USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 154:sc= 1.32 (180deg=1.18) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= -0.0351 (180deg=-0.246) USER MOD Single : A 14 LYS NZ :NH3+ 133:sc= 1.26 (180deg=-0.182) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -0.806 K(o=-0.81,f=-3.4!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= -0.0114 (180deg=-0.151) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 154:sc= 0.0164 USER MOD Single : A 36 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 43 ASN : amide:sc= 1.12 K(o=1.1,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 9.554 -4.614 -4.627 1.00 0.00 N ATOM 35 CA VAL A 3 8.325 -3.868 -4.891 1.00 0.00 C ATOM 36 C VAL A 3 7.221 -4.753 -5.425 1.00 0.00 C ATOM 37 O VAL A 3 6.047 -4.433 -5.285 1.00 0.00 O ATOM 38 CB VAL A 3 8.524 -2.615 -5.792 1.00 0.00 C ATOM 39 CG1 VAL A 3 9.412 -1.599 -5.093 1.00 0.00 C ATOM 40 CG2 VAL A 3 9.104 -2.979 -7.152 1.00 0.00 C ATOM 0 HA VAL A 3 8.015 -3.491 -3.916 1.00 0.00 H new ATOM 0 HB VAL A 3 7.542 -2.174 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.543 -0.728 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.947 -1.293 -4.156 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.384 -2.047 -4.886 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.227 -2.075 -7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.073 -3.459 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.428 -3.663 -7.665 1.00 0.00 H new ATOM 50 N THR A 4 7.595 -5.879 -5.998 1.00 0.00 N ATOM 51 CA THR A 4 6.631 -6.840 -6.469 1.00 0.00 C ATOM 52 C THR A 4 5.854 -7.438 -5.267 1.00 0.00 C ATOM 53 O THR A 4 4.639 -7.616 -5.322 1.00 0.00 O ATOM 54 CB THR A 4 7.303 -7.938 -7.366 1.00 0.00 C ATOM 55 OG1 THR A 4 6.331 -8.844 -7.891 1.00 0.00 O ATOM 56 CG2 THR A 4 8.357 -8.719 -6.605 1.00 0.00 C ATOM 0 H THR A 4 8.568 -6.148 -6.147 1.00 0.00 H new ATOM 0 HA THR A 4 5.909 -6.334 -7.110 1.00 0.00 H new ATOM 0 HB THR A 4 7.786 -7.413 -8.190 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.777 -9.516 -8.447 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.798 -9.469 -7.261 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.134 -8.038 -6.258 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.897 -9.212 -5.748 1.00 0.00 H new ATOM 64 N LYS A 5 6.551 -7.668 -4.151 1.00 0.00 N ATOM 65 CA LYS A 5 5.903 -8.148 -2.961 1.00 0.00 C ATOM 66 C LYS A 5 5.171 -7.048 -2.241 1.00 0.00 C ATOM 67 O LYS A 5 4.149 -7.293 -1.598 1.00 0.00 O ATOM 68 CB LYS A 5 6.859 -8.894 -2.057 1.00 0.00 C ATOM 69 CG LYS A 5 6.753 -10.386 -2.228 1.00 0.00 C ATOM 70 CD LYS A 5 5.398 -10.865 -1.712 1.00 0.00 C ATOM 71 CE LYS A 5 5.183 -12.343 -1.919 1.00 0.00 C ATOM 72 NZ LYS A 5 3.900 -12.789 -1.333 1.00 0.00 N ATOM 0 H LYS A 5 7.557 -7.526 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 5 5.149 -8.870 -3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.880 -8.577 -2.269 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.654 -8.633 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.868 -10.651 -3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.557 -10.883 -1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.318 -10.636 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.606 -10.313 -2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.195 -12.568 -2.985 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.004 -12.899 -1.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.565 -13.636 -1.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.037 -13.014 -0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.194 -12.031 -1.425 1.00 0.00 H new ATOM 86 N LEU A 6 5.675 -5.835 -2.364 1.00 0.00 N ATOM 87 CA LEU A 6 4.989 -4.678 -1.828 1.00 0.00 C ATOM 88 C LEU A 6 3.643 -4.562 -2.536 1.00 0.00 C ATOM 89 O LEU A 6 2.608 -4.358 -1.908 1.00 0.00 O ATOM 90 CB LEU A 6 5.822 -3.413 -2.058 1.00 0.00 C ATOM 91 CG LEU A 6 5.252 -2.096 -1.510 1.00 0.00 C ATOM 92 CD1 LEU A 6 5.097 -2.153 0.004 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.147 -0.935 -1.912 1.00 0.00 C ATOM 0 H LEU A 6 6.558 -5.626 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 6 4.842 -4.790 -0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.805 -3.568 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.973 -3.297 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 6 4.262 -1.945 -1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.692 -1.207 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.418 -2.963 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.070 -2.329 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.735 -0.005 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.147 -1.089 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.201 -0.877 -2.999 1.00 0.00 H new ATOM 105 N ASN A 7 3.678 -4.760 -3.846 1.00 0.00 N ATOM 106 CA ASN A 7 2.489 -4.728 -4.682 1.00 0.00 C ATOM 107 C ASN A 7 1.530 -5.847 -4.293 1.00 0.00 C ATOM 108 O ASN A 7 0.339 -5.633 -4.234 1.00 0.00 O ATOM 109 CB ASN A 7 2.854 -4.837 -6.172 1.00 0.00 C ATOM 110 CG ASN A 7 1.646 -4.699 -7.093 1.00 0.00 C ATOM 111 OD1 ASN A 7 0.980 -5.685 -7.449 1.00 0.00 O ATOM 112 ND2 ASN A 7 1.359 -3.479 -7.502 1.00 0.00 N ATOM 0 H ASN A 7 4.538 -4.948 -4.361 1.00 0.00 H new ATOM 0 HA ASN A 7 1.995 -3.770 -4.521 1.00 0.00 H new ATOM 0 HB2 ASN A 7 3.583 -4.065 -6.419 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.334 -5.798 -6.353 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.570 -3.324 -8.129 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.926 -2.690 -7.191 1.00 0.00 H new ATOM 119 N ASP A 8 2.072 -7.031 -4.000 1.00 0.00 N ATOM 120 CA ASP A 8 1.264 -8.203 -3.568 1.00 0.00 C ATOM 121 C ASP A 8 0.464 -7.892 -2.298 1.00 0.00 C ATOM 122 O ASP A 8 -0.691 -8.321 -2.143 1.00 0.00 O ATOM 123 CB ASP A 8 2.168 -9.434 -3.341 1.00 0.00 C ATOM 124 CG ASP A 8 1.417 -10.676 -2.865 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.527 -11.166 -3.586 1.00 0.00 O ATOM 126 OD2 ASP A 8 1.711 -11.187 -1.755 1.00 0.00 O ATOM 0 H ASP A 8 3.074 -7.217 -4.051 1.00 0.00 H new ATOM 0 HA ASP A 8 0.557 -8.428 -4.366 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.685 -9.669 -4.271 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.932 -9.180 -2.607 1.00 0.00 H new ATOM 131 N ARG A 9 1.079 -7.140 -1.397 1.00 0.00 N ATOM 132 CA ARG A 9 0.424 -6.705 -0.163 1.00 0.00 C ATOM 133 C ARG A 9 -0.733 -5.772 -0.496 1.00 0.00 C ATOM 134 O ARG A 9 -1.874 -5.967 -0.042 1.00 0.00 O ATOM 135 CB ARG A 9 1.408 -5.954 0.730 1.00 0.00 C ATOM 136 CG ARG A 9 2.606 -6.755 1.188 1.00 0.00 C ATOM 137 CD ARG A 9 3.569 -5.870 1.963 1.00 0.00 C ATOM 138 NE ARG A 9 2.935 -5.269 3.135 1.00 0.00 N ATOM 139 CZ ARG A 9 3.409 -4.221 3.832 1.00 0.00 C ATOM 140 NH1 ARG A 9 4.578 -3.664 3.513 1.00 0.00 N ATOM 141 NH2 ARG A 9 2.718 -3.746 4.855 1.00 0.00 N ATOM 0 H ARG A 9 2.040 -6.814 -1.496 1.00 0.00 H new ATOM 0 HA ARG A 9 0.059 -7.589 0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.763 -5.075 0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.874 -5.595 1.610 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.279 -7.584 1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.113 -7.188 0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.430 -6.460 2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.944 -5.082 1.309 1.00 0.00 H new ATOM 0 HE ARG A 9 2.057 -5.680 3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.123 -4.032 2.733 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.927 -2.870 4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.829 -4.174 5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.074 -2.951 5.386 1.00 0.00 H new ATOM 155 N ILE A 10 -0.424 -4.787 -1.317 1.00 0.00 N ATOM 156 CA ILE A 10 -1.363 -3.764 -1.733 1.00 0.00 C ATOM 157 C ILE A 10 -2.516 -4.372 -2.513 1.00 0.00 C ATOM 158 O ILE A 10 -3.667 -4.052 -2.258 1.00 0.00 O ATOM 159 CB ILE A 10 -0.653 -2.693 -2.602 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.485 -2.066 -1.803 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.636 -1.617 -3.080 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.314 -1.087 -2.586 1.00 0.00 C ATOM 0 H ILE A 10 0.506 -4.674 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.759 -3.290 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.248 -3.178 -3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.068 -1.559 -0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.133 -2.859 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.105 -0.883 -3.686 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.421 -2.081 -3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.081 -1.122 -2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.102 -0.685 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.762 -1.592 -3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.680 -0.272 -2.937 1.00 0.00 H new ATOM 174 N GLU A 11 -2.190 -5.283 -3.426 1.00 0.00 N ATOM 175 CA GLU A 11 -3.157 -5.941 -4.296 1.00 0.00 C ATOM 176 C GLU A 11 -4.234 -6.634 -3.474 1.00 0.00 C ATOM 177 O GLU A 11 -5.415 -6.586 -3.813 1.00 0.00 O ATOM 178 CB GLU A 11 -2.460 -6.961 -5.191 1.00 0.00 C ATOM 179 CG GLU A 11 -3.331 -7.485 -6.320 1.00 0.00 C ATOM 180 CD GLU A 11 -3.677 -6.423 -7.336 1.00 0.00 C ATOM 181 OE1 GLU A 11 -4.679 -5.702 -7.161 1.00 0.00 O ATOM 182 OE2 GLU A 11 -2.955 -6.307 -8.346 1.00 0.00 O ATOM 0 H GLU A 11 -1.230 -5.589 -3.584 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.624 -5.179 -4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.566 -6.506 -5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.130 -7.801 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.815 -8.305 -6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.251 -7.895 -5.903 1.00 0.00 H new ATOM 189 N ALA A 12 -3.825 -7.252 -2.386 1.00 0.00 N ATOM 190 CA ALA A 12 -4.751 -7.923 -1.495 1.00 0.00 C ATOM 191 C ALA A 12 -5.692 -6.914 -0.836 1.00 0.00 C ATOM 192 O ALA A 12 -6.893 -7.165 -0.685 1.00 0.00 O ATOM 193 CB ALA A 12 -3.983 -8.708 -0.445 1.00 0.00 C ATOM 0 H ALA A 12 -2.849 -7.304 -2.095 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.357 -8.618 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.686 -9.209 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.354 -9.451 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.358 -8.027 0.133 1.00 0.00 H new ATOM 199 N LYS A 13 -5.162 -5.748 -0.521 1.00 0.00 N ATOM 200 CA LYS A 13 -5.943 -4.729 0.150 1.00 0.00 C ATOM 201 C LYS A 13 -6.880 -4.048 -0.824 1.00 0.00 C ATOM 202 O LYS A 13 -8.029 -3.785 -0.505 1.00 0.00 O ATOM 203 CB LYS A 13 -5.041 -3.704 0.850 1.00 0.00 C ATOM 204 CG LYS A 13 -4.212 -4.276 1.995 1.00 0.00 C ATOM 205 CD LYS A 13 -5.102 -4.799 3.122 1.00 0.00 C ATOM 206 CE LYS A 13 -4.280 -5.362 4.272 1.00 0.00 C ATOM 207 NZ LYS A 13 -3.388 -4.346 4.863 1.00 0.00 N ATOM 0 H LYS A 13 -4.197 -5.484 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.542 -5.218 0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.368 -3.267 0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.661 -2.895 1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.583 -5.084 1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.545 -3.506 2.383 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.737 -3.992 3.489 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.763 -5.574 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.949 -5.748 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.685 -6.203 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.027 -4.690 5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.590 -4.168 4.