USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 HIS : no HD1:sc= -0.0162 X(o=1.3,f=1.3) USER MOD Set 1.2: A 22 THR OG1 : rot -33:sc= 1.33 USER MOD Set 1.3: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 5 THR OG1 : rot -85:sc= 1.25 USER MOD Set 2.2: A 8 GLN : amide:sc= 1.25 K(o=2.5,f=0.87) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -141:sc= 0.865 (180deg=-0.23) USER MOD Single : A 9 GLN : amide:sc= 0.658 K(o=0.66,f=-1.4) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0482 K(o=-0.048,f=-0.63) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 172:sc= 0.969 (180deg=0.926) USER MOD Single : A 60 SER OG : rot 58:sc= 0.203 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.437 K(o=-0.44,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.601 -4.177 -17.416 1.00 0.00 N ATOM 2 CA MET A 1 -9.775 -4.209 -16.186 1.00 0.00 C ATOM 3 C MET A 1 -10.226 -3.119 -15.165 1.00 0.00 C ATOM 4 O MET A 1 -10.316 -1.931 -15.490 1.00 0.00 O ATOM 5 CB MET A 1 -8.290 -4.075 -16.592 1.00 0.00 C ATOM 6 CG MET A 1 -7.285 -4.306 -15.451 1.00 0.00 C ATOM 7 SD MET A 1 -7.451 -5.973 -14.789 1.00 0.00 S ATOM 8 CE MET A 1 -6.404 -5.812 -13.336 1.00 0.00 C ATOM 0 H1 MET A 1 -10.274 -4.914 -18.073 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.597 -4.349 -17.170 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.512 -3.245 -17.870 1.00 0.00 H new ATOM 0 HA MET A 1 -9.910 -5.159 -15.670 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.081 -4.787 -17.391 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.129 -3.078 -17.003 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.270 -4.153 -15.817 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.451 -3.576 -14.659 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.385 -6.758 -12.794 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.392 -5.550 -13.644 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.799 -5.030 -12.687 1.00 0.00 H new ATOM 19 N LYS A 2 -10.455 -3.526 -13.907 1.00 0.00 N ATOM 20 CA LYS A 2 -10.736 -2.572 -12.799 1.00 0.00 C ATOM 21 C LYS A 2 -9.421 -1.951 -12.217 1.00 0.00 C ATOM 22 O LYS A 2 -8.455 -2.667 -11.929 1.00 0.00 O ATOM 23 CB LYS A 2 -11.521 -3.353 -11.708 1.00 0.00 C ATOM 24 CG LYS A 2 -12.243 -2.446 -10.686 1.00 0.00 C ATOM 25 CD LYS A 2 -12.812 -3.263 -9.515 1.00 0.00 C ATOM 26 CE LYS A 2 -13.813 -2.512 -8.621 1.00 0.00 C ATOM 27 NZ LYS A 2 -13.229 -1.343 -7.929 1.00 0.00 N ATOM 0 H LYS A 2 -10.453 -4.505 -13.622 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.324 -1.732 -13.169 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.257 -3.995 -12.193 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.830 -4.006 -11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.547 -1.698 -10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.050 -1.907 -11.182 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.301 -4.151 -9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.983 -3.608 -8.896 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.653 -2.180 -9.231 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.212 -3.202 -7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.609 -1.286 -6.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.195 -1.444 -7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.472 -0.475 -8.448 1.00 0.00 H new ATOM 40 N ALA A 3 -9.418 -0.632 -11.992 1.00 0.00 N ATOM 41 CA ALA A 3 -8.305 0.064 -11.292 1.00 0.00 C ATOM 42 C ALA A 3 -8.312 -0.150 -9.739 1.00 0.00 C ATOM 43 O ALA A 3 -8.740 0.713 -8.971 1.00 0.00 O ATOM 44 CB ALA A 3 -8.430 1.538 -11.708 1.00 0.00 C ATOM 0 H ALA A 3 -10.174 -0.012 -12.282 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.338 -0.347 -11.581 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.641 2.119 -11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.336 1.620 -12.791 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.402 1.922 -11.398 1.00 0.00 H new ATOM 50 N LEU A 4 -7.849 -1.344 -9.322 1.00 0.00 N ATOM 51 CA LEU A 4 -7.907 -1.830 -7.916 1.00 0.00 C ATOM 52 C LEU A 4 -9.363 -2.084 -7.357 1.00 0.00 C ATOM 53 O LEU A 4 -10.319 -1.370 -7.664 1.00 0.00 O ATOM 54 CB LEU A 4 -7.081 -0.981 -6.914 1.00 0.00 C ATOM 55 CG LEU A 4 -5.578 -0.794 -7.190 1.00 0.00 C ATOM 56 CD1 LEU A 4 -4.997 0.161 -6.132 1.00 0.00 C ATOM 57 CD2 LEU A 4 -4.766 -2.089 -7.180 1.00 0.00 C ATOM 0 H LEU A 4 -7.416 -2.014 -9.957 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.428 -2.806 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.536 0.008 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.185 -1.434 -5.928 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.500 -0.391 -8.200 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.932 0.303 -6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.506 1.123 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.141 -0.265 -5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.719 -1.864 -7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.852 -2.565 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.147 -2.763 -7.947 1.00 0.00 H new ATOM 69 N THR A 5 -9.512 -3.094 -6.493 1.00 0.00 N ATOM 70 CA THR A 5 -10.779 -3.316 -5.723 1.00 0.00 C ATOM 71 C THR A 5 -10.974 -2.287 -4.546 1.00 0.00 C ATOM 72 O THR A 5 -10.023 -1.633 -4.115 1.00 0.00 O ATOM 73 CB THR A 5 -10.873 -4.781 -5.181 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.807 -5.098 -4.291 1.00 0.00 O ATOM 75 CG2 THR A 5 -10.899 -5.859 -6.261 1.00 0.00 C ATOM 0 H THR A 5 -8.782 -3.779 -6.297 1.00 0.00 H new ATOM 0 HA THR A 5 -11.589 -3.151 -6.433 1.00 0.00 H new ATOM 0 HB THR A 5 -11.831 -4.790 -4.661 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.026 -5.388 -4.807 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.965 -6.841 -5.793 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.763 -5.706 -6.907 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.987 -5.801 -6.855 1.00 0.00 H new ATOM 83 N ALA A 6 -12.198 -2.159 -4.007 1.00 0.00 N ATOM 84 CA ALA A 6 -12.505 -1.179 -2.923 1.00 0.00 C ATOM 85 C ALA A 6 -11.626 -1.193 -1.621 1.00 0.00 C ATOM 86 O ALA A 6 -11.228 -0.121 -1.155 1.00 0.00 O ATOM 87 CB ALA A 6 -14.000 -1.339 -2.604 1.00 0.00 C ATOM 0 H ALA A 6 -13.000 -2.718 -4.297 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.240 -0.198 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -14.280 -0.642 -1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.587 -1.129 -3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.194 -2.359 -2.274 1.00 0.00 H new ATOM 93 N ARG A 7 -11.292 -2.371 -1.066 1.00 0.00 N ATOM 94 CA ARG A 7 -10.251 -2.482 -0.002 1.00 0.00 C ATOM 95 C ARG A 7 -8.769 -2.256 -0.488 1.00 0.00 C ATOM 96 O ARG A 7 -8.015 -1.595 0.225 1.00 0.00 O ATOM 97 CB ARG A 7 -10.382 -3.802 0.790 1.00 0.00 C ATOM 98 CG ARG A 7 -11.682 -4.005 1.596 1.00 0.00 C ATOM 99 CD ARG A 7 -11.983 -2.984 2.702 1.00 0.00 C ATOM 100 NE ARG A 7 -11.072 -3.131 3.861 1.00 0.00 N ATOM 101 CZ ARG A 7 -11.099 -2.373 4.954 1.00 0.00 C ATOM 102 NH1 ARG A 7 -11.897 -1.364 5.138 1.00 0.00 N ATOM 103 NH2 ARG A 7 -10.278 -2.648 5.906 1.00 0.00 N ATOM 0 H ARG A 7 -11.718 -3.260 -1.327 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.459 -1.646 0.666 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.285 -4.630 0.088 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.541 -3.869 1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -12.518 -4.003 0.897 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.648 -4.996 2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.894 -1.976 2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -13.014 -3.104 3.035 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.370 -3.870 3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -12.566 -1.104 4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.855 -0.832 6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.630 -3.430 5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.276 -2.084 6.756 1.00 0.00 H new ATOM 116 N GLN A 8 -8.371 -2.722 -1.685 1.00 0.00 N ATOM 117 CA GLN A 8 -7.068 -2.341 -2.301 1.00 0.00 C ATOM 118 C GLN A 8 -6.861 -0.790 -2.566 1.00 0.00 C ATOM 119 O GLN A 8 -5.801 -0.271 -2.222 1.00 0.00 O ATOM 120 CB GLN A 8 -6.890 -3.074 -3.656 1.00 0.00 C ATOM 121 CG GLN A 8 -6.593 -4.581 -3.602 1.00 0.00 C ATOM 122 CD GLN A 8 -6.506 -5.186 -4.997 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.515 -5.430 -5.650 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.332 -5.413 -5.521 1.00 0.00 N ATOM 0 H GLN A 8 -8.926 -3.363 -2.252 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.325 -2.635 -1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.798 -2.929 -4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.079 -2.589 -4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.655 -4.749 -3.073 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.374 -5.086 -3.034 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.487 -5.213 -4.985 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.260 -5.790 -6.466 1.00 0.00 H new ATOM 133 N GLN A 9 -7.824 -0.073 -3.166 1.00 0.00 N ATOM 134 CA GLN A 9 -7.693 1.391 -3.443 1.00 0.00 C ATOM 135 C GLN A 9 -7.604 2.317 -2.186 1.00 0.00 C ATOM 136 O GLN A 9 -6.813 3.263 -2.197 1.00 0.00 O ATOM 137 CB GLN A 9 -8.821 1.786 -4.422 1.00 0.00 C ATOM 138 CG GLN A 9 -8.720 3.195 -5.055 1.00 0.00 C ATOM 139 CD GLN A 9 -7.516 3.451 -5.954 1.00 0.00 C ATOM 140 OE1 GLN A 9 -7.281 2.765 -6.938 1.00 0.00 O ATOM 141 NE2 GLN A 9 -6.718 4.449 -5.677 1.00 0.00 N ATOM 0 H GLN A 9 -8.710 -0.473 -3.475 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.717 1.559 -3.899 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.848 1.051 -5.227 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.772 1.716 -3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.624 3.374 -5.637 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.708 3.931 -4.251 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.897 5.033 -4.860 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.917 4.643 -6.278 1.00 0.00 H new ATOM 150 N GLU A 10 -8.347 2.048 -1.102 1.00 0.00 N ATOM 151 CA GLU A 10 -8.055 2.655 0.234 1.00 0.00 C ATOM 152 C GLU A 10 -6.672 2.300 0.882 1.00 0.00 C ATOM 153 O GLU A 10 -6.037 3.197 1.439 1.00 0.00 O ATOM 154 CB GLU A 10 -9.274 2.505 1.168 1.00 0.00 C ATOM 155 CG GLU A 10 -9.629 1.081 1.610 1.00 0.00 C ATOM 156 CD GLU A 10 -11.008 0.973 2.236 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.239 1.231 3.412 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.955 0.571 1.339 1.00 0.00 O ATOM 0 H GLU A 10 -9.151 1.421 -1.109 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.905 3.719 0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.095 3.104 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.142 2.932 0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.576 0.416 0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.884 0.734 2.326 1.00 0.00 H new ATOM 166 N VAL A 11 -6.164 1.060 0.739 1.00 0.00 N ATOM 167 CA VAL A 11 -4.719 0.732 1.006 1.00 0.00 C ATOM 168 C VAL A 11 -3.715 1.565 0.121 1.00 0.00 C ATOM 169 O VAL A 11 -2.796 2.161 0.688 1.00 0.00 O ATOM 170 CB VAL A 11 -4.486 -0.816 0.921 1.00 0.00 C ATOM 171 CG1 VAL A 11 -3.009 -1.248 1.091 1.00 0.00 C ATOM 172 CG2 VAL A 11 -5.266 -1.597 2.005 1.00 0.00 C ATOM 0 H VAL A 11 -6.720 0.258 0.441 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.495 1.042 2.027 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.836 -1.053 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.937 -2.333 1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.404 -0.791 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.645 -0.924 2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.068 -2.663 1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.947 -1.265 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.334 -1.413 1.888 1.00 0.00 H new ATOM 182 N PHE A 12 -3.904 1.650 -1.212 1.00 0.00 N ATOM 183 CA PHE A 12 -3.104 2.558 -2.081 1.00 0.00 C ATOM 184 C PHE A 12 -3.163 4.079 -1.707 1.00 0.00 C ATOM 185 O PHE A 12 -2.109 4.702 -1.583 1.00 0.00 O ATOM 186 CB PHE A 12 -3.431 2.290 -3.578 1.00 0.00 C ATOM 187 CG PHE A 12 -2.456 3.029 -4.524 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.125 2.600 -4.660 1.00 0.00 C ATOM 189 CD2 PHE A 12 -2.832 4.245 -5.114 1.00 0.00 C ATOM 190 CE1 PHE A 12 -0.189 3.387 -5.329 1.00 0.00 C ATOM 191 CE2 PHE A 12 -1.893 5.032 -5.783 1.00 0.00 C ATOM 192 CZ PHE A 12 -0.572 4.607 -5.878 1.00 0.00 C ATOM 0 H PHE A 12 -4.602 1.104 -1.716 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.060 2.307 -1.894 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.384 1.219 -3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.452 2.608 -3.789 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.824 1.651 -4.242 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.858 4.576 -5.050 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.833 3.050 -5.421 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.192 5.970 -6.227 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.158 5.225 -6.379 1.00 0.00 H new ATOM 202 N ASP A 13 -4.358 4.651 -1.505 1.00 0.00 N ATOM 203 CA ASP A 13 -4.507 6.031 -0.969 1.00 0.00 C ATOM 204 C ASP A 13 -3.810 6.323 0.413 1.00 0.00 C ATOM 205 O ASP A 13 -3.297 7.428 0.575 1.00 0.00 O ATOM 206 CB ASP A 13 -6.004 6.410 -0.922 1.00 0.00 C ATOM 207 CG ASP A 13 -6.587 6.801 -2.272 1.00 0.00 C ATOM 208 OD1 ASP A 13 -6.576 7.951 -2.696 1.00 0.00 O ATOM 209 OD2 ASP A 13 -7.117 5.741 -2.946 1.00 0.00 O ATOM 0 H ASP A 13 -5.244 4.186 -1.702 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.963 6.665 -1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.569 5.567 -0.524 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.137 7.239 -0.227 1.00 0.00 H new ATOM 215 N LEU A 14 -3.747 5.369 1.354 1.00 0.00 N ATOM 216 CA LEU A 14 -2.920 5.512 2.587 1.00 0.00 C ATOM 217 C LEU A 14 -1.371 5.508 2.367 1.00 0.00 C ATOM 218 O LEU A 14 -0.718 6.419 2.874 1.00 0.00 O ATOM 219 CB LEU A 14 -3.426 4.452 3.590 1.00 0.00 C ATOM 220 CG LEU A 14 -2.798 4.469 5.002 1.00 0.00 C ATOM 221 CD1 LEU A 14 -2.972 5.806 5.729 1.00 0.00 C ATOM 222 CD2 LEU A 14 -3.454 3.363 5.843 1.00 0.00 C ATOM 0 H LEU A 14 -4.255 4.486 1.295 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.058 6.514 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.504 4.573 3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.258 3.467 3.156 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.727 4.308 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.508 5.748 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.498 6.599 5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.034 6.024 5.841 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.021 3.362 6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.526 3.546 5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.280 2.396 5.371 1.00 0.00 H new ATOM 234 N ILE A 15 -0.777 4.558 1.620 1.00 0.00 N ATOM 235 CA ILE A 15 0.666 4.664 1.188 1.00 0.00 C ATOM 236 C ILE A 15 1.029 5.918 0.316 1.00 0.00 C ATOM 237 O ILE A 15 2.044 6.563 0.588 1.00 0.00 O ATOM 238 CB ILE A 15 1.196 3.293 0.644 1.00 0.00 C ATOM 239 CG1 ILE A 15 2.730 3.299 0.395 1.00 0.00 C ATOM 240 CG2 ILE A 15 0.482 2.782 -0.619 1.00 0.00 C ATOM 241 CD1 ILE A 15 3.387 1.930 0.569 1.00 0.00 C ATOM 0 H ILE A 15 -1.249 3.713 1.297 1.00 0.00 H new ATOM 0 HA ILE A 15 1.233 4.879 2.094 1.00 0.00 H new ATOM 0 HB ILE A 15 0.961 2.598 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.924 3.659 -0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.197 4.006 1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.916 1.829 -0.922 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.579 2.647 -0.408 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.603 3.507 -1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.457 2.013 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.226 1.576 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.947 1.223 -0.135 1.00 0.00 H new ATOM 253 N ARG A 16 0.190 6.292 -0.658 1.00 0.00 N ATOM 254 CA ARG A 16 0.270 7.609 -1.357 1.00 0.00 C ATOM 255 C ARG A 16 0.205 8.870 -0.433 1.00 0.00 C ATOM 256 O ARG A 16 1.099 9.713 -0.516 1.00 0.00 O ATOM 257 CB ARG A 16 -0.812 7.545 -2.462 1.00 0.00 C ATOM 258 CG ARG A 16 -0.974 8.800 -3.335 1.00 0.00 C ATOM 259 CD ARG A 16 -1.960 8.549 -4.487 1.00 0.00 C ATOM 260 NE ARG A 16 -2.382 9.837 -5.085 1.00 0.00 N ATOM 261 CZ ARG A 16 -3.490 10.502 -4.798 1.00 0.00 C ATOM 262 NH1 ARG A 16 -4.387 10.112 -3.942 1.00 0.00 N ATOM 263 NH2 ARG A 16 -3.685 11.617 -5.414 1.00 0.00 N ATOM 0 H ARG A 16 -0.569 5.699 -0.994 1.00 0.00 H new ATOM 0 HA ARG A 16 1.261 7.756 -1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.584 6.702 -3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.771 7.332 -1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.329 9.629 -2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.005 9.093 -3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.492 7.922 -5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.831 8.007 -4.119 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.762 10.249 -5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.262 9.235 -3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.216 10.683 -3.776 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.999 11.953 -6.091 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.525 12.164 -5.225 1.00 0.00 H new ATOM 276 N ASP A 17 -0.796 8.982 0.456 1.00 0.00 N ATOM 277 CA ASP A 17 -0.844 10.046 1.500 1.00 0.00 C ATOM 278 C ASP A 17 0.371 10.066 2.492 1.00 0.00 C ATOM 279 O ASP A 17 0.983 11.119 2.664 1.00 0.00 O ATOM 280 CB ASP A 17 -2.210 9.898 2.217 1.00 0.00 C ATOM 281 CG ASP A 17 -2.556 11.032 3.161 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.278 11.975 2.857 1.00 0.00 O ATOM 283 OD2 ASP A 17 -1.945 10.900 4.370 1.00 0.00 O ATOM 0 H ASP A 17 -1.594 8.348 0.480 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.753 11.019 1.017 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.994 9.819 1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.211 8.963 2.778 1.00 0.00 H new ATOM 289 N HIS A 18 0.707 8.936 3.127 1.00 0.00 N ATOM 290 CA HIS A 18 1.817 8.854 4.116 1.00 0.00 C ATOM 291 C HIS A 18 3.248 9.149 3.547 1.00 0.00 C ATOM 292 O HIS A 18 4.000 9.878 4.198 1.00 0.00 O ATOM 293 CB HIS A 18 1.699 7.473 4.798 1.00 0.00 C ATOM 294 CG HIS A 18 2.331 7.366 6.195 1.00 0.00 C ATOM 295 ND1 HIS A 18 1.572 7.094 7.325 1.00 0.00 N ATOM 296 CD2 HIS A 18 3.697 7.445 6.539 1.00 0.00 C ATOM 297 CE1 HIS A 18 2.567 7.042 8.265 1.00 0.00 C ATOM 298 NE2 HIS A 18 3.865 7.229 7.888 1.00 0.00 N ATOM 0 H HIS A 18 0.226 8.049 2.978 1.00 0.00 H new ATOM 0 HA HIS A 18 1.705 9.660 4.841 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.643 7.215 4.876 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.162 6.728 4.151 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.497 7.646 5.843 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.325 6.854 9.301 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.718 7.213 8.447 1.00 0.00 H new ATOM 306 N ILE A 19 3.605 8.643 2.354 1.00 0.00 N ATOM 307 CA ILE A 19 4.863 9.047 1.645 1.00 0.00 C ATOM 308 C ILE A 19 4.831 10.543 1.150 1.00 0.00 C ATOM 309 O ILE A 19 5.807 11.254 1.390 1.00 0.00 O ATOM 310 CB ILE A 19 5.232 8.028 0.499 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.482 6.599 1.072 1.00 0.00 C ATOM 312 CG2 ILE A 19 6.502 8.461 -0.285 1.00 0.00 C ATOM 313 CD1 ILE A 19 5.604 5.503 0.014 1.00 0.00 C ATOM 0 H ILE A 19 3.050 7.953 1.849 1.00 0.00 H new ATOM 0 HA ILE A 19 5.669 9.004 2.377 1.00 0.00 H new ATOM 0 HB ILE A 19 4.378 8.018 -0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.395 6.615 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.665 6.345 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.716 7.729 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.333 9.436 -0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.349 8.522 0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.777 4.544 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.683 5.454 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.439 5.728 -0.649 1.00 0.00 H new ATOM 325 N SER A 20 3.763 11.029 0.495 1.00 0.00 N ATOM 326 CA SER A 20 3.656 12.468 0.114 1.00 0.00 C ATOM 327 C SER A 20 3.595 13.535 1.269 1.00 0.00 C ATOM 328 O SER A 20 4.023 14.667 1.043 1.00 0.00 O ATOM 329 CB SER A 20 2.434 12.629 -0.821 1.00 0.00 C ATOM 330 OG SER A 20 2.393 13.937 -1.397 1.00 0.00 O ATOM 0 H SER A 20 2.963 10.461 0.216 1.00 0.00 H new ATOM 0 HA SER A 20 4.606 12.697 -0.369 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.478 11.881 -1.613 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.517 12.447 -0.260 1.00 0.00 H new ATOM 0 HG SER A 20 1.612 14.011 -1.985 1.00 0.00 H new ATOM 336 N GLN A 21 3.043 13.200 2.440 1.00 0.00 N ATOM 337 CA GLN A 21 3.002 14.108 3.619 1.00 0.00 C ATOM 338 C GLN A 21 4.204 13.946 4.623 1.00 0.00 C ATOM 339 O GLN A 21 4.676 14.958 5.141 1.00 0.00 O ATOM 340 CB GLN A 21 1.643 13.913 4.358 1.00 0.00 C ATOM 341 CG GLN A 21 0.425 14.421 3.551 1.00 0.00 C ATOM 342 CD GLN A 21 -0.940 14.145 4.162 1.00 0.00 C ATOM 343 OE1 GLN A 21 -1.142 13.400 5.117 1.00 0.00 O ATOM 344 NE2 GLN A 21 -1.970 14.690 3.567 1.00 0.00 N ATOM 0 H GLN A 21 2.608 12.293 2.610 1.00 0.00 H new ATOM 0 HA GLN A 21 3.100 15.122 3.232 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.507 12.854 4.579 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.680 14.436 5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.529 15.497 3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.456 13.968 2.560 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.829 15.313 2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.914 14.492 3.899 1.00 0.00 H new ATOM 353 N THR A 22 4.658 12.716 4.912 1.00 0.00 N ATOM 354 CA THR A 22 5.779 12.456 5.866 1.00 0.00 C ATOM 355 C THR A 22 7.095 11.832 5.248 1.00 0.00 C ATOM 356 O THR A 22 8.158 11.988 5.852 1.00 0.00 O ATOM 357 CB THR A 22 5.341 11.545 7.066 1.00 0.00 C ATOM 358 OG1 THR A 22 5.066 10.211 6.654 1.00 0.00 O ATOM 359 CG2 THR A 22 4.133 12.030 7.858 1.00 0.00 C ATOM 0 H THR A 22 4.269 11.868 4.499 1.00 0.00 H new ATOM 0 HA THR A 22 6.027 13.464 6.198 1.00 0.00 H new ATOM 0 HB THR A 22 6.210 11.592 7.723 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.698 10.218 5.746 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.919 11.326 8.662 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.346 13.011 8.282 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.269 12.100 7.197 1.00 0.00 H new ATOM 367 N GLY A 23 7.016 11.097 4.128 1.00 0.00 N ATOM 368 CA GLY A 23 8.178 10.382 3.539 1.00 0.00 C ATOM 369 C GLY A 23 8.209 8.837 3.601 1.00 0.00 C ATOM 370 O GLY A 23 8.871 8.228 2.760 1.00 0.00 O ATOM 0 H GLY A 23 6.151 10.977 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.248 10.672 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.077 10.751 4.032 1.00 0.00 H new ATOM 374 N MET A 24 7.567 8.208 4.593 1.00 0.00 N ATOM 375 CA MET A 24 7.939 6.835 5.033 1.00 0.00 C ATOM 376 C MET A 24 6.925 5.715 4.598 1.00 0.00 C ATOM 377 O MET A 24 5.780 5.775 5.045 1.00 0.00 O ATOM 378 CB MET A 24 8.060 6.848 6.585 1.00 0.00 C ATOM 379 CG MET A 24 9.212 7.695 7.150 1.00 0.00 C ATOM 380 SD MET A 24 9.034 7.859 8.936 1.00 0.00 S ATOM 381 CE MET A 24 7.928 9.280 9.021 1.00 0.00 C ATOM 0 H MET A 24 6.789 8.616 5.111 1.00 0.00 H new ATOM 0 HA MET A 24 8.880 6.584 4.544 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.123 7.216 7.002 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.182 5.822 6.931 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.168 7.229 6.912 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.213 8.680 6.684 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.716 9.514 10.064 1.00 0.00 H new ATOM 0 HE2 MET A 24 8.402 10.139 8.545 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.996 9.047 8.505 1.00 0.00 H new ATOM 391 N PRO A 25 7.286 4.669 3.803 1.00 0.00 N ATOM 392 CA PRO A 25 6.324 3.590 3.396 1.00 0.00 C ATOM 393 C PRO A 25 5.610 2.735 4.491 1.00 0.00 C ATOM 394 O PRO A 25 6.293 1.968 5.180 1.00 0.00 O ATOM 395 CB PRO A 25 7.220 2.686 2.495 1.00 0.00 C ATOM 396 CG PRO A 25 8.257 3.641 1.885 1.00 0.00 C ATOM 397 CD PRO A 25 8.537 4.647 3.007 1.00 0.00 C ATOM 0 HA PRO A 25 5.452 4.060 2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.701 1.900 3.078 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.632 2.194 1.720 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.162 3.111 1.588 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.870 4.134 0.993 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.389 4.339 3.614 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.771 5.634 2.607 1.00 0.00 H new ATOM 405 N PRO A 26 4.258 2.746 4.654 1.00 0.00 N ATOM 406 CA PRO A 26 3.544 1.775 5.550 1.00 0.00 C ATOM 407 C PRO A 26 3.579 0.300 5.065 1.00 0.00 C ATOM 408 O PRO A 26 3.210 0.001 3.926 1.00 0.00 O ATOM 409 CB PRO A 26 2.095 2.338 5.568 1.00 0.00 C ATOM 410 CG PRO A 26 2.260 3.835 5.236 1.00 0.00 C ATOM 411 CD PRO A 26 3.359 3.809 4.160 1.00 0.00 C ATOM 0 HA PRO A 26 4.018 1.711 6.530 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.465 1.836 4.834 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.626 2.196 6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.335 4.274 4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.558 4.415 6.109 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.957 3.576 3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.870 4.768 4.078 1.00 0.00 H new ATOM 419 N THR A 27 4.004 -0.620 5.939 1.00 0.00 N ATOM 420 CA THR A 27 4.141 -2.065 5.577 1.00 0.00 C ATOM 421 C THR A 27 2.840 -2.879 5.870 1.00 0.00 C ATOM 422 O THR A 27 2.115 -3.238 4.944 1.00 0.00 O