16 -12.720 2.467 -5.922 1.00 10.00 C ATOM 220 O PHE A 16 -11.967 2.799 -5.001 1.00 10.00 O ATOM 221 CB PHE A 16 -12.308 0.763 -7.774 1.00 10.00 C ATOM 222 CG PHE A 16 -13.705 0.259 -8.092 1.00 10.00 C ATOM 223 CD1 PHE A 16 -14.524 0.952 -9.006 1.00 10.00 C ATOM 224 CD2 PHE A 16 -14.161 -0.952 -7.531 1.00 10.00 C ATOM 225 CE1 PHE A 16 -15.795 0.450 -9.340 1.00 10.00 C ATOM 226 CE2 PHE A 16 -15.428 -1.459 -7.877 1.00 10.00 C ATOM 227 CZ PHE A 16 -16.248 -0.756 -8.776 1.00 10.00 C ATOM 0 H PHE A 16 -10.319 2.621 -6.452 1.00 10.00 H new ATOM 0 HA PHE A 16 -12.748 2.854 -8.027 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -11.686 0.611 -8.656 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -11.896 0.138 -6.982 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -14.175 1.872 -9.452 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -13.537 -1.492 -6.834 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -16.424 0.992 -10.031 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -15.771 -2.390 -7.451 1.00 10.00 H new ATOM 0 HZ PHE A 16 -17.224 -1.141 -9.033 1.00 10.00 H new ATOM 237 N VAL A 17 -14.021 2.252 -5.732 1.00 10.00 N ATOM 238 CA VAL A 17 -14.701 2.243 -4.440 1.00 10.00 C ATOM 239 C VAL A 17 -15.691 1.073 -4.522 1.00 10.00 C ATOM 240 O VAL A 17 -16.367 0.917 -5.541 1.00 10.00 O ATOM 241 CB VAL A 17 -15.393 3.598 -4.162 1.00 10.00 C ATOM 242 CG1 VAL A 17 -16.035 3.624 -2.765 1.00 10.00 C ATOM 243 CG2 VAL A 17 -14.415 4.785 -4.243 1.00 10.00 C ATOM 0 H VAL A 17 -14.657 2.072 -6.509 1.00 10.00 H new ATOM 0 HA VAL A 17 -14.012 2.111 -3.606 1.00 10.00 H new ATOM 0 HB VAL A 17 -16.154 3.699 -4.936 1.00 10.00 H new ATOM 0 HG11 VAL A 17 -16.513 4.590 -2.602 1.00 10.00 H new ATOM 0 HG12 VAL A 17 -16.782 2.833 -2.693 1.00 10.00 H new ATOM 0 HG13 VAL A 17 -15.266 3.467 -2.008 1.00 10.00 H new ATOM 0 HG21 VAL A 17 -14.951 5.712 -4.040 1.00 10.00 H new ATOM 0 HG22 VAL A 17 -13.623 4.655 -3.506 1.00 10.00 H new ATOM 0 HG23 VAL A 17 -13.978 4.829 -5.241 1.00 10.00 H new ATOM 253 N LEU A 18 -15.755 0.232 -3.484 1.00 10.00 N ATOM 254 CA LEU A 18 -16.557 -0.992 -3.465 1.00 10.00 C ATOM 255 C LEU A 18 -16.995 -1.213 -2.024 1.00 10.00 C ATOM 256 O LEU A 18 -16.148 -1.254 -1.129 1.00 10.00 O ATOM 257 CB LEU A 18 -15.720 -2.169 -4.016 1.00 10.00 C ATOM 258 CG LEU A 18 -16.374 -3.562 -4.129 1.00 10.00 C ATOM 259 CD1 LEU A 18 -16.475 -4.309 -2.793 1.00 10.00 C ATOM 260 CD2 LEU A 18 -17.742 -3.524 -4.817 1.00 10.00 C ATOM 0 H LEU A 18 -15.240 0.388 -2.618 1.00 10.00 H new ATOM 0 HA LEU A 18 -17.439 -0.915 -4.100 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -15.370 -1.888 -5.009 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -14.838 -2.270 -3.384 1.00 10.00 H new ATOM 0 HG LEU A 18 -15.689 -4.126 -4.762 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -16.945 -5.279 -2.953 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -15.476 -4.453 -2.380 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -17.075 -3.726 -2.095 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -18.152 -4.533 -4.867 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -18.418 -2.885 -4.248 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -17.631 -3.127 -5.826 1.00 10.00 H new ATOM 272 N ASP A 19 -18.311 -1.330 -1.818 1.00 10.00 N ATOM 273 CA ASP A 19 -18.989 -1.471 -0.521 1.00 10.00 C ATOM 274 C ASP A 19 -18.452 -0.498 0.542 1.00 10.00 C ATOM 275 O ASP A 19 -18.220 -0.857 1.698 1.00 10.00 O ATOM 276 CB ASP A 19 -19.017 -2.942 -0.075 1.00 10.00 C ATOM 277 CG ASP A 19 -19.916 -3.165 1.158 1.00 10.00 C ATOM 278 OD1 ASP A 19 -21.045 -2.626 1.206 1.00 10.00 O ATOM 279 OD2 ASP A 19 -19.527 -3.940 2.061 1.00 10.00 O ATOM 0 H ASP A 19 -18.971 -1.329 -2.596 1.00 10.00 H new ATOM 0 HA ASP A 19 -20.029 -1.171 -0.651 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -19.373 -3.562 -0.898 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -18.003 -3.269 0.154 1.00 10.00 H new ATOM 284 N GLY A 20 -18.205 0.749 0.126 1.00 10.00 N ATOM 285 CA GLY A 20 -17.757 1.836 0.994 1.00 10.00 C ATOM 286 C