USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 619 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+ -122:sc= 0.109 (180deg=0) USER MOD Single : A 9 TYR OH : rot 99:sc= -2.81! USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= -0.113 (180deg=-0.792) USER MOD Single : A 14 THR OG1 : rot -160:sc= -4.31! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.226 X(o=-0.23,f=-0.26) USER MOD Single : A 36 SER OG : rot 73:sc= 1.08 USER MOD Single : A 37 GLN : amide:sc= -0.69 K(o=-0.69,f=-3.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0545) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 32:sc= 1.2 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.00021) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.00082) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -7.5! C(o=-7.5!,f=-17!) USER MOD Single : A 72 SER OG : rot -120:sc= -1.28 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 19.031 8.269 3.074 1.00 0.00 N ATOM 2 CA ALA A 1 20.005 7.146 2.986 1.00 0.00 C ATOM 3 C ALA A 1 19.542 6.149 1.921 1.00 0.00 C ATOM 4 O ALA A 1 18.546 6.355 1.256 1.00 0.00 O ATOM 5 CB ALA A 1 20.095 6.441 4.342 1.00 0.00 C ATOM 0 H1 ALA A 1 19.520 9.168 2.890 1.00 0.00 H new ATOM 0 H2 ALA A 1 18.280 8.133 2.368 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.612 8.291 4.026 1.00 0.00 H new ATOM 0 HA ALA A 1 20.986 7.537 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.808 5.619 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 1 20.427 7.151 5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 1 19.115 6.051 4.615 1.00 0.00 H new ATOM 13 N GLU A 2 20.258 5.072 1.753 1.00 0.00 N ATOM 14 CA GLU A 2 19.860 4.065 0.729 1.00 0.00 C ATOM 15 C GLU A 2 18.969 3.007 1.367 1.00 0.00 C ATOM 16 O GLU A 2 19.405 1.922 1.696 1.00 0.00 O ATOM 17 CB GLU A 2 21.109 3.399 0.150 1.00 0.00 C ATOM 18 CG GLU A 2 21.038 3.424 -1.378 1.00 0.00 C ATOM 19 CD GLU A 2 22.422 3.131 -1.958 1.00 0.00 C ATOM 20 OE1 GLU A 2 23.395 3.576 -1.370 1.00 0.00 O ATOM 21 OE2 GLU A 2 22.487 2.469 -2.981 1.00 0.00 O ATOM 0 H GLU A 2 21.101 4.845 2.280 1.00 0.00 H new ATOM 0 HA GLU A 2 19.312 4.564 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 2 22.003 3.920 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 2 21.184 2.371 0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 2 20.320 2.684 -1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 2 20.687 4.398 -1.720 1.00 0.00 H new ATOM 28 N ILE A 3 17.716 3.314 1.527 1.00 0.00 N ATOM 29 CA ILE A 3 16.779 2.333 2.124 1.00 0.00 C ATOM 30 C ILE A 3 17.017 0.958 1.482 1.00 0.00 C ATOM 31 O ILE A 3 17.728 0.833 0.505 1.00 0.00 O ATOM 32 CB ILE A 3 15.341 2.837 1.882 1.00 0.00 C ATOM 33 CG1 ILE A 3 14.629 2.992 3.228 1.00 0.00 C ATOM 34 CG2 ILE A 3 14.558 1.879 0.981 1.00 0.00 C ATOM 35 CD1 ILE A 3 14.613 1.647 3.954 1.00 0.00 C ATOM 0 H ILE A 3 17.299 4.208 1.268 1.00 0.00 H new ATOM 0 HA ILE A 3 16.938 2.230 3.197 1.00 0.00 H new ATOM 0 HB ILE A 3 15.392 3.801 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 3 15.138 3.740 3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 3 13.610 3.346 3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 3 13.549 2.264 0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 3 15.061 1.793 0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 3 14.506 0.897 1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 3 14.106 1.757 4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 3 14.085 0.912 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 3 15.637 1.312 4.121 1.00 0.00 H new ATOM 47 N GLU A 4 16.428 -0.075 2.022 1.00 0.00 N ATOM 48 CA GLU A 4 16.628 -1.431 1.440 1.00 0.00 C ATOM 49 C GLU A 4 15.271 -2.043 1.086 1.00 0.00 C ATOM 50 O GLU A 4 14.308 -1.904 1.814 1.00 0.00 O ATOM 51 CB GLU A 4 17.338 -2.322 2.458 1.00 0.00 C ATOM 52 CG GLU A 4 18.373 -3.193 1.743 1.00 0.00 C ATOM 53 CD GLU A 4 19.736 -3.027 2.420 1.00 0.00 C ATOM 54 OE1 GLU A 4 19.817 -3.279 3.611 1.00 0.00 O ATOM 55 OE2 GLU A 4 20.673 -2.653 1.736 1.00 0.00 O ATOM 0 H GLU A 4 15.819 -0.038 2.839 1.00 0.00 H new ATOM 0 HA GLU A 4 17.235 -1.352 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 4 17.825 -1.709 3.216 1.00 0.00 H new ATOM 0 HB3 GLU A 4 16.613 -2.951 2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 4 18.066 -4.238 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 4 18.440 -2.909 0.693 1.00 0.00 H new ATOM 62 N VAL A 5 15.187 -2.723 -0.025 1.00 0.00 N ATOM 63 CA VAL A 5 13.892 -3.342 -0.419 1.00 0.00 C ATOM 64 C VAL A 5 13.548 -4.462 0.561 1.00 0.00 C ATOM 65 O VAL A 5 14.377 -4.904 1.331 1.00 0.00 O ATOM 66 CB VAL A 5 14.002 -3.901 -1.839 1.00 0.00 C ATOM 67 CG1 VAL A 5 12.855 -4.880 -2.105 1.00 0.00 C ATOM 68 CG2 VAL A 5 13.917 -2.742 -2.831 1.00 0.00 C ATOM 0 H VAL A 5 15.958 -2.876 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 5 13.103 -2.590 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 5 14.951 -4.425 -1.953 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.940 -5.274 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.905 -5.702 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.902 -4.362 -1.996 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.994 -3.127 -3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.964 -2.228 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.732 -2.043 -2.645 1.00 0.00 H new ATOM 78 N GLY A 6 12.326 -4.916 0.547 1.00 0.00 N ATOM 79 CA GLY A 6 11.928 -5.996 1.490 1.00 0.00 C ATOM 80 C GLY A 6 11.760 -5.396 2.888 1.00 0.00 C ATOM 81 O GLY A 6 11.465 -6.089 3.841 1.00 0.00 O ATOM 0 H GLY A 6 11.588 -4.587 -0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.996 -6.457 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 6 12.684 -6.781 1.505 1.00 0.00 H new ATOM 85 N ARG A 7 11.947 -4.108 3.017 1.00 0.00 N ATOM 86 CA ARG A 7 11.799 -3.462 4.352 1.00 0.00 C ATOM 87 C ARG A 7 10.317 -3.195 4.627 1.00 0.00 C ATOM 88 O ARG A 7 9.481 -3.335 3.758 1.00 0.00 O ATOM 89 CB ARG A 7 12.568 -2.140 4.365 1.00 0.00 C ATOM 90 CG ARG A 7 12.559 -1.558 5.780 1.00 0.00 C ATOM 91 CD ARG A 7 13.673 -0.518 5.916 1.00 0.00 C ATOM 92 NE ARG A 7 14.457 -0.796 7.153 1.00 0.00 N ATOM 93 CZ ARG A 7 15.729 -0.508 7.200 1.00 0.00 C ATOM 94 NH1 ARG A 7 16.181 0.565 6.611 1.00 0.00 N ATOM 95 NH2 ARG A 7 16.551 -1.296 7.839 1.00 0.00 N ATOM 0 H ARG A 7 12.196 -3.477 2.255 1.00 0.00 H new ATOM 0 HA ARG A 7 12.198 -4.121 5.123 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.594 -2.300 4.033 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.114 -1.436 3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 7 11.592 -1.099 5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.699 -2.353 6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.325 -0.550 5.043 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.247 0.485 5.959 1.00 0.00 H new ATOM 0 HE ARG A 7 13.999 -1.212 7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.540 1.181 6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.176 0.787 6.650 1.00 0.00 H new ATOM 0 HH21 ARG A 7 16.199 -2.135 8.300 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.546 -1.073 7.877 1.00 0.00 H new ATOM 109 N VAL A 8 9.984 -2.814 5.830 1.00 0.00 N ATOM 110 CA VAL A 8 8.557 -2.543 6.156 1.00 0.00 C ATOM 111 C VAL A 8 8.342 -1.038 6.331 1.00 0.00 C ATOM 112 O VAL A 8 8.882 -0.423 7.230 1.00 0.00 O ATOM 113 CB VAL A 8 8.187 -3.269 7.451 1.00 0.00 C ATOM 114 CG1 VAL A 8 6.785 -2.847 7.894 1.00 0.00 C ATOM 115 CG2 VAL A 8 8.212 -4.779 7.210 1.00 0.00 C ATOM 0 H VAL A 8 10.639 -2.679 6.600 1.00 0.00 H new ATOM 0 HA VAL A 8 7.925 -2.901 5.343 1.00 0.00 H new ATOM 0 HB VAL A 8 8.905 -3.011 8.230 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.524 -3.365 8.817 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.766 -1.771 8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.065 -3.104 7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.949 -5.299 8.131 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.494 -5.035 6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.211 -5.081 6.896 1.00 0.00 H new ATOM 125 N TYR A 9 7.553 -0.442 5.480 1.00 0.00 N ATOM 126 CA TYR A 9 7.293 1.021 5.595 1.00 0.00 C ATOM 127 C TYR A 9 6.043 1.243 6.449 1.00 0.00 C ATOM 128 O TYR A 9 5.528 0.334 7.067 1.00 0.00 O ATOM 129 CB TYR A 9 7.042 1.612 4.201 1.00 0.00 C ATOM 130 CG TYR A 9 8.339 2.074 3.582 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.414 1.186 3.441 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.460 3.395 3.138 1.00 0.00 C ATOM 133 CE1 TYR A 9 10.610 1.624 2.857 1.00 0.00 C ATOM 134 CE2 TYR A 9 9.652 3.832 2.554 1.00 0.00 C ATOM 135 CZ TYR A 9 10.728 2.947 2.413 1.00 0.00 C ATOM 136 OH TYR A 9 11.905 3.379 1.835 1.00 0.00 O ATOM 0 H TYR A 9 7.076 -0.907 4.708 1.00 0.00 H new ATOM 0 HA TYR A 9 8.156 1.504 6.053 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.573 0.864 3.561 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.348 2.450 4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.321 0.166 3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.631 4.078 3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.440 0.942 