ATOM 423 CB THR A 27 5.417 -2.718 6.208 1.00 0.00 C ATOM 424 OG1 THR A 27 5.443 -2.613 7.630 1.00 0.00 O ATOM 425 CG2 THR A 27 6.725 -2.122 5.702 1.00 0.00 C ATOM 0 H THR A 27 4.262 -0.406 6.902 1.00 0.00 H new ATOM 0 HA THR A 27 4.283 -2.101 4.497 1.00 0.00 H new ATOM 0 HB THR A 27 5.344 -3.760 5.898 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.257 -3.036 7.974 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.564 -2.624 6.183 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.793 -2.256 4.622 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.755 -1.058 5.938 1.00 0.00 H new ATOM 433 N ARG A 28 2.545 -3.169 7.143 1.00 0.00 N ATOM 434 CA ARG A 28 1.316 -3.901 7.539 1.00 0.00 C ATOM 435 C ARG A 28 0.639 -3.414 8.857 1.00 0.00 C ATOM 436 O ARG A 28 -0.591 -3.399 8.919 1.00 0.00 O ATOM 437 CB ARG A 28 1.553 -5.421 7.488 1.00 0.00 C ATOM 438 CG ARG A 28 2.506 -6.039 8.520 1.00 0.00 C ATOM 439 CD ARG A 28 2.571 -7.562 8.340 1.00 0.00 C ATOM 440 NE ARG A 28 3.244 -8.170 9.508 1.00 0.00 N ATOM 441 CZ ARG A 28 3.091 -9.419 9.917 1.00 0.00 C ATOM 442 NH1 ARG A 28 2.334 -10.302 9.333 1.00 0.00 N ATOM 443 NH2 ARG A 28 3.736 -9.779 10.973 1.00 0.00 N ATOM 0 H ARG A 28 3.141 -2.909 7.929 1.00 0.00 H new ATOM 0 HA ARG A 28 0.564 -3.651 6.791 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.586 -5.913 7.591 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.931 -5.666 6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.502 -5.610 8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.167 -5.799 9.528 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.566 -7.969 8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.113 -7.808 7.427 1.00 0.00 H new ATOM 0 HE ARG A 28 3.879 -7.577 10.043 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.806 -10.049 8.498 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.269 -11.247 9.710 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.335 -9.110 11.458 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.648 -10.733 11.324 1.00 0.00 H new ATOM 456 N ALA A 29 1.409 -3.023 9.889 1.00 0.00 N ATOM 457 CA ALA A 29 0.845 -2.528 11.172 1.00 0.00 C ATOM 458 C ALA A 29 0.059 -1.180 11.096 1.00 0.00 C ATOM 459 O ALA A 29 -1.096 -1.142 11.519 1.00 0.00 O ATOM 460 CB ALA A 29 1.995 -2.493 12.188 1.00 0.00 C ATOM 0 H ALA A 29 2.429 -3.038 9.865 1.00 0.00 H new ATOM 0 HA ALA A 29 0.062 -3.219 11.485 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.622 -2.134 13.147 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.403 -3.496 12.310 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.777 -1.824 11.829 1.00 0.00 H new ATOM 466 N GLU A 30 0.640 -0.117 10.514 1.00 0.00 N ATOM 467 CA GLU A 30 -0.093 1.165 10.257 1.00 0.00 C ATOM 468 C GLU A 30 -1.343 1.057 9.318 1.00 0.00 C ATOM 469 O GLU A 30 -2.385 1.632 9.632 1.00 0.00 O ATOM 470 CB GLU A 30 0.973 2.175 9.770 1.00 0.00 C ATOM 471 CG GLU A 30 0.565 3.659 9.764 1.00 0.00 C ATOM 472 CD GLU A 30 -0.216 4.178 8.570 1.00 0.00 C ATOM 473 OE1 GLU A 30 -0.347 3.587 7.503 1.00 0.00 O ATOM 474 OE2 GLU A 30 -0.727 5.414 8.810 1.00 0.00 O ATOM 0 H GLU A 30 1.613 -0.106 10.208 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.566 1.502 11.180 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.857 2.067 10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.267 1.898 8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.029 3.846 10.659 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.473 4.255 9.854 1.00 0.00 H new ATOM 482 N ILE A 31 -1.250 0.286 8.224 1.00 0.00 N ATOM 483 CA ILE A 31 -2.423 -0.081 7.364 1.00 0.00 C ATOM 484 C ILE A 31 -3.560 -0.847 8.141 1.00 0.00 C ATOM 485 O ILE A 31 -4.722 -0.448 8.040 1.00 0.00 O ATOM 486 CB ILE A 31 -1.906 -0.820 6.074 1.00 0.00 C ATOM 487 CG1 ILE A 31 -1.065 0.138 5.166 1.00 0.00 C ATOM 488 CG2 ILE A 31 -3.044 -1.386 5.191 1.00 0.00 C ATOM 489 CD1 ILE A 31 -0.133 -0.588 4.197 1.00 0.00 C ATOM 0 H ILE A 31 -0.368 -0.108 7.897 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.923 0.834 7.046 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.301 -1.643 6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.744 0.772 4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.472 0.797 5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.616 -1.882 4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.628 -2.104 5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.690 -0.571 4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.415 0.143 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.572 -1.200 4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.720 -1.226 3.536 1.00 0.00 H new ATOM 501 N ALA A 32 -3.238 -1.897 8.915 1.00 0.00 N ATOM 502 CA ALA A 32 -4.205 -2.547 9.836 1.00 0.00 C ATOM 503 C ALA A 32 -4.837 -1.672 10.968 1.00 0.00 C ATOM 504 O ALA A 32 -6.049 -1.753 11.179 1.00 0.00 O ATOM 505 CB ALA A 32 -3.506 -3.797 10.392 1.00 0.00 C ATOM 0 H ALA A 32 -2.310 -2.321 8.926 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.093 -2.779 9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.177 -4.314 11.078 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.244 -4.463 9.570 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.601 -3.502 10.923 1.00 0.00 H new ATOM 511 N GLN A 33 -4.044 -0.842 11.656 1.00 0.00 N ATOM 512 CA GLN A 33 -4.551 0.132 12.658 1.00 0.00 C ATOM 513 C GLN A 33 -5.457 1.290 12.094 1.00 0.00 C ATOM 514 O GLN A 33 -6.477 1.597 12.711 1.00 0.00 O ATOM 515 CB GLN A 33 -3.335 0.737 13.419 1.00 0.00 C ATOM 516 CG GLN A 33 -2.599 -0.250 14.353 1.00 0.00 C ATOM 517 CD GLN A 33 -1.316 0.316 14.943 1.00 0.00 C ATOM 518 OE1 GLN A 33 -0.231 0.203 14.385 1.00 0.00 O ATOM 519 NE2 GLN A 33 -1.380 0.940 16.091 1.00 0.00 N ATOM 0 H GLN A 33 -3.031 -0.819 11.541 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.212 -0.434 13.315 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.624 1.124 12.689 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.680 1.586 14.010 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.267 -0.537 15.165 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.365 -1.158 13.797 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.276 1.042 16.567 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.533 1.325 16.510 1.00 0.00 H new ATOM 528 N ARG A 34 -5.087 1.920 10.970 1.00 0.00 N ATOM 529 CA ARG A 34 -5.907 2.988 10.331 1.00 0.00 C ATOM 530 C ARG A 34 -7.191 2.505 9.580 1.00 0.00 C ATOM 531 O ARG A 34 -8.253 3.099 9.780 1.00 0.00 O ATOM 532 CB ARG A 34 -4.927 3.806 9.451 1.00 0.00 C ATOM 533 CG ARG A 34 -5.517 4.951 8.614 1.00 0.00 C ATOM 534 CD ARG A 34 -6.211 6.058 9.410 1.00 0.00 C ATOM 535 NE ARG A 34 -6.850 7.015 8.474 1.00 0.00 N ATOM 536 CZ ARG A 34 -8.071 6.904 7.970 1.00 0.00 C ATOM 537 NH1 ARG A 34 -8.885 5.915 8.207 1.00 0.00 N ATOM 538 NH2 ARG A 34 -8.471 7.845 7.186 1.00 0.00 N ATOM 0 H ARG A 34 -4.220 1.714 10.473 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.358 3.610 11.104 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.159 4.225 10.102 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.427 3.115 8.772 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.716 5.398 8.026 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.234 4.530 7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.960 5.628 10.074 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.487 6.576 10.039 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.303 7.829 8.194 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.596 5.153 8.820 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.811 5.903 7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.856 8.631 6.978 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.403 7.804 6.774 1.00 0.00 H new ATOM 551 N LEU A 35 -7.099 1.495 8.707 1.00 0.00 N ATOM 552 CA LEU A 35 -8.264 1.011 7.906 1.00 0.00 C ATOM 553 C LEU A 35 -9.130 -0.146 8.534 1.00 0.00 C ATOM 554 O LEU A 35 -10.218 -0.419 8.019 1.00 0.00 O ATOM 555 CB LEU A 35 -7.747 0.573 6.504 1.00 0.00 C ATOM 556 CG LEU A 35 -7.139 1.693 5.629 1.00 0.00 C ATOM 557 CD1 LEU A 35 -6.431 1.073 4.421 1.00 0.00 C ATOM 558 CD2 LEU A 35 -8.185 2.697 5.137 1.00 0.00 C ATOM 0 H LEU A 35 -6.234 0.986 8.526 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.951 1.856 7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.994 -0.203 6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.575 0.121 5.958 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.432 2.238 6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.003 1.864 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.637 0.411 4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.149 