GLY A 20 -16.262 1.790 1.330 1.00 10.00 C ATOM 287 O GLY A 20 -15.751 2.744 1.922 1.00 10.00 O ATOM 0 H GLY A 20 -18.315 1.034 -0.847 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -17.982 2.788 0.512 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -18.328 1.805 1.922 1.00 10.00 H new ATOM 291 N THR A 21 -15.550 0.724 0.957 1.00 10.00 N ATOM 292 CA THR A 21 -14.096 0.657 1.061 1.00 10.00 C ATOM 293 C THR A 21 -13.518 1.350 -0.182 1.00 10.00 C ATOM 294 O THR A 21 -14.111 1.278 -1.264 1.00 10.00 O ATOM 295 CB THR A 21 -13.671 -0.820 1.191 1.00 10.00 C ATOM 296 OG1 THR A 21 -14.366 -1.430 2.267 1.00 10.00 O ATOM 297 CG2 THR A 21 -12.171 -1.000 1.456 1.00 10.00 C ATOM 0 H THR A 21 -15.972 -0.121 0.572 1.00 10.00 H new ATOM 0 HA THR A 21 -13.714 1.168 1.945 1.00 10.00 H new ATOM 0 HB THR A 21 -13.911 -1.284 0.234 1.00 10.00 H new ATOM 0 HG1 THR A 21 -14.093 -2.368 2.343 1.00 10.00 H new ATOM 0 HG21 THR A 21 -11.941 -2.062 1.537 1.00 10.00 H new ATOM 0 HG22 THR A 21 -11.602 -0.567 0.634 1.00 10.00 H new ATOM 0 HG23 THR A 21 -11.903 -0.499 2.386 1.00 10.00 H new ATOM 305 N LYS A 22 -12.369 2.016 -0.039 1.00 10.00 N ATOM 306 CA LYS A 22 -11.695 2.741 -1.117 1.00 10.00 C ATOM 307 C LYS A 22 -10.499 1.911 -1.585 1.00 10.00 C ATOM 308 O LYS A 22 -9.858 1.245 -0.769 1.00 10.00 O ATOM 309 CB LYS A 22 -11.305 4.138 -0.593 1.00 10.00 C ATOM 310 CG LYS A 22 -10.784 5.103 -1.673 1.00 10.00 C ATOM 311 CD LYS A 22 -9.253 5.087 -1.836 1.00 10.00 C ATOM 312 CE LYS A 22 -8.783 6.050 -2.937 1.00 10.00 C ATOM 313 NZ LYS A 22 -9.295 5.686 -4.285 1.00 10.00 N ATOM 0 H LYS A 22 -11.871 2.067 0.850 1.00 10.00 H new ATOM 0 HA LYS A 22 -12.341 2.890 -1.983 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -12.174 4.587 -0.111 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -10.539 4.024 0.174 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -11.244 4.847 -2.628 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.103 6.116 -1.426 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -8.785 5.360 -0.891 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -8.924 4.075 -2.074 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -9.109 7.061 -2.691 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -7.693 6.063 -2.960 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -8.815 6.262 -5.006 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -9.110 4.679 -4.466 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -10.319 5.862 -4.327 1.00 10.00 H new ATOM 327 N TRP A 23 -10.197 1.961 -2.884 1.00 10.00 N ATOM 328 CA TRP A 23 -9.264 1.058 -3.548 1.00 10.00 C ATOM 329 C TRP A 23 -8.366 1.893 -4.488 1.00 10.00 C ATOM 330 O TRP A 23 -8.830 2.907 -5.029 1.00 10.00 O ATOM 331 CB TRP A 23 -10.122 -0.022 -4.247 1.00 10.00 C ATOM 332 CG TRP A 23 -11.039 -0.827 -3.361 1.00 10.00 C ATOM 333 CD1 TRP A 23 -12.294 -0.472 -3.017 1.00 10.00 C ATOM 334 CD2 TRP A 23 -10.818 -2.117 -2.699 1.00 10.00 C ATOM 335 NE1 TRP A 23 -12.837 -1.395 -2.153 1.00 10.00 N ATOM 336 CE2 TRP A 23 -11.976 -2.443 -1.928 1.00 10.00 C ATOM 337 CE3 TRP A 23 -9.763 -3.056 -2.673 1.00 10.00 C ATOM 338 CZ2 TRP A 23 -12.071 -3.618 -1.163 1.00 10.00 C ATOM 339 CZ3 TRP A 23 -9.844 -4.238 -1.913 1.00 10.00 C ATOM 340 CH2 TRP A 23 -10.994 -4.519 -1.154 1.00 10.00 C ATOM 0 H TRP A 23 -10.606 2.649 -3.516 1.00 10.00 H new ATOM 0 HA TRP A 23 -8.580 0.544 -2.873 1.00 10.00 H new ATOM 0 HB2 TRP A 23 -10.727 0.465 -5.012 1.00 10.00 H new ATOM 0 HB3 TRP A 23 -9.452 -0.711 -4.761 1.00 10.00 H new ATOM 0 HD1 TRP A 23 -12.802 0.413 -3.370 1.00 10.00 H new ATOM 0 HE1 TRP A 23 -13.762 -1.312 -1.732 1.00 10.00 H new ATOM 0 HE3 TRP A 23 -8.872 -2.862 -3.251 1.00 10.00 H new ATOM 0 HZ2 TRP A 23 -12.962 -3.826 -0.589 1.00 10.00 H new ATOM 0 HZ3 TRP A 23 -9.018 -4.933 -1.913 1.00 10.00 H new ATOM 0 HH2 TRP A 23 -11.049 -5.424 -0.567 1.00 10.00 H new ATOM 351 N ILE A 24 -7.077 1.549 -4.651 1.00 10.00 N ATOM 352 CA ILE A 24 -6.061 2.381 -5.322 1.00 10.00 C ATOM 353 C ILE A 24 -4.833 1.560 -5.788 1.00 10.00 C ATOM 354 O ILE A 24 -4.582 0.456 -5.302 1.00 