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.917 -3.463 5.010 1.00 0.00 H new ATOM 221 N LYS A 14 -6.403 -3.799 -2.022 1.00 0.00 N ATOM 222 CA LYS A 14 -7.209 -3.149 -3.025 1.00 0.00 C ATOM 223 C LYS A 14 -8.269 -4.060 -3.605 1.00 0.00 C ATOM 224 O LYS A 14 -9.340 -3.591 -3.933 1.00 0.00 O ATOM 225 CB LYS A 14 -6.367 -2.449 -4.096 1.00 0.00 C ATOM 226 CG LYS A 14 -5.309 -3.318 -4.734 1.00 0.00 C ATOM 227 CD LYS A 14 -4.355 -2.495 -5.572 1.00 0.00 C ATOM 228 CE LYS A 14 -4.985 -2.044 -6.873 1.00 0.00 C ATOM 229 NZ LYS A 14 -5.061 -3.153 -7.850 1.00 0.00 N ATOM 0 H LYS A 14 -5.459 -4.038 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.752 -2.356 -2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.032 -2.077 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.883 -1.581 -3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.753 -3.846 -3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.784 -4.075 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.034 -1.622 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.462 -3.082 -5.786 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.986 -1.658 -6.680 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.404 -1.224 -7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.012 -3.180 -8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.355 -3.005 -8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.870 -4.054 -7.368 1.00 0.00 H new ATOM 243 N LYS A 15 -8.005 -5.371 -3.696 1.00 0.00 N ATOM 244 CA LYS A 15 -9.042 -6.289 -4.169 1.00 0.00 C ATOM 245 C LYS A 15 -10.191 -6.316 -3.167 1.00 0.00 C ATOM 246 O LYS A 15 -11.367 -6.439 -3.530 1.00 0.00 O ATOM 247 CB LYS A 15 -8.479 -7.706 -4.516 1.00 0.00 C ATOM 248 CG LYS A 15 -7.985 -8.582 -3.364 1.00 0.00 C ATOM 249 CD LYS A 15 -9.118 -9.215 -2.553 1.00 0.00 C ATOM 250 CE LYS A 15 -9.921 -10.227 -3.365 1.00 0.00 C ATOM 251 NZ LYS A 15 -11.034 -10.809 -2.586 1.00 0.00 N ATOM 0 H LYS A 15 -7.114 -5.805 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.435 -5.919 -5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.259 -8.256 -5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.653 -7.576 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.350 -9.372 -3.765 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.365 -7.980 -2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.701 -9.707 -1.675 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.785 -8.432 -2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.318 -9.742 -4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.260 -11.025 -3.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.552 -11.491 -3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.655 -11.295 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.680 -10.052 -2.284 1.00 0.00 H new ATOM 265 N GLU A 16 -9.829 -6.148 -1.906 1.00 0.00 N ATOM 266 CA GLU A 16 -10.777 -6.082 -0.836 1.00 0.00 C ATOM 267 C GLU A 16 -11.502 -4.750 -0.896 1.00 0.00 C ATOM 268 O GLU A 16 -12.726 -4.702 -0.835 1.00 0.00 O ATOM 269 CB GLU A 16 -10.056 -6.259 0.496 1.00 0.00 C ATOM 270 CG GLU A 16 -10.952 -6.220 1.713 1.00 0.00 C ATOM 271 CD GLU A 16 -10.191 -6.533 2.963 1.00 0.00 C ATOM 272 OE1 GLU A 16 -9.915 -7.725 3.204 1.00 0.00 O ATOM 273 OE2 GLU A 16 -9.859 -5.614 3.742 1.00 0.00 O ATOM 0 H GLU A 16 -8.858 -6.054 -1.607 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.512 -6.881 -0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.527 -7.212 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.303 -5.477 0.592 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.407 -5.233 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.765 -6.936 1.591 1.00 0.00 H new ATOM 280 N LEU A 17 -10.735 -3.683 -1.068 1.00 0.00 N ATOM 281 CA LEU A 17 -11.258 -2.334 -1.160 1.00 0.00 C ATOM 282 C LEU A 17 -12.279 -2.206 -2.278 1.00 0.00 C ATOM 283 O LEU A 17 -13.341 -1.653 -2.065 1.00 0.00 O ATOM 284 CB LEU A 17 -10.129 -1.320 -1.351 1.00 0.00 C ATOM 285 CG LEU A 17 -10.545 0.154 -1.418 1.00 0.00 C ATOM 286 CD1 LEU A 17 -11.222 0.586 -0.124 1.00 0.00 C ATOM 287 CD2 LEU A 17 -9.339 1.026 -1.710 1.00 0.00 C ATOM 0 H LEU A 17 -9.719 -3.734 -1.148 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.762 -2.117 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.420 -1.439 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.598 -1.568 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.264 0.273 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.508 1.635 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.111 -0.022 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.532 0.454 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.648 2.070 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.599 0.900 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.902 0.735 -2.665 1.00 0.00 H new ATOM 299 N ILE A 18 -11.967 -2.751 -3.458 1.00 0.00 N ATOM 300 CA ILE A 18 -12.899 -2.700 -4.591 1.00 0.00 C ATOM 301 C ILE A 18 -14.204 -3.404 -4.213 1.00 0.00 C ATOM 302 O ILE A 18 -15.287 -2.882 -4.455 1.00 0.00 O ATOM 303 CB ILE A 18 -12.306 -3.332 -5.889 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.006 -2.621 -6.286 1.00 0.00 C ATOM 305 CG2 ILE A 18 -13.321 -3.231 -7.033 1.00 0.00 C ATOM 306 CD1 ILE A 18 -10.282 -3.257 -7.456 1.00 0.00 C ATOM 0 H ILE A 18 -11.087 -3.228 -3.654 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.088 -1.649 -4.810 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.087 -4.382 -5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.233 -1.584 -6.534 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -10.337 -2.604 -5.425 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -12.898 -3.675 -7.935 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.232 -3.763 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.556 -2.183 -7.220 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.374 -2.694 -7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.020 -4.285 -7.206 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.930 -3.250 -8.332 1.00 0.00 H new ATOM 318 N TYR A 19 -14.083 -4.555 -3.546 1.00 0.00 N ATOM 319 CA TYR A 19 -15.248 -5.308 -3.078 1.00 0.00 C ATOM 320 