0.503 3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.699 3.460 4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.934 2.178 4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.667 3.169 5.993 1.00 0.00 H new ATOM 570 N GLY A 36 -8.672 -0.812 9.604 1.00 0.00 N ATOM 571 CA GLY A 36 -9.437 -1.890 10.272 1.00 0.00 C ATOM 572 C GLY A 36 -9.261 -3.315 9.723 1.00 0.00 C ATOM 573 O GLY A 36 -10.254 -3.992 9.455 1.00 0.00 O ATOM 0 H GLY A 36 -7.766 -0.624 10.034 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -9.162 -1.897 11.327 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.496 -1.636 10.221 1.00 0.00 H new ATOM 577 N PHE A 37 -8.015 -3.794 9.630 1.00 0.00 N ATOM 578 CA PHE A 37 -7.727 -5.200 9.250 1.00 0.00 C ATOM 579 C PHE A 37 -7.398 -6.020 10.538 1.00 0.00 C ATOM 580 O PHE A 37 -6.341 -5.840 11.148 1.00 0.00 O ATOM 581 CB PHE A 37 -6.565 -5.299 8.227 1.00 0.00 C ATOM 582 CG PHE A 37 -6.865 -4.707 6.842 1.00 0.00 C ATOM 583 CD1 PHE A 37 -7.662 -5.418 5.933 1.00 0.00 C ATOM 584 CD2 PHE A 37 -6.367 -3.450 6.460 1.00 0.00 C ATOM 585 CE1 PHE A 37 -7.965 -4.881 4.683 1.00 0.00 C ATOM 586 CE2 PHE A 37 -6.657 -2.922 5.200 1.00 0.00 C ATOM 587 CZ PHE A 37 -7.452 -3.639 4.313 1.00 0.00 C ATOM 0 H PHE A 37 -7.182 -3.234 9.811 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.611 -5.613 8.764 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.693 -4.792 8.641 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.296 -6.348 8.106 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.045 -6.391 6.204 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.754 -2.886 7.148 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.598 -5.428 4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.264 -1.957 4.915 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.672 -3.233 3.337 1.00 0.00 H new ATOM 597 N ARG A 38 -8.303 -6.931 10.925 1.00 0.00 N ATOM 598 CA ARG A 38 -8.149 -7.759 12.161 1.00 0.00 C ATOM 599 C ARG A 38 -6.831 -8.590 12.361 1.00 0.00 C ATOM 600 O ARG A 38 -6.371 -8.730 13.495 1.00 0.00 O ATOM 601 CB ARG A 38 -9.429 -8.616 12.356 1.00 0.00 C ATOM 602 CG ARG A 38 -9.670 -9.738 11.329 1.00 0.00 C ATOM 603 CD ARG A 38 -10.988 -10.480 11.586 1.00 0.00 C ATOM 604 NE ARG A 38 -11.122 -11.532 10.551 1.00 0.00 N ATOM 605 CZ ARG A 38 -12.134 -12.375 10.439 1.00 0.00 C ATOM 606 NH1 ARG A 38 -13.165 -12.399 11.233 1.00 0.00 N ATOM 607 NH2 ARG A 38 -12.090 -13.228 9.475 1.00 0.00 N ATOM 0 H ARG A 38 -9.159 -7.124 10.405 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.026 -7.026 12.958 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.391 -9.065 13.348 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.291 -7.949 12.341 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.683 -9.314 10.325 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.842 -10.446 11.365 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.990 -10.921 12.583 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.830 -9.790 11.541 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.370 -11.612 9.867 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.229 -11.736 12.005 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.909 -13.081 11.083 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.295 -13.234 8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.850 -13.897 9.351 1.00 0.00 H new ATOM 620 N SER A 39 -6.240 -9.102 11.272 1.00 0.00 N ATOM 621 CA SER A 39 -4.842 -9.590 11.279 1.00 0.00 C ATOM 622 C SER A 39 -3.915 -8.684 10.397 1.00 0.00 C ATOM 623 O SER A 39 -4.295 -8.397 9.253 1.00 0.00 O ATOM 624 CB SER A 39 -4.809 -11.065 10.786 1.00 0.00 C ATOM 625 OG SER A 39 -5.227 -11.225 9.428 1.00 0.00 O ATOM 0 H SER A 39 -6.706 -9.192 10.369 1.00 0.00 H new ATOM 0 HA SER A 39 -4.460 -9.543 12.299 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.796 -11.452 10.893 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.451 -11.668 11.428 1.00 0.00 H new ATOM 0 HG SER A 39 -5.181 -12.172 9.181 1.00 0.00 H new ATOM 631 N PRO A 40 -2.680 -8.285 10.812 1.00 0.00 N ATOM 632 CA PRO A 40 -1.655 -7.698 9.873 1.00 0.00 C ATOM 633 C PRO A 40 -1.335 -8.448 8.548 1.00 0.00 C ATOM 634 O PRO A 40 -1.053 -7.803 7.539 1.00 0.00 O ATOM 635 CB PRO A 40 -0.417 -7.540 10.791 1.00 0.00 C ATOM 636 CG PRO A 40 -1.020 -7.347 12.201 1.00 0.00 C ATOM 637 CD PRO A 40 -2.221 -8.309 12.216 1.00 0.00 C ATOM 0 HA PRO A 40 -2.045 -6.777 9.438 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.226 -8.419 10.749 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.192 -6.685 10.497 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.300 -7.592 12.982 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.331 -6.315 12.366 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.931 -9.312 12.529 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.999 -7.973 12.901 1.00 0.00 H new ATOM 645 N ASN A 41 -1.433 -9.786 8.530 1.00 0.00 N ATOM 646 CA ASN A 41 -1.419 -10.594 7.281 1.00 0.00 C ATOM 647 C ASN A 41 -2.500 -10.239 6.185 1.00 0.00 C ATOM 648 O ASN A 41 -2.181 -10.355 5.003 1.00 0.00 O ATOM 649 CB ASN A 41 -1.519 -12.099 7.643 1.00 0.00 C ATOM 650 CG ASN A 41 -0.304 -12.671 8.356 1.00 0.00 C ATOM 651 OD1 ASN A 41 -0.220 -12.691 9.577 1.00 0.00 O ATOM 652 ND2 ASN A 41 0.685 -13.139 7.640 1.00 0.00 N ATOM 0 H ASN A 41 -1.525 -10.347 9.377 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.471 -10.341 6.807 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.395 -12.248 8.274 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.685 -12.667 6.728 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.514 -13.515 8.100 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.627 -13.128 6.622 1.00 0.00 H new ATOM 659 N ALA A 42 -3.717 -9.796 6.545 1.00 0.00 N ATOM 660 CA ALA A 42 -4.676 -9.204 5.570 1.00 0.00 C ATOM 661 C ALA A 42 -4.263 -7.826 4.939 1.00 0.00 C ATOM 662 O ALA A 42 -4.358 -7.675 3.719 1.00 0.00 O ATOM 663 CB ALA A 42 -6.037 -9.138 6.276 1.00 0.00 C ATOM 0 H ALA A 42 -4.069 -9.833 7.502 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.700 -9.849 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.777 -8.709 5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.347 -10.143 6.564 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.955 -8.515 7.167 1.00 0.00 H new ATOM 669 N ALA A 43 -3.762 -6.869 5.738 1.00 0.00 N ATOM 670 CA ALA A 43 -3.061 -5.662 5.214 1.00 0.00 C ATOM 671 C ALA A 43 -1.804 -5.925 4.302 1.00 0.00 C ATOM 672 O ALA A 43 -1.711 -5.369 3.207 1.00 0.00 O ATOM 673 CB ALA A 43 -2.708 -4.819 6.449 1.00 0.00 C ATOM 0 H ALA A 43 -3.825 -6.899 6.756 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.730 -5.149 4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.189 -3.913 6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.622 -4.548 6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.063 -5.396 7.111 1.00 0.00 H new ATOM 679 N GLU A 44 -0.899 -6.812 4.740 1.00 0.00 N ATOM 680 CA GLU A 44 0.193 -7.382 3.897 1.00 0.00 C ATOM 681 C GLU A 44 -0.242 -8.077 2.562 1.00 0.00 C ATOM 682 O GLU A 44 0.389 -7.832 1.534 1.00 0.00 O ATOM 683 CB GLU A 44 0.936 -8.353 4.850 1.00 0.00 C ATOM 684 CG GLU A 44 2.229 -8.993 4.317 1.00 0.00 C ATOM 685 CD GLU A 44 2.853 -9.945 5.333 1.00 0.00 C ATOM 686 OE1 GLU A 44 2.266 -10.906 5.824 1.00 0.00 O ATOM 687 OE2 GLU A 44 4.127 -9.597 5.656 1.00 0.00 O ATOM 0 H GLU A 44 -0.894 -7.165 5.697 1.00 0.00 H new ATOM 0 HA GLU A 44 0.815 -6.574 3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.177 -7.813 5.766 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.248 -9.153 5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.013 -9.535 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.945 -8.210 4.066 1.00 0.00 H new ATOM 695 N GLU A 45 -1.294 -8.912 2.565 1.00 0.00 N ATOM 696 CA GLU A 45 -1.858 -9.503 1.319 1.00 0.00 C ATOM 697 C GLU A 45 -2.468 -8.492 0.291 1.00 0.00 C ATOM 698 O GLU A 45 -2.284 -8.694 -0.910 1.00 0.00 O ATOM 699 CB GLU A 45 -2.864 -10.609 1.731 1.00 0.00 C ATOM 700 CG GLU A 45 -3.204 -11.625 0.618 1.00 0.00 C ATOM 701 CD GLU A 45 -2.063 -12.563 0.254 1.00 0.00 C ATOM 702 OE1 GLU A 45 -1.285 -12.359 -0.671 1.00 0.00 O ATOM 703 OE2 GLU A 45 -1.999 -13.638 1.091 1.00 0.00 O ATOM 0 H GLU A 45 -1.779 -9.200 3.415 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.023 -9.920 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.457 -11.150 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.787 -10.135 2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.060 -12.220 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.508 -11.079 -0.275 