2.749 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.743 4.852 2.211 1.00 0.00 H new ATOM 0 HH TYR A 9 11.815 3.364 0.859 1.00 0.00 H new ATOM 146 N THR A 10 5.543 2.445 6.466 1.00 0.00 N ATOM 147 CA THR A 10 4.312 2.745 7.246 1.00 0.00 C ATOM 148 C THR A 10 3.594 3.901 6.562 1.00 0.00 C ATOM 149 O THR A 10 4.115 4.994 6.466 1.00 0.00 O ATOM 150 CB THR A 10 4.673 3.133 8.682 1.00 0.00 C ATOM 151 OG1 THR A 10 5.560 2.163 9.224 1.00 0.00 O ATOM 152 CG2 THR A 10 3.399 3.191 9.526 1.00 0.00 C ATOM 0 H THR A 10 5.939 3.242 5.967 1.00 0.00 H new ATOM 0 HA THR A 10 3.670 1.865 7.284 1.00 0.00 H new ATOM 0 HB THR A 10 5.157 4.110 8.687 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.794 2.411 10.143 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.653 3.467 10.549 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.719 3.933 9.108 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.916 2.214 9.523 1.00 0.00 H new ATOM 160 N GLY A 11 2.414 3.673 6.057 1.00 0.00 N ATOM 161 CA GLY A 11 1.702 4.773 5.355 1.00 0.00 C ATOM 162 C GLY A 11 0.283 4.929 5.890 1.00 0.00 C ATOM 163 O GLY A 11 -0.327 3.989 6.362 1.00 0.00 O ATOM 0 H GLY A 11 1.918 2.783 6.099 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.249 5.707 5.485 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.671 4.568 4.285 1.00 0.00 H new ATOM 167 N LYS A 12 -0.250 6.115 5.798 1.00 0.00 N ATOM 168 CA LYS A 12 -1.635 6.354 6.273 1.00 0.00 C ATOM 169 C LYS A 12 -2.579 6.189 5.091 1.00 0.00 C ATOM 170 O LYS A 12 -2.156 6.138 3.953 1.00 0.00 O ATOM 171 CB LYS A 12 -1.753 7.779 6.818 1.00 0.00 C ATOM 172 CG LYS A 12 -0.482 8.135 7.589 1.00 0.00 C ATOM 173 CD LYS A 12 0.342 9.140 6.782 1.00 0.00 C ATOM 174 CE LYS A 12 1.575 9.550 7.589 1.00 0.00 C ATOM 175 NZ LYS A 12 1.143 10.203 8.857 1.00 0.00 N ATOM 0 H LYS A 12 0.220 6.933 5.411 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.887 5.648 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.903 8.482 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.622 7.860 7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.740 8.557 8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.105 7.236 7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.645 8.699 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.261 10.017 6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.187 8.675 7.808 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.193 10.234 7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.913 10.800 9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.305 10.792 8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.909 9.474 9.561 1.00 0.00 H new ATOM 189 N VAL A 13 -3.849 6.116 5.337 1.00 0.00 N ATOM 190 CA VAL A 13 -4.796 5.961 4.207 1.00 0.00 C ATOM 191 C VAL A 13 -5.175 7.351 3.704 1.00 0.00 C ATOM 192 O VAL A 13 -5.906 8.078 4.347 1.00 0.00 O ATOM 193 CB VAL A 13 -6.044 5.226 4.690 1.00 0.00 C ATOM 194 CG1 VAL A 13 -7.000 5.027 3.516 1.00 0.00 C ATOM 195 CG2 VAL A 13 -5.642 3.865 5.263 1.00 0.00 C ATOM 0 H VAL A 13 -4.272 6.156 6.264 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.337 5.387 3.402 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.539 5.812 5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.892 4.502 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.284 5.998 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.508 4.439 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.532 3.339 5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.149 3.276 4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.958 4.010 6.100 1.00 0.00 H new ATOM 205 N THR A 14 -4.662 7.737 2.570 1.00 0.00 N ATOM 206 CA THR A 14 -4.969 9.096 2.042 1.00 0.00 C ATOM 207 C THR A 14 -5.850 8.992 0.788 1.00 0.00 C ATOM 208 O THR A 14 -6.275 9.989 0.238 1.00 0.00 O ATOM 209 CB THR A 14 -3.659 9.821 1.705 1.00 0.00 C ATOM 210 OG1 THR A 14 -3.371 9.661 0.325 1.00 0.00 O ATOM 211 CG2 THR A 14 -2.508 9.242 2.534 1.00 0.00 C ATOM 0 H THR A 14 -4.045 7.172 1.987 1.00 0.00 H new ATOM 0 HA THR A 14 -5.510 9.661 2.801 1.00 0.00 H new ATOM 0 HB THR A 14 -3.770 10.880 1.938 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.419 9.832 0.168 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.583 9.764 2.287 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.724 9.369 3.595 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.397 8.181 2.311 1.00 0.00 H new ATOM 219 N ARG A 15 -6.139 7.800 0.337 1.00 0.00 N ATOM 220 CA ARG A 15 -7.003 7.650 -0.874 1.00 0.00 C ATOM 221 C ARG A 15 -7.329 6.169 -1.106 1.00 0.00 C ATOM 222 O ARG A 15 -6.562 5.293 -0.766 1.00 0.00 O ATOM 223 CB ARG A 15 -6.303 8.219 -2.126 1.00 0.00 C ATOM 224 CG ARG A 15 -4.784 8.325 -1.923 1.00 0.00 C ATOM 225 CD ARG A 15 -4.361 9.792 -2.022 1.00 0.00 C ATOM 226 NE ARG A 15 -4.580 10.280 -3.412 1.00 0.00 N ATOM 227 CZ ARG A 15 -3.931 11.325 -3.848 1.00 0.00 C ATOM 228 NH1 ARG A 15 -2.696 11.203 -4.255 1.00 0.00 N ATOM 229 NH2 ARG A 15 -4.514 12.492 -3.876 1.00 0.00 N ATOM 0 H ARG A 15 -5.816 6.926 0.752 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.924 8.208 -0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.513 7.580 -2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.710 9.204 -2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.507 7.920 -0.950 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.263 7.733 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.935 10.395 -1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.311 9.898 -1.749 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.238 9.797 -4.024 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.239 10.291 -4.232 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.188 12.019 -4.596 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.478 12.588 -3.557 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.006 13.308 -4.217 1.00 0.00 H new ATOM 243 N ILE A 16 -8.467 5.895 -1.691 1.00 0.00 N ATOM 244 CA ILE A 16 -8.867 4.482 -1.969 1.00 0.00 C ATOM 245 C ILE A 16 -9.454 4.414 -3.382 1.00 0.00 C ATOM 246 O ILE A 16 -9.836 5.420 -3.945 1.00 0.00 O ATOM 247 CB ILE A 16 -9.921 4.034 -0.951 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.363 4.194 0.465 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.279 2.566 -1.194 1.00 0.00 C ATOM 250 CD1 ILE A 16 -10.283 3.484 1.460 1.00 0.00 C ATOM 0 H ILE A 16 -9.143 6.597 -1.991 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.000 3.826 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.815 4.648 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.358 3.776 0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.283 5.251 0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.029 2.249 -0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.678 2.451 -2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.386 1.951 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.885 3.598 2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.280 3.923 1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.340 2.425 1.210 1.00 0.00 H new ATOM 262 N VAL A 17 -9.528 3.249 -3.974 1.00 0.00 N ATOM 263 CA VAL A 17 -10.091 3.170 -5.356 1.00 0.00 C ATOM 264 C VAL A 17 -11.008 1.939 -5.488 1.00 0.00 C ATOM 265 O VAL A 17 -10.849 0.951 -4.802 1.00 0.00 O ATOM 266 CB VAL A 17 -8.941 3.106 -6.389 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.636 3.577 -5.762 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.735 1.680 -6.886 1.00 0.00 C ATOM 0 H VAL A 17 -9.228 2.362 -3.568 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.686 4.062 -5.550 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.216 3.753 -7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.837 3.526 -6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.747 4.606 -5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.388 2.937 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.921 1.661 -7.611 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.486 1.034 -6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.650 1.324 -7.359 1.00 0.00 H new ATOM 278 N ASP A 18 -11.954 1.984 -6.383 1.00 0.00 N ATOM 279 CA ASP A 18 -12.857 0.812 -6.563 1.00 0.00 C ATOM 280 C ASP A 18 -12.024 -0.426 -6.922 1.00 0.00 C ATOM 281 O ASP A 18 -12.246 -1.507 -6.415 1.00 0.00 O ATOM 282 CB ASP A 18 -13.850 1.105 -7.690 1.00 0.00 C ATOM 283 CG ASP A 18 -14.761 2.265 -7.285 1.00 0.00 C ATOM 284 OD1 ASP A 18 -14.326 3.083 -6.491 1.00 0.00 O ATOM 285 OD2 ASP A 18 -15.876 2.317 -7.777 1.00 0.00 O ATOM 0 H ASP A 18 -12.141 2.778 -6.996 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.402 0.626 -5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.313 1.354 -8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.447 0.218 -7.902 1.00 0.00 H new ATOM 290 N PHE A 19 -11.071 -0.274 -7.803 1.00 0.00 N ATOM 291 CA PHE A 19 -10.225 -1.437 -8.210 1.00 0.00 C ATOM 292 C PHE A 19 -8.997 -1.545 -7.298 1.00 0.00 C ATOM 293 O PHE A 19 -7.964 -2.037 -7.704 1.00 0.00 O ATOM 294 CB PHE A 19 -9.750 -1.231 -9.651 1.00 0.00 C ATOM 295 CG PHE A 19 -9.271 0.192 -9.803 1.00 0.00 C ATOM 296 CD1 PHE A 19 -8.005 0.557 -9.326 1.00 0.00 C ATOM 297 CD2 