C TYR A 19 -16.049 -4.461 -2.080 1.00 0.00 C ATOM 321 O TYR A 19 -17.288 -4.443 -2.099 1.00 0.00 O ATOM 322 CB TYR A 19 -14.804 -6.643 -2.430 1.00 0.00 C ATOM 323 CG TYR A 19 -15.943 -7.491 -1.885 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.636 -8.365 -2.706 1.00 0.00 C ATOM 325 CD2 TYR A 19 -16.330 -7.401 -0.552 1.00 0.00 C ATOM 326 CE1 TYR A 19 -17.684 -9.125 -2.219 1.00 0.00 C ATOM 327 CE2 TYR A 19 -17.369 -8.160 -0.058 1.00 0.00 C ATOM 328 CZ TYR A 19 -18.044 -9.017 -0.895 1.00 0.00 C ATOM 329 OH TYR A 19 -19.099 -9.756 -0.407 1.00 0.00 O ATOM 0 H TYR A 19 -13.187 -4.986 -3.318 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.886 -5.541 -3.931 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.256 -7.226 -3.170 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.110 -6.425 -1.618 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.353 -8.455 -3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.807 -6.724 0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.217 -9.799 -2.874 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -17.652 -8.082 0.981 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.220 -9.563 0.546 1.00 0.00 H new ATOM 339 N LEU A 20 -15.336 -3.743 -1.232 1.00 0.00 N ATOM 340 CA LEU A 20 -15.952 -2.871 -0.257 1.00 0.00 C ATOM 341 C LEU A 20 -16.656 -1.707 -0.951 1.00 0.00 C ATOM 342 O LEU A 20 -17.701 -1.275 -0.515 1.00 0.00 O ATOM 343 CB LEU A 20 -14.927 -2.349 0.758 1.00 0.00 C ATOM 344 CG LEU A 20 -14.136 -3.403 1.549 1.00 0.00 C ATOM 345 CD1 LEU A 20 -13.198 -2.738 2.519 1.00 0.00 C ATOM 346 CD2 LEU A 20 -15.054 -4.363 2.282 1.00 0.00 C ATOM 0 H LEU A 20 -14.316 -3.750 -1.202 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.693 -3.455 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.215 -1.717 0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.449 -1.711 1.471 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.555 -3.982 0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.646 -3.499 3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.498 -2.106 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.770 -2.127 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.456 -5.092 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.678 -3.807 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.689 -4.880 1.563 1.00 0.00 H new ATOM 358 N VAL A 21 -16.089 -1.224 -2.038 1.00 0.00 N ATOM 359 CA VAL A 21 -16.701 -0.152 -2.821 1.00 0.00 C ATOM 360 C VAL A 21 -17.990 -0.650 -3.485 1.00 0.00 C ATOM 361 O VAL A 21 -18.969 0.083 -3.593 1.00 0.00 O ATOM 362 CB VAL A 21 -15.730 0.419 -3.901 1.00 0.00 C ATOM 363 CG1 VAL A 21 -16.400 1.518 -4.718 1.00 0.00 C ATOM 364 CG2 VAL A 21 -14.479 0.964 -3.252 1.00 0.00 C ATOM 0 H VAL A 21 -15.198 -1.556 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 21 -16.935 0.658 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 21 -15.463 -0.399 -4.570 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.699 1.897 -5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -17.279 1.114 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -16.701 2.331 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -13.813 1.358 -4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -14.747 1.762 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -13.974 0.166 -2.708 1.00 0.00 H new ATOM 374 N GLU A 22 -17.983 -1.887 -3.914 1.00 0.00 N ATOM 375 CA GLU A 22 -19.161 -2.478 -4.517 1.00 0.00 C ATOM 376 C GLU A 22 -20.270 -2.651 -3.472 1.00 0.00 C ATOM 377 O GLU A 22 -21.399 -2.194 -3.664 1.00 0.00 O ATOM 378 CB GLU A 22 -18.827 -3.833 -5.144 1.00 0.00 C ATOM 379 CG GLU A 22 -17.727 -3.775 -6.185 1.00 0.00 C ATOM 380 CD GLU A 22 -17.410 -5.122 -6.769 1.00 0.00 C ATOM 381 OE1 GLU A 22 -16.925 -6.004 -6.036 1.00 0.00 O ATOM 382 OE2 GLU A 22 -17.648 -5.330 -7.977 1.00 0.00 O ATOM 0 H GLU A 22 -17.176 -2.508 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 22 -19.512 -1.805 -5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.531 -4.524 -4.355 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -19.727 -4.241 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.025 -3.098 -6.985 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.827 -3.358 -5.733 1.00 0.00 H new ATOM 389 N LYS A 23 -19.932 -3.276 -2.359 1.00 0.00 N ATOM 390 CA LYS A 23 -20.918 -3.616 -1.338 1.00 0.00 C ATOM 391 C LYS A 23 -21.257 -2.457 -0.395 1.00 0.00 C ATOM 392 O LYS A 23 -22.425 -2.180 -0.151 1.00 0.00 O ATOM 393 CB LYS A 23 -20.472 -4.849 -0.544 1.00 0.00 C ATOM 394 CG LYS A 23 -20.172 -6.063 -1.418 1.00 0.00 C ATOM 395 CD LYS A 23 -21.375 -6.474 -2.253 1.00 0.00 C ATOM 396 CE LYS A 23 -21.020 -7.594 -3.209 1.00 0.00 C ATOM 397 NZ LYS A 23 -22.166 -7.974 -4.052 1.00 0.00 N ATOM 0 H LYS A 23 -18.979 -3.561 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.839 -3.845 -1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.581 -4.597 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.251 -5.111 0.172 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -19.333 -5.837 -2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.866 -6.898 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.184 -6.795 -1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -21.742 -5.615 -2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -20.190 -7.282 -3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.681 -8.462 -2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.885 -8.743 -4.