1.00 0.00 H new ATOM 711 N HIS A 46 -3.126 -7.403 0.729 1.00 0.00 N ATOM 712 CA HIS A 46 -3.408 -6.246 -0.166 1.00 0.00 C ATOM 713 C HIS A 46 -2.138 -5.516 -0.718 1.00 0.00 C ATOM 714 O HIS A 46 -2.102 -5.276 -1.920 1.00 0.00 O ATOM 715 CB HIS A 46 -4.379 -5.240 0.489 1.00 0.00 C ATOM 716 CG HIS A 46 -5.826 -5.739 0.564 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.603 -6.003 -0.555 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.549 -6.005 1.732 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.749 -6.427 0.058 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.812 -6.460 1.421 1.00 0.00 N ATOM 0 H HIS A 46 -3.472 -7.292 1.682 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.890 -6.688 -1.038 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.029 -5.014 1.496 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.355 -4.307 -0.073 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.171 -5.873 2.735 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.599 -6.734 -0.533 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.576 -6.741 2.035 1.00 0.00 H new ATOM 728 N LEU A 47 -1.103 -5.228 0.088 1.00 0.00 N ATOM 729 CA LEU A 47 0.232 -4.778 -0.438 1.00 0.00 C ATOM 730 C LEU A 47 0.880 -5.711 -1.526 1.00 0.00 C ATOM 731 O LEU A 47 1.291 -5.217 -2.579 1.00 0.00 O ATOM 732 CB LEU A 47 1.124 -4.499 0.798 1.00 0.00 C ATOM 733 CG LEU A 47 2.365 -3.606 0.567 1.00 0.00 C ATOM 734 CD1 LEU A 47 2.808 -2.993 1.908 1.00 0.00 C ATOM 735 CD2 LEU A 47 3.565 -4.363 -0.011 1.00 0.00 C ATOM 0 H LEU A 47 -1.147 -5.293 1.105 1.00 0.00 H new ATOM 0 HA LEU A 47 0.104 -3.866 -1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.507 -4.033 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.462 -5.455 1.198 1.00 0.00 H new ATOM 0 HG LEU A 47 2.063 -2.849 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.683 -2.363 1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.997 -2.391 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.058 -3.791 2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.399 -3.674 -0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.859 -5.157 0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.292 -4.797 -0.973 1.00 0.00 H new ATOM 747 N LYS A 48 0.895 -7.035 -1.318 1.00 0.00 N ATOM 748 CA LYS A 48 1.224 -8.029 -2.382 1.00 0.00 C ATOM 749 C LYS A 48 0.314 -7.980 -3.672 1.00 0.00 C ATOM 750 O LYS A 48 0.850 -7.952 -4.782 1.00 0.00 O ATOM 751 CB LYS A 48 1.192 -9.454 -1.763 1.00 0.00 C ATOM 752 CG LYS A 48 2.302 -9.744 -0.731 1.00 0.00 C ATOM 753 CD LYS A 48 2.072 -11.109 -0.057 1.00 0.00 C ATOM 754 CE LYS A 48 3.172 -11.437 0.955 1.00 0.00 C ATOM 755 NZ LYS A 48 2.853 -12.716 1.617 1.00 0.00 N ATOM 0 H LYS A 48 0.682 -7.459 -0.415 1.00 0.00 H new ATOM 0 HA LYS A 48 2.218 -7.761 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.224 -9.604 -1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.266 -10.185 -2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.275 -9.734 -1.223 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.319 -8.958 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.105 -11.108 0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.035 -11.888 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.137 -11.504 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.252 -10.640 1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.597 -12.945 2.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.940 -12.635 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.797 -13.471 0.904 1.00 0.00 H new ATOM 768 N ALA A 49 -1.019 -7.937 -3.531 1.00 0.00 N ATOM 769 CA ALA A 49 -1.951 -7.711 -4.666 1.00 0.00 C ATOM 770 C ALA A 49 -1.867 -6.328 -5.410 1.00 0.00 C ATOM 771 O ALA A 49 -2.017 -6.292 -6.632 1.00 0.00 O ATOM 772 CB ALA A 49 -3.359 -7.986 -4.117 1.00 0.00 C ATOM 0 H ALA A 49 -1.489 -8.057 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.659 -8.389 -5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.094 -7.836 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.416 -9.014 -3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.568 -7.303 -3.293 1.00 0.00 H new ATOM 778 N LEU A 50 -1.609 -5.222 -4.702 1.00 0.00 N ATOM 779 CA LEU A 50 -1.156 -3.933 -5.287 1.00 0.00 C ATOM 780 C LEU A 50 0.130 -4.028 -6.201 1.00 0.00 C ATOM 781 O LEU A 50 0.089 -3.579 -7.349 1.00 0.00 O ATOM 782 CB LEU A 50 -0.913 -2.969 -4.086 1.00 0.00 C ATOM 783 CG LEU A 50 -2.028 -1.978 -3.717 1.00 0.00 C ATOM 784 CD1 LEU A 50 -3.284 -2.621 -3.143 1.00 0.00 C ATOM 785 CD2 LEU A 50 -1.468 -0.994 -2.667 1.00 0.00 C ATOM 0 H LEU A 50 -1.708 -5.187 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.928 -3.574 -5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.704 -3.578 -3.207 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.012 -2.394 -4.297 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.327 -1.490 -4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.016 -1.847 -2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.705 -3.312 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.031 -3.165 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.242 -0.279 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.150 -1.547 -1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.616 -0.460 -3.087 1.00 0.00 H new ATOM 797 N ALA A 51 1.228 -4.626 -5.710 1.00 0.00 N ATOM 798 CA ALA A 51 2.408 -4.962 -6.550 1.00 0.00 C ATOM 799 C ALA A 51 2.156 -5.930 -7.760 1.00 0.00 C ATOM 800 O ALA A 51 2.644 -5.653 -8.856 1.00 0.00 O ATOM 801 CB ALA A 51 3.477 -5.507 -5.589 1.00 0.00 C ATOM 0 H ALA A 51 1.331 -4.891 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 51 2.724 -4.053 -7.062 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.372 -5.772 -6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.726 -4.744 -4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.093 -6.392 -5.081 1.00 0.00 H new ATOM 807 N ARG A 52 1.375 -7.007 -7.577 1.00 0.00 N ATOM 808 CA ARG A 52 0.925 -7.893 -8.690 1.00 0.00 C ATOM 809 C ARG A 52 0.019 -7.243 -9.794 1.00 0.00 C ATOM 810 O ARG A 52 0.196 -7.573 -10.969 1.00 0.00 O ATOM 811 CB ARG A 52 0.280 -9.132 -8.016 1.00 0.00 C ATOM 812 CG ARG A 52 -0.216 -10.256 -8.942 1.00 0.00 C ATOM 813 CD ARG A 52 0.879 -10.932 -9.774 1.00 0.00 C ATOM 814 NE ARG A 52 0.273 -11.910 -10.711 1.00 0.00 N ATOM 815 CZ ARG A 52 -0.188 -11.634 -11.923 1.00 0.00 C ATOM 816 NH1 ARG A 52 -0.209 -10.446 -12.457 1.00 0.00 N ATOM 817 NH2 ARG A 52 -0.653 -12.617 -12.614 1.00 0.00 N ATOM 0 H ARG A 52 1.033 -7.297 -6.661 1.00 0.00 H new ATOM 0 HA ARG A 52 1.796 -8.156 -9.290 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.008 -9.559 -7.326 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.564 -8.790 -7.417 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.713 -11.014 -8.336 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.966 -9.846 -9.618 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.440 -10.181 -10.331 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.587 -11.436 -9.117 1.00 0.00 H new ATOM 0 HE ARG A 52 0.205 -12.878 -10.396 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.147 -9.646 -11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.581 -10.316 -13.398 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.656 -13.559 -12.223 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.019 -12.453 -13.552 1.00 0.00 H new ATOM 830 N LYS A 53 -0.918 -6.344 -9.448 1.00 0.00 N ATOM 831 CA LYS A 53 -1.616 -5.481 -10.455 1.00 0.00 C ATOM 832 C LYS A 53 -0.684 -4.459 -11.199 1.00 0.00 C ATOM 833 O LYS A 53 -0.773 -4.338 -12.421 1.00 0.00 O ATOM 834 CB LYS A 53 -2.817 -4.813 -9.728 1.00 0.00 C ATOM 835 CG LYS A 53 -3.935 -4.248 -10.627 1.00 0.00 C ATOM 836 CD LYS A 53 -3.701 -2.825 -11.160 1.00 0.00 C ATOM 837 CE LYS A 53 -4.850 -2.378 -12.077 1.00 0.00 C ATOM 838 NZ LYS A 53 -4.538 -1.063 -12.673 1.00 0.00 N ATOM 0 H LYS A 53 -1.219 -6.186 -8.486 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.970 -6.104 -11.277 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.259 -5.547 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.433 -4.002 -9.109 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.067 -4.918 -11.476 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.869 -4.258 -10.065 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.609 -2.132 -10.324 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.760 -2.790 -11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.006 -3.116 -12.864 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.778 -2.318 -11.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.252 -0.830 -13.