PHE A 19 -10.100 1.150 -10.396 1.00 0.00 C ATOM 298 CE1 PHE A 19 -7.572 1.884 -9.442 1.00 0.00 C ATOM 299 CE2 PHE A 19 -9.666 2.476 -10.510 1.00 0.00 C ATOM 300 CZ PHE A 19 -8.403 2.842 -10.031 1.00 0.00 C ATOM 0 H PHE A 19 -10.840 0.608 -8.260 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.816 -2.350 -8.130 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.946 -1.928 -9.887 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.562 -1.433 -10.349 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.364 -0.183 -8.870 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.074 0.867 -10.766 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.596 2.167 -9.076 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.306 3.216 -10.967 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.070 3.866 -10.116 1.00 0.00 H new ATOM 310 N GLY A 20 -9.086 -1.091 -6.075 1.00 0.00 N ATOM 311 CA GLY A 20 -7.895 -1.186 -5.182 1.00 0.00 C ATOM 312 C GLY A 20 -7.922 -0.099 -4.103 1.00 0.00 C ATOM 313 O GLY A 20 -8.960 0.386 -3.710 1.00 0.00 O ATOM 0 H GLY A 20 -9.916 -0.666 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.868 -2.169 -4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.985 -1.091 -5.774 1.00 0.00 H new ATOM 317 N ALA A 21 -6.773 0.280 -3.614 1.00 0.00 N ATOM 318 CA ALA A 21 -6.713 1.325 -2.560 1.00 0.00 C ATOM 319 C ALA A 21 -5.382 2.061 -2.664 1.00 0.00 C ATOM 320 O ALA A 21 -4.381 1.493 -3.037 1.00 0.00 O ATOM 321 CB ALA A 21 -6.801 0.673 -1.181 1.00 0.00 C ATOM 0 H ALA A 21 -5.869 -0.093 -3.903 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.543 2.019 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.757 1.443 -0.411 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.741 0.128 -1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.968 -0.018 -1.051 1.00 0.00 H new ATOM 327 N PHE A 22 -5.367 3.318 -2.338 1.00 0.00 N ATOM 328 CA PHE A 22 -4.108 4.103 -2.403 1.00 0.00 C ATOM 329 C PHE A 22 -3.630 4.392 -0.978 1.00 0.00 C ATOM 330 O PHE A 22 -4.393 4.326 -0.034 1.00 0.00 O ATOM 331 CB PHE A 22 -4.377 5.419 -3.132 1.00 0.00 C ATOM 332 CG PHE A 22 -4.554 5.163 -4.612 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.501 3.856 -5.121 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.758 6.241 -5.480 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.652 3.631 -6.490 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.906 6.013 -6.854 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.853 4.707 -7.357 1.00 0.00 C ATOM 0 H PHE A 22 -6.184 3.843 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.342 3.542 -2.939 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.271 5.893 -2.727 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.549 6.110 -2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.343 3.023 -4.452 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.801 7.248 -5.091 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.613 2.624 -6.879 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.061 6.844 -7.526 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.968 4.532 -8.417 1.00 0.00 H new ATOM 347 N VAL A 23 -2.376 4.710 -0.809 1.00 0.00 N ATOM 348 CA VAL A 23 -1.866 4.996 0.561 1.00 0.00 C ATOM 349 C VAL A 23 -0.710 5.998 0.482 1.00 0.00 C ATOM 350 O VAL A 23 -0.176 6.263 -0.576 1.00 0.00 O ATOM 351 CB VAL A 23 -1.390 3.688 1.204 1.00 0.00 C ATOM 352 CG1 VAL A 23 -0.503 3.996 2.412 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.608 2.883 1.664 1.00 0.00 C ATOM 0 H VAL A 23 -1.686 4.784 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.662 5.427 1.169 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.818 3.114 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.168 3.063 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.363 4.574 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.071 4.571 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.276 1.951 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.174 3.464 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.242 2.660 0.806 1.00 0.00 H new ATOM 363 N ALA A 24 -0.323 6.563 1.596 1.00 0.00 N ATOM 364 CA ALA A 24 0.794 7.550 1.585 1.00 0.00 C ATOM 365 C ALA A 24 1.809 7.195 2.679 1.00 0.00 C ATOM 366 O ALA A 24 1.446 6.728 3.736 1.00 0.00 O ATOM 367 CB ALA A 24 0.232 8.950 1.847 1.00 0.00 C ATOM 0 H ALA A 24 -0.733 6.383 2.512 1.00 0.00 H new ATOM 0 HA ALA A 24 1.289 7.527 0.614 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.045 9.676 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.488 9.204 1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.262 8.968 2.819 1.00 0.00 H new ATOM 373 N ILE A 25 3.080 7.416 2.441 1.00 0.00 N ATOM 374 CA ILE A 25 4.103 7.089 3.479 1.00 0.00 C ATOM 375 C ILE A 25 4.796 8.376 3.933 1.00 0.00 C ATOM 376 O ILE A 25 6.004 8.429 4.054 1.00 0.00 O ATOM 377 CB ILE A 25 5.152 6.136 2.897 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.404 6.487 1.429 1.00 0.00 C ATOM 379 CG2 ILE A 25 4.653 4.693 2.996 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.498 5.578 0.869 1.00 0.00 C ATOM 0 H ILE A 25 3.450 7.808 1.575 1.00 0.00 H new ATOM 0 HA ILE A 25 3.610 6.612 4.326 1.00 0.00 H new ATOM 0 HB ILE A 25 6.079 6.237 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.487 6.368 0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.703 7.531 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.403 4.019 2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.477 4.440 4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.723 4.590 2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.678 5.827 -0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.416 5.720 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.181 4.538 0.945 1.00 0.00 H new ATOM 392 N GLY A 26 4.046 9.412 4.187 1.00 0.00 N ATOM 393 CA GLY A 26 4.674 10.689 4.633 1.00 0.00 C ATOM 394 C GLY A 26 4.230 11.831 3.716 1.00 0.00 C ATOM 395 O GLY A 26 3.253 11.721 3.002 1.00 0.00 O ATOM 0 H GLY A 26 3.029 9.431 4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.389 10.905 5.663 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.760 10.597 4.615 1.00 0.00 H new ATOM 399 N GLY A 27 4.938 12.927 3.733 1.00 0.00 N ATOM 400 CA GLY A 27 4.554 14.076 2.865 1.00 0.00 C ATOM 401 C GLY A 27 5.544 14.201 1.705 1.00 0.00 C ATOM 402 O GLY A 27 6.047 15.269 1.418 1.00 0.00 O ATOM 0 H GLY A 27 5.766 13.076 4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.545 13.932 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.544 14.997 3.448 1.00 0.00 H new ATOM 406 N GLY A 28 5.828 13.118 1.035 1.00 0.00 N ATOM 407 CA GLY A 28 6.784 13.173 -0.108 1.00 0.00 C ATOM 408 C GLY A 28 6.569 11.953 -1.003 1.00 0.00 C ATOM 409 O GLY A 28 6.481 12.061 -2.209 1.00 0.00 O ATOM 0 H GLY A 28 5.439 12.196 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.634 14.089 -0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.810 13.192 0.261 1.00 0.00 H new ATOM 413 N LYS A 29 6.476 10.792 -0.416 1.00 0.00 N ATOM 414 CA LYS A 29 6.257 9.560 -1.222 1.00 0.00 C ATOM 415 C LYS A 29 4.963 8.891 -0.759 1.00 0.00 C ATOM 416 O LYS A 29 4.581 8.992 0.391 1.00 0.00 O ATOM 417 CB LYS A 29 7.432 8.604 -1.019 1.00 0.00 C ATOM 418 CG LYS A 29 8.744 9.364 -1.217 1.00 0.00 C ATOM 419 CD LYS A 29 9.023 9.517 -2.714 1.00 0.00 C ATOM 420 CE LYS A 29 10.158 10.521 -2.920 1.00 0.00 C ATOM 421 NZ LYS A 29 10.542 10.547 -4.360 1.00 0.00 N ATOM 0 H LYS A 29 6.543 10.644 0.591 1.00 0.00 H new ATOM 0 HA LYS A 29 6.182 9.815 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.396 8.173 -0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.368 7.776 -1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.684 10.345 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.563 8.829 -0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.293 8.553 -3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.125 9.856 -3.230 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.843 11.514 -2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.017 10.246 -2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.314 11.230 -4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.859 9.600 -4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.721 10.829 -4.933 1.00 0.00 H new ATOM 435 N GLU A 30 4.273 8.217 -1.638 1.00 0.00 N ATOM 436 CA GLU A 30 3.004 7.570 -1.215 1.00 0.00 C ATOM 437 C GLU A 30 3.023 6.074 -1.525 1.00 0.00 C ATOM 438 O GLU A 30 3.677 5.619 -2.443 1.00 0.00 O ATOM 439 CB GLU A 30 1.825 8.223 -1.939 1.00 0.00 C ATOM 440 CG GLU A 30 2.189 8.459 -3.406 1.00 0.00 C ATOM 441 CD GLU A 30 1.099 9.299 -4.073 1.00 0.00 C ATOM 442 OE1 GLU A 30 0.135 9.624 -3.400 1.00 0.00 O ATOM 443 OE2 GLU A 30 1.247 9.602 -5.245 1.00 0.00 O ATOM 0 H GLU A 30 4.530 8.088 -2.617 1.00 0.00 H new ATOM 0 HA GLU A 30 2.897 7.701 -0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.945 7.584 -1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.570 9.169 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.150 8.969 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.296 7.505 -3.923 1.00 0.00 H new ATOM 450 N GLY A 31 2.286 5.312 -0.764 1.00 0.00 N