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.950 -8.295 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -22.474 -7.152 -4.611 1.00 0.00 H new ATOM 411 N TYR A 24 -20.256 -1.789 0.124 1.00 0.00 N ATOM 412 CA TYR A 24 -20.481 -0.725 1.100 1.00 0.00 C ATOM 413 C TYR A 24 -20.484 0.637 0.429 1.00 0.00 C ATOM 414 O TYR A 24 -21.245 1.536 0.822 1.00 0.00 O ATOM 415 CB TYR A 24 -19.430 -0.768 2.214 1.00 0.00 C ATOM 416 CG TYR A 24 -19.408 -2.059 2.998 1.00 0.00 C ATOM 417 CD1 TYR A 24 -20.364 -2.327 3.969 1.00 0.00 C ATOM 418 CD2 TYR A 24 -18.432 -3.010 2.764 1.00 0.00 C ATOM 419 CE1 TYR A 24 -20.341 -3.510 4.683 1.00 0.00 C ATOM 420 CE2 TYR A 24 -18.401 -4.192 3.470 1.00 0.00 C ATOM 421 CZ TYR A 24 -19.355 -4.438 4.429 1.00 0.00 C ATOM 422 OH TYR A 24 -19.323 -5.620 5.130 1.00 0.00 O ATOM 0 H TYR A 24 -19.276 -1.955 -0.106 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.461 -0.890 1.548 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.445 -0.606 1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.612 0.058 2.902 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -21.137 -1.600 4.169 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -17.679 -2.822 2.013 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -21.091 -3.706 5.435 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.631 -4.922 3.271 1.00 0.00 H new ATOM 0 HH TYR A 24 -18.564 -6.160 4.826 1.00 0.00 H new ATOM 432 N GLY A 25 -19.621 0.797 -0.549 1.00 0.00 N ATOM 433 CA GLY A 25 -19.579 2.014 -1.336 1.00 0.00 C ATOM 434 C GLY A 25 -18.877 3.167 -0.653 1.00 0.00 C ATOM 435 O GLY A 25 -18.719 3.185 0.595 1.00 0.00 O ATOM 0 H GLY A 25 -18.933 0.095 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -19.077 1.806 -2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -20.599 2.314 -1.576 1.00 0.00 H new ATOM 439 N PHE A 26 -18.441 4.134 -1.449 1.00 0.00 N ATOM 440 CA PHE A 26 -17.829 5.323 -0.911 1.00 0.00 C ATOM 441 C PHE A 26 -18.860 6.216 -0.244 1.00 0.00 C ATOM 442 O PHE A 26 -19.461 7.097 -0.866 1.00 0.00 O ATOM 443 CB PHE A 26 -17.017 6.117 -1.933 1.00 0.00 C ATOM 444 CG PHE A 26 -15.657 5.565 -2.226 1.00 0.00 C ATOM 445 CD1 PHE A 26 -14.621 5.766 -1.334 1.00 0.00 C ATOM 446 CD2 PHE A 26 -15.406 4.866 -3.383 1.00 0.00 C ATOM 447 CE1 PHE A 26 -13.364 5.277 -1.588 1.00 0.00 C ATOM 448 CE2 PHE A 26 -14.146 4.374 -3.648 1.00 0.00 C ATOM 449 CZ PHE A 26 -13.125 4.580 -2.749 1.00 0.00 C ATOM 0 H PHE A 26 -18.503 4.111 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.119 4.972 -0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.581 6.166 -2.864 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -16.908 7.140 -1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.803 6.316 -0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.204 4.701 -4.091 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.566 5.439 -0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -13.960 3.827 -4.561 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.137 4.195 -2.955 1.00 0.00 H new ATOM 459 N THR A 27 -19.081 5.933 0.993 1.00 0.00 N ATOM 460 CA THR A 27 -19.978 6.647 1.853 1.00 0.00 C ATOM 461 C THR A 27 -19.710 6.128 3.259 1.00 0.00 C ATOM 462 O THR A 27 -19.861 6.832 4.260 1.00 0.00 O ATOM 463 CB THR A 27 -21.495 6.486 1.424 1.00 0.00 C ATOM 464 OG1 THR A 27 -22.327 7.376 2.181 1.00 0.00 O ATOM 465 CG2 THR A 27 -22.002 5.052 1.595 1.00 0.00 C ATOM 0 H THR A 27 -18.618 5.155 1.463 1.00 0.00 H new ATOM 0 HA THR A 27 -19.801 7.721 1.793 1.00 0.00 H new ATOM 0 HB THR A 27 -21.549 6.736 0.364 1.00 0.00 H new ATOM 0 HG1 THR A 27 -23.261 7.266 1.904 1.00 0.00 H new ATOM 0 HG21 THR A 27 -23.046 4.996 1.287 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.406 4.379 0.979 1.00 0.00 H new ATOM 0 HG23 THR A 27 -21.916 4.758 2.641 1.00 0.00 H new ATOM 473 N HIS A 28 -19.271 4.872 3.308 1.00 0.00 N ATOM 474 CA HIS A 28 -18.786 4.279 4.520 1.00 0.00 C ATOM 475 C HIS A 28 -17.431 4.838 4.813 1.00 0.00 C ATOM 476 O HIS A 28 -16.565 4.861 3.919 1.00 0.00 O ATOM 477 CB HIS A 28 -18.685 2.761 4.381 1.00 0.00 C ATOM 478 CG HIS A 28 -19.959 2.036 4.609 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.969 1.894 3.677 1.00 0.00 N ATOM 480 CD2 HIS A 28 -20.378 1.401 5.713 1.00 0.00 C ATOM 481 CE1 HIS A 28 -21.952 1.195 4.246 1.00 0.00 C ATOM 482 NE2 HIS A 28 -21.641 0.866 5.488 1.00 0.00 N ATOM 0 H HIS A 28 -19.248 4.249 2.500 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.480 4.504 5.330 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -18.321 2.524 3.381 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -17.941 2.393 5.087 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -20.964 2.258 2.724 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -19.821 1.318 6.634 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -22.879 0.933 3.757 1.00 0.00 H new ATOM 490 N HIS A 29 -17.229 5.275 6.042 1.00 0.00 N ATOM 491 CA HIS A 29 -15.957 5.844 6.456 1.00 0.00 C ATOM 492 C HIS A 29 -14.868 4.791 6.319 1.00 0.00 C ATOM 493 O HIS A 29 -13.738 5.109 5.986 1.00 0.00 O ATOM 494 CB HIS A 29 -16.036 6.402 7.897 1.00 0.00 C ATOM 495 CG HIS A 29 -14.760 7.055 8.387 1.00 0.00 C ATOM 496 ND1 HIS A 29 -14.463 8.395 8.239 1.00 0.00 N ATOM 497 CD2 HIS A 29 -13.698 6.515 9.034 1.00 0.00 C ATOM 498 CE1 HIS A 29 -13.267 8.619 8.785 1.00 0.00 C ATOM 499 NE2 HIS A 29 -12.758 7.505 9.283 1.00 0.00 N ATOM 0 H HIS A 29 -17.935 5.247 6.778 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.712 6.686 5.808 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -16.845 7.131 7.947 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -16.297 5.589 8.574 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -13.599 5.476 9.312 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.779 9.582 8.816 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -11.860 7.396 9.753 1.00 0.00 H new ATOM 507 N LYS A 30 -15.250 3.530 6.543 1.00 0.00 N ATOM 508 CA LYS A 30 -14.366 2.380 6.356 1.00 0.00 C ATOM 509 C LYS A 30 -13.711 2.418 4.984 1.00 0.00 C ATOM 510 O LYS A 30 -12.494 2.505 4.878 1.00 0.00 O ATOM 511 CB LYS A 30 -15.156 1.073 6.502 1.00 0.00 C ATOM 512 CG LYS A 30 -15.565 0.736 7.922 1.00 0.00 C ATOM 513 CD LYS A 30 -14.341 0.417 8.770 1.00 0.00 C ATOM 514 CE LYS A 30 -14.704 0.068 10.198 1.00 0.00 C ATOM 515 NZ LYS A 30 -15.356 1.185 10.898 1.00 0.00 N ATOM 0 H LYS A 30 -16.186 3.279 6.861 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.591 2.426 7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.052 1.135 5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.554 0.254 6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.108 1.574 8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.244 -0.117 7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.799 -0.416 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.667 1.274 8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.368 -0.796 10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.803 -0.220 10.