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.545 -0.335 -11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.598 -1.097 -13.116 1.00 0.00 H new ATOM 851 N GLY A 54 0.175 -3.743 -10.460 1.00 0.00 N ATOM 852 CA GLY A 54 1.178 -2.812 -11.038 1.00 0.00 C ATOM 853 C GLY A 54 1.159 -1.357 -10.524 1.00 0.00 C ATOM 854 O GLY A 54 1.388 -0.440 -11.312 1.00 0.00 O ATOM 0 H GLY A 54 0.201 -3.787 -9.441 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.170 -3.224 -10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.038 -2.792 -12.119 1.00 0.00 H new ATOM 858 N VAL A 55 0.936 -1.154 -9.220 1.00 0.00 N ATOM 859 CA VAL A 55 0.811 0.210 -8.615 1.00 0.00 C ATOM 860 C VAL A 55 1.944 0.617 -7.594 1.00 0.00 C ATOM 861 O VAL A 55 2.077 1.799 -7.276 1.00 0.00 O ATOM 862 CB VAL A 55 -0.601 0.461 -7.987 1.00 0.00 C ATOM 863 CG1 VAL A 55 -1.752 0.243 -8.988 1.00 0.00 C ATOM 864 CG2 VAL A 55 -0.922 -0.343 -6.724 1.00 0.00 C ATOM 0 H VAL A 55 0.835 -1.913 -8.546 1.00 0.00 H new ATOM 0 HA VAL A 55 0.945 0.867 -9.474 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.532 1.510 -7.700 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.705 0.432 -8.494 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.637 0.927 -9.829 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.729 -0.785 -9.351 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.924 -0.090 -6.376 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.875 -1.408 -6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.197 -0.104 -5.946 1.00 0.00 H new ATOM 874 N ILE A 56 2.723 -0.334 -7.069 1.00 0.00 N ATOM 875 CA ILE A 56 3.843 -0.052 -6.135 1.00 0.00 C ATOM 876 C ILE A 56 5.106 -0.894 -6.527 1.00 0.00 C ATOM 877 O ILE A 56 5.039 -2.113 -6.720 1.00 0.00 O ATOM 878 CB ILE A 56 3.476 -0.238 -4.614 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.954 -1.641 -4.250 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.531 0.884 -4.134 1.00 0.00 C ATOM 881 CD1 ILE A 56 2.772 -1.908 -2.759 1.00 0.00 C ATOM 0 H ILE A 56 2.603 -1.326 -7.274 1.00 0.00 H new ATOM 0 HA ILE A 56 4.071 1.008 -6.244 1.00 0.00 H new ATOM 0 HB ILE A 56 4.415 -0.152 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.997 -1.794 -4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.645 -2.382 -4.652 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.292 0.733 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.020 1.850 -4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.613 0.862 -4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.401 -2.923 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.729 -1.795 -2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.055 -1.197 -2.347 1.00 0.00 H new ATOM 893 N GLU A 57 6.258 -0.228 -6.611 1.00 0.00 N ATOM 894 CA GLU A 57 7.563 -0.889 -6.863 1.00 0.00 C ATOM 895 C GLU A 57 8.283 -1.151 -5.498 1.00 0.00 C ATOM 896 O GLU A 57 8.584 -0.213 -4.751 1.00 0.00 O ATOM 897 CB GLU A 57 8.426 0.048 -7.739 1.00 0.00 C ATOM 898 CG GLU A 57 7.972 0.204 -9.204 1.00 0.00 C ATOM 899 CD GLU A 57 8.719 1.328 -9.907 1.00 0.00 C ATOM 900 OE1 GLU A 57 8.277 2.463 -10.041 1.00 0.00 O ATOM 901 OE2 GLU A 57 9.948 0.944 -10.344 1.00 0.00 O ATOM 0 H GLU A 57 6.325 0.785 -6.508 1.00 0.00 H new ATOM 0 HA GLU A 57 7.413 -1.840 -7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.441 1.035 -7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.451 -0.323 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.136 -0.732 -9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.901 0.404 -9.234 1.00 0.00 H new ATOM 909 N ILE A 58 8.552 -2.422 -5.185 1.00 0.00 N ATOM 910 CA ILE A 58 9.171 -2.813 -3.882 1.00 0.00 C ATOM 911 C ILE A 58 10.733 -2.663 -3.981 1.00 0.00 C ATOM 912 O ILE A 58 11.428 -3.505 -4.562 1.00 0.00 O ATOM 913 CB ILE A 58 8.732 -4.257 -3.454 1.00 0.00 C ATOM 914 CG1 ILE A 58 7.202 -4.538 -3.479 1.00 0.00 C ATOM 915 CG2 ILE A 58 9.285 -4.638 -2.056 1.00 0.00 C ATOM 916 CD1 ILE A 58 6.308 -3.620 -2.651 1.00 0.00 C ATOM 0 H ILE A 58 8.357 -3.208 -5.805 1.00 0.00 H new ATOM 0 HA ILE A 58 8.816 -2.145 -3.097 1.00 0.00 H new ATOM 0 HB ILE A 58 9.172 -4.883 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.867 -4.490 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.041 -5.561 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 58 8.958 -5.645 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.374 -4.604 -2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.912 -3.933 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.268 -3.929 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.596 -3.681 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.419 -2.593 -2.999 1.00 0.00 H new ATOM 928 N VAL A 59 11.262 -1.585 -3.394 1.00 0.00 N ATOM 929 CA VAL A 59 12.726 -1.281 -3.385 1.00 0.00 C ATOM 930 C VAL A 59 13.415 -2.184 -2.302 1.00 0.00 C ATOM 931 O VAL A 59 13.421 -1.880 -1.105 1.00 0.00 O ATOM 932 CB VAL A 59 12.958 0.249 -3.148 1.00 0.00 C ATOM 933 CG1 VAL A 59 14.456 0.633 -3.144 1.00 0.00 C ATOM 934 CG2 VAL A 59 12.288 1.147 -4.216 1.00 0.00 C ATOM 0 H VAL A 59 10.700 -0.887 -2.906 1.00 0.00 H new ATOM 0 HA VAL A 59 13.179 -1.510 -4.350 1.00 0.00 H new ATOM 0 HB VAL A 59 12.507 0.422 -2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.556 1.705 -2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.968 0.091 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.901 0.374 -4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.490 2.194 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.690 0.904 -5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.212 0.976 -4.212 1.00 0.00 H new ATOM 944 N SER A 60 13.936 -3.329 -2.754 1.00 0.00 N ATOM 945 CA SER A 60 14.244 -4.473 -1.858 1.00 0.00 C ATOM 946 C SER A 60 15.643 -4.358 -1.185 1.00 0.00 C ATOM 947 O SER A 60 16.682 -4.629 -1.792 1.00 0.00 O ATOM 948 CB SER A 60 14.084 -5.763 -2.699 1.00 0.00 C ATOM 949 OG SER A 60 12.729 -5.945 -3.126 1.00 0.00 O ATOM 0 H SER A 60 14.157 -3.499 -3.735 1.00 0.00 H new ATOM 0 HA SER A 60 13.551 -4.486 -1.017 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.738 -5.715 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.400 -6.624 -2.110 1.00 0.00 H new ATOM 0 HG SER A 60 12.442 -5.165 -3.645 1.00 0.00 H new ATOM 955 N GLY A 61 15.640 -3.921 0.077 1.00 0.00 N ATOM 956 CA GLY A 61 16.886 -3.600 0.816 1.00 0.00 C ATOM 957 C GLY A 61 16.641 -2.896 2.161 1.00 0.00 C ATOM 958 O GLY A 61 16.982 -3.436 3.214 1.00 0.00 O ATOM 0 H GLY A 61 14.788 -3.777 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 61 17.441 -4.521 0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 61 17.515 -2.965 0.192 1.00 0.00 H new ATOM 962 N ALA A 62 16.047 -1.696 2.121 1.00 0.00 N ATOM 963 CA ALA A 62 15.537 -1.022 3.339 1.00 0.00 C ATOM 964 C ALA A 62 14.142 -1.560 3.803 1.00 0.00 C ATOM 965 O ALA A 62 13.263 -1.830 2.980 1.00 0.00 O ATOM 966 CB ALA A 62 15.459 0.475 2.993 1.00 0.00 C ATOM 0 H ALA A 62 15.904 -1.166 1.261 1.00 0.00 H new ATOM 0 HA ALA A 62 16.205 -1.217 4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 62 15.088 1.029 3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 62 16.451 0.839 2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.782 0.619 2.151 1.00 0.00 H new ATOM 972 N SER A 63 13.938 -1.668 5.125 1.00 0.00 N ATOM 973 CA SER A 63 12.669 -2.203 5.707 1.00 0.00 C ATOM 974 C SER A 63 11.337 -1.469 5.322 1.00 0.00 C ATOM 975 O SER A 63 10.353 -2.136 4.999 1.00 0.00 O ATOM 976 CB SER A 63 12.821 -2.274 7.251 1.00 0.00 C ATOM 977 OG SER A 63 13.899 -3.127 7.640 1.00 0.00 O ATOM 0 H SER A 63 14.629 -1.395 5.823 1.00 0.00 H new ATOM 0 HA SER A 63 12.546 -3.187 5.254 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.990 -1.272 7.646 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.893 -2.638 7.691 1.00 0.00 H new ATOM 0 HG SER A 63 13.965 -3.146 8.618 1.00 0.00 H new ATOM 983 N ARG A 64 11.320 -0.128 5.325 1.00 0.00 N ATOM 984 CA ARG A 64 10.256 0.658 4.644 1.00 0.00 C ATOM 985 C ARG A 64 10.779 1.162 3.247 1.00 0.00 C ATOM 986 O ARG A 64 11.178 2.318 3.085 1.00 0.00 O ATOM 987 CB ARG A 64 9.803 1.815 5.568 1.00 0.00 C ATOM 988 CG ARG A 64 9.049 1.356 6.833 1.00 0.00 C ATOM 989 CD ARG A 64 8.466 2.514 7.655 1.00 0.00 C ATOM 990 NE ARG A 64 9.524 3.213 8.420 1.00 0.00 N ATOM 991 CZ ARG A 64 9.320 4.153 9.325 1.00 0.00 C ATOM 992 NH1 ARG A 64 8.147 4.599 9.673 1.00 0.00 N ATOM 993 NH2 ARG A 64 10.358 4.658 9.897 1.00 0.00 N ATOM 0 H ARG A 64 12.026 0.444 5.789 1.00 0.00 H new ATOM 0 HA ARG A 64 9.383 0.035 4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.679 2.389 5.869 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.161 2.488 