ATOM 451 CA GLY A 31 2.220 3.843 -0.994 1.00 0.00 C ATOM 452 C GLY A 31 0.926 3.531 -1.741 1.00 0.00 C ATOM 453 O GLY A 31 0.182 4.424 -2.096 1.00 0.00 O ATOM 0 H GLY A 31 1.721 5.649 0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.082 3.510 -1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.248 3.309 -0.044 1.00 0.00 H new ATOM 457 N LEU A 32 0.637 2.284 -1.984 1.00 0.00 N ATOM 458 CA LEU A 32 -0.624 1.960 -2.704 1.00 0.00 C ATOM 459 C LEU A 32 -1.157 0.596 -2.281 1.00 0.00 C ATOM 460 O LEU A 32 -0.512 -0.417 -2.463 1.00 0.00 O ATOM 461 CB LEU A 32 -0.385 1.924 -4.206 1.00 0.00 C ATOM 462 CG LEU A 32 -1.738 2.081 -4.892 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.783 3.416 -5.613 1.00 0.00 C ATOM 464 CD2 LEU A 32 -1.963 0.952 -5.892 1.00 0.00 C ATOM 0 H LEU A 32 1.212 1.484 -1.719 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.349 2.735 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.291 2.725 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.085 0.984 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.524 2.041 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.749 3.532 -6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.643 4.223 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.989 3.453 -6.359 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.933 1.079 -6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.178 0.974 -6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.939 -0.005 -5.371 1.00 0.00 H new ATOM 476 N VAL A 33 -2.349 0.556 -1.761 1.00 0.00 N ATOM 477 CA VAL A 33 -2.940 -0.747 -1.378 1.00 0.00 C ATOM 478 C VAL A 33 -3.830 -1.216 -2.530 1.00 0.00 C ATOM 479 O VAL A 33 -5.033 -1.338 -2.393 1.00 0.00 O ATOM 480 CB VAL A 33 -3.788 -0.585 -0.119 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.364 -1.945 0.291 1.00 0.00 C ATOM 482 CG2 VAL A 33 -2.918 -0.034 1.011 1.00 0.00 C ATOM 0 H VAL A 33 -2.937 1.370 -1.586 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.151 -1.472 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.606 0.107 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.969 -1.828 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.984 -2.336 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.549 -2.640 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.522 0.083 1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.099 -0.725 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.512 0.934 0.719 1.00 0.00 H new ATOM 492 N HIS A 34 -3.260 -1.459 -3.677 1.00 0.00 N ATOM 493 CA HIS A 34 -4.096 -1.905 -4.821 1.00 0.00 C ATOM 494 C HIS A 34 -4.970 -3.076 -4.361 1.00 0.00 C ATOM 495 O HIS A 34 -4.651 -3.761 -3.410 1.00 0.00 O ATOM 496 CB HIS A 34 -3.203 -2.355 -5.979 1.00 0.00 C ATOM 497 CG HIS A 34 -3.964 -2.234 -7.271 1.00 0.00 C ATOM 498 ND1 HIS A 34 -3.986 -3.249 -8.215 1.00 0.00 N ATOM 499 CD2 HIS A 34 -4.737 -1.224 -7.789 1.00 0.00 C ATOM 500 CE1 HIS A 34 -4.750 -2.833 -9.241 1.00 0.00 C ATOM 501 NE2 HIS A 34 -5.232 -1.605 -9.033 1.00 0.00 N ATOM 0 H HIS A 34 -2.262 -1.369 -3.869 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.722 -1.081 -5.162 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.301 -1.744 -6.016 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.883 -3.386 -5.827 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.509 -4.148 -8.144 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.931 -0.278 -7.305 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.949 -3.420 -10.125 1.00 0.00 H new ATOM 509 N ILE A 35 -6.067 -3.309 -5.019 1.00 0.00 N ATOM 510 CA ILE A 35 -6.959 -4.430 -4.616 1.00 0.00 C ATOM 511 C ILE A 35 -6.124 -5.691 -4.382 1.00 0.00 C ATOM 512 O ILE A 35 -6.261 -6.360 -3.379 1.00 0.00 O ATOM 513 CB ILE A 35 -7.978 -4.684 -5.727 1.00 0.00 C ATOM 514 CG1 ILE A 35 -8.718 -5.994 -5.445 1.00 0.00 C ATOM 515 CG2 ILE A 35 -7.247 -4.791 -7.066 1.00 0.00 C ATOM 516 CD1 ILE A 35 -10.211 -5.710 -5.284 1.00 0.00 C ATOM 0 H ILE A 35 -6.387 -2.769 -5.823 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.481 -4.172 -3.695 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.693 -3.862 -5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.557 -6.698 -6.261 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.325 -6.459 -4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.970 -4.972 -7.862 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.714 -3.861 -7.265 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.536 -5.616 -7.027 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.739 -6.642 -5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.363 -5.021 -4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.597 -5.264 -6.201 1.00 0.00 H new ATOM 528 N SER A 36 -5.266 -6.023 -5.305 1.00 0.00 N ATOM 529 CA SER A 36 -4.424 -7.244 -5.138 1.00 0.00 C ATOM 530 C SER A 36 -3.214 -6.941 -4.243 1.00 0.00 C ATOM 531 O SER A 36 -2.118 -7.399 -4.501 1.00 0.00 O ATOM 532 CB SER A 36 -3.931 -7.709 -6.508 1.00 0.00 C ATOM 533 OG SER A 36 -2.711 -7.048 -6.817 1.00 0.00 O ATOM 0 H SER A 36 -5.110 -5.503 -6.168 1.00 0.00 H new ATOM 0 HA SER A 36 -5.024 -8.025 -4.671 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.783 -8.789 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.679 -7.491 -7.270 1.00 0.00 H new ATOM 0 HG SER A 36 -1.991 -7.415 -6.263 1.00 0.00 H new ATOM 539 N GLN A 37 -3.390 -6.181 -3.194 1.00 0.00 N ATOM 540 CA GLN A 37 -2.230 -5.873 -2.309 1.00 0.00 C ATOM 541 C GLN A 37 -2.705 -5.686 -0.867 1.00 0.00 C ATOM 542 O GLN A 37 -2.122 -4.939 -0.107 1.00 0.00 O ATOM 543 CB GLN A 37 -1.545 -4.592 -2.786 1.00 0.00 C ATOM 544 CG GLN A 37 -1.194 -4.723 -4.268 1.00 0.00 C ATOM 545 CD GLN A 37 -0.392 -3.500 -4.712 1.00 0.00 C ATOM 546 OE1 GLN A 37 -0.415 -2.475 -4.060 1.00 0.00 O ATOM 547 NE2 GLN A 37 0.322 -3.564 -5.803 1.00 0.00 N ATOM 0 H GLN A 37 -4.278 -5.764 -2.914 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.525 -6.703 -2.350 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.202 -3.736 -2.631 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.643 -4.410 -2.202 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.616 -5.631 -4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.104 -4.810 -4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.341 -4.425 -6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.861 -2.753 -6.108 1.00 0.00 H new ATOM 556 N ILE A 38 -3.754 -6.360 -0.476 1.00 0.00 N ATOM 557 CA ILE A 38 -4.243 -6.210 0.924 1.00 0.00 C ATOM 558 C ILE A 38 -3.856 -7.444 1.737 1.00 0.00 C ATOM 559 O ILE A 38 -2.760 -7.547 2.251 1.00 0.00 O ATOM 560 CB ILE A 38 -5.766 -6.041 0.939 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.129 -4.639 0.441 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.273 -6.214 2.372 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.697 -4.485 -1.018 1.00 0.00 C ATOM 0 H ILE A 38 -4.289 -7.002 -1.060 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.785 -5.324 1.365 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.225 -6.787 0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.203 -4.477 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.639 -3.885 1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.356 -6.095 2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.010 -7.208 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.814 -5.462 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.956 -3.487 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.619 -4.629 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.207 -5.230 -1.629 1.00 0.00 H new ATOM 575 N ALA A 39 -4.754 -8.375 1.862 1.00 0.00 N ATOM 576 CA ALA A 39 -4.457 -9.603 2.646 1.00 0.00 C ATOM 577 C ALA A 39 -4.320 -10.795 1.696 1.00 0.00 C ATOM 578 O ALA A 39 -3.926 -10.651 0.556 1.00 0.00 O ATOM 579 CB ALA A 39 -5.597 -9.858 3.634 1.00 0.00 C ATOM 0 H ALA A 39 -5.688 -8.339 1.453 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.524 -9.472 3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.384 -10.758 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.691 -9.007 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.530 -9.991 3.086 1.00 0.00 H new ATOM 585 N ASP A 40 -4.639 -11.971 2.159 1.00 0.00 N ATOM 586 CA ASP A 40 -4.524 -13.174 1.287 1.00 0.00 C ATOM 587 C ASP A 40 -5.139 -12.884 -0.084 1.00 0.00 C ATOM 588 O ASP A 40 -4.493 -13.017 -1.104 1.00 0.00 O ATOM 589 CB ASP A 40 -5.261 -14.347 1.935 1.00 0.00 C ATOM 590 CG ASP A 40 -4.927 -14.398 3.426 1.00 0.00 C ATOM 591 OD1 ASP A 40 -3.783 -14.145 3.767 1.00 0.00 O ATOM 592 OD2 ASP A 40 -5.822 -14.688 4.204 1.00 0.00 O ATOM 0 H ASP A 40 -4.975 -12.152 3.105 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.471 -13.426 1.163 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.336 -14.236 1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.972 -15.282 1.455 1.00 0.00 H new ATOM 597 N LYS A 41 -6.385 -12.493 -0.116 1.00 0.00 N ATOM 598 CA LYS A 41 -7.042 -12.201 -1.426 1.00 0.00 C ATOM 599 C LYS A 41 -8.558 -11.985 -1.249 1.00 0.00 C ATOM 600 O LYS A 41 -9.242 -11.617 -2.183 1.00 0.00 O ATOM 601 CB LYS A 41 -6.807 -13.384 -2.367 1.00 0.00 C ATOM 602 CG LYS