USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 630 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 9 MET CE :methyl -174:sc= 0 (180deg=-0.0209) USER MOD Single : A 14 LYS NZ :NH3+ -169:sc= 1.09 (180deg=1.04) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0678 K(o=-0.068,f=-1.2) USER MOD Single : A 23 THR OG1 : rot -138:sc= -0.553 USER MOD Single : A 38 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.053) USER MOD Single : A 41 MET CE :methyl -131:sc= -0.29 (180deg=-1.94) USER MOD Single : A 44 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.13) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 49 HIS : no HD1:sc= -0.693 X(o=-0.69,f=-0.84) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= -0.0265 (180deg=-0.245) USER MOD Single : A 58 ASN : amide:sc= -7.58! C(o=-7.6!,f=-8.9!) USER MOD Single : A 60 GLN : amide:sc=-0.00462 K(o=-0.0046,f=-1.2) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.26 K(o=-2.3,f=-3.3!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.416 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -0.943 -9.618 -10.357 1.00 0.00 N ATOM 60 CA GLY A 7 -1.644 -8.895 -9.312 1.00 0.00 C ATOM 61 C GLY A 7 -1.668 -7.400 -9.557 1.00 0.00 C ATOM 62 O GLY A 7 -2.559 -6.890 -10.237 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.667 -9.265 -9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.166 -9.095 -8.353 1.00 0.00 H new ATOM 66 N ARG A 8 -0.688 -6.695 -9.002 1.00 0.00 N ATOM 67 CA ARG A 8 -0.601 -5.248 -9.162 1.00 0.00 C ATOM 68 C ARG A 8 0.803 -4.748 -8.840 1.00 0.00 C ATOM 69 O ARG A 8 1.204 -4.700 -7.677 1.00 0.00 O ATOM 70 CB ARG A 8 -1.622 -4.552 -8.260 1.00 0.00 C ATOM 71 CG ARG A 8 -1.315 -3.084 -8.012 1.00 0.00 C ATOM 72 CD ARG A 8 -1.551 -2.247 -9.259 1.00 0.00 C ATOM 73 NE ARG A 8 -2.974 -2.035 -9.514 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.445 -1.061 -10.284 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.612 -0.214 -10.872 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.753 -0.934 -10.469 1.00 0.00 N ATOM 0 H ARG A 8 0.057 -7.102 -8.437 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.822 -5.009 -10.202 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.610 -4.636 -8.712 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.663 -5.072 -7.303 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.940 -2.713 -7.200 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.279 -2.977 -7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.055 -1.283 -9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.098 -2.741 -10.119 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.642 -2.670 -9.077 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.606 -0.309 -10.734 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.977 0.533 -11.463 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.397 -1.585 -10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.114 -0.186 -11.061 1.00 0.00 H new ATOM 90 N MET A 9 1.547 -4.377 -9.877 1.00 0.00 N ATOM 91 CA MET A 9 2.907 -3.880 -9.703 1.00 0.00 C ATOM 92 C MET A 9 2.967 -2.372 -9.926 1.00 0.00 C ATOM 93 O MET A 9 2.804 -1.894 -11.049 1.00 0.00 O ATOM 94 CB MET A 9 3.859 -4.589 -10.668 1.00 0.00 C ATOM 95 CG MET A 9 4.069 -6.059 -10.345 1.00 0.00 C ATOM 96 SD MET A 9 5.668 -6.673 -10.907 1.00 0.00 S ATOM 97 CE MET A 9 6.065 -7.831 -9.599 1.00 0.00 C ATOM 0 H MET A 9 1.231 -4.411 -10.846 1.00 0.00 H new ATOM 0 HA MET A 9 3.216 -4.090 -8.679 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.468 -4.501 -11.682 1.00 0.00 H new ATOM 0 HB3 MET A 9 4.823 -4.081 -10.653 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.986 -6.206 -9.268 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.276 -6.646 -10.808 1.00 0.00 H new ATOM 0 HE1 MET A 9 7.074 -8.215 -9.747 1.00 0.00 H new ATOM 0 HE2 MET A 9 6.007 -7.325 -8.635 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.356 -8.658 -9.618 1.00 0.00 H new ATOM 107 N VAL A 10 3.203 -1.628 -8.850 1.00 0.00 N ATOM 108 CA VAL A 10 3.286 -0.175 -8.929 1.00 0.00 C ATOM 109 C VAL A 10 4.722 0.305 -8.749 1.00 0.00 C ATOM 110 O VAL A 10 5.360 0.019 -7.737 1.00 0.00 O ATOM 111 CB VAL A 10 2.395 0.497 -7.867 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.463 2.011 -7.993 1.00 0.00 C ATOM 113 CG2 VAL A 10 0.960 0.008 -7.990 1.00 0.00 C ATOM 0 H VAL A 10 3.340 -2.008 -7.913 1.00 0.00 H new ATOM 0 HA VAL A 10 2.933 0.108 -9.921 1.00 0.00 H new ATOM 0 HB VAL A 10 2.766 0.222 -6.880 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.827 2.468 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.492 2.342 -7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.119 2.310 -8.983 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.344 0.493 -7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.576 0.252 -8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.930 -1.072 -7.845 1.00 0.00 H new ATOM 123 N GLY A 11 5.224 1.037 -9.739 1.00 0.00 N ATOM 124 CA GLY A 11 6.582 1.545 -9.670 1.00 0.00 C ATOM 125 C GLY A 11 6.648 2.946 -9.095 1.00 0.00 C ATOM 126 O GLY A 11 5.970 3.854 -9.575 1.00 0.00 O ATOM 0 H GLY A 11 4.715 1.287 -10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.186 0.876 -9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.018 1.545 -10.669 1.00 0.00 H new ATOM 130 N ILE A 12 7.465 3.121 -8.062 1.00 0.00 N ATOM 131 CA ILE A 12 7.617 4.421 -7.420 1.00 0.00 C ATOM 132 C ILE A 12 9.078 4.856 -7.396 1.00 0.00 C ATOM 133 O ILE A 12 9.964 4.070 -7.060 1.00 0.00 O ATOM 134 CB ILE A 12 7.074 4.404 -5.979 1.00 0.00 C ATOM 135 CG1 ILE A 12 5.648 3.848 -5.954 1.00 0.00 C ATOM 136 CG2 ILE A 12 7.112 5.803 -5.382 1.00 0.00 C ATOM 137 CD1 ILE A 12 5.590 2.339 -5.876 1.00 0.00 C ATOM 0 H ILE A 12 8.032 2.379 -7.652 1.00 0.00 H new ATOM 0 HA ILE A 12 7.039 5.133 -8.009 1.00 0.00 H new ATOM 0 HB ILE A 12 7.708 3.755 -5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.117 4.269 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.122 4.178 -6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.725 5.775 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.140 6.166 -5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.498 6.473 -5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.549 2.015 -5.862 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.092 1.910 -6.743 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.087 2.002 -4.966 1.00 0.00 H new ATOM 149 N ARG A 13 9.322 6.113 -7.752 1.00 0.00 N ATOM 150 CA ARG A 13 10.677 6.652 -7.770 1.00 0.00 C ATOM 151 C ARG A 13 10.961 7.450 -6.501 1.00 0.00 C ATOM 152 O ARG A 13 11.424 8.589 -6.561 1.00 0.00 O ATOM 153 CB ARG A 13 10.878 7.540 -8.999 1.00 0.00 C ATOM 154 CG ARG A 13 11.233 6.766 -10.258 1.00 0.00 C ATOM 155 CD ARG A 13 12.735 6.568 -10.386 1.00 0.00 C ATOM 156 NE ARG A 13 13.137 6.303 -11.764 1.00 0.00 N ATOM 157 CZ ARG A 13 14.361 6.530 -12.230 1.00 0.00 C ATOM 158 NH1 ARG A 13 15.297 7.023 -11.430 1.00 0.00 N ATOM 159 NH2 ARG A 