5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.241 0.686 6.541 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.728 0.781 7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.967 3.220 6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.710 2.132 8.341 1.00 0.00 H new ATOM 0 HE ARG A 64 10.490 2.946 8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.307 4.219 9.237 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.068 5.329 10.381 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.290 4.329 9.645 1.00 0.00 H new ATOM 0 HH22 ARG A 64 10.248 5.387 10.602 1.00 0.00 H new ATOM 1006 N GLY A 65 10.776 0.262 2.252 1.00 0.00 N ATOM 1007 CA GLY A 65 11.337 0.540 0.904 1.00 0.00 C ATOM 1008 C GLY A 65 10.334 0.305 -0.232 1.00 0.00 C ATOM 1009 O GLY A 65 10.272 -0.791 -0.787 1.00 0.00 O ATOM 0 H GLY A 65 10.389 -0.677 2.349 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.681 1.574 0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 65 12.210 -0.092 0.744 1.00 0.00 H new ATOM 1013 N ILE A 66 9.534 1.322 -0.563 1.00 0.00 N ATOM 1014 CA ILE A 66 8.449 1.205 -1.584 1.00 0.00 C ATOM 1015 C ILE A 66 8.318 2.599 -2.319 1.00 0.00 C ATOM 1016 O ILE A 66 8.166 3.636 -1.667 1.00 0.00 O ATOM 1017 CB ILE A 66 7.051 0.778 -0.970 1.00 0.00 C ATOM 1018 CG1 ILE A 66 7.105 -0.521 -0.119 1.00 0.00 C ATOM 1019 CG2 ILE A 66 6.014 0.578 -2.103 1.00 0.00 C ATOM 1020 CD1 ILE A 66 5.844 -0.849 0.681 1.00 0.00 C ATOM 0 H ILE A 66 9.606 2.249 -0.144 1.00 0.00 H new ATOM 0 HA ILE A 66 8.723 0.412 -2.280 1.00 0.00 H new ATOM 0 HB ILE A 66 6.763 1.591 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.319 -1.359 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.942 -0.443 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.057 0.285 -1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.893 1.510 -2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.361 -0.202 -2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.996 -1.775 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.635 -0.038 1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.002 -0.968 -0.000 1.00 0.00 H new ATOM 1032 N ARG A 67 8.326 2.593 -3.658 1.00 0.00 N ATOM 1033 CA ARG A 67 8.013 3.800 -4.486 1.00 0.00 C ATOM 1034 C ARG A 67 6.692 3.642 -5.320 1.00 0.00 C ATOM 1035 O ARG A 67 6.210 2.534 -5.579 1.00 0.00 O ATOM 1036 CB ARG A 67 9.267 4.218 -5.294 1.00 0.00 C ATOM 1037 CG ARG A 67 9.754 3.249 -6.378 1.00 0.00 C ATOM 1038 CD ARG A 67 11.104 3.659 -6.981 1.00 0.00 C ATOM 1039 NE ARG A 67 11.540 2.570 -7.888 1.00 0.00 N ATOM 1040 CZ ARG A 67 12.703 2.504 -8.509 1.00 0.00 C ATOM 1041 NH1 ARG A 67 13.632 3.410 -8.431 1.00 0.00 N ATOM 1042 NH2 ARG A 67 12.924 1.464 -9.239 1.00 0.00 N ATOM 0 H ARG A 67 8.546 1.764 -4.210 1.00 0.00 H new ATOM 0 HA ARG A 67 7.780 4.638 -3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.060 5.178 -5.767 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.085 4.378 -4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.840 2.249 -5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.009 3.195 -7.171 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.010 4.598 -7.527 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.841 3.820 -6.195 1.00 0.00 H new ATOM 0 HE ARG A 67 10.884 1.805 -8.046 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.486 4.242 -7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.507 3.289 -8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.214 0.736 -9.318 1.00 0.00 H new ATOM 0 HH22 ARG A 67 13.809 1.370 -9.738 1.00 0.00 H new ATOM 1055 N LEU A 68 6.079 4.773 -5.686 1.00 0.00 N ATOM 1056 CA LEU A 68 4.660 4.818 -6.136 1.00 0.00 C ATOM 1057 C LEU A 68 4.496 4.915 -7.697 1.00 0.00 C ATOM 1058 O LEU A 68 4.957 5.872 -8.325 1.00 0.00 O ATOM 1059 CB LEU A 68 3.996 6.078 -5.494 1.00 0.00 C ATOM 1060 CG LEU A 68 3.843 6.086 -3.956 1.00 0.00 C ATOM 1061 CD1 LEU A 68 3.579 7.526 -3.484 1.00 0.00 C ATOM 1062 CD2 LEU A 68 2.690 5.194 -3.488 1.00 0.00 C ATOM 0 H LEU A 68 6.538 5.684 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 68 4.189 3.886 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.581 6.952 -5.780 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.006 6.200 -5.933 1.00 0.00 H new ATOM 0 HG LEU A 68 4.767 5.696 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.470 7.539 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.416 8.163 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.664 7.898 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.620 5.230 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.756 5.548 -3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.872 4.167 -3.806 1.00 0.00 H new ATOM 1074 N LEU A 69 3.760 3.969 -8.290 1.00 0.00 N ATOM 1075 CA LEU A 69 3.213 4.106 -9.667 1.00 0.00 C ATOM 1076 C LEU A 69 1.705 4.540 -9.530 1.00 0.00 C ATOM 1077 O LEU A 69 0.839 3.771 -9.101 1.00 0.00 O ATOM 1078 CB LEU A 69 3.340 2.766 -10.426 1.00 0.00 C ATOM 1079 CG LEU A 69 4.767 2.309 -10.795 1.00 0.00 C ATOM 1080 CD1 LEU A 69 4.710 0.853 -11.294 1.00 0.00 C ATOM 1081 CD2 LEU A 69 5.405 3.180 -11.881 1.00 0.00 C ATOM 0 H LEU A 69 3.521 3.085 -7.841 1.00 0.00 H new ATOM 0 HA LEU A 69 3.767 4.852 -10.236 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.880 1.986 -9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.758 2.839 -11.345 1.00 0.00 H new ATOM 0 HG LEU A 69 5.382 2.400 -9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.714 0.519 -11.558 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.310 0.214 -10.507 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.066 0.794 -12.171 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.407 2.812 -12.100 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.797 3.138 -12.785 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.465 4.211 -11.532 1.00 0.00 H new ATOM 1093 N GLN A 70 1.449 5.816 -9.825 1.00 0.00 N ATOM 1094 CA GLN A 70 0.241 6.529 -9.328 1.00 0.00 C ATOM 1095 C GLN A 70 -1.139 6.126 -9.957 1.00 0.00 C ATOM 1096 O GLN A 70 -1.598 6.667 -10.966 1.00 0.00 O ATOM 1097 CB GLN A 70 0.493 8.052 -9.491 1.00 0.00 C ATOM 1098 CG GLN A 70 1.507 8.671 -8.501 1.00 0.00 C ATOM 1099 CD GLN A 70 0.980 8.821 -7.080 1.00 0.00 C ATOM 1100 OE1 GLN A 70 1.055 7.916 -6.257 1.00 0.00 O ATOM 1101 NE2 GLN A 70 0.388 9.943 -6.761 1.00 0.00 N ATOM 0 H GLN A 70 2.058 6.391 -10.408 1.00 0.00 H new ATOM 0 HA GLN A 70 0.124 6.225 -8.288 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.844 8.237 -10.506 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.458 8.573 -9.382 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.403 8.051 -8.481 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.807 9.652 -8.871 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.324 10.698 -7.444 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.010 10.063 -5.829 1.00 0.00 H new ATOM 1110 N GLU A 71 -1.829 5.241 -9.239 1.00 0.00 N ATOM 1111 CA GLU A 71 -3.263 4.911 -9.473 1.00 0.00 C ATOM 1112 C GLU A 71 -4.200 5.944 -8.749 1.00 0.00 C ATOM 1113 O GLU A 71 -4.710 5.697 -7.651 1.00 0.00 O ATOM 1114 CB GLU A 71 -3.445 3.460 -8.961 1.00 0.00 C ATOM 1115 CG GLU A 71 -4.795 2.790 -9.283 1.00 0.00 C ATOM 1116 CD GLU A 71 -4.825 2.008 -10.583 1.00 0.00 C ATOM 1117 OE1 GLU A 71 -4.979 2.516 -11.689 1.00 0.00 O ATOM 1118 OE2 GLU A 71 -4.664 0.671 -10.380 1.00 0.00 O ATOM 0 H GLU A 71 -1.417 4.719 -8.466 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.539 4.975 -10.526 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.649 2.846 -9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.311 3.459 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.055 2.118 -8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.566 3.559 -9.321 1.00 0.00 H new ATOM 1126 N GLU A 72 -4.388 7.109 -9.379 1.00 0.00 N ATOM 1127 CA GLU A 72 -5.087 8.265 -8.761 1.00 0.00 C ATOM 1128 C GLU A 72 -6.294 8.736 -9.610 1.00 0.00 C ATOM 1129 O GLU A 72 -6.237 9.057 -10.796 1.00 0.00 O ATOM 1130 CB GLU A 72 -4.075 9.392 -8.433 1.00 0.00 C ATOM 1131 CG GLU A 72 -3.345 10.069 -9.607 1.00 0.00 C ATOM 1132 CD GLU A 72 -2.422 11.196 -9.173 1.00 0.00 C ATOM 1133 OE1 GLU A 72 -1.202 11.099 -9.099 1.00 0.00 O ATOM 1134 OE2 GLU A 72 -3.100 12.342 -8.890 1.00 0.00 O ATOM 0 H GLU A 72 -4.064 7.287 -10.330 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.521 7.946 -7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.605 10.166 -7.878 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.320 8.979 -7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.764 9.320 -10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.083 10.462 -10.306 1.00 0.00 H new TER 1142 GLU A 72