A 41 -7.734 -13.279 -3.581 1.00 0.00 C ATOM 603 CD LYS A 41 -7.222 -14.196 -4.693 1.00 0.00 C ATOM 604 CE LYS A 41 -8.410 -14.770 -5.470 1.00 0.00 C ATOM 605 NZ LYS A 41 -7.980 -15.998 -6.197 1.00 0.00 N ATOM 0 H LYS A 41 -6.976 -12.363 0.705 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.612 -11.289 -1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.767 -13.399 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.989 -14.321 -1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.750 -13.560 -3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.774 -12.248 -3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.569 -13.640 -5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.628 -15.004 -4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.226 -15.006 -4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.789 -14.030 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.786 -16.389 -6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.215 -15.759 -6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.639 -16.704 -5.514 1.00 0.00 H new ATOM 619 N ARG A 42 -9.095 -12.221 -0.078 1.00 0.00 N ATOM 620 CA ARG A 42 -10.562 -12.034 0.125 1.00 0.00 C ATOM 621 C ARG A 42 -10.891 -10.551 0.352 1.00 0.00 C ATOM 622 O ARG A 42 -11.709 -10.217 1.186 1.00 0.00 O ATOM 623 CB ARG A 42 -11.005 -12.838 1.351 1.00 0.00 C ATOM 624 CG ARG A 42 -11.838 -14.043 0.909 1.00 0.00 C ATOM 625 CD ARG A 42 -12.318 -14.808 2.146 1.00 0.00 C ATOM 626 NE ARG A 42 -11.463 -16.012 2.351 1.00 0.00 N ATOM 627 CZ ARG A 42 -10.472 -15.973 3.200 1.00 0.00 C ATOM 628 NH1 ARG A 42 -10.701 -15.739 4.463 1.00 0.00 N ATOM 629 NH2 ARG A 42 -9.250 -16.168 2.785 1.00 0.00 N ATOM 0 H ARG A 42 -8.580 -12.535 0.745 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.087 -12.380 -0.765 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.133 -13.174 1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.590 -12.206 2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.692 -13.712 0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.243 -14.697 0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.274 -14.164 3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.359 -15.106 2.021 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.652 -16.867 1.828 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.656 -15.586 4.788 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.925 -15.709 5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.070 -16.351 1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.475 -16.138 3.448 1.00 0.00 H new ATOM 643 N VAL A 43 -10.279 -9.656 -0.381 1.00 0.00 N ATOM 644 CA VAL A 43 -10.589 -8.211 -0.188 1.00 0.00 C ATOM 645 C VAL A 43 -11.438 -7.712 -1.356 1.00 0.00 C ATOM 646 O VAL A 43 -11.170 -6.674 -1.928 1.00 0.00 O ATOM 647 CB VAL A 43 -9.297 -7.395 -0.115 1.00 0.00 C ATOM 648 CG1 VAL A 43 -9.639 -5.910 0.026 1.00 0.00 C ATOM 649 CG2 VAL A 43 -8.482 -7.842 1.095 1.00 0.00 C ATOM 0 H VAL A 43 -9.584 -9.863 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.137 -8.090 0.746 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.717 -7.551 -1.025 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.719 -5.328 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.224 -5.588 -0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.218 -5.755 0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.561 -7.261 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.063 -7.684 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.239 -8.900 0.999 1.00 0.00 H new ATOM 659 N GLU A 44 -12.465 -8.438 -1.711 1.00 0.00 N ATOM 660 CA GLU A 44 -13.331 -7.992 -2.837 1.00 0.00 C ATOM 661 C GLU A 44 -13.624 -6.505 -2.662 1.00 0.00 C ATOM 662 O GLU A 44 -13.854 -5.784 -3.613 1.00 0.00 O ATOM 663 CB GLU A 44 -14.643 -8.779 -2.818 1.00 0.00 C ATOM 664 CG GLU A 44 -14.805 -9.529 -4.141 1.00 0.00 C ATOM 665 CD GLU A 44 -13.584 -10.418 -4.379 1.00 0.00 C ATOM 666 OE1 GLU A 44 -12.953 -10.799 -3.406 1.00 0.00 O ATOM 667 OE2 GLU A 44 -13.298 -10.703 -5.530 1.00 0.00 O ATOM 0 H GLU A 44 -12.739 -9.316 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.827 -8.165 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -14.646 -9.483 -1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -15.484 -8.102 -2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.710 -10.136 -4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -14.917 -8.820 -4.961 1.00 0.00 H new ATOM 674 N LYS A 45 -13.602 -6.040 -1.445 1.00 0.00 N ATOM 675 CA LYS A 45 -13.860 -4.599 -1.189 1.00 0.00 C ATOM 676 C LYS A 45 -12.592 -3.969 -0.613 1.00 0.00 C ATOM 677 O LYS A 45 -12.174 -4.286 0.483 1.00 0.00 O ATOM 678 CB LYS A 45 -15.008 -4.454 -0.187 1.00 0.00 C ATOM 679 CG LYS A 45 -16.255 -3.945 -0.912 1.00 0.00 C ATOM 680 CD LYS A 45 -16.625 -4.916 -2.035 1.00 0.00 C ATOM 681 CE LYS A 45 -16.944 -4.126 -3.306 1.00 0.00 C ATOM 682 NZ LYS A 45 -18.175 -3.314 -3.088 1.00 0.00 N ATOM 0 H LYS A 45 -13.415 -6.600 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.134 -4.099 -2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.216 -5.414 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.727 -3.761 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -17.084 -3.851 -0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.070 -2.952 -1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.802 -5.606 -2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.486 -5.517 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.107 -3.476 -3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.088 -4.807 -4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.490 -2.911 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.926 -3.919 -2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.969 -2.544 -2.419 1.00 0.00 H new ATOM 696 N VAL A 46 -11.977 -3.082 -1.341 1.00 0.00 N ATOM 697 CA VAL A 46 -10.732 -2.436 -0.824 1.00 0.00 C ATOM 698 C VAL A 46 -11.118 -1.440 0.266 1.00 0.00 C ATOM 699 O VAL A 46 -10.342 -1.134 1.152 1.00 0.00 O ATOM 700 CB VAL A 46 -9.969 -1.701 -1.942 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.573 -2.311 -2.089 1.00 0.00 C ATOM 702 CG2 VAL A 46 -10.707 -1.815 -3.277 1.00 0.00 C ATOM 0 H VAL A 46 -12.277 -2.775 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.076 -3.211 -0.427 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.896 -0.647 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.031 -1.793 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.030 -2.208 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.662 -3.367 -2.343 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.147 -1.287 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.802 -2.866 -3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.699 -1.373 -3.183 1.00 0.00 H new ATOM 712 N THR A 47 -12.323 -0.944 0.215 1.00 0.00 N ATOM 713 CA THR A 47 -12.782 0.022 1.251 1.00 0.00 C ATOM 714 C THR A 47 -13.139 -0.738 2.534 1.00 0.00 C ATOM 715 O THR A 47 -13.625 -0.165 3.489 1.00 0.00 O ATOM 716 CB THR A 47 -14.018 0.770 0.740 1.00 0.00 C ATOM 717 OG1 THR A 47 -15.027 -0.170 0.395 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.644 1.595 -0.492 1.00 0.00 C ATOM 0 H THR A 47 -13.012 -1.167 -0.503 1.00 0.00 H new ATOM 0 HA THR A 47 -11.986 0.737 1.461 1.00 0.00 H new ATOM 0 HB THR A 47 -14.390 1.435 1.519 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.820 0.306 0.069 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.524 2.127 -0.855 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.869 2.314 -0.227 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.272 0.933 -1.274 1.00 0.00 H new ATOM 726 N ASP A 48 -12.889 -2.020 2.567 1.00 0.00 N ATOM 727 CA ASP A 48 -13.197 -2.815 3.789 1.00 0.00 C ATOM 728 C ASP A 48 -11.897 -3.034 4.550 1.00 0.00 C ATOM 729 O ASP A 48 -11.870 -3.091 5.764 1.00 0.00 O ATOM 730 CB ASP A 48 -13.789 -4.172 3.391 1.00 0.00 C ATOM 731 CG ASP A 48 -15.214 -3.975 2.869 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.542 -2.857 2.508 1.00 0.00 O ATOM 733 OD2 ASP A 48 -15.952 -4.946 2.840 1.00 0.00 O ATOM 0 H ASP A 48 -12.483 -2.552 1.797 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.919 -2.285 4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.171 -4.639 2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.795 -4.844 4.249 1.00 0.00 H new ATOM 738 N TYR A 49 -10.814 -3.146 3.836 1.00 0.00 N ATOM 739 CA TYR A 49 -9.503 -3.350 4.496 1.00 0.00 C ATOM 740 C TYR A 49 -8.870 -1.987 4.771 1.00 0.00 C ATOM 741 O TYR A 49 -8.222 -1.784 5.779 1.00 0.00 O ATOM 742 CB TYR A 49 -8.600 -4.169 3.577 1.00 0.00 C ATOM 743 CG TYR A 49 -9.144 -5.575 3.502 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.365 -5.812 2.864 1.00 0.00 C ATOM 745 CD2 TYR A 49 -8.442 -6.635 4.090 1.00 0.00 C ATOM 746 CE1 TYR A 49 -10.889 -7.106 2.814 1.00 0.00 C ATOM 747 CE2 TYR A 49 -8.962 -7.931 4.033 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.187 -8.168 3.397 1.00 0.00 C ATOM 749 OH TYR A 49 -10.705 -9.446 3.349 1.00 0.00 O ATOM 0 H TYR A 49 -10.784 -3.104 2.817 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.634 -3.885 