10.00 O ATOM 355 CB ILE A 24 -5.674 3.556 -4.377 1.00 10.00 C ATOM 356 CG1 ILE A 24 -4.845 4.640 -5.104 1.00 10.00 C ATOM 357 CG2 ILE A 24 -4.984 3.075 -3.086 1.00 10.00 C ATOM 358 CD1 ILE A 24 -4.769 5.977 -4.357 1.00 10.00 C ATOM 0 H ILE A 24 -6.703 0.663 -4.312 1.00 10.00 H new ATOM 0 HA ILE A 24 -6.486 2.790 -6.239 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.611 4.022 -4.072 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -3.833 4.265 -5.259 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.276 4.811 -6.090 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -4.736 3.935 -2.464 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -5.656 2.413 -2.539 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -4.071 2.536 -3.340 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -4.170 6.682 -4.933 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -5.774 6.378 -4.225 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -4.309 5.823 -3.381 1.00 10.00 H new ATOM 370 N PHE A 25 -4.062 2.090 -6.744 1.00 10.00 N ATOM 371 CA PHE A 25 -2.749 1.590 -7.170 1.00 10.00 C ATOM 372 C PHE A 25 -1.730 1.536 -6.020 1.00 10.00 C ATOM 373 O PHE A 25 -1.840 2.287 -5.047 1.00 10.00 O ATOM 374 CB PHE A 25 -2.250 2.486 -8.322 1.00 10.00 C ATOM 375 CG PHE A 25 -0.827 2.233 -8.799 1.00 10.00 C ATOM 376 CD1 PHE A 25 -0.506 1.053 -9.499 1.00 10.00 C ATOM 377 CD2 PHE A 25 0.184 3.182 -8.545 1.00 10.00 C ATOM 378 CE1 PHE A 25 0.807 0.829 -9.947 1.00 10.00 C ATOM 379 CE2 PHE A 25 1.498 2.957 -8.994 1.00 10.00 C ATOM 380 CZ PHE A 25 1.810 1.781 -9.698 1.00 10.00 C ATOM 0 H PHE A 25 -4.349 2.918 -7.266 1.00 10.00 H new ATOM 0 HA PHE A 25 -2.856 0.559 -7.509 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -2.923 2.361 -9.170 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.326 3.526 -8.005 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.273 0.317 -9.692 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -0.051 4.086 -8.003 1.00 10.00 H new ATOM 0 HE1 PHE A 25 1.046 -0.077 -10.484 1.00 10.00 H new ATOM 0 HE2 PHE A 25 2.268 3.689 -8.798 1.00 10.00 H new ATOM 0 HZ PHE A 25 2.818 1.610 -10.047 1.00 10.00 H new ATOM 390 N LYS A 26 -0.696 0.691 -6.170 1.00 10.00 N ATOM 391 CA LYS A 26 0.486 0.689 -5.305 1.00 10.00 C ATOM 392 C LYS A 26 1.737 0.417 -6.156 1.00 10.00 C ATOM 393 O LYS A 26 2.552 1.334 -6.276 1.00 10.00 O ATOM 394 CB LYS A 26 0.272 -0.283 -4.125 1.00 10.00 C ATOM 395 CG LYS A 26 1.184 -0.071 -2.905 1.00 10.00 C ATOM 396 CD LYS A 26 2.658 -0.417 -3.152 1.00 10.00 C ATOM 397 CE LYS A 26 3.433 -0.432 -1.828 1.00 10.00 C ATOM 398 NZ LYS A 26 4.881 -0.688 -2.029 1.00 10.00 N ATOM 0 H LYS A 26 -0.661 -0.016 -6.905 1.00 10.00 H new ATOM 0 HA LYS A 26 0.646 1.664 -4.845 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -0.765 -0.203 -3.797 1.00 10.00 H new ATOM 0 HB3 LYS A 26 0.414 -1.301 -4.488 1.00 10.00 H new ATOM 0 HG2 LYS A 26 1.115 0.970 -2.591 1.00 10.00 H new ATOM 0 HG3 LYS A 26 0.814 -0.678 -2.079 1.00 10.00 H new ATOM 0 HD2 LYS A 26 2.733 -1.391 -3.636 1.00 10.00 H new ATOM 0 HD3 LYS A 26 3.100 0.312 -3.831 1.00 10.00 H new ATOM 0 HE2 LYS A 26 3.302 0.524 -1.321 1.00 10.00 H new ATOM 0 HE3 LYS A 26 3.017 -1.199 -1.174 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 5.364 -0.689 -1.108 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 5.010 -1.612 -2.489 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 5.285 0.058 -2.631 1.00 10.00 H new ATOM 412 N SER A 27 1.866 -0.752 -6.801 1.00 10.00 N ATOM 413 CA SER A 27 3.009 -1.093 -7.659 1.00 10.00 C ATOM 414 C SER A 27 2.599 -2.077 -8.762 1.00 10.00 C ATOM 415 O SER A 27 1.812 -2.991 -8.517 1.00 10.00 O ATOM 416 CB SER A 27 4.121 -1.753 -6.823 1.00 10.00 C ATOM 417 OG SER A 27 4.559 -0.940 -5.748 1.00 10.00 O ATOM 0 H SER A 27 1.171 -1.496 -6.740 1.00 10.00 H new ATOM 0 HA SER A 27 3.366 -0.167 -8.110 1.00 10.00 H new ATOM 0 HB2 SER A 27 3.758 -2.702 -6.429 1.00 10.00 H new ATOM 0 HB3 SER A 27 4.969 -1.979 -7.470 1.00 10.00 H new ATOM 0 HG SER A 27 5.263 -1.407 -5.250 1.00 10.00 H new ATOM 423 N LYS A 28 