13 14.650 6.263 -13.497 1.00 0.00 N ATOM 0 H ARG A 13 8.600 6.777 -8.032 1.00 0.00 H new ATOM 0 HA ARG A 13 11.374 5.815 -7.816 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.966 8.110 -9.178 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.669 8.261 -8.791 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.737 5.795 -10.241 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.860 7.300 -11.132 1.00 0.00 H new ATOM 0 HD2 ARG A 13 13.250 7.457 -10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.046 5.738 -9.752 1.00 0.00 H new ATOM 0 HE ARG A 13 12.440 5.923 -12.405 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.078 7.229 -10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.236 7.196 -11.790 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.933 5.883 -14.115 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.590 6.438 -13.853 1.00 0.00 H new ATOM 173 N LYS A 14 10.680 6.844 -5.352 1.00 0.00 N ATOM 174 CA LYS A 14 10.906 7.496 -4.067 1.00 0.00 C ATOM 175 C LYS A 14 12.357 7.337 -3.624 1.00 0.00 C ATOM 176 O LYS A 14 12.989 6.313 -3.885 1.00 0.00 O ATOM 177 CB LYS A 14 9.971 6.913 -3.005 1.00 0.00 C ATOM 178 CG LYS A 14 10.475 5.616 -2.397 1.00 0.00 C ATOM 179 CD LYS A 14 9.724 5.269 -1.122 1.00 0.00 C ATOM 180 CE LYS A 14 10.130 6.176 0.029 1.00 0.00 C ATOM 181 NZ LYS A 14 11.252 5.600 0.820 1.00 0.00 N ATOM 0 H LYS A 14 10.295 5.902 -5.284 1.00 0.00 H new ATOM 0 HA LYS A 14 10.695 8.559 -4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.834 7.647 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.992 6.739 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.362 4.807 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.540 5.704 -2.181 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.651 5.357 -1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.920 4.231 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.424 7.150 -0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.273 6.340 0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.376 6.147 1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.037 4.611 1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.128 5.639 0.260 1.00 0.00 H new ATOM 195 N THR A 15 12.881 8.358 -2.952 1.00 0.00 N ATOM 196 CA THR A 15 14.257 8.331 -2.473 1.00 0.00 C ATOM 197 C THR A 15 14.322 7.900 -1.012 1.00 0.00 C ATOM 198 O THR A 15 13.397 8.148 -0.240 1.00 0.00 O ATOM 199 CB THR A 15 14.929 9.709 -2.619 1.00 0.00 C ATOM 200 OG1 THR A 15 14.735 10.211 -3.947 1.00 0.00 O ATOM 201 CG2 THR A 15 16.418 9.620 -2.319 1.00 0.00 C ATOM 0 H THR A 15 12.373 9.213 -2.728 1.00 0.00 H new ATOM 0 HA THR A 15 14.792 7.607 -3.087 1.00 0.00 H new ATOM 0 HB THR A 15 14.470 10.390 -1.902 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.164 11.088 -4.031 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.871 10.605 -2.429 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.563 9.266 -1.298 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.888 8.925 -3.015 1.00 0.00 H new ATOM 209 N ALA A 16 15.422 7.253 -0.640 1.00 0.00 N ATOM 210 CA ALA A 16 15.608 6.789 0.729 1.00 0.00 C ATOM 211 C ALA A 16 15.228 7.872 1.733 1.00 0.00 C ATOM 212 O ALA A 16 15.045 9.033 1.368 1.00 0.00 O ATOM 213 CB ALA A 16 17.049 6.349 0.946 1.00 0.00 C ATOM 0 H ALA A 16 16.197 7.039 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 16 14.950 5.935 0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.174 6.005 1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.289 5.537 0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.718 7.190 0.761 1.00 0.00 H new ATOM 219 N GLY A 17 15.109 7.485 2.999 1.00 0.00 N ATOM 220 CA GLY A 17 14.750 8.435 4.035 1.00 0.00 C ATOM 221 C GLY A 17 13.455 9.163 3.731 1.00 0.00 C ATOM 222 O GLY A 17 13.355 10.372 3.932 1.00 0.00 O ATOM 0 H GLY A 17 15.255 6.530 3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.654 7.912 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.554 9.162 4.151 1.00 0.00 H new ATOM 226 N GLU A 18 12.464 8.424 3.244 1.00 0.00 N ATOM 227 CA GLU A 18 11.170 9.008 2.909 1.00 0.00 C ATOM 228 C GLU A 18 10.032 8.195 3.519 1.00 0.00 C ATOM 229 O GLU A 18 9.834 7.029 3.176 1.00 0.00 O ATOM 230 CB GLU A 18 10.999 9.087 1.390 1.00 0.00 C ATOM 231 CG GLU A 18 11.564 10.357 0.779 1.00 0.00 C ATOM 232 CD GLU A 18 10.690 11.569 1.039 1.00 0.00 C ATOM 233 OE1 GLU A 18 10.811 12.164 2.130 1.00 0.00 O ATOM 234 OE2 GLU A 18 9.885 11.922 0.151 1.00 0.00 O ATOM 0 H GLU A 18 12.532 7.421 3.073 1.00 0.00 H new ATOM 0 HA GLU A 18 11.136 10.015 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.487 8.226 0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.938 9.018 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.560 10.538 1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.677 10.219 -0.296 1.00 0.00 H new ATOM 241 N HIS A 19 9.286 8.820 4.425 1.00 0.00 N ATOM 242 CA HIS A 19 8.167 8.155 5.083 1.00 0.00 C ATOM 243 C HIS A 19 6.877 8.351 4.293 1.00 0.00 C ATOM 244 O HIS A 19 6.500 9.479 3.970 1.00 0.00 O ATOM 245 CB HIS A 19 7.994 8.690 6.505 1.00 0.00 C ATOM 246 CG HIS A 19 7.319 7.724 7.430 1.00 0.00 C ATOM 247 ND1 HIS A 19 8.008 6.924 8.316 1.00 0.00 N ATOM 248 CD2 HIS A 19 6.008 7.434 7.605 1.00 0.00 C ATOM 249 CE1 HIS A 19 7.151 6.182 8.995 1.00 0.00 C ATOM 250 NE2 HIS A 19 5.931 6.473 8.582 1.00 0.00 N ATOM 0 H HIS A 19 9.436 9.785 4.720 1.00 0.00 H new ATOM 0 HA HIS A 19 8.386 7.088 5.128 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.973 8.945 6.910 1.00 0.00 H new ATOM 0 HB3 HIS A 19 7.414 9.612 6.469 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.178 7.876 7.075 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.405 5.461 9.758 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.071 6.052 8.932 1.00 0.00 H new ATOM 259 N LEU A 20 6.205 7.248 3.983 1.00 0.00 N ATOM 260 CA LEU A 20 4.957 7.299 3.229 1.00 0.00 C ATOM 261 C LEU A 20 3.790 7.685 4.133 1.00 0.00 C ATOM 262 O LEU A 20 3.024 8.595 3.820 1.00 0.00 O ATOM 263 CB LEU A 20 4.681 5.946 2.571 1.00 0.00 C ATOM 264 CG LEU A 20 5.266 5.748 1.172 1.00 0.00 C ATOM 265 CD1 LEU A 20 6.749 6.087 1.162 1.00 0.00 C ATOM 266 CD2 LEU A 20 5.040 4.321 0.696 1.00 0.00 C ATOM 0 H LEU A 20 6.503 6.308 4.242 1.00 0.00 H new ATOM 0 HA LEU A 20 5.060 8.059 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.071 5.162 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.602 5.805 2.515 1.00 0.00 H new ATOM 0 HG LEU A 20 4.755 6.423 0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.149 5.940 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.887 7.127 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.276 5.437 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.463 4.199 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.524 3.627 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.970 4.113 0.665 1.00 0.00 H new ATOM 278 N GLY A 21 3.663 6.987 5.258 1.00 0.00 N ATOM 279 CA GLY A 21 2.589 