5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.566 -3.722 2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.579 -4.177 3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.904 -4.994 2.409 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.501 -6.451 4.586 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.835 -7.287 2.326 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.419 -8.750 4.480 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.219 -9.560 2.522 1.00 0.00 H new ATOM 759 N LEU A 50 -9.057 -1.046 3.883 1.00 0.00 N ATOM 760 CA LEU A 50 -8.466 0.306 4.102 1.00 0.00 C ATOM 761 C LEU A 50 -9.531 1.282 4.601 1.00 0.00 C ATOM 762 O LEU A 50 -10.714 1.090 4.402 1.00 0.00 O ATOM 763 CB LEU A 50 -7.887 0.825 2.793 1.00 0.00 C ATOM 764 CG LEU A 50 -6.367 0.779 2.886 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.846 -0.344 1.999 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.792 2.115 2.424 1.00 0.00 C ATOM 0 H LEU A 50 -9.590 -1.154 3.020 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.680 0.225 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.234 0.217 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.225 1.845 2.607 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.063 0.596 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.758 -0.382 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.262 -1.294 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.144 -0.160 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.704 2.085 2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.088 2.301 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.172 2.914 3.060 1.00 0.00 H new ATOM 778 N GLN A 51 -9.107 2.336 5.242 1.00 0.00 N ATOM 779 CA GLN A 51 -10.068 3.350 5.757 1.00 0.00 C ATOM 780 C GLN A 51 -9.386 4.720 5.744 1.00 0.00 C ATOM 781 O GLN A 51 -8.301 4.886 6.260 1.00 0.00 O ATOM 782 CB GLN A 51 -10.477 2.995 7.188 1.00 0.00 C ATOM 783 CG GLN A 51 -11.376 4.098 7.750 1.00 0.00 C ATOM 784 CD GLN A 51 -12.842 3.756 7.472 1.00 0.00 C ATOM 785 OE1 GLN A 51 -13.384 2.841 8.058 1.00 0.00 O ATOM 786 NE2 GLN A 51 -13.509 4.458 6.597 1.00 0.00 N ATOM 0 H GLN A 51 -8.126 2.539 5.432 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.959 3.369 5.129 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.003 2.040 7.201 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.591 2.879 7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.213 4.202 8.823 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.123 5.055 7.294 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.053 5.226 6.105 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -14.486 4.238 6.405 1.00 0.00 H new ATOM 795 N MET A 52 -10.005 5.699 5.148 1.00 0.00 N ATOM 796 CA MET A 52 -9.382 7.053 5.094 1.00 0.00 C ATOM 797 C MET A 52 -9.144 7.583 6.513 1.00 0.00 C ATOM 798 O MET A 52 -10.073 7.892 7.233 1.00 0.00 O ATOM 799 CB MET A 52 -10.313 8.009 4.345 1.00 0.00 C ATOM 800 CG MET A 52 -9.928 8.044 2.864 1.00 0.00 C ATOM 801 SD MET A 52 -10.634 9.521 2.092 1.00 0.00 S ATOM 802 CE MET A 52 -11.161 8.741 0.547 1.00 0.00 C ATOM 0 H MET A 52 -10.916 5.622 4.695 1.00 0.00 H new ATOM 0 HA MET A 52 -8.426 6.984 4.576 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.348 7.685 4.455 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.245 9.009 4.773 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.843 8.049 2.759 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.292 7.148 2.361 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.633 9.486 -0.094 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.294 8.321 0.037 1.00 0.00 H new ATOM 0 HE3 MET A 52 -11.874 7.946 0.765 1.00 0.00 H new ATOM 812 N GLY A 53 -7.905 7.705 6.915 1.00 0.00 N ATOM 813 CA GLY A 53 -7.615 8.231 8.282 1.00 0.00 C ATOM 814 C GLY A 53 -6.823 7.201 9.093 1.00 0.00 C ATOM 815 O GLY A 53 -6.111 7.542 10.016 1.00 0.00 O ATOM 0 H GLY A 53 -7.085 7.464 6.358 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.048 9.159 8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.548 8.467 8.794 1.00 0.00 H new ATOM 819 N GLN A 54 -6.948 5.945 8.768 1.00 0.00 N ATOM 820 CA GLN A 54 -6.209 4.899 9.533 1.00 0.00 C ATOM 821 C GLN A 54 -4.725 4.909 9.151 1.00 0.00 C ATOM 822 O GLN A 54 -4.296 5.654 8.291 1.00 0.00 O ATOM 823 CB GLN A 54 -6.805 3.526 9.217 1.00 0.00 C ATOM 824 CG GLN A 54 -7.982 3.251 10.154 1.00 0.00 C ATOM 825 CD GLN A 54 -8.061 1.752 10.449 1.00 0.00 C ATOM 826 OE1 GLN A 54 -7.251 1.223 11.183 1.00 0.00 O ATOM 827 NE2 GLN A 54 -9.009 1.041 9.902 1.00 0.00 N ATOM 0 H GLN A 54 -7.529 5.596 8.006 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.301 5.108 10.599 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.137 3.492 8.179 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.046 2.753 9.334 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.859 3.809 11.082 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.911 3.592 9.697 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.689 1.486 9.286 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.070 0.041 10.091 1.00 0.00 H new ATOM 836 N GLU A 55 -3.942 4.081 9.788 1.00 0.00 N ATOM 837 CA GLU A 55 -2.483 4.018 9.478 1.00 0.00 C ATOM 838 C GLU A 55 -2.046 2.553 9.478 1.00 0.00 C ATOM 839 O GLU A 55 -2.282 1.830 10.425 1.00 0.00 O ATOM 840 CB GLU A 55 -1.701 4.780 10.550 1.00 0.00 C ATOM 841 CG GLU A 55 -1.132 6.069 9.951 1.00 0.00 C ATOM 842 CD GLU A 55 -1.212 7.191 10.988 1.00 0.00 C ATOM 843 OE1 GLU A 55 -2.233 7.287 11.649 1.00 0.00 O ATOM 844 OE2 GLU A 55 -0.252 7.935 11.103 1.00 0.00 O ATOM 0 H GLU A 55 -4.253 3.439 10.517 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.289 4.467 8.504 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.352 5.015 11.392 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.893 4.159 10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.097 5.915 9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.691 6.345 9.057 1.00 0.00 H new ATOM 851 N VAL A 56 -1.424 2.098 8.425 1.00 0.00 N ATOM 852 CA VAL A 56 -1.000 0.671 8.389 1.00 0.00 C ATOM 853 C VAL A 56 0.410 0.544 7.796 1.00 0.00 C ATOM 854 O VAL A 56 0.780 1.283 6.900 1.00 0.00 O ATOM 855 CB VAL A 56 -1.985 -0.126 7.535 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.327 -0.220 8.262 1.00 0.00 C ATOM 857 CG2 VAL A 56 -2.180 0.580 6.192 1.00 0.00 C ATOM 0 H VAL A 56 -1.193 2.646 7.596 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.988 0.280 9.406 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.593 -1.129 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.031 -0.788 7.654 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.188 -0.721 9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.720 0.782 8.431 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.882 0.013 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.574 1.582 6.362 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.223 0.649 5.675 1.00 0.00 H new ATOM 867 N PRO A 57 1.154 -0.404 8.319 1.00 0.00 N ATOM 868 CA PRO A 57 2.528 -0.683 7.870 1.00 0.00 C ATOM 869 C PRO A 57 2.504 -1.554 6.613 1.00 0.00 C ATOM 870 O PRO A 57 1.580 -2.310 6.392 1.00 0.00 O ATOM 871 CB PRO A 57 3.136 -1.458 9.042 1.00 0.00 C ATOM 872 CG PRO A 57 1.949 -2.075 9.819 1.00 0.00 C ATOM 873 CD PRO A 57 0.693 -1.280 9.415 1.00 0.00 C ATOM 0 HA PRO A 57 3.089 0.217 7.617 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.812 -2.235 8.685 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.719 -0.798 9.684 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.834 -3.131 9.574 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.117 -2.013 10.894 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.108 -1.942 9.085 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.303 -0.700 10.251 1.00 0.00 H new ATOM 881 N VAL A 58 3.512 -1.465 5.792 1.00 0.00 N ATOM 882 CA VAL A 58 3.539 -2.303 4.560 1.00 0.00 C ATOM 883 C VAL A 58 4.982 -2.727 4.266 1.00 0.00 C ATOM 884 O VAL A 58 5.868 -2.560 5.080 1.00 0.00 O ATOM 885 CB VAL A 58 2.953 -1.510 3.375 1.00 0.00 C ATOM 886 CG1 VAL A 58 1.918 -0.508 3.892 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.061 -0.749 2.635 1.00 0.00 C ATOM 0 H VAL A 58 4.316 -0.851 5.919 1.00 0.00 H new ATOM 0 HA VAL A 58 2.932 -3.196 4.709 1.00 0.00 H new ATOM 0 HB VAL A 58 2.483 -2.212 2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.504 0.053 3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.117 -1.043 4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.395 0.181 4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.628 -0.195 1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.545 -0.053 3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.798 -1.457 2.256 1.00 0.00 H new ATOM 897 N LYS A 59 5.220 -3.275 3.109 1.00 0.00 N ATOM 898 CA LYS A 59 6.601 -3.710 2.761 1.00 0.00 C ATOM 899 C LYS A 59 6.939 -3.236 1.346 1.00 0.00 C ATOM 900 O LYS A 59 6.133 -3.334 0.442 1.00 0.00 O ATOM 901 CB LYS A 59 6.686 -5.239 2.817 1.00 0.00 C ATOM 902 CG LYS A 59 5.815 -5.761 3.963 1.00 0.00 C ATOM 903 CD LYS A 59 5.603 -7.268 3.799 1.00 0.00 C ATOM 904 CE LYS A 59 5.980 -7.983 5.097 1.00 