3.180 -1.960 -9.962 1.00 10.00 N ATOM 424 CA LYS A 28 3.031 -2.934 -11.050 1.00 10.00 C ATOM 425 C LYS A 28 4.303 -2.888 -11.901 1.00 10.00 C ATOM 426 O LYS A 28 4.849 -1.802 -12.109 1.00 10.00 O ATOM 427 CB LYS A 28 1.757 -2.614 -11.862 1.00 10.00 C ATOM 428 CG LYS A 28 1.522 -3.595 -13.028 1.00 10.00 C ATOM 429 CD LYS A 28 0.148 -3.437 -13.698 1.00 10.00 C ATOM 430 CE LYS A 28 -0.045 -2.082 -14.404 1.00 10.00 C ATOM 431 NZ LYS A 28 0.533 -2.054 -15.774 1.00 10.00 N ATOM 0 H LYS A 28 3.778 -1.171 -10.209 1.00 10.00 H new ATOM 0 HA LYS A 28 2.910 -3.947 -10.667 1.00 10.00 H new ATOM 0 HB2 LYS A 28 0.894 -2.636 -11.197 1.00 10.00 H new ATOM 0 HB3 LYS A 28 1.830 -1.600 -12.256 1.00 10.00 H new ATOM 0 HG2 LYS A 28 2.301 -3.450 -13.777 1.00 10.00 H new ATOM 0 HG3 LYS A 28 1.622 -4.616 -12.659 1.00 10.00 H new ATOM 0 HD2 LYS A 28 0.014 -4.238 -14.425 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -0.630 -3.558 -12.944 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -1.110 -1.856 -14.460 1.00 10.00 H new ATOM 0 HE3 LYS A 28 0.416 -1.297 -13.805 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 0.683 -1.068 -16.067 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 1.443 -2.558 -15.777 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -0.122 -2.517 -16.437 1.00 10.00 H new ATOM 445 N TYR A 29 4.777 -4.040 -12.378 1.00 10.00 N ATOM 446 CA TYR A 29 6.007 -4.186 -13.154 1.00 10.00 C ATOM 447 C TYR A 29 5.868 -5.366 -14.122 1.00 10.00 C ATOM 448 O TYR A 29 4.996 -6.219 -13.938 1.00 10.00 O ATOM 449 CB TYR A 29 7.207 -4.392 -12.210 1.00 10.00 C ATOM 450 CG TYR A 29 7.222 -5.701 -11.430 1.00 10.00 C ATOM 451 CD1 TYR A 29 6.478 -5.832 -10.239 1.00 10.00 C ATOM 452 CD2 TYR A 29 8.003 -6.784 -11.883 1.00 10.00 C ATOM 453 CE1 TYR A 29 6.514 -7.032 -9.507 1.00 10.00 C ATOM 454 CE2 TYR A 29 8.045 -7.986 -11.155 1.00 10.00 C ATOM 455 CZ TYR A 29 7.302 -8.115 -9.959 1.00 10.00 C ATOM 456 OH TYR A 29 7.339 -9.269 -9.235 1.00 10.00 O ATOM 0 H TYR A 29 4.297 -4.928 -12.229 1.00 10.00 H new ATOM 0 HA TYR A 29 6.180 -3.278 -13.732 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.122 -4.332 -12.799 1.00 10.00 H new ATOM 0 HB3 TYR A 29 7.231 -3.567 -11.498 1.00 10.00 H new ATOM 0 HD1 TYR A 29 5.877 -5.006 -9.887 1.00 10.00 H new ATOM 0 HD2 TYR A 29 8.573 -6.690 -12.796 1.00 10.00 H new ATOM 0 HE1 TYR A 29 5.939 -7.126 -8.598 1.00 10.00 H new ATOM 0 HE2 TYR A 29 8.645 -8.811 -11.509 1.00 10.00 H new ATOM 0 HH TYR A 29 7.925 -9.916 -9.680 1.00 10.00 H new ATOM 466 N TYR A 30 6.709 -5.423 -15.157 1.00 10.00 N ATOM 467 CA TYR A 30 6.738 -6.545 -16.087 1.00 10.00 C ATOM 468 C TYR A 30 7.782 -7.540 -15.591 1.00 10.00 C ATOM 469 O TYR A 30 8.944 -7.175 -15.392 1.00 10.00 O ATOM 470 CB TYR A 30 7.037 -6.060 -17.511 1.00 10.00 C ATOM 471 CG TYR A 30 6.799 -7.124 -18.568 1.00 10.00 C ATOM 472 CD1 TYR A 30 5.484 -7.532 -18.861 1.00 10.00 C ATOM 473 CD2 TYR A 30 7.879 -7.699 -19.266 1.00 10.00 C ATOM 474 CE1 TYR A 30 5.241 -8.496 -19.853 1.00 10.00 C ATOM 475 CE2 TYR A 30 7.646 -8.663 -20.263 1.00 10.00 C ATOM 476 CZ TYR A 30 6.323 -9.061 -20.566 1.00 10.00 C ATOM 477 OH TYR A 30 6.075 -9.975 -21.548 1.00 10.00 O ATOM 0 H TYR A 30 7.387 -4.691 -15.371 1.00 10.00 H new ATOM 0 HA TYR A 30 5.765 -7.036 -16.126 1.00 10.00 H new ATOM 0 HB2 TYR A 30 6.414 -5.193 -17.731 1.00 10.00 H new ATOM 0 HB3 TYR A 30 8.074 -5.729 -17.565 1.00 10.00 H new ATOM 0 HD1 TYR A 30 4.656 -7.100 -18.319 1.00 10.00 H new ATOM 0 HD2 TYR A 30 8.890 -7.398 -19.035 1.00 10.00 H new ATOM 0 HE1 TYR A 30 4.229 -8.805 -20.071 1.00 10.00 H new ATOM 0 HE2 TYR A 30 8.477 -9.099 -20.797 1.00 10.00 H new ATOM 0 HH TYR A 30 6.922 -10.268 -21.944 1.00 10.00 H new ATOM 487 N ASP A 31 7.376 -8.789 -15.366 1.00 10.00 N ATOM 488 CA ASP A 31 8.256 -9.851 -14.900 1.00 10.00 C ATOM 489 C ASP A 31 8.798 -10.587 -16.120 1.00 10.00 C ATOM 490 O ASP A 31 8.289 -11.640 -16.509 1.00 10.00 O ATOM 491 CB ASP A 31 7.530 -10.788 -13.926 1.00 10.00 C ATOM 492 CG ASP A 31 8.453 -11.898 -13.386 1.00 10.00 C ATOM 493 OD1 ASP A 31 9.696 -11.770 -13.470 