7.273 6.191 1.00 0.00 C ATOM 280 C GLY A 21 1.409 6.337 6.021 1.00 0.00 C ATOM 281 O GLY A 21 0.370 6.726 5.487 1.00 0.00 O ATOM 0 H GLY A 21 4.285 6.229 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.967 7.195 7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.256 8.302 6.053 1.00 0.00 H new ATOM 285 N VAL A 22 1.569 5.098 6.475 1.00 0.00 N ATOM 286 CA VAL A 22 0.508 4.103 6.371 1.00 0.00 C ATOM 287 C VAL A 22 0.647 3.037 7.452 1.00 0.00 C ATOM 288 O VAL A 22 1.741 2.790 7.961 1.00 0.00 O ATOM 289 CB VAL A 22 0.512 3.421 4.990 1.00 0.00 C ATOM 290 CG1 VAL A 22 0.158 4.421 3.900 1.00 0.00 C ATOM 291 CG2 VAL A 22 1.864 2.779 4.717 1.00 0.00 C ATOM 0 H VAL A 22 2.423 4.759 6.918 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.436 4.631 6.505 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.244 2.636 4.989 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.166 3.921 2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.835 4.830 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.889 5.230 3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.849 2.302 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.640 3.544 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.073 2.031 5.482 1.00 0.00 H new ATOM 301 N THR A 23 -0.471 2.405 7.800 1.00 0.00 N ATOM 302 CA THR A 23 -0.475 1.365 8.821 1.00 0.00 C ATOM 303 C THR A 23 -1.038 0.059 8.273 1.00 0.00 C ATOM 304 O THR A 23 -2.049 0.053 7.570 1.00 0.00 O ATOM 305 CB THR A 23 -1.298 1.790 10.051 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.472 2.497 9.635 1.00 0.00 O ATOM 307 CG2 THR A 23 -0.472 2.669 10.978 1.00 0.00 C ATOM 0 H THR A 23 -1.385 2.596 7.389 1.00 0.00 H new ATOM 0 HA THR A 23 0.562 1.212 9.122 1.00 0.00 H new ATOM 0 HB THR A 23 -1.589 0.891 10.594 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.614 3.269 10.222 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.075 2.957 11.839 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.405 2.117 11.317 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.154 3.564 10.443 1.00 0.00 H new ATOM 315 N PHE A 24 -0.377 -1.047 8.599 1.00 0.00 N ATOM 316 CA PHE A 24 -0.812 -2.361 8.139 1.00 0.00 C ATOM 317 C PHE A 24 -1.189 -3.253 9.318 1.00 0.00 C ATOM 318 O PHE A 24 -0.613 -3.145 10.401 1.00 0.00 O ATOM 319 CB PHE A 24 0.290 -3.026 7.313 1.00 0.00 C ATOM 320 CG PHE A 24 0.751 -2.196 6.149 1.00 0.00 C ATOM 321 CD1 PHE A 24 1.650 -1.159 6.334 1.00 0.00 C ATOM 322 CD2 PHE A 24 0.285 -2.454 4.870 1.00 0.00 C ATOM 323 CE1 PHE A 24 2.077 -0.393 5.265 1.00 0.00 C ATOM 324 CE2 PHE A 24 0.708 -1.692 3.797 1.00 0.00 C ATOM 325 CZ PHE A 24 1.604 -0.660 3.995 1.00 0.00 C ATOM 0 H PHE A 24 0.461 -1.060 9.180 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.694 -2.225 7.513 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.142 -3.235 7.960 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.073 -3.985 6.944 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.022 -0.946 7.325 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.416 -3.259 4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.779 0.412 5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.338 -1.904 2.805 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.934 -0.063 3.158 1.00 0.00 H new ATOM 335 N ARG A 25 -2.160 -4.134 9.100 1.00 0.00 N ATOM 336 CA ARG A 25 -2.615 -5.043 10.144 1.00 0.00 C ATOM 337 C ARG A 25 -2.519 -6.494 9.681 1.00 0.00 C ATOM 338 O ARG A 25 -2.743 -6.799 8.510 1.00 0.00 O ATOM 339 CB ARG A 25 -4.056 -4.718 10.541 1.00 0.00 C ATOM 340 CG ARG A 25 -5.067 -4.986 9.438 1.00 0.00 C ATOM 341 CD ARG A 25 -6.423 -4.382 9.766 1.00 0.00 C ATOM 342 NE ARG A 25 -7.359 -4.497 8.651 1.00 0.00 N ATOM 343 CZ ARG A 25 -8.629 -4.115 8.714 1.00 0.00 C ATOM 344 NH1 ARG A 25 -9.114 -3.595 9.834 1.00 0.00 N ATOM 345 NH2 ARG A 25 -9.418 -4.252 7.656 1.00 0.00 N ATOM 0 H ARG A 25 -2.646 -4.237 8.209 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.968 -4.912 11.012 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.324 -5.307 11.418 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.116 -3.669 10.830 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.701 -4.572 8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.172 -6.061 9.293 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.839 -4.880 10.641 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.298 -3.331 10.027 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.018 -4.893 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.511 -3.488 10.650 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.090 -3.302 9.880 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.049 -4.651 6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.393 -3.958 7.706 1.00 0.00 H new ATOM 359 N VAL A 26 -2.184 -7.385 10.609 1.00 0.00 N ATOM 360 CA VAL A 26 -2.058 -8.804 10.297 1.00 0.00 C ATOM 361 C VAL A 26 -3.352 -9.550 10.601 1.00 0.00 C ATOM 362 O VAL A 26 -3.726 -9.716 11.762 1.00 0.00 O ATOM 363 CB VAL A 26 -0.906 -9.453 11.087 1.00 0.00 C ATOM 364 CG1 VAL A 26 -0.653 -10.870 10.595 1.00 0.00 C ATOM 365 CG2 VAL A 26 0.355 -8.609 10.979 1.00 0.00 C ATOM 0 H VAL A 26 -1.995 -7.149 11.583 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.842 -8.876 9.231 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.192 -9.505 12.137 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.164 -11.312 11.165 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.554 -11.468 10.729 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.387 -10.846 9.538 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.159 -9.082 11.543 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.647 -8.524 9.932 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.164 -7.615 11.384 1.00 0.00 H new ATOM 375 N GLU A 27 -4.032 -9.999 9.550 1.00 0.00 N ATOM 376 CA GLU A 27 -5.285 -10.728 9.706 1.00 0.00 C ATOM 377 C GLU A 27 -5.146 -12.162 9.206 1.00 0.00 C ATOM 378 O GLU A 27 -5.103 -13.105 9.995 1.00 0.00 O ATOM 379 CB GLU A 27 -6.410 -10.019 8.950 1.00 0.00 C ATOM 380 CG GLU A 27 -6.860 -8.722 9.603 1.00 0.00 C ATOM 381 CD GLU A 27 -7.379 -8.928 11.012 1.00 0.00 C ATOM 382 OE1 GLU A 27 -8.146 -9.890 11.228 1.00 0.00 O ATOM 383 OE2 GLU A 27 -7.018 -8.127 11.900 1.00 0.00 O ATOM 0 H GLU A 27 -3.736 -9.871 8.582 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.531 -10.754 10.768 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.077 -9.808 7.934 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.264 -10.692 8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.025 -8.022 9.626 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -7.641 -8.266 8.995 1.00 0.00 H new ATOM 390 N GLY A 28 -5.076 -12.319 7.887 1.00 0.00 N ATOM 391 CA GLY A 28 -4.943 -13.641 7.303 1.00 0.00 C ATOM 392 C GLY A 28 -3.593 -13.852 6.647 1.00 0.00 C ATOM 393 O GLY A 28 -3.452 -13.696 5.435 1.00 0.00 O ATOM 0 H GLY A 28 -5.109 -11.554 7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.088 -14.393 8.078 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.730 -13.789 6.563 1.00 0.00 H new ATOM 397 N GLY A 29 -2.595 -14.206 7.451 1.00 0.00 N ATOM 398 CA GLY A 29 -1.261 -14.431 6.924 1.00 0.00 C ATOM 399 C GLY A 29 -0.886 -13.429 5.850 1.00 0.00 C ATOM 400 O GLY A 29 -0.050 -13.713 4.993 1.00 0.00 O ATOM 0 H GLY A 29 -2.686 -14.341 8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.538 -14.375 7.738 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.201 -15.439 6.513 1.00 0.00 H new ATOM 404 N GLU A 30 -1.507 -12.255 5.895 1.00 0.00 N ATOM 405 CA GLU A 30 -1.234 -11.209 4.916 1.00 0.00 C ATOM 406 C GLU A 30 -1.278 -9.829 5.567 1.00 0.00 C ATOM 407 O GLU A 30 -1.838 -9.659 6.651 1.00 0.00 O ATOM 408 CB GLU A 30 -2.246 -11.276 3.770 1.00 0.00 C ATOM 409 CG GLU A 30 -3.610 -10.712 4.128 1.00 0.00 C ATOM 410 CD GLU A 30 -4.727 -11.315 3.298 1.00 0.00 C ATOM 411 OE1 GLU A 30 -4.627 -11.276 2.053 1.00 0.00 O ATOM 412 OE2 GLU A 30 -5.700 -11.824 3.891 1.00 0.00 O ATOM 0 H GLU A 30 -2.202 -12.004 6.598 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.233 -11.372 4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.850 -10.729 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.362 -12.314 3.459 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.808 -10.894 5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.600 -9.631 3.987 1.00 0.00 H new ATOM 419 N LEU A 31 -0.683 -8.848 4.899 1.00 0.00 N ATOM 420 CA LEU A 31 -0.653 -7.482 5.411 1.00 0.00 C ATOM 421 C LEU A 31 -1.615 -6.588 4.636 1.00 0.00 C ATOM 422 O LEU A 31 -1.539 -6.491 3.411 1.00 0.00 O ATOM 423 CB LEU A 31 0.766 -6.916 5.327 1.00 0.00 C ATOM 424 CG LEU A 31 1.652 -7.142 6.553 1.00 0.00 C ATOM 425 CD1 LEU A 31 2.972 -6.402 6.401 1.00 0.00 C ATOM 426 CD2 LEU A 31 0.934 -6.700 7.819 1.00 0.00 C ATOM 0 H LEU A 31 -0.215 -8.972 4.001 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.968 -7.505 6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.260 -7.355 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.698 -5.843 5.145 1.00 0.00 H new ATOM 0 HG LEU A 31 1.863 -8.208 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.589 -6.574 7.283 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.494 -6.766 5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.780 -5.334 6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.580 -6.868 8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.692 -5.640 7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.015 -7.275 7.936 1.00 0.00 H new ATOM 438 N VAL A 32 -2.520 -5.935 5.359 1.00 0.00 N ATOM 439 CA VAL A 32 -3.496 -5.046 4.740 1.00 0.00 C ATOM 440 C VAL A 32 -3.396 -3.637 5.312 1.00 0.00 C ATOM 441 O VAL A 32 -3.287 -3.455 6.525 1.00 0.00 O ATOM 442 CB VAL A 32 -4.932 -5.567 4.935 1.00 0.00 C ATOM 443 CG1 VAL A 32 -5.322 -5.523 6.405 1.00 0.00 C ATOM 444 CG2 VAL A 32 -5.910 -4.761 4.092 1.00 0.00 C ATOM 0 H VAL A 32 -2.597 -6.005 6.374 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.269 -5.019 3.674 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.971 -6.605 4.604 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.340 -5.895 6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.639 -6.147 6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.267 -4.496 6.765 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.920 -5.143 4.242 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.870 -3.713 4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.641 -4.849 3.039 1.00 0.00 H new ATOM 454 N ILE A 33 -3.435 -2.642 4.432 1.00 0.00 N ATOM 455 CA ILE A 33 -3.351 -1.249 4.850 1.00 0.00 C ATOM 456 C ILE A 33 -4.550 -0.858 5.706 1.00 0.00 C ATOM 457 O ILE A 33 -5.615 -0.525 5.186 1.00 0.00 O ATOM 458 CB ILE A 33 -3.268 -0.301 3.639 1.00 0.00 C ATOM 459 CG1 ILE A 33 -1.954 -0.515 2.885 1.00 0.00 C ATOM 460 CG2 ILE A 33 -3.397 1.146 4.088 1.00 0.00 C ATOM 461 CD1 ILE A 33 -1.908 0.178 1.541 1.00 0.00 C ATOM 0 H ILE A 33 -3.524 -2.775 3.425 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.440 -1.152 5.440 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.094 -0.526 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.129 -0.154 3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.798 -1.584 2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.336 1.803 3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.357 1.289 4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.591 1.385 4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.948 -0.017 1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.711 -0.200 0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.032 1.252 1.681 1.00 0.00 H new ATOM 473 N ALA A 34 -4.370 -0.899 7.022 1.00 0.00 N ATOM 474 CA ALA A 34 -5.436 -0.545 7.951 1.00 0.00 C ATOM 475 C ALA A 34 -5.847 0.914 7.785 1.00 0.00 C ATOM 476 O ALA A 34 -7.035 1.232 7.733 1.00 0.00 O ATOM 477 CB ALA A 34 -4.999 -0.814 9.383 1.00 0.00 C ATOM 0 H ALA A 34 -3.495 -1.174 7.469 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.303 -1.166 7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.805 -0.545 10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.763 -1.872 9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.115 -0.218 9.612 1.00 0.00 H new ATOM 483 N ARG A 35 -4.857 1.797 7.705 1.00 0.00 N ATOM 484 CA ARG A 35 -5.116 3.223 7.547 1.00 0.00 C ATOM 485 C ARG A 35 -4.003 3.892 6.745 1.00 0.00 C ATOM 486 O ARG A 35 -2.902 3.354 6.624 1.00 0.00 O ATOM 487 CB ARG A 35 -5.247 3.893 8.916 1.00 0.00 C ATOM 488 CG ARG A 35 -4.853 5.361 8.915 1.00 0.00 C ATOM 489 CD ARG A 35 -5.104 6.006 10.270 1.00 0.00 C ATOM 490 NE ARG A 35 -6.349 5.540 10.875 1.00 0.00 N ATOM 491 CZ ARG A 35 -6.443 4.433 11.602 1.00 0.00 C ATOM 492 NH1 ARG A 35 -5.372 3.681 11.813 1.00 0.00 N ATOM 493 NH2 ARG A 35 -7.611 4.075 12.120 1.00 0.00 N ATOM 0 H ARG A 35 -3.868 1.550 7.747 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.053 3.339 7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.278 3.802 9.258 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.624 3.359 9.634 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.799 5.456 8.655 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.419 5.890 8.148 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.271 5.784 10.937 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.140 7.089 10.155 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.192 6.095 10.731 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.472 3.952 11.416 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.448 2.831 12.372 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.438 4.650 11.960 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.682 3.224 12.678 1.00 0.00 H new ATOM 507 N ILE A 36 -4.299 5.067 6.200 1.00 0.00 N ATOM 508 CA ILE A 36 -3.324 5.809 5.411 1.00 0.00 C ATOM 509 C ILE A 36 -3.227 7.258 5.877 1.00 0.00 C ATOM 510 O ILE A 36 -4.106 8.073 5.592 1.00 0.00 O