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.432 0.963 11.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.791 2.049 10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.307 1.334 10.504 1.00 0.00 H new ATOM 529 N VAL A 31 -14.536 2.420 3.954 1.00 0.00 N ATOM 530 CA VAL A 31 -14.086 2.405 2.566 1.00 0.00 C ATOM 531 C VAL A 31 -13.213 3.626 2.264 1.00 0.00 C ATOM 532 O VAL A 31 -12.153 3.512 1.646 1.00 0.00 O ATOM 533 CB VAL A 31 -15.301 2.369 1.597 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.854 2.311 0.147 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.202 1.188 1.915 1.00 0.00 C ATOM 0 H VAL A 31 -15.551 2.432 4.054 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.490 1.505 2.416 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.863 3.292 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.729 2.287 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.254 3.191 -0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.258 1.413 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.047 1.179 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.638 0.261 1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.568 1.275 2.938 1.00 0.00 H new ATOM 545 N ILE A 32 -13.637 4.774 2.748 1.00 0.00 N ATOM 546 CA ILE A 32 -12.912 6.013 2.526 1.00 0.00 C ATOM 547 C ILE A 32 -11.545 5.974 3.237 1.00 0.00 C ATOM 548 O ILE A 32 -10.526 6.369 2.668 1.00 0.00 O ATOM 549 CB ILE A 32 -13.740 7.237 3.007 1.00 0.00 C ATOM 550 CG1 ILE A 32 -15.101 7.255 2.291 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.979 8.536 2.736 1.00 0.00 C ATOM 552 CD1 ILE A 32 -16.054 8.320 2.780 1.00 0.00 C ATOM 0 H ILE A 32 -14.487 4.878 3.303 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.744 6.118 1.454 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.904 7.154 4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.933 7.398 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.573 6.280 2.412 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.572 9.384 3.079 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -12.029 8.519 3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.793 8.632 1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.987 8.258 2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -16.257 8.168 3.840 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -15.607 9.303 2.634 1.00 0.00 H new ATOM 564 N SER A 33 -11.530 5.458 4.449 1.00 0.00 N ATOM 565 CA SER A 33 -10.325 5.353 5.237 1.00 0.00 C ATOM 566 C SER A 33 -9.359 4.350 4.592 1.00 0.00 C ATOM 567 O SER A 33 -8.167 4.626 4.473 1.00 0.00 O ATOM 568 CB SER A 33 -10.676 4.950 6.682 1.00 0.00 C ATOM 569 OG SER A 33 -9.553 5.017 7.556 1.00 0.00 O ATOM 0 H SER A 33 -12.362 5.098 4.916 1.00 0.00 H new ATOM 0 HA SER A 33 -9.827 6.322 5.269 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.463 5.604 7.057 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.075 3.936 6.686 1.00 0.00 H new ATOM 0 HG SER A 33 -9.826 4.754 8.460 1.00 0.00 H new ATOM 575 N PHE A 34 -9.883 3.209 4.135 1.00 0.00 N ATOM 576 CA PHE A 34 -9.046 2.207 3.478 1.00 0.00 C ATOM 577 C PHE A 34 -8.505 2.738 2.167 1.00 0.00 C ATOM 578 O PHE A 34 -7.403 2.409 1.777 1.00 0.00 O ATOM 579 CB PHE A 34 -9.786 0.892 3.217 1.00 0.00 C ATOM 580 CG PHE A 34 -10.283 0.168 4.433 1.00 0.00 C ATOM 581 CD1 PHE A 34 -9.496 0.034 5.565 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.544 -0.382 4.437 1.00 0.00 C ATOM 583 CE1 PHE A 34 -9.967 -0.637 6.675 1.00 0.00 C ATOM 584 CE2 PHE A 34 -12.022 -1.051 5.534 1.00 0.00 C ATOM 585 CZ PHE A 34 -11.234 -1.182 6.657 1.00 0.00 C ATOM 0 H PHE A 34 -10.870 2.960 4.207 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.227 1.999 4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.637 1.099 2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.121 0.226 2.668 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.503 0.459 5.579 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.168 -0.285 3.561 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.347 -0.735 7.554 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.015 -1.475 5.518 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.608 -1.710 7.521 1.00 0.00 H new ATOM 595 N SER A 35 -9.281 3.567 1.496 1.00 0.00 N ATOM 596 CA SER A 35 -8.855 4.149 0.243 1.00 0.00 C ATOM 597 C SER A 35 -7.691 5.117 0.491 1.00 0.00 C ATOM 598 O SER A 35 -6.693 5.073 -0.211 1.00 0.00 O ATOM 599 CB SER A 35 -10.036 4.844 -0.459 1.00 0.00 C ATOM 600 OG SER A 35 -9.730 5.205 -1.809 1.00 0.00 O ATOM 0 H SER A 35 -10.212 3.852 1.801 1.00 0.00 H new ATOM 0 HA SER A 35 -8.503 3.360 -0.421 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.902 4.182 -0.450 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.313 5.738 0.100 1.00 0.00 H new ATOM 0 HG SER A 35 -10.558 5.248 -2.332 1.00 0.00 H new ATOM 606 N GLN A 36 -7.812 5.944 1.531 1.00 0.00 N ATOM 607 CA GLN A 36 -6.748 6.889 1.902 1.00 0.00 C ATOM 608 C GLN A 36 -5.501 6.133 2.361 1.00 0.00 C ATOM 609 O GLN A 36 -4.365 6.574 2.159 1.00 0.00 O ATOM 610 CB GLN A 36 -7.224 7.830 3.010 1.00 0.00 C ATOM 611 CG GLN A 36 -8.364 8.741 2.600 1.00 0.00 C ATOM 612 CD GLN A 36 -8.838 9.622 3.734 1.00 0.00 C ATOM 613 OE1 GLN A 36 -8.329 10.726 3.933 1.00 0.00 O ATOM 614 NE2 GLN A 36 -9.813 9.159 4.468 1.00 0.00 N ATOM 0 H GLN A 