1.00 10.00 O ATOM 494 OD2 ASP A 31 7.930 -12.878 -12.811 1.00 10.00 O ATOM 0 H ASP A 31 6.412 -9.092 -15.505 1.00 10.00 H new ATOM 0 HA ASP A 31 9.090 -9.430 -14.339 1.00 10.00 H new ATOM 0 HB2 ASP A 31 7.137 -10.207 -13.092 1.00 10.00 H new ATOM 0 HB3 ASP A 31 6.676 -11.241 -14.429 1.00 10.00 H new ATOM 499 N SER A 32 9.789 -9.986 -16.782 1.00 10.00 N ATOM 500 CA SER A 32 10.359 -10.455 -18.043 1.00 10.00 C ATOM 501 C SER A 32 10.804 -11.925 -18.000 1.00 10.00 C ATOM 502 O SER A 32 10.758 -12.608 -19.026 1.00 10.00 O ATOM 503 CB SER A 32 11.537 -9.547 -18.420 1.00 10.00 C ATOM 504 OG SER A 32 11.223 -8.177 -18.205 1.00 10.00 O ATOM 0 H SER A 32 10.230 -9.131 -16.442 1.00 10.00 H new ATOM 0 HA SER A 32 9.576 -10.403 -18.800 1.00 10.00 H new ATOM 0 HB2 SER A 32 12.412 -9.819 -17.829 1.00 10.00 H new ATOM 0 HB3 SER A 32 11.798 -9.702 -19.467 1.00 10.00 H new ATOM 0 HG SER A 32 11.992 -7.622 -18.452 1.00 10.00 H new ATOM 510 N SER A 33 11.189 -12.435 -16.824 1.00 10.00 N ATOM 511 CA SER A 33 11.569 -13.828 -16.613 1.00 10.00 C ATOM 512 C SER A 33 10.412 -14.811 -16.870 1.00 10.00 C ATOM 513 O SER A 33 10.669 -15.987 -17.138 1.00 10.00 O ATOM 514 CB SER A 33 12.098 -13.986 -15.181 1.00 10.00 C ATOM 515 OG SER A 33 13.060 -12.983 -14.880 1.00 10.00 O ATOM 0 H SER A 33 11.245 -11.873 -15.975 1.00 10.00 H new ATOM 0 HA SER A 33 12.346 -14.076 -17.337 1.00 10.00 H new ATOM 0 HB2 SER A 33 11.270 -13.925 -14.475 1.00 10.00 H new ATOM 0 HB3 SER A 33 12.546 -14.972 -15.062 1.00 10.00 H new ATOM 0 HG SER A 33 13.381 -13.103 -13.962 1.00 10.00 H new ATOM 521 N LYS A 34 9.152 -14.353 -16.810 1.00 10.00 N ATOM 522 CA LYS A 34 7.952 -15.174 -17.001 1.00 10.00 C ATOM 523 C LYS A 34 7.036 -14.616 -18.096 1.00 10.00 C ATOM 524 O LYS A 34 6.192 -15.355 -18.604 1.00 10.00 O ATOM 525 CB LYS A 34 7.184 -15.305 -15.673 1.00 10.00 C ATOM 526 CG LYS A 34 7.957 -15.975 -14.524 1.00 10.00 C ATOM 527 CD LYS A 34 8.291 -17.450 -14.798 1.00 10.00 C ATOM 528 CE LYS A 34 8.972 -18.071 -13.570 1.00 10.00 C ATOM 529 NZ LYS A 34 9.324 -19.497 -13.784 1.00 10.00 N ATOM 0 H LYS A 34 8.937 -13.374 -16.622 1.00 10.00 H new ATOM 0 HA LYS A 34 8.279 -16.161 -17.329 1.00 10.00 H new ATOM 0 HB2 LYS A 34 6.879 -14.310 -15.350 1.00 10.00 H new ATOM 0 HB3 LYS A 34 6.273 -15.875 -15.855 1.00 10.00 H new ATOM 0 HG2 LYS A 34 8.882 -15.426 -14.349 1.00 10.00 H new ATOM 0 HG3 LYS A 34 7.368 -15.906 -13.610 1.00 10.00 H new ATOM 0 HD2 LYS A 34 7.380 -18.000 -15.036 1.00 10.00 H new ATOM 0 HD3 LYS A 34 8.946 -17.528 -15.666 1.00 10.00 H new ATOM 0 HE2 LYS A 34 9.875 -17.507 -13.334 1.00 10.00 H new ATOM 0 HE3 LYS A 34 8.309 -17.988 -12.709 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 9.781 -19.874 -12.929 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 8.461 -20.041 -13.984 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 9.977 -19.576 -14.589 1.00 10.00 H new ATOM 543 N GLY A 35 7.219 -13.359 -18.508 1.00 10.00 N ATOM 544 CA GLY A 35 6.558 -12.798 -19.677 1.00 10.00 C ATOM 545 C GLY A 35 5.118 -12.375 -19.386 1.00 10.00 C ATOM 546 O GLY A 35 4.243 -12.569 -20.232 1.00 10.00 O ATOM 0 H GLY A 35 7.836 -12.701 -18.032 1.00 10.00 H new ATOM 0 HA2 GLY A 35 7.123 -11.935 -20.031 1.00 10.00 H new ATOM 0 HA3 GLY A 35 6.562 -13.534 -20.481 1.00 10.00 H new ATOM 550 N TYR A 36 4.856 -11.824 -18.198 1.00 10.00 N ATOM 551 CA TYR A 36 3.582 -11.205 -17.848 1.00 10.00 C ATOM 552 C TYR A 36 3.829 -10.064 -16.858 1.00 10.00 C ATOM 553 O TYR A 36 4.901 -9.982 -16.252 1.00 10.00 O ATOM 554 CB TYR A 36 2.586 -12.248 -17.304 1.00 10.00 C ATOM 555 CG TYR A 36 3.101 -13.266 -16.298 1.00 10.00 C ATOM 556 CD1 TYR A 36 3.514 -12.859 -15.014 1.00 10.00 C ATOM 557 CD2 TYR A 36 3.108 -14.637 -16.626 1.00 10.00 C ATOM 558 CE1 TYR A 36 3.940 -13.809 -14.070 1.00 10.00 C ATOM 559 CE2 TYR A 36 3.513 -15.594 -15.681 1.00 10.00 C ATOM 560 CZ TYR A 36 3.933 -15.184 -14.394 1.00 10.00 C ATOM 561 OH TYR A 36 4.334 -16.097 -13.465 1.00 10.00 O ATOM 0 H TYR A 36 5.539 -11.797 -17.441 1.00 10.00 H new ATOM 0 HA TYR A 36 3.124 -10.786 -18.744 1.00 10.00 