ATOM 511 CB ILE A 36 -3.678 5.787 3.912 1.00 0.00 C ATOM 512 CG1 ILE A 36 -3.519 4.373 3.350 1.00 0.00 C ATOM 513 CG2 ILE A 36 -2.803 6.768 3.146 1.00 0.00 C ATOM 514 CD1 ILE A 36 -4.269 4.150 2.055 1.00 0.00 C ATOM 0 H ILE A 36 -5.206 5.525 6.290 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.362 5.318 5.556 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.718 6.091 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.460 4.173 3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.869 3.655 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.065 6.741 2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.960 7.775 3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.755 6.492 3.267 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.111 3.127 1.715 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.334 4.318 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.903 4.844 1.299 1.00 0.00 H new ATOM 526 N LEU A 37 -2.154 7.573 6.594 1.00 0.00 N ATOM 527 CA LEU A 37 -1.941 8.925 7.099 1.00 0.00 C ATOM 528 C LEU A 37 -2.177 9.959 6.003 1.00 0.00 C ATOM 529 O LEU A 37 -1.572 9.894 4.932 1.00 0.00 O ATOM 530 CB LEU A 37 -0.521 9.066 7.651 1.00 0.00 C ATOM 531 CG LEU A 37 -0.329 8.669 9.116 1.00 0.00 C ATOM 532 CD1 LEU A 37 -0.622 7.190 9.311 1.00 0.00 C ATOM 533 CD2 LEU A 37 1.083 9.001 9.577 1.00 0.00 C ATOM 0 H LEU A 37 -1.418 6.911 6.839 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.656 9.104 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.147 8.459 7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.207 10.103 7.532 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.032 9.240 9.723 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.480 6.926 10.359 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.652 6.982 9.021 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.056 6.600 8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.202 8.712 10.621 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.803 8.457 8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.257 10.072 9.475 1.00 0.00 H new ATOM 545 N HIS A 38 -3.060 10.914 6.278 1.00 0.00 N ATOM 546 CA HIS A 38 -3.374 11.965 5.316 1.00 0.00 C ATOM 547 C HIS A 38 -2.132 12.787 4.984 1.00 0.00 C ATOM 548 O HIS A 38 -1.220 12.909 5.801 1.00 0.00 O ATOM 549 CB HIS A 38 -4.472 12.876 5.865 1.00 0.00 C ATOM 550 CG HIS A 38 -5.328 13.490 4.800 1.00 0.00 C ATOM 551 ND1 HIS A 38 -5.877 14.751 4.910 1.00 0.00 N ATOM 552 CD2 HIS A 38 -5.729 13.010 3.600 1.00 0.00 C ATOM 553 CE1 HIS A 38 -6.579 15.019 3.823 1.00 0.00 C ATOM 554 NE2 HIS A 38 -6.505 13.979 3.012 1.00 0.00 N ATOM 0 H HIS A 38 -3.570 10.982 7.158 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.729 11.492 4.401 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.104 12.302 6.542 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.013 13.670 6.454 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.484 12.045 3.182 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.121 15.933 3.630 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.952 13.907 2.098 1.00 0.00 H new ATOM 563 N GLY A 39 -2.104 13.349 3.779 1.00 0.00 N ATOM 564 CA GLY A 39 -0.970 14.151 3.361 1.00 0.00 C ATOM 565 C GLY A 39 0.336 13.383 3.418 1.00 0.00 C ATOM 566 O GLY A 39 0.956 13.277 4.476 1.00 0.00 O ATOM 0 H GLY A 39 -2.847 13.263 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.135 14.506 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.898 15.032 3.998 1.00 0.00 H new ATOM 570 N GLY A 40 0.755 12.844 2.277 1.00 0.00 N ATOM 571 CA GLY A 40 1.992 12.087 2.224 1.00 0.00 C ATOM 572 C GLY A 40 2.325 11.619 0.822 1.00 0.00 C ATOM 573 O GLY A 40 2.216 12.383 -0.137 1.00 0.00 O ATOM 0 H GLY A 40 0.260 12.918 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.808 12.703 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.914 11.223 2.883 1.00 0.00 H new ATOM 577 N MET A 41 2.736 10.361 0.701 1.00 0.00 N ATOM 578 CA MET A 41 3.087 9.792 -0.595 1.00 0.00 C ATOM 579 C MET A 41 1.890 9.082 -1.219 1.00 0.00 C ATOM 580 O MET A 41 1.506 9.371 -2.353 1.00 0.00 O ATOM 581 CB MET A 41 4.255 8.816 -0.448 1.00 0.00 C ATOM 582 CG MET A 41 4.274 7.727 -1.508 1.00 0.00 C ATOM 583 SD MET A 41 5.934 7.097 -1.827 1.00 0.00 S ATOM 584 CE MET A 41 6.727 8.557 -2.497 1.00 0.00 C ATOM 0 H MET A 41 2.834 9.716 1.485 1.00 0.00 H new ATOM 0 HA MET A 41 3.386 10.608 -1.253 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.191 9.373 -0.494 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.208 8.352 0.537 1.00 0.00 H new ATOM 0 HG2 MET A 41 3.632 6.905 -1.190 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.854 8.120 -2.434 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.245 8.298 -3.420 1.00 0.00 H new ATOM 0 HE2 MET A 41 5.974 9.317 -2.704 1.00 0.00 H new ATOM 0 HE3 MET A 41 7.445 8.945 -1.774 1.00 0.00 H new ATOM 594 N VAL A 42 1.305 8.150 -0.473 1.00 0.00 N ATOM 595 CA VAL A 42 0.152 7.399 -0.954 1.00 0.00 C ATOM 596 C VAL A 42 -1.123 8.231 -0.862 1.00 0.00 C ATOM 597 O VAL A 42 -2.043 8.065 -1.662 1.00 0.00 O ATOM 598 CB VAL A 42 -0.041 6.095 -0.156 1.00 0.00 C ATOM 599 CG1 VAL A 42 0.107 6.355 1.335 1.00 0.00 C ATOM 600 CG2 VAL A 42 -1.395 5.477 -0.466 1.00 0.00 C ATOM 0 H VAL A 42 1.611 7.897 0.467 1.00 0.00 H new ATOM 0 HA VAL A 42 0.348 7.153 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 42 0.733 5.388 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.033 5.423 1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.102 6.750 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.643 7.079 1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.515 4.557 0.106 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.185 6.178 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.457 5.253 -1.531 1.00 0.00 H new ATOM 610 N ALA A 43 -1.169 9.126 0.118 1.00 0.00 N ATOM 611 CA ALA A 43 -2.330 9.986 0.313 1.00 0.00 C ATOM 612 C ALA A 43 -2.595 10.839 -0.923 1.00 0.00 C ATOM 613 O ALA A 43 -3.736 10.970 -1.364 1.00 0.00 O ATOM 614 CB ALA A 43 -2.132 10.872 1.535 1.00 0.00 C ATOM 0 H ALA A 43 -0.416 9.275 0.790 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.199 9.349 0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.007 11.509 1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.999 10.248 2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.248 11.494 1.394 1.00 0.00 H new ATOM 620 N GLN A 44 -1.534 11.417 -1.477 1.00 0.00 N ATOM 621 CA GLN A 44 -1.654 12.258 -2.661 1.00 0.00 C ATOM 622 C GLN A 44 -1.900 11.413 -3.907 1.00 0.00 C ATOM 623 O GLN A 44 -2.664 11.801 -4.790 1.00 0.00 O ATOM 624 CB GLN A 44 -0.390 13.100 -2.845 1.00 0.00 C ATOM 625 CG GLN A 44 -0.283 14.258 -1.865 1.00 0.00 C ATOM 626 CD GLN A 44 -1.369 15.296 -2.067 1.00 0.00 C ATOM 627 OE1 GLN A 44 -1.247 16.182 -2.913 1.00 0.00 O ATOM 628 NE2 GLN A 44 -2.440 15.192 -1.289 1.00 0.00 N ATOM 0 H GLN A 44 -0.582 11.318 -1.125 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.507 