0.00 C ATOM 905 NZ LYS A 59 5.780 -9.449 4.932 1.00 0.00 N ATOM 0 H LYS A 59 4.518 -3.441 2.388 1.00 0.00 H new ATOM 0 HA LYS A 59 7.307 -3.280 3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.354 -5.666 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.720 -5.551 2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 59 6.292 -5.552 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.854 -5.246 3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.563 -7.474 3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.210 -7.643 2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.019 -7.773 5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.369 -7.612 5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.036 -9.936 5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.783 -9.640 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.381 -9.796 4.158 1.00 0.00 H new ATOM 919 N VAL A 60 8.124 -2.726 1.147 1.00 0.00 N ATOM 920 CA VAL A 60 8.518 -2.252 -0.211 1.00 0.00 C ATOM 921 C VAL A 60 8.577 -3.447 -1.157 1.00 0.00 C ATOM 922 O VAL A 60 9.612 -4.053 -1.351 1.00 0.00 O ATOM 923 CB VAL A 60 9.890 -1.577 -0.132 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.331 -1.139 -1.527 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.796 -0.351 0.780 1.00 0.00 C ATOM 0 H VAL A 60 8.838 -2.617 1.867 1.00 0.00 H new ATOM 0 HA VAL A 60 7.788 -1.533 -0.583 1.00 0.00 H new ATOM 0 HB VAL A 60 10.618 -2.281 0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.308 -0.659 -1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.395 -2.010 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.605 -0.434 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.771 0.134 0.840 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.067 0.350 0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.484 -0.662 1.777 1.00 0.00 H new ATOM 935 N LEU A 61 7.466 -3.792 -1.746 1.00 0.00 N ATOM 936 CA LEU A 61 7.443 -4.945 -2.676 1.00 0.00 C ATOM 937 C LEU A 61 8.472 -4.725 -3.782 1.00 0.00 C ATOM 938 O LEU A 61 9.073 -5.658 -4.275 1.00 0.00 O ATOM 939 CB LEU A 61 6.048 -5.076 -3.293 1.00 0.00 C ATOM 940 CG LEU A 61 5.879 -6.477 -3.881 1.00 0.00 C ATOM 941 CD1 LEU A 61 5.329 -7.422 -2.810 1.00 0.00 C ATOM 942 CD2 LEU A 61 4.903 -6.419 -5.057 1.00 0.00 C ATOM 0 H LEU A 61 6.571 -3.320 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 61 7.685 -5.858 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.285 -4.894 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.911 -4.325 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 61 6.846 -6.844 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.210 -8.420 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.023 -7.464 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.362 -7.056 -2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.781 -7.417 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.937 -6.051 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.294 -5.748 -5.822 1.00 0.00 H new ATOM 954 N GLU A 62 8.682 -3.494 -4.173 1.00 0.00 N ATOM 955 CA GLU A 62 9.677 -3.217 -5.253 1.00 0.00 C ATOM 956 C GLU A 62 9.530 -1.777 -5.747 1.00 0.00 C ATOM 957 O GLU A 62 8.490 -1.159 -5.611 1.00 0.00 O ATOM 958 CB GLU A 62 9.439 -4.164 -6.433 1.00 0.00 C ATOM 959 CG GLU A 62 10.756 -4.843 -6.820 1.00 0.00 C ATOM 960 CD GLU A 62 10.956 -6.097 -5.969 1.00 0.00 C ATOM 961 OE1 GLU A 62 10.250 -7.065 -6.200 1.00 0.00 O ATOM 962 OE2 GLU A 62 11.813 -6.070 -5.101 1.00 0.00 O ATOM 0 H GLU A 62 8.211 -2.673 -3.794 1.00 0.00 H new ATOM 0 HA GLU A 62 10.678 -3.367 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.696 -4.915 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.040 -3.610 -7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.744 -5.107 -7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.588 -4.155 -6.673 1.00 0.00 H new ATOM 969 N VAL A 63 10.566 -1.246 -6.337 1.00 0.00 N ATOM 970 CA VAL A 63 10.504 0.144 -6.865 1.00 0.00 C ATOM 971 C VAL A 63 11.436 0.266 -8.072 1.00 0.00 C ATOM 972 O VAL A 63 11.041 0.709 -9.132 1.00 0.00 O ATOM 973 CB VAL A 63 10.945 1.127 -5.784 1.00 0.00 C ATOM 974 CG1 VAL A 63 11.165 2.506 -6.411 1.00 0.00 C ATOM 975 CG2 VAL A 63 9.858 1.218 -4.714 1.00 0.00 C ATOM 0 H VAL A 63 11.458 -1.720 -6.476 1.00 0.00 H new ATOM 0 HA VAL A 63 9.481 0.373 -7.163 1.00 0.00 H new ATOM 0 HB VAL A 63 11.875 0.784 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.480 3.210 -5.641 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.937 2.438 -7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.235 2.853 -6.861 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.168 1.919 -3.939 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.930 1.565 -5.167 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.700 0.235 -4.271 1.00 0.00 H new ATOM 985 N ASP A 64 12.673 -0.123 -7.918 1.00 0.00 N ATOM 986 CA ASP A 64 13.630 -0.028 -9.056 1.00 0.00 C ATOM 987 C ASP A 64 12.954 -0.536 -10.329 1.00 0.00 C ATOM 988 O ASP A 64 12.956 0.125 -11.350 1.00 0.00 O ATOM 989 CB ASP A 64 14.868 -0.879 -8.758 1.00 0.00 C ATOM 990 CG ASP A 64 14.445 -2.171 -8.057 1.00 0.00 C ATOM 991 OD1 ASP A 64 14.136 -3.125 -8.752 1.00 0.00 O ATOM 992 OD2 ASP A 64 14.439 -2.186 -6.837 1.00 0.00 O ATOM 0 H ASP A 64 13.061 -0.502 -7.054 1.00 0.00 H new ATOM 0 HA ASP A 64 13.931 1.011 -9.193 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.394 -1.111 -9.684 1.00 0.00 H new ATOM 0 HB3 ASP A 64 15.562 -0.322 -8.128 1.00 0.00 H new ATOM 997 N ARG A 65 12.368 -1.700 -10.278 1.00 0.00 N ATOM 998 CA ARG A 65 11.685 -2.243 -11.484 1.00 0.00 C ATOM 999 C ARG A 65 10.453 -1.388 -11.783 1.00 0.00 C ATOM 1000 O ARG A 65 10.124 -1.131 -12.924 1.00 0.00 O ATOM 1001 CB ARG A 65 11.256 -3.688 -11.219 1.00 0.00 C ATOM 1002 CG ARG A 65 12.230 -4.648 -11.909 1.00 0.00 C ATOM 1003 CD ARG A 65 11.649 -5.083 -13.257 1.00 0.00 C ATOM 1004 NE ARG A 65 12.758 -5.436 -14.188 1.00 0.00 N ATOM 1005 CZ ARG A 65 13.474 -6.506 -13.976 1.00 0.00 C ATOM 1006 NH1 ARG A 65 13.058 -7.666 -14.408 1.00 0.00 N ATOM 1007 NH2 ARG A 65 14.606 -6.418 -13.333 1.00 0.00 N ATOM 0 H ARG A 65 12.333 -2.298 -9.453 1.00 0.00 H new ATOM 0 HA ARG A 65 12.364 -2.221 -12.337 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.237 -3.882 -10.146 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.244 -3.851 -11.590 1.00 0.00 H new ATOM 0 HG2 ARG A 65 13.194 -4.161 -12.057 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.406 -5.520 -11.279 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.989 -5.939 -13.121 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.046 -4.280 -13.681 1.00 0.00 H new ATOM 0 HE ARG A 65 12.957 -4.841 -14.992 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.173 -7.736 -14.911 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.618 -8.503 -14.242 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.932 -5.512 -12.996 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.165 -7.255 -13.168 1.00 0.00 H new ATOM 1021 N GLN A 66 9.776 -0.941 -10.762 1.00 0.00 N ATOM 1022 CA GLN A 66 8.569 -0.094 -10.972 1.00 0.00 C ATOM 1023 C GLN A 66 8.698 1.178 -10.131 1.00 0.00 C ATOM 1024 O GLN A 66 8.679 1.135 -8.918 1.00 0.00 O ATOM 1025 CB GLN A 66 7.317 -0.868 -10.547 1.00 0.00 C ATOM 1026 CG GLN A 66 7.566 -1.548 -9.200 1.00 0.00 C ATOM 1027 CD GLN A 66 8.072 -2.973 -9.431 1.00 0.00 C ATOM 1028 OE1 GLN A 66 9.238 -3.180 -9.706 1.00 0.00 O ATOM 1029 NE2 GLN A 66 7.239 -3.972 -9.330 1.00 0.00 N ATOM 0 H GLN A 66 10.008 -1.127 -9.786 1.00 0.00 H new ATOM 0 HA GLN A 66 8.485 0.170 -12.026 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.466 -0.190 -10.472 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.065 -1.614 -11.301 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.297 -0.980 -8.624 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.646 -1.568 -8.616 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.261 -3.799 -9.099 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.566 -4.926 -9.482 1.00 0.00 H new ATOM 1038 N GLY A 67 8.837 2.308 -10.765 1.00 0.00 N ATOM 1039 CA GLY A 67 8.979 3.582 -10.004 1.00 0.00 C ATOM 1040 C GLY A 67 7.632 4.006 -9.412 1.00 0.00 C ATOM 1041 O GLY A 67 7.511 5.068 -8.834 1.00 0.00 O ATOM 0 H GLY A 67 8.859 2.406 -11.780 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.710 3.456 -9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.357 4.365 -10.661 1.00 0.00 H new ATOM 1045 N ARG A 68 6.614 3.196 -9.542 1.00 0.00 N ATOM 1046 CA ARG A 68 5.293 3.579 -8.975 1.00 0.00 C ATOM 1047 C ARG A 68 5.191 3.077 -7.536 1.00 0.00 C ATOM 1048 O ARG A 68 4.152 2.632 -7.093 1.00 0.00 O ATOM 1049 CB ARG A 68 4.171 2.967 -9.819 1.00 0.00 C ATOM 1050 CG ARG A 68 4.519 3.092 -11.303 1.00 0.00 C ATOM 1051 CD ARG A 68 3.234 3.261 -12.118 1.00 0.00 C ATOM 1052 NE ARG A 68 3.399 2.609 -13.449 1.00 0.00 N ATOM 1053 CZ ARG A 68 2.435 2.666 -14.329 1.00 0.00 C ATOM 1054 NH1 ARG A 68 1.192 2.591 -13.942 1.00 0.00 N ATOM 1055 NH2 ARG A 68 2.716 2.795 -15.597 1.00 0.00 N ATOM 0 H ARG A 68 6.642 2.292 -10.014 1.00 0.00 H new ATOM 0 HA ARG A 68 5.195 4.665 -8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.034 