H new ATOM 0 HB2 TYR A 36 1.758 -11.711 -16.842 1.00 10.00 H new ATOM 0 HB3 TYR A 36 2.177 -12.795 -18.154 1.00 10.00 H new ATOM 0 HD1 TYR A 36 3.503 -11.811 -14.754 1.00 10.00 H new ATOM 0 HD2 TYR A 36 2.800 -14.954 -17.611 1.00 10.00 H new ATOM 0 HE1 TYR A 36 4.274 -13.487 -13.095 1.00 10.00 H new ATOM 0 HE2 TYR A 36 3.504 -16.643 -15.937 1.00 10.00 H new ATOM 0 HH TYR A 36 4.269 -16.999 -13.843 1.00 10.00 H new ATOM 571 N TRP A 37 2.849 -9.173 -16.692 1.00 10.00 N ATOM 572 CA TRP A 37 2.899 -8.166 -15.645 1.00 10.00 C ATOM 573 C TRP A 37 2.572 -8.824 -14.307 1.00 10.00 C ATOM 574 O TRP A 37 1.839 -9.817 -14.251 1.00 10.00 O ATOM 575 CB TRP A 37 1.927 -7.022 -15.949 1.00 10.00 C ATOM 576 CG TRP A 37 2.251 -6.188 -17.156 1.00 10.00 C ATOM 577 CD1 TRP A 37 1.916 -6.472 -18.436 1.00 10.00 C ATOM 578 CD2 TRP A 37 2.957 -4.910 -17.216 1.00 10.00 C ATOM 579 NE1 TRP A 37 2.344 -5.458 -19.270 1.00 10.00 N ATOM 580 CE2 TRP A 37 2.983 -4.457 -18.569 1.00 10.00 C ATOM 581 CE3 TRP A 37 3.573 -4.083 -16.256 1.00 10.00 C ATOM 582 CZ2 TRP A 37 3.568 -3.235 -18.938 1.00 10.00 C ATOM 583 CZ3 TRP A 37 4.170 -2.858 -16.611 1.00 10.00 C ATOM 584 CH2 TRP A 37 4.162 -2.430 -17.950 1.00 10.00 C ATOM 0 H TRP A 37 2.012 -9.133 -17.274 1.00 10.00 H new ATOM 0 HA TRP A 37 3.901 -7.739 -15.597 1.00 10.00 H new ATOM 0 HB2 TRP A 37 0.930 -7.443 -16.080 1.00 10.00 H new ATOM 0 HB3 TRP A 37 1.885 -6.366 -15.079 1.00 10.00 H new ATOM 0 HD1 TRP A 37 1.392 -7.360 -18.758 1.00 10.00 H new ATOM 0 HE1 TRP A 37 2.205 -5.450 -20.280 1.00 10.00 H new ATOM 0 HE3 TRP A 37 3.588 -4.396 -15.223 1.00 10.00 H new ATOM 0 HZ2 TRP A 37 3.562 -2.917 -19.970 1.00 10.00 H new ATOM 0 HZ3 TRP A 37 4.635 -2.246 -15.853 1.00 10.00 H new ATOM 0 HH2 TRP A 37 4.611 -1.485 -18.219 1.00 10.00 H new ATOM 595 N VAL A 38 3.080 -8.235 -13.230 1.00 10.00 N ATOM 596 CA VAL A 38 2.877 -8.632 -11.847 1.00 10.00 C ATOM 597 C VAL A 38 2.690 -7.330 -11.066 1.00 10.00 C ATOM 598 O VAL A 38 3.243 -6.297 -11.455 1.00 10.00 O ATOM 599 CB VAL A 38 4.102 -9.434 -11.347 1.00 10.00 C ATOM 600 CG1 VAL A 38 3.959 -9.858 -9.875 1.00 10.00 C ATOM 601 CG2 VAL A 38 4.351 -10.688 -12.201 1.00 10.00 C ATOM 0 H VAL A 38 3.682 -7.416 -13.308 1.00 10.00 H new ATOM 0 HA VAL A 38 2.010 -9.281 -11.721 1.00 10.00 H new ATOM 0 HB VAL A 38 4.953 -8.759 -11.439 1.00 10.00 H new ATOM 0 HG11 VAL A 38 4.843 -10.418 -9.570 1.00 10.00 H new ATOM 0 HG12 VAL A 38 3.857 -8.971 -9.249 1.00 10.00 H new ATOM 0 HG13 VAL A 38 3.075 -10.486 -9.761 1.00 10.00 H new ATOM 0 HG21 VAL A 38 5.220 -11.223 -11.817 1.00 10.00 H new ATOM 0 HG22 VAL A 38 3.477 -11.337 -12.158 1.00 10.00 H new ATOM 0 HG23 VAL A 38 4.534 -10.394 -13.235 1.00 10.00 H new ATOM 611 N GLY A 39 1.937 -7.346 -9.968 1.00 10.00 N ATOM 612 CA GLY A 39 1.768 -6.152 -9.160 1.00 10.00 C ATOM 613 C GLY A 39 1.315 -6.447 -7.742 1.00 10.00 C ATOM 614 O GLY A 39 0.864 -7.551 -7.424 1.00 10.00 O ATOM 0 H GLY A 39 1.440 -8.168 -9.624 1.00 10.00 H new ATOM 0 HA2 GLY A 39 2.712 -5.607 -9.127 1.00 10.00 H new ATOM 0 HA3 GLY A 39 1.039 -5.498 -9.638 1.00 10.00 H new ATOM 618 N ILE A 40 1.429 -5.407 -6.919 1.00 10.00 N ATOM 619 CA ILE A 40 0.932 -5.308 -5.560 1.00 10.00 C ATOM 620 C ILE A 40 -0.080 -4.180 -5.695 1.00 10.00 C ATOM 621 O ILE A 40 0.293 -3.071 -6.079 1.00 10.00 O ATOM 622 CB ILE A 40 2.064 -4.944 -4.563 1.00 10.00 C ATOM 623 CG1 ILE A 40 3.270 -5.911 -4.636 1.00 10.00 C ATOM 624 CG2 ILE A 40 1.492 -4.877 -3.131 1.00 10.00 C ATOM 625 CD1 ILE A 40 4.473 -5.468 -3.794 1.00 10.00 C ATOM 0 H ILE A 40 1.906 -4.554 -7.211 1.00 10.00 H new ATOM 0 HA ILE A 40 0.516 -6.236 -5.168 1.00 10.00 H new ATOM 0 HB ILE A 40 2.449 -3.965 -4.849 1.00 10.00 H new ATOM 0 HG12 ILE A 40 2.951 -6.899 -4.305 1.00 10.00 H new ATOM 0 HG13 ILE A 40 3.583 -6.009 -5.676 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.289 -4.621 -2.433 1.00 10.00 H new ATOM 0 HG22 ILE A 40 0.712 -4.117 -3.086 1.00 10.00 H new ATOM 0 HG23 ILE A 40 1.071 -5.846 -2.862 1.00 10.00 H new ATOM 0 HD11 ILE A 40 5.277 -6.196 -3.897 1.00 10.00 H new ATOM 0 HD12 ILE A 40 4.819 -4.494 -4.139 1.00 10.00 H new ATOM 0 HD13 ILE A 40 4.178 -5.398 -2.747 1.00 10.00 H new ATOM 637 N TYR A 41 -1.357 -4.452 -5.464 1.00 10.00 N ATOM 638 CA TYR A 41 -2.416 -3.558 -5.902 1.00 10.00 C ATOM 639 C TYR A 41 -3.479 -3.533 -4.820 1.00 10.00 C ATOM 640 O TYR A 41 -3.867 -4.583 -4.314 1.00 10.00 O ATOM 641 CB TYR A 41 -2.976 -4.072 -7.244 1.00 10.00 C ATOM 642 CG TYR A 41 -3.034 -3.043 -8.360 1.00 10.00 C ATOM 643 CD1 TYR A 41 -3.759 -1.850 -8.191 1.00 10.00 C ATOM 644 CD2 TYR A 41 -2.406 -3.303 -9.593 1.00 10.00 C ATOM 645 CE1 TYR A 41 -3.884 -0.939 -9.255 1.00 10.00 C ATOM 646 CE2 TYR A 41 -2.549 -2.407 -10.667 1.00 10.00 C ATOM 647 CZ TYR A 41 -3.285 -1.218 -10.499 1.00 10.00 C ATOM 648 OH TYR A 41 -3.372 -0.319 -11.516 1.00 10.00 O ATOM 0 H TYR A 41 -1.683 -5.286 -4.975 1.00 10.00 H new ATOM 0 HA TYR A 41 -2.051 -2.543 -6.059 1.00 10.00 H new ATOM 0 HB2 TYR A 41 -2.364 -4.911 -7.577 1.00 10.00 H new ATOM 0 HB3 TYR A 41 -3.981 -4.458 -7.075 1.00 10.00 H new ATOM 0 HD1 TYR A 41 -4.222 -1.632 -7.240 1.00 10.00 H new ATOM 0 HD2 TYR A 41 -1.811 -4.196 -9.715 1.00 10.00 H new ATOM 0 HE1 TYR A 41 -4.440 -0.024 -9.118 1.00 10.00 H new ATOM 0 HE2 TYR A 41 -2.094 -2.630 -11.621 1.00 10.00 H new ATOM 0 HH TYR A 41 -2.500 0.107 -11.652 1.00 10.00 H new ATOM 658 N GLU A 42 -3.998 -2.353 -4.491 1.00 10.00 N ATOM 659 CA GLU A 42 -5.123 -2.204 -3.578 1.00 10.00 C ATOM 660 C GLU A 42 -6.380 -1.900 -4.402 1.00 10.00 C ATOM 661 O GLU A 42 -7.251 -1.186 -3.927 1.00 10.00 O ATOM 662 CB GLU A 42 -4.792 -1.142 -2.504 1.00 10.00 C ATOM 663 CG GLU A 42 -5.569 -1.370 -1.200 1.00 10.00 C ATOM 664 CD GLU A 42 -5.222 -0.305 -0.146 1.00 10.00 C ATOM 665 OE1 GLU A 42 -4.230 -0.480 0.599 1.00 10.00 O ATOM 666 OE2 GLU A 42 -5.949 0.706 -0.031 1.00 10.00 O ATOM 0 H GLU A 42 -3.645 -1.468 -4.854 1.00 10.00 H new ATOM 0 HA GLU A 42 -5.319 -3.123 -3.026 1.00 10.00 H new ATOM 0 HB2 GLU A 42 -3.722 -1.161 -2.295 1.00 10.00 H new ATOM 0 HB3 GLU A 42 -5.023 -0.150 -2.893 1.00 10.00 H new ATOM 0 HG2 GLU A 42 -6.640 -1.347 -1.404 1.00 10.00 H new ATOM 0 HG3 GLU A 42 -5.341 -2.361 -0.807 1.00 10.00 H new ATOM 673 N VAL A 43 -6.483 -2.400 -5.645 1.00 10.00 N ATOM 674 CA VAL A 43 -7.732 -2.393 -6.411 1.00 10.00 C ATOM 675 C VAL A 43 -7.785 -3.569 -7.390 1.00 10.00 C ATOM 676 O VAL A 43 -8.752 -4.333 -7.338 1.00 10.00 O ATOM 677 CB VAL A 43 -8.000 -1.022 -7.097 1.00 10.00 C ATOM 678 CG1 VAL A 43 -6.887 -0.469 -7.987 1.00 10.00 C ATOM 679 CG2 VAL A 43 -9.299 -1.040 -7.908 1.00 10.00 C ATOM 0 H VAL A 43 -5.699 -2.820 -6.144 1.00 10.00 H new ATOM 0 HA VAL A 43 -8.551 -2.530 -5.704 1.00 10.00 H new ATOM 0 HB VAL A 43 -8.066 -0.347 -6.244 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -7.197 0.489 -8.405 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -5.982 -0.331 -7.395 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -6.687 -1.170 -8.797 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -9.452 -0.066 -8.372 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -9.234 -1.804 -8.682 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -10.137 -1.263 -7.248 1.00 10.00 H new ATOM 689 N TRP A 44 -6.776 -3.726 -8.260 1.00 10.00 N ATOM 690 CA TRP A 44 -6.876 -4.609 -9.422 1.00 10.00 C ATOM 691 C TRP A 44 -7.175 -6.047 -8.996 1.00 10.00 C ATOM 692 O TRP A 44 -6.698 -6.516 -7.960 1.00 10.00 O ATOM 693 CB TRP A 44 -5.607 -4.518 -10.284 1.00 10.00 C ATOM 694 CG TRP A 44 -5.618 -5.262 -11.591 1.00 10.00 C ATOM 695 CD1 TRP A 44 -6.673 -5.402 -12.427 1.00 10.00 C ATOM 696 CD2 TRP A 44 -4.499 -5.916 -12.273 1.00 10.00 C ATOM 697 NE1 TRP A 44 -6.311 -6.164 -13.516 1.00 10.00 N ATOM 698 CE2 TRP A 44 -4.968 -6.470 -13.501 1.00 10.00 C ATOM 699 CE3 TRP A 44 -3.127 -6.082 -11.986 1.00 10.00 C ATOM 700 CZ2 TRP A 44 -4.120 -7.141 -14.397 1.00 10.00 C ATOM 701 CZ3 TRP A 44 -2.262 -6.739 -12.879 1.00 10.00 C ATOM 702 CH2 TRP A 44 -2.754 -7.265 -14.086 1.00 10.00 C ATOM 0 H TRP A 44 -5.879 -3.248 -8.176 1.00 10.00 H new ATOM 0 HA TRP A 44 -7.713 -4.276 -10.036 1.00 10.00 H new ATOM 0 HB2 TRP A 44 -5.414 -3.466 -10.494 1.00 