12.921 -2.519 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.484 12.458 -2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.369 13.492 -3.862 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.338 13.873 -0.847 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.692 14.732 -1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.499 14.442 -0.601 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.203 15.862 -1.380 1.00 0.00 H new ATOM 637 N GLN A 45 -1.248 10.256 -3.969 1.00 0.00 N ATOM 638 CA GLN A 45 -1.397 9.357 -5.107 1.00 0.00 C ATOM 639 C GLN A 45 -2.652 8.503 -4.966 1.00 0.00 C ATOM 640 O GLN A 45 -2.803 7.758 -3.999 1.00 0.00 O ATOM 641 CB GLN A 45 -0.166 8.458 -5.238 1.00 0.00 C ATOM 642 CG GLN A 45 0.942 9.062 -6.084 1.00 0.00 C ATOM 643 CD GLN A 45 2.243 8.290 -5.980 1.00 0.00 C ATOM 644 OE1 GLN A 45 2.244 7.082 -5.741 1.00 0.00 O ATOM 645 NE2 GLN A 45 3.360 8.985 -6.160 1.00 0.00 N ATOM 0 H GLN A 45 -0.612 9.920 -3.245 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.493 9.964 -6.007 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.224 8.243 -4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.467 7.506 -5.675 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.623 9.091 -7.126 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.110 10.093 -5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.313 9.985 -6.356 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.265 8.519 -6.102 1.00 0.00 H new ATOM 654 N GLY A 46 -3.553 8.618 -5.938 1.00 0.00 N ATOM 655 CA GLY A 46 -4.784 7.851 -5.903 1.00 0.00 C ATOM 656 C GLY A 46 -4.625 6.470 -6.508 1.00 0.00 C ATOM 657 O GLY A 46 -5.420 6.059 -7.354 1.00 0.00 O ATOM 0 H GLY A 46 -3.452 9.229 -6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.119 7.755 -4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.561 8.393 -6.442 1.00 0.00 H new ATOM 661 N LEU A 47 -3.595 5.752 -6.075 1.00 0.00 N ATOM 662 CA LEU A 47 -3.332 4.409 -6.580 1.00 0.00 C ATOM 663 C LEU A 47 -3.604 3.360 -5.506 1.00 0.00 C ATOM 664 O LEU A 47 -4.350 2.405 -5.730 1.00 0.00 O ATOM 665 CB LEU A 47 -1.885 4.298 -7.062 1.00 0.00 C ATOM 666 CG LEU A 47 -1.453 5.307 -8.127 1.00 0.00 C ATOM 667 CD1 LEU A 47 0.063 5.381 -8.209 1.00 0.00 C ATOM 668 CD2 LEU A 47 -2.045 4.939 -9.481 1.00 0.00 C ATOM 0 H LEU A 47 -2.928 6.077 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.003 4.226 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.227 4.406 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.731 3.294 -7.457 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.829 6.290 -7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.351 6.104 -8.972 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.465 5.692 -7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.462 4.400 -8.469 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.727 5.667 -10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.699 3.947 -9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.133 4.939 -9.414 1.00 0.00 H new ATOM 680 N LEU A 48 -2.998 3.545 -4.339 1.00 0.00 N ATOM 681 CA LEU A 48 -3.176 2.616 -3.228 1.00 0.00 C ATOM 682 C LEU A 48 -4.194 3.152 -2.228 1.00 0.00 C ATOM 683 O LEU A 48 -4.407 4.362 -2.131 1.00 0.00 O ATOM 684 CB LEU A 48 -1.839 2.365 -2.528 1.00 0.00 C ATOM 685 CG LEU A 48 -0.641 2.106 -3.442 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.644 2.588 -2.787 1.00 0.00 C ATOM 687 CD2 LEU A 48 -0.543 0.627 -3.787 1.00 0.00 C ATOM 0 H LEU A 48 -2.379 4.330 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.551 1.675 -3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.612 3.227 -1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.955 1.509 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.786 2.666 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.486 2.395 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.574 3.658 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.795 2.057 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.315 0.461 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.422 0.047 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.453 0.312 -4.298 1.00 0.00 H new ATOM 699 N HIS A 49 -4.820 2.246 -1.484 1.00 0.00 N ATOM 700 CA HIS A 49 -5.814 2.628 -0.488 1.00 0.00 C ATOM 701 C HIS A 49 -6.079 1.482 0.484 1.00 0.00 C ATOM 702 O HIS A 49 -5.678 0.344 0.241 1.00 0.00 O ATOM 703 CB HIS A 49 -7.117 3.044 -1.171 1.00 0.00 C ATOM 704 CG HIS A 49 -7.183 4.504 -1.497 1.00 0.00 C ATOM 705 ND1 HIS A 49 -7.075 5.494 -0.544 1.00 0.00 N ATOM 706 CD2 HIS A 49 -7.346 5.140 -2.681 1.00 0.00 C ATOM 707 CE1 HIS A 49 -7.169 6.676 -1.126 1.00 0.00 C ATOM 708 NE2 HIS A 49 -7.334 6.489 -2.424 1.00 0.00 N ATOM 0 H HIS A 49 -4.656 1.242 -1.552 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.421 3.474 0.075 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -7.236 2.469 -2.090 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.955 2.787 -0.524 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.464 4.673 -3.648 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.119 7.632 -0.626 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.436 7.226 -3.121 1.00 0.00 H new ATOM 717 N VAL A 50 -6.755 1.791 1.586 1.00 0.00 N ATOM 718 CA VAL A 50 -7.073 0.787 2.594 1.00 0.00 C ATOM 719 C VAL A 50 -7.548 -0.510 1.948 1.00 0.00 C ATOM 720 O VAL A 50 -8.394 -0.497 1.055 1.00 0.00 O ATOM 721 CB VAL A 50 -8.157 1.290 3.565 1.00 0.00 C ATOM 722 CG1 VAL A 50 -8.571 0.185 4.524 1.00 0.00 C ATOM 723 CG2 VAL A 50 -7.664 2.511 4.327 1.00 0.00 C ATOM 0 H VAL A 50 -7.093 2.729 1.803 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.156 0.597 3.151 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.033 1.581 2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.338 0.560 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.968 -0.658 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.705 -0.140 5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.443 2.853 5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.772 2.249 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.423 3.307 3.622 1.00 0.00 H new ATOM 733 N GLY A 51 -6.997 -1.630 2.407 1.00 0.00 N ATOM 734 CA GLY A 51 -7.377 -2.920 1.862 1.00 0.00 C ATOM 735 C GLY A 51 -6.341 -3.473 0.903 1.00 0.00 C ATOM 736 O GLY A 51 -6.365 -4.657 0.567 1.00 0.00 O ATOM 0 H GLY A 51 -6.295 -1.667 3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.525 -3.626 2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.332 -2.825 1.345 1.00 0.00 H new ATOM 740 N ASP A 52 -5.429 -2.614 0.461 1.00 0.00 N ATOM 741 CA ASP A 52 -4.380 -3.022 -0.466 1.00 0.00 C ATOM 742 C ASP A 52 -3.434 -4.024 0.191 1.00 0.00 C ATOM 743 O ASP A 52 -2.590 -3.652 1.006 1.00 0.00 O ATOM 744 CB ASP A 52 -3.594 -1.803 -0.950 1.00 0.00 C ATOM 745 CG ASP A 52 -4.267 -1.106 -2.116 1.00 0.00 C ATOM 746 OD1 ASP A 52 -5.449 -0.728 -1.979 1.00 0.00 O ATOM 747 OD2 ASP A 52 -3.612 -0.941 -3.167 1.00 0.00 O ATOM 0 H ASP A 52 -5.395 -1.631 0.730 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.853 -3.503 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.479 -1.098 -0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.592 -2.114 -1.246 1.00 0.00 H new ATOM 752 N ILE A 53 -3.584 -5.294 -0.169 1.00 0.00 N ATOM 753 CA ILE A 53 -2.743 -6.348 0.385 1.00 0.00 C ATOM 754 C ILE A 53 -1.445 -6.488 -0.403 1.00 0.00 C ATOM 755 O ILE A 53 -1.464 -6.727 -1.611 1.00 0.00 O ATOM 756 CB ILE A 53 -3.474 -7.704 0.394 1.00 0.00 C ATOM 757 CG1 ILE A 53 -4.876 -7.549 0.987 1.00 0.00 C ATOM 758 CG2 ILE A 53 -2.672 -8.732 1.179 1.00 0.00 C ATOM 759 CD1 ILE A 53 -5.697 -8.818 0.937 1.00 0.00 C ATOM 0 H ILE A 53 -4.279 -5.618 -0.841 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.512 -6.061 1.411 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.572 -8.054 -0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.789 -7.223 2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.405 -6.762 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.201 -9.685 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.693 -8.859 0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.547 -8.389 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.678 -8.634 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.815 -9.134 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.190 -9.602 1.500 1.00 0.00 H new ATOM 771 N ILE A 54 -0.321 -6.340 0.289 1.00 0.00 N ATOM 772 CA ILE A 54 0.986 -6.453 -0.346 1.00 0.00 C ATOM 773 C ILE A 54 1.553 -7.860 -0.192 1.00 0.00 C ATOM 774 O ILE A 54 1.775 -8.334 0.922 1.00 0.00 O ATOM 775 CB ILE A 54 1.988 -5.442 0.243 1.00 0.00 C ATOM 776 CG1 ILE A 54 1.328 -4.069 0.398 1.00 0.00 C ATOM 777 CG2 ILE A 54 3.224 -5.345 -0.639 1.00 0.00 C ATOM 778 CD1 ILE A 54 2.070 -3.146 1.339 1.00 0.00 C ATOM 0 H ILE A 54 -0.289 -6.142 1.289 1.00 0.00 H new ATOM 0 HA ILE A 54 0.841 -6.235 -1.404 1.00 0.00 H new ATOM 0 HB ILE A 54 2.296 -5.790 1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.257 -3.596 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.309 -4.203 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.922 -4.627 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.703 -6.322 -0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.934 -5.017 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.546 -2.192 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.118 -3.598 2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.081 -2.982 0.966 1.00 0.00 H new ATOM 790 N LYS A 55 1.786 -8.524 -1.319 1.00 0.00 N ATOM 791 CA LYS A 55 2.330 -9.877 -1.312 1.00 0.00 C ATOM 792 C LYS A 55 3.848 -9.853 -1.172 1.00 0.00 C ATOM 793 O LYS A 55 4.405 -10.448 -0.250 1.00 0.00 O ATOM 794 CB LYS A 55 1.937 -10.614 -2.595 1.00 0.00 C ATOM 795 CG LYS A 55 2.624 -11.958 -2.759 1.00 0.00 C ATOM 796 CD LYS A 55 1.836 -13.072 -2.090 1.00 0.00 C ATOM 797 CE LYS A 55 0.615 -13.460 -2.910 1.00 0.00 C ATOM 798 NZ LYS A 55 0.992 -14.148 -4.176 1.00 0.00 N ATOM 0 H LYS A 55 1.606 -8.147 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 55 1.912 -10.405 -0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.857 -10.764 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.177 -9.986 -3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.742 -12.181 -3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.625 -11.911 -2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.477 -13.943 -1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.522 -12.751 -1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.027 -14.113 -2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.034 -12.567 -3.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.159 -14.631 -4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.342 -13.448 -4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.738 -14.846 -3.983 1.00 0.00 H new ATOM 812 N GLU A 56 4.512 -9.159 -2.092 1.00 0.00 N ATOM 813 CA GLU A 56 5.966 -9.057 -2.069 1.00 0.00 C ATOM 814 C GLU A 56 6.419 -7.649 -2.444 1.00 0.00 C ATOM 815 O GLU A 56 5.627 -6.837 -2.921 1.00 0.00 O ATOM 816 CB GLU A 56 6.586 -10.076 -3.027 1.00 0.00 C ATOM 817 CG GLU A 56 7.964 -10.555 -2.600 1.00 0.00 C ATOM 818 CD GLU A 56 8.457 -11.726 -3.426 1.00 0.00 C ATOM 819 OE1 GLU A 56 8.211 -11.734 -4.651 1.00 0.00 O ATOM 820 OE2 GLU A 56 9.089 -12.635 -2.848 1.00 0.00 O ATOM 0 H GLU A 56 4.066 -8.660 -2.862 1.00 0.00 H new ATOM 0 HA GLU A 56 6.303 -9.270 -1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.921 -10.936 -3.109 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.657 -9.632 -4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.673 -9.731 -2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.935 -10.843 -1.549 1.00 0.00 H new ATOM 827 N VAL A 57 7.699 -7.367 -2.223 1.00 0.00 N ATOM 828 CA VAL A 57 8.259 -6.058 -2.537 1.00 0.00 C ATOM 829 C VAL A 57 9.533 -6.189 -3.364 1.00 0.00 C ATOM 830 O VAL A 57 10.559 -6.654 -2.872 1.00 0.00 O ATOM 831 CB VAL A 57 8.570 -5.258 -1.258 1.00 0.00 C ATOM 832 CG1 VAL A 57 9.246 -3.940 -1.603 1.00 0.00 C ATOM 833 CG2 VAL A 57 7.300 -5.021 -0.456 1.00 0.00 C ATOM 0 H VAL A 57 8.368 -8.028 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 57 7.506 -5.523 -3.117 1.00 0.00 H new ATOM 0 HB VAL A 57 9.257 -5.841 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.458 -3.389 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.179 -4.137 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.587 -3.348 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.539 -4.454 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.588 -4.459 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.862 -5.979 -0.176 1.00 0.00 H new ATOM 843 N ASN A 58 9.459 -5.774 -4.625 1.00 0.00 N ATOM 844 CA ASN A 58 10.607 -5.846 -5.522 1.00 0.00 C ATOM 845 C ASN A 58 11.277 -7.214 -5.440 1.00 0.00 C ATOM 846 O ASN A 58 12.471 -7.348 -5.703 1.00 0.00 O ATOM 847 CB ASN A 58 11.617 -4.749 -5.178 1.00 0.00 C ATOM 848 CG ASN A 58 12.282 -4.976 -3.834 1.00 0.00 C ATOM 849 OD1 ASN A 58 12.850 -6.039 -3.582 1.00 0.00 O ATOM 850 ND2 ASN A 58 12.214 -3.975 -2.964 1.00 0.00 N ATOM 0 H ASN A 58 8.617 -5.385 -5.048 1.00 0.00 H new ATOM 0 HA ASN A 58 10.251 -5.697 -6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.380 -4.705 -5.955 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.112 -3.783 -5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.643 -4.069 -2.043 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.733 -3.112 -3.216 1.00 0.00 H new ATOM 857 N GLY A 59 10.498 -8.227 -5.074 1.00 0.00 N ATOM 858 CA GLY A 59 11.033 -9.572 -4.964 1.00 0.00 C ATOM 859 C GLY A 59 11.512 -9.893 -3.563 1.00 0.00 C ATOM 860 O GLY A 59 12.408 -10.717 -3.381 1.00 0.00 O ATOM 0 H GLY A 59 9.506 -8.141 -4.852 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.266 -10.290 -5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.861 -9.689 -5.663 1.00 0.00 H new