36 -8.634 5.981 2.133 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.499 7.483 1.023 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.539 7.235 3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.384 8.442 3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.043 9.367 1.768 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.197 8.136 2.241 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.208 8.239 4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.180 9.717 5.239 1.00 0.00 H new ATOM 623 N GLU A 37 -5.724 4.998 2.984 1.00 0.00 N ATOM 624 CA GLU A 37 -4.657 4.145 3.433 1.00 0.00 C ATOM 625 C GLU A 37 -3.965 3.531 2.220 1.00 0.00 C ATOM 626 O GLU A 37 -2.735 3.549 2.113 1.00 0.00 O ATOM 627 CB GLU A 37 -5.230 3.067 4.353 1.00 0.00 C ATOM 628 CG GLU A 37 -4.199 2.184 5.018 1.00 0.00 C ATOM 629 CD GLU A 37 -3.194 2.970 5.824 1.00 0.00 C ATOM 630 OE1 GLU A 37 -3.527 4.073 6.322 1.00 0.00 O ATOM 631 OE2 GLU A 37 -2.047 2.515 5.961 1.00 0.00 O ATOM 0 H GLU A 37 -6.657 4.642 3.193 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.919 4.717 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.827 3.550 5.127 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.907 2.438 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.703 1.470 5.670 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.676 1.606 4.256 1.00 0.00 H new ATOM 638 N LEU A 38 -4.776 3.054 1.286 1.00 0.00 N ATOM 639 CA LEU A 38 -4.308 2.454 0.049 1.00 0.00 C ATOM 640 C LEU A 38 -3.512 3.502 -0.739 1.00 0.00 C ATOM 641 O LEU A 38 -2.499 3.182 -1.348 1.00 0.00 O ATOM 642 CB LEU A 38 -5.525 1.914 -0.762 1.00 0.00 C ATOM 643 CG LEU A 38 -5.284 0.824 -1.849 1.00 0.00 C ATOM 644 CD1 LEU A 38 -4.462 1.323 -3.030 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.645 -0.413 -1.230 1.00 0.00 C ATOM 0 H LEU A 38 -5.792 3.074 1.370 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.650 1.609 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.245 1.513 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.000 2.766 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.263 0.562 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.331 0.515 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.980 2.154 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.486 1.657 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.484 -1.164 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.689 -0.143 -0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.305 -0.818 -0.463 1.00 0.00 H new ATOM 657 N ASP A 39 -3.964 4.760 -0.694 1.00 0.00 N ATOM 658 CA ASP A 39 -3.239 5.871 -1.328 1.00 0.00 C ATOM 659 C ASP A 39 -1.827 5.969 -0.806 1.00 0.00 C ATOM 660 O ASP A 39 -0.879 6.124 -1.581 1.00 0.00 O ATOM 661 CB ASP A 39 -3.937 7.237 -1.160 1.00 0.00 C ATOM 662 CG ASP A 39 -5.138 7.427 -2.054 1.00 0.00 C ATOM 663 OD1 ASP A 39 -4.989 7.327 -3.296 1.00 0.00 O ATOM 664 OD2 ASP A 39 -6.234 7.741 -1.560 1.00 0.00 O ATOM 0 H ASP A 39 -4.827 5.036 -0.226 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.228 5.637 -2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.249 7.349 -0.122 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.216 8.029 -1.364 1.00 0.00 H new ATOM 669 N ARG A 40 -1.665 5.848 0.497 1.00 0.00 N ATOM 670 CA ARG A 40 -0.343 5.919 1.079 1.00 0.00 C ATOM 671 C ARG A 40 0.478 4.667 0.727 1.00 0.00 C ATOM 672 O ARG A 40 1.671 4.767 0.465 1.00 0.00 O ATOM 673 CB ARG A 40 -0.387 6.180 2.594 1.00 0.00 C ATOM 674 CG ARG A 40 0.997 6.327 3.237 1.00 0.00 C ATOM 675 CD ARG A 40 1.808 7.472 2.615 1.00 0.00 C ATOM 676 NE ARG A 40 3.168 7.529 3.169 1.00 0.00 N ATOM 677 CZ ARG A 40 4.269 7.951 2.520 1.00 0.00 C ATOM 678 NH1 ARG A 40 4.178 8.472 1.297 1.00 0.00 N ATOM 679 NH2 ARG A 40 5.454 7.869 3.119 1.00 0.00 N ATOM 0 H ARG A 40 -2.423 5.702 1.164 1.00 0.00 H new ATOM 0 HA ARG A 40 0.164 6.779 0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.962 7.087 2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.918 5.361 3.079 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.882 6.505 4.306 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.548 5.393 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.859 7.338 1.534 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.300 8.419 2.795 1.00 0.00 H new ATOM 0 HE ARG A 40 3.289 7.220 4.134 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.268 8.554 0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.019 8.789 0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.523 7.489 4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.293 8.187 2.634 1.00 0.00 H new ATOM 693 N LEU A 41 -0.172 3.506 0.683 1.00 0.00 N ATOM 694 CA LEU A 41 0.500 2.265 0.258 1.00 0.00 C ATOM 695 C LEU A 41 0.975 2.364 -1.185 1.00 0.00 C ATOM 696 O LEU A 41 2.082 1.955 -1.513 1.00 0.00 O ATOM 697 CB LEU A 41 -0.386 1.023 0.441 1.00 0.00 C ATOM 698 CG LEU A 41 -0.338 0.312 1.807 1.00 0.00 C ATOM 699 CD1 LEU A 41 -0.772 1.213 2.939 1.00 0.00 C ATOM 700 CD2 LEU A 41 -1.175 -0.953 1.779 1.00 0.00 C ATOM 0 H LEU A 41 -1.154 3.391 0.933 1.00 0.00 H new ATOM 0 HA LEU A 41 1.367 2.146 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.419 1.315 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.112 0.298 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 41 0.702 0.044 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.721 0.665 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.113 2.080 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.796 1.545 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.129 -1.441 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.210 -0.700 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.788 -1.628 1.016 1.00 0.00 H new ATOM 712 N LEU A 42 0.148 2.947 -2.029 1.00 0.00 N ATOM 713 CA LEU A 42 0.472 3.161 -3.436 1.00 0.00 C ATOM 714 C LEU A 42 1.667 4.118 -3.555 1.00 0.00 C ATOM 715 O LEU A 42 2.482 4.031 -4.485 1.00 