10.00 H new ATOM 0 HB3 TRP A 44 -4.768 -4.884 -9.692 1.00 10.00 H new ATOM 0 HD1 TRP A 44 -7.653 -4.979 -12.264 1.00 10.00 H new ATOM 0 HE1 TRP A 44 -6.958 -6.465 -14.245 1.00 10.00 H new ATOM 0 HE3 TRP A 44 -2.732 -5.695 -11.058 1.00 10.00 H new ATOM 0 HZ2 TRP A 44 -4.512 -7.557 -15.314 1.00 10.00 H new ATOM 0 HZ3 TRP A 44 -1.214 -6.840 -12.636 1.00 10.00 H new ATOM 0 HH2 TRP A 44 -2.085 -7.763 -14.772 1.00 10.00 H new ATOM 713 N ASP A 45 -7.979 -6.739 -9.803 1.00 10.00 N ATOM 714 CA ASP A 45 -8.618 -8.007 -9.451 1.00 10.00 C ATOM 715 C ASP A 45 -8.462 -9.029 -10.586 1.00 10.00 C ATOM 716 O ASP A 45 -9.313 -9.893 -10.789 1.00 10.00 O ATOM 717 CB ASP A 45 -10.092 -7.730 -9.107 1.00 10.00 C ATOM 718 CG ASP A 45 -10.673 -8.828 -8.208 1.00 10.00 C ATOM 719 OD1 ASP A 45 -10.185 -8.940 -7.060 1.00 10.00 O ATOM 720 OD2 ASP A 45 -11.648 -9.511 -8.595 1.00 10.00 O ATOM 0 H ASP A 45 -8.210 -6.424 -10.745 1.00 10.00 H new ATOM 0 HA ASP A 45 -8.134 -8.447 -8.579 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -10.175 -6.766 -8.606 1.00 10.00 H new ATOM 0 HB3 ASP A 45 -10.675 -7.663 -10.025 1.00 10.00 H new ATOM 725 N ARG A 46 -7.389 -8.881 -11.381 1.00 10.00 N ATOM 726 CA ARG A 46 -7.120 -9.625 -12.620 1.00 10.00 C ATOM 727 C ARG A 46 -8.183 -9.388 -13.711 1.00 10.00 C ATOM 728 O ARG A 46 -8.238 -10.137 -14.688 1.00 10.00 O ATOM 729 CB ARG A 46 -6.886 -11.118 -12.298 1.00 10.00 C ATOM 730 CG ARG A 46 -5.858 -11.776 -13.230 1.00 10.00 C ATOM 731 CD ARG A 46 -5.697 -13.262 -12.890 1.00 10.00 C ATOM 732 NE ARG A 46 -4.560 -13.839 -13.625 1.00 10.00 N ATOM 733 CZ ARG A 46 -4.564 -14.860 -14.490 1.00 10.00 C ATOM 734 NH1 ARG A 46 -5.687 -15.507 -14.795 1.00 10.00 N ATOM 735 NH2 ARG A 46 -3.413 -15.220 -15.046 1.00 10.00 N ATOM 0 H ARG A 46 -6.653 -8.208 -11.166 1.00 10.00 H new ATOM 0 HA ARG A 46 -6.201 -9.235 -13.058 1.00 10.00 H new ATOM 0 HB2 ARG A 46 -6.547 -11.213 -11.266 1.00 10.00 H new ATOM 0 HB3 ARG A 46 -7.832 -11.653 -12.373 1.00 10.00 H new ATOM 0 HG2 ARG A 46 -6.176 -11.667 -14.267 1.00 10.00 H new ATOM 0 HG3 ARG A 46 -4.897 -11.270 -13.136 1.00 10.00 H new ATOM 0 HD2 ARG A 46 -5.542 -13.381 -11.818 1.00 10.00 H new ATOM 0 HD3 ARG A 46 -6.611 -13.800 -13.142 1.00 10.00 H new ATOM 0 HE ARG A 46 -3.653 -13.405 -13.453 1.00 10.00 H new ATOM 0 HH11 ARG A 46 -6.569 -15.227 -14.366 1.00 10.00 H new ATOM 0 HH12 ARG A 46 -5.665 -16.282 -15.457 1.00 10.00 H new ATOM 0 HH21 ARG A 46 -2.555 -14.722 -14.810 1.00 10.00 H new ATOM 0 HH22 ARG A 46 -3.387 -15.995 -15.709 1.00 10.00 H new ATOM 749 N LYS A 47 -9.028 -8.362 -13.554 1.00 10.00 N ATOM 750 CA LYS A 47 -9.931 -7.891 -14.599 1.00 10.00 C ATOM 751 C LYS A 47 -9.077 -7.439 -15.776 1.00 10.00 C ATOM 752 O LYS A 47 -8.169 -6.611 -15.543 1.00 10.00 O ATOM 753 CB LYS A 47 -10.812 -6.752 -14.052 1.00 10.00 C ATOM 754 CG LYS A 47 -11.828 -6.197 -15.068 1.00 10.00 C ATOM 755 CD LYS A 47 -12.839 -7.219 -15.619 1.00 10.00 C ATOM 756 CE LYS A 47 -13.679 -7.862 -14.505 1.00 10.00 C ATOM 757 NZ LYS A 47 -14.698 -8.801 -15.041 1.00 10.00 N ATOM 758 OXT LYS A 47 -9.318 -7.901 -16.910 1.00 10.00 O ATOM 0 H LYS A 47 -9.101 -7.832 -12.685 1.00 10.00 H new ATOM 0 HA LYS A 47 -10.604 -8.682 -14.930 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -11.351 -7.113 -13.176 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -10.168 -5.939 -13.717 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -12.380 -5.384 -14.597 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -11.280 -5.766 -15.906 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -13.500 -6.726 -16.332 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -12.306 -7.997 -16.165 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -13.021 -8.395 -13.818 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -14.175 -7.081 -13.929 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -15.241 -9.211 -14.254 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -15.343 -8.288 -15.676 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -14.225 -9.562 -15.569 1.00 10.00 H new TER 772 LYS A 47