ATOM 864 N GLN A 60 10.916 -9.239 -2.571 1.00 0.00 N ATOM 865 CA GLN A 60 11.290 -9.459 -1.179 1.00 0.00 C ATOM 866 C GLN A 60 10.058 -9.717 -0.318 1.00 0.00 C ATOM 867 O GLN A 60 9.016 -9.079 -0.475 1.00 0.00 O ATOM 868 CB GLN A 60 12.059 -8.252 -0.639 1.00 0.00 C ATOM 869 CG GLN A 60 13.493 -8.171 -1.139 1.00 0.00 C ATOM 870 CD GLN A 60 14.323 -7.161 -0.372 1.00 0.00 C ATOM 871 OE1 GLN A 60 13.853 -6.561 0.595 1.00 0.00 O ATOM 872 NE2 GLN A 60 15.565 -6.968 -0.799 1.00 0.00 N ATOM 0 H GLN A 60 10.173 -8.553 -2.705 1.00 0.00 H new ATOM 0 HA GLN A 60 11.931 -10.339 -1.137 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.532 -7.340 -0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.064 -8.293 0.450 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.958 -9.154 -1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.491 -7.905 -2.196 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.914 -7.487 -1.605 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.171 -6.301 -0.321 1.00 0.00 H new ATOM 881 N PRO A 61 10.176 -10.675 0.613 1.00 0.00 N ATOM 882 CA PRO A 61 9.081 -11.040 1.517 1.00 0.00 C ATOM 883 C PRO A 61 8.784 -9.947 2.538 1.00 0.00 C ATOM 884 O PRO A 61 9.686 -9.457 3.218 1.00 0.00 O ATOM 885 CB PRO A 61 9.602 -12.298 2.216 1.00 0.00 C ATOM 886 CG PRO A 61 11.086 -12.181 2.149 1.00 0.00 C ATOM 887 CD PRO A 61 11.387 -11.476 0.855 1.00 0.00 C ATOM 0 HA PRO A 61 8.144 -11.191 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.255 -12.350 3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.253 -13.202 1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.472 -11.618 2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.557 -13.164 2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.274 -10.848 0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.570 -12.183 0.045 1.00 0.00 H new ATOM 895 N VAL A 62 7.514 -9.569 2.642 1.00 0.00 N ATOM 896 CA VAL A 62 7.098 -8.535 3.582 1.00 0.00 C ATOM 897 C VAL A 62 6.930 -9.104 4.986 1.00 0.00 C ATOM 898 O VAL A 62 7.019 -8.379 5.976 1.00 0.00 O ATOM 899 CB VAL A 62 5.776 -7.878 3.145 1.00 0.00 C ATOM 900 CG1 VAL A 62 5.884 -7.357 1.719 1.00 0.00 C ATOM 901 CG2 VAL A 62 4.623 -8.862 3.276 1.00 0.00 C ATOM 0 H VAL A 62 6.755 -9.964 2.087 1.00 0.00 H new ATOM 0 HA VAL A 62 7.885 -7.780 3.591 1.00 0.00 H new ATOM 0 HB VAL A 62 5.577 -7.031 3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.940 -6.896 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.682 -6.617 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.107 -8.184 1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.697 -8.381 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.812 -9.730 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.533 -9.181 4.314 1.00 0.00 H new ATOM 911 N GLY A 63 6.686 -10.409 5.065 1.00 0.00 N ATOM 912 CA GLY A 63 6.509 -11.054 6.353 1.00 0.00 C ATOM 913 C GLY A 63 5.201 -10.674 7.017 1.00 0.00 C ATOM 914 O GLY A 63 4.428 -9.885 6.474 1.00 0.00 O ATOM 0 H GLY A 63 6.608 -11.031 4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.546 -12.136 6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.337 -10.784 7.008 1.00 0.00 H new ATOM 918 N SER A 64 4.952 -11.237 8.196 1.00 0.00 N ATOM 919 CA SER A 64 3.726 -10.956 8.933 1.00 0.00 C ATOM 920 C SER A 64 3.941 -9.825 9.935 1.00 0.00 C ATOM 921 O SER A 64 3.302 -9.783 10.986 1.00 0.00 O ATOM 922 CB SER A 64 3.244 -12.213 9.660 1.00 0.00 C ATOM 923 OG SER A 64 4.250 -12.722 10.519 1.00 0.00 O ATOM 0 H SER A 64 5.583 -11.890 8.660 1.00 0.00 H new ATOM 0 HA SER A 64 2.965 -10.644 8.218 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.350 -11.982 10.239 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.964 -12.974 8.931 1.00 0.00 H new ATOM 0 HG SER A 64 3.917 -13.524 10.973 1.00 0.00 H new ATOM 929 N ASP A 65 4.846 -8.912 9.600 1.00 0.00 N ATOM 930 CA ASP A 65 5.146 -7.779 10.469 1.00 0.00 C ATOM 931 C ASP A 65 4.861 -6.459 9.759 1.00 0.00 C ATOM 932 O ASP A 65 5.612 -6.020 8.889 1.00 0.00 O ATOM 933 CB ASP A 65 6.607 -7.826 10.918 1.00 0.00 C ATOM 934 CG ASP A 65 6.939 -9.095 11.678 1.00 0.00 C ATOM 935 OD1 ASP A 65 6.210 -10.095 11.509 1.00 0.00 O ATOM 936 OD2 ASP A 65 7.926 -9.088 12.442 1.00 0.00 O ATOM 0 H ASP A 65 5.384 -8.934 8.734 1.00 0.00 H new ATOM 0 HA ASP A 65 4.502 -7.845 11.346 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.255 -7.749 10.045 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.818 -6.963 11.549 1.00 0.00 H new ATOM 941 N PRO A 66 3.749 -5.812 10.137 1.00 0.00 N ATOM 942 CA PRO A 66 3.338 -4.533 9.549 1.00 0.00 C ATOM 943 C PRO A 66 4.261 -3.387 9.952 1.00 0.00 C ATOM 944 O PRO A 66 4.648 -2.568 9.119 1.00 0.00 O ATOM 945 CB PRO A 66 1.934 -4.315 10.119 1.00 0.00 C ATOM 946 CG PRO A 66 1.919 -5.084 11.394 1.00 0.00 C ATOM 947 CD PRO A 66 2.807 -6.277 11.169 1.00 0.00 C ATOM 0 HA PRO A 66 3.371 -4.555 8.460 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.737 -3.257 10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.168 -4.673 9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.285 -4.476 12.221 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.906 -5.394 11.651 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.324 -6.571 12.082 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.238 -7.144 10.832 1.00 0.00 H new ATOM 955 N ARG A 67 4.609 -3.337 11.233 1.00 0.00 N ATOM 956 CA ARG A 67 5.485 -2.291 11.746 1.00 0.00 C ATOM 957 C ARG A 67 6.865 -2.372 11.100 1.00 0.00 C ATOM 958 O ARG A 67 7.552 -1.362 10.950 1.00 0.00 O ATOM 959 CB ARG A 67 5.615 -2.404 13.266 1.00 0.00 C ATOM 960 CG ARG A 67 4.282 -2.365 13.996 1.00 0.00 C ATOM 961 CD ARG A 67 4.447 -2.676 15.475 1.00 0.00 C ATOM 962 NE ARG A 67 4.702 -1.472 16.262 1.00 0.00 N ATOM 963 CZ ARG A 67 3.805 -0.508 16.442 1.00 0.00 C ATOM 964 NH1 ARG A 67 2.602 -0.607 15.895 1.00 0.00 N ATOM 965 NH2 ARG A 67 4.112 0.557 17.172 1.00 0.00 N ATOM 0 H ARG A 67 4.298 -4.009 11.935 1.00 0.00 H new ATOM 0 HA ARG A 67 5.042 -1.327 11.497 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.126 -3.335 13.510 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.243 -1.591 13.630 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.830 -1.380 13.879 1.00 0.00 H new ATOM 0 HG3 ARG A 67 3.598 -3.085 13.546 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.547 -3.167 15.845 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.271 -3.378 15.608 1.00 0.00 H new ATOM 0 HE ARG A 67 5.618 -1.365 16.697 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.362 -1.425 15.334 1.00 0.00 H new ATOM 0 HH12 ARG A 67 1.916 0.134 16.035 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.037 0.636 17.595 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.423 1.297 17.310 1.00 0.00 H new ATOM 979 N ALA A 68 7.265 -3.582 10.720 1.00 0.00 N ATOM 980 CA ALA A 68 8.561 -3.795 10.089 1.00 0.00 C ATOM 981 C ALA A 68 8.517 -3.432 8.609 1.00 0.00 C ATOM 982 O ALA A 68 9.537 -3.078 8.016 1.00 