0.00 O ATOM 716 CB LEU A 42 -0.750 3.740 -4.157 1.00 0.00 C ATOM 717 CG LEU A 42 -0.628 3.933 -5.666 1.00 0.00 C ATOM 718 CD1 LEU A 42 -0.422 2.594 -6.363 1.00 0.00 C ATOM 719 CD2 LEU A 42 -1.858 4.639 -6.204 1.00 0.00 C ATOM 0 H LEU A 42 -0.775 3.290 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 42 0.740 2.211 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.600 3.085 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.984 4.705 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 42 0.243 4.556 -5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.337 2.753 -7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.491 2.127 -5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.272 1.943 -6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.760 4.771 -7.281 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.744 4.040 -5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.956 5.614 -5.726 1.00 0.00 H new ATOM 731 N ASN A 43 1.767 5.007 -2.590 1.00 0.00 N ATOM 732 CA ASN A 43 2.858 5.964 -2.501 1.00 0.00 C ATOM 733 C ASN A 43 4.140 5.333 -2.025 1.00 0.00 C ATOM 734 O ASN A 43 5.200 5.890 -2.227 1.00 0.00 O ATOM 735 CB ASN A 43 2.503 7.148 -1.607 1.00 0.00 C ATOM 736 CG ASN A 43 1.880 8.293 -2.364 1.00 0.00 C ATOM 737 OD1 ASN A 43 2.579 9.203 -2.795 1.00 0.00 O ATOM 738 ND2 ASN A 43 0.588 8.266 -2.536 1.00 0.00 N ATOM 0 H ASN A 43 1.087 5.089 -1.834 1.00 0.00 H new ATOM 0 HA ASN A 43 3.017 6.327 -3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.814 6.816 -0.830 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.404 7.500 -1.105 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.125 9.020 -3.044 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.040 7.491 -2.162 1.00 0.00 H new ATOM 745 N LEU A 44 4.055 4.158 -1.418 1.00 0.00 N ATOM 746 CA LEU A 44 5.245 3.464 -0.928 1.00 0.00 C ATOM 747 C LEU A 44 6.160 3.086 -2.081 1.00 0.00 C ATOM 748 O LEU A 44 7.372 3.091 -1.945 1.00 0.00 O ATOM 749 CB LEU A 44 4.887 2.240 -0.077 1.00 0.00 C ATOM 750 CG LEU A 44 4.133 2.525 1.233 1.00 0.00 C ATOM 751 CD1 LEU A 44 3.797 1.228 1.948 1.00 0.00 C ATOM 752 CD2 LEU A 44 4.953 3.432 2.147 1.00 0.00 C ATOM 0 H LEU A 44 3.179 3.663 -1.252 1.00 0.00 H new ATOM 0 HA LEU A 44 5.782 4.155 -0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.281 1.566 -0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.808 1.709 0.165 1.00 0.00 H new ATOM 0 HG LEU A 44 3.204 3.038 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.264 1.450 2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.169 0.611 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.717 0.691 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.399 3.619 3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.900 2.948 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.147 4.378 1.642 1.00 0.00 H new ATOM 764 N LEU A 45 5.571 2.808 -3.232 1.00 0.00 N ATOM 765 CA LEU A 45 6.347 2.513 -4.434 1.00 0.00 C ATOM 766 C LEU A 45 7.166 3.744 -4.818 1.00 0.00 C ATOM 767 O LEU A 45 8.329 3.643 -5.207 1.00 0.00 O ATOM 768 CB LEU A 45 5.449 2.088 -5.622 1.00 0.00 C ATOM 769 CG LEU A 45 4.717 0.727 -5.527 1.00 0.00 C ATOM 770 CD1 LEU A 45 3.661 0.717 -4.442 1.00 0.00 C ATOM 771 CD2 LEU A 45 4.100 0.364 -6.863 1.00 0.00 C ATOM 0 H LEU A 45 4.560 2.779 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 45 7.005 1.673 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.696 2.863 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.067 2.073 -6.520 1.00 0.00 H new ATOM 0 HG LEU A 45 5.464 -0.021 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.176 -0.259 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.128 0.917 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.917 1.486 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.589 -0.595 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.384 1.132 -7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.883 0.294 -7.618 1.00 0.00 H new ATOM 783 N ILE A 46 6.552 4.900 -4.642 1.00 0.00 N ATOM 784 CA ILE A 46 7.170 6.189 -4.907 1.00 0.00 C ATOM 785 C ILE A 46 8.269 6.457 -3.875 1.00 0.00 C ATOM 786 O ILE A 46 9.348 6.960 -4.206 1.00 0.00 O ATOM 787 CB ILE A 46 6.107 7.313 -4.844 1.00 0.00 C ATOM 788 CG1 ILE A 46 5.054 7.113 -5.943 1.00 0.00 C ATOM 789 CG2 ILE A 46 6.750 8.689 -4.927 1.00 0.00 C ATOM 790 CD1 ILE A 46 3.910 8.101 -5.892 1.00 0.00 C ATOM 0 H ILE A 46 5.592 4.972 -4.305 1.00 0.00 H new ATOM 0 HA ILE A 46 7.608 6.173 -5.905 1.00 0.00 H new ATOM 0 HB ILE A 46 5.603 7.255 -3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.541 7.188 -6.915 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.651 6.103 -5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.976 9.456 -4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.441 8.819 -4.094 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.294 8.780 -5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.211 7.891 -6.702 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.395 8.012 -4.936 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.298 9.113 -6.002 1.00 0.00 H new ATOM 802 N GLU A 47 7.989 6.110 -2.635 1.00 0.00 N ATOM 803 CA GLU A 47 8.949 6.236 -1.554 1.00 0.00 C ATOM 804 C GLU A 47 10.195 5.405 -1.893 1.00 0.00 C ATOM 805 O GLU A 47 11.316 5.894 -1.808 1.00 0.00 O ATOM 806 CB GLU A 47 8.349 5.738 -0.251 1.00 0.00 C ATOM 807 CG GLU A 47 7.074 6.438 0.204 1.00 0.00 C ATOM 808 CD GLU A 47 7.260 7.884 0.575 1.00 0.00 C ATOM 809 OE1 GLU A 47 7.847 8.156 1.632 1.00 0.00 O ATOM 810 OE2 GLU A 47 6.765 8.780 -0.141 1.00 0.00 O ATOM 0 H GLU A 47 7.087 5.731 -2.346 1.00 0.00 H new ATOM 0 HA GLU A 47 9.218 7.286 -1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.139 4.673 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.098 5.841 0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.333 6.372 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.667 5.904 1.063 1.00 0.00 H new