1.919 -9.554 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.229 3.474 -9.612 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.178 3.946 -11.462 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.059 2.206 -11.636 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.392 2.817 -11.586 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.008 4.320 -12.245 1.00 0.00 H new ATOM 0 HE ARG A 68 4.265 2.118 -13.672 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.972 2.488 -12.951 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.440 2.636 -14.630 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.688 2.851 -15.901 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.964 2.839 -16.284 1.00 0.00 H new ATOM 1069 N ILE A 69 6.269 3.166 -6.807 1.00 0.00 N ATOM 1070 CA ILE A 69 6.275 2.715 -5.382 1.00 0.00 C ATOM 1071 C ILE A 69 5.406 1.462 -5.213 1.00 0.00 C ATOM 1072 O ILE A 69 4.205 1.547 -5.044 1.00 0.00 O ATOM 1073 CB ILE A 69 5.734 3.841 -4.499 1.00 0.00 C ATOM 1074 CG1 ILE A 69 6.787 4.946 -4.392 1.00 0.00 C ATOM 1075 CG2 ILE A 69 5.422 3.299 -3.102 1.00 0.00 C ATOM 1076 CD1 ILE A 69 6.170 6.178 -3.731 1.00 0.00 C ATOM 0 H ILE A 69 7.159 3.537 -7.141 1.00 0.00 H new ATOM 0 HA ILE A 69 7.296 2.471 -5.088 1.00 0.00 H new ATOM 0 HB ILE A 69 4.822 4.242 -4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.639 4.596 -3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.163 5.202 -5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.037 4.105 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.675 2.509 -3.177 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.332 2.897 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.921 6.965 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.333 6.532 -4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.816 5.917 -2.734 1.00 0.00 H new ATOM 1088 N ARG A 70 6.003 0.300 -5.251 1.00 0.00 N ATOM 1089 CA ARG A 70 5.205 -0.947 -5.087 1.00 0.00 C ATOM 1090 C ARG A 70 5.130 -1.318 -3.604 1.00 0.00 C ATOM 1091 O ARG A 70 5.868 -2.155 -3.125 1.00 0.00 O ATOM 1092 CB ARG A 70 5.870 -2.086 -5.861 1.00 0.00 C ATOM 1093 CG ARG A 70 4.802 -3.082 -6.315 1.00 0.00 C ATOM 1094 CD ARG A 70 4.075 -2.523 -7.540 1.00 0.00 C ATOM 1095 NE ARG A 70 2.895 -3.378 -7.850 1.00 0.00 N ATOM 1096 CZ ARG A 70 2.060 -3.022 -8.789 1.00 0.00 C ATOM 1097 NH1 ARG A 70 1.138 -2.133 -8.539 1.00 0.00 N ATOM 1098 NH2 ARG A 70 2.148 -3.555 -9.976 1.00 0.00 N ATOM 0 H ARG A 70 7.004 0.162 -5.388 1.00 0.00 H new ATOM 0 HA ARG A 70 4.199 -0.783 -5.472 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.405 -1.690 -6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.606 -2.587 -5.232 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.262 -4.040 -6.557 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.092 -3.264 -5.508 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.755 -1.498 -7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.751 -2.493 -8.395 1.00 0.00 H new ATOM 0 HE ARG A 70 2.739 -4.241 -7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.070 -1.716 -7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.486 -1.855 -9.272 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.869 -4.250 -10.171 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.496 -3.277 -10.709 1.00 0.00 H new ATOM 1112 N LEU A 71 4.241 -0.702 -2.873 1.00 0.00 N ATOM 1113 CA LEU A 71 4.122 -1.025 -1.424 1.00 0.00 C ATOM 1114 C LEU A 71 3.075 -2.124 -1.236 1.00 0.00 C ATOM 1115 O LEU A 71 2.080 -2.171 -1.932 1.00 0.00 O ATOM 1116 CB LEU A 71 3.700 0.227 -0.654 1.00 0.00 C ATOM 1117 CG LEU A 71 4.913 1.142 -0.478 1.00 0.00 C ATOM 1118 CD1 LEU A 71 4.531 2.343 0.388 1.00 0.00 C ATOM 1119 CD2 LEU A 71 6.041 0.362 0.202 1.00 0.00 C ATOM 0 H LEU A 71 3.594 0.008 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 71 5.084 -1.371 -1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.910 0.750 -1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.294 -0.050 0.319 1.00 0.00 H new ATOM 0 HG LEU A 71 5.247 1.493 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.397 2.993 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.727 2.898 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.196 1.995 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.907 1.011 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.704 0.011 1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.316 -0.493 -0.416 1.00 0.00 H new ATOM 1131 N SER A 72 3.294 -3.012 -0.307 1.00 0.00 N ATOM 1132 CA SER A 72 2.312 -4.110 -0.083 1.00 0.00 C ATOM 1133 C SER A 72 1.883 -4.128 1.385 1.00 0.00 C ATOM 1134 O SER A 72 2.684 -4.356 2.269 1.00 0.00 O ATOM 1135 CB SER A 72 2.966 -5.446 -0.434 1.00 0.00 C ATOM 1136 OG SER A 72 2.759 -5.721 -1.814 1.00 0.00 O ATOM 0 H SER A 72 4.109 -3.025 0.306 1.00 0.00 H new ATOM 0 HA SER A 72 1.437 -3.948 -0.712 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.033 -5.411 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.541 -6.244 0.176 1.00 0.00 H new ATOM 0 HG SER A 72 2.265 -6.562 -1.909 1.00 0.00 H new ATOM 1142 N ILE A 73 0.627 -3.898 1.652 1.00 0.00 N ATOM 1143 CA ILE A 73 0.155 -3.911 3.065 1.00 0.00 C ATOM 1144 C ILE A 73 0.768 -5.124 3.780 1.00 0.00 C ATOM 1145 O ILE A 73 0.824 -6.211 3.243 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.391 -3.961 3.083 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.919 -2.729 3.823 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -1.909 -5.228 3.780 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.445 -2.793 3.901 1.00 0.00 C ATOM 0 H ILE A 73 -0.091 -3.702 0.955 1.00 0.00 H new ATOM 0 HA ILE A 73 0.470 -3.008 3.588 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.745 -3.975 2.052 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.495 -2.685 4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.609 -1.821 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.999 -5.227 3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.543 -6.109 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.553 -5.248 4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.820 -1.915 4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.860 -2.816 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.744 -3.693 4.437 1.00 0.00 H new ATOM 1161 N LYS A 74 1.233 -4.941 4.985 1.00 0.00 N ATOM 1162 CA LYS A 74 1.845 -6.077 5.727 1.00 0.00 C ATOM 1163 C LYS A 74 0.927 -7.298 5.641 1.00 0.00 C ATOM 1164 O LYS A 74 -0.192 -7.215 5.177 1.00 0.00 O ATOM 1165 CB LYS A 74 2.038 -5.683 7.192 1.00 0.00 C ATOM 1166 CG LYS A 74 3.446 -5.116 7.384 1.00 0.00 C ATOM 1167 CD LYS A 74 4.425 -6.257 7.673 1.00 0.00 C ATOM 1168 CE LYS A 74 4.658 -6.359 9.182 1.00 0.00 C ATOM 1169 NZ LYS A 74 4.287 -7.724 9.652 1.00 0.00 N ATOM 0 H LYS A 74 1.215 -4.053 5.487 1.00 0.00 H new ATOM 0 HA LYS A 74 2.812 -6.320 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.293 -4.942 7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.892 -6.551 7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.756 -4.575 6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.452 -4.401 8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.027 -7.197 7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.370 -6.079 7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.703 -6.155 9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.063 -5.609 9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.445 -7.793 10.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.284 -7.902 9.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.873 -8.431 9.163 1.00 0.00 H new ATOM 1183 N GLU A 75 1.394 -8.434 6.084 1.00 0.00 N ATOM 1184 CA GLU A 75 0.550 -9.662 6.028 1.00 0.00 C ATOM 1185 C GLU A 75 -0.094 -9.776 4.643 1.00 0.00 C ATOM 1186 O GLU A 75 -1.264 -10.077 4.515 1.00 0.00 O ATOM 1187 CB GLU A 75 -0.545 -9.578 7.094 1.00 0.00 C ATOM 1188 CG GLU A 75 -0.330 -10.678 8.135 1.00 0.00 C ATOM 1189 CD GLU A 75 0.746 -10.240 9.129 1.00 0.00 C ATOM 1190 OE1 GLU A 75 1.819 -9.864 8.685 1.00 0.00 O ATOM 1191 OE2 GLU A 75 0.481 -10.288 10.320 1.00 0.00 O ATOM 0 H GLU A 75 2.324 -8.565 6.482 1.00 0.00 H new ATOM 0 HA GLU A 75 1.171 -10.538 6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.525 -8.600 7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.526 -9.687 6.632 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.263 -10.883 8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.031 -11.604 7.644 1.00 0.00 H new ATOM 1198 N ALA A 76 0.662 -9.539 3.605 1.00 0.00 N ATOM 1199 CA ALA A 76 0.093 -9.638 2.230 1.00 0.00 C ATOM 1200 C ALA A 76 0.935 -10.609 1.400 1.00 0.00 C ATOM 1201 O ALA A 76 2.094 -10.307 1.166 1.00 0.00 O ATOM 1202 CB ALA A 76 0.109 -8.257 1.571 1.00 0.00 C ATOM 1203 OXT ALA A 76 0.407 -11.639 1.013 1.00 0.00 O ATOM 0 H ALA A 76 1.648 -9.281 3.650 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.933 -10.002 2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.307 -8.329 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.490 -7.564 2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.135 -7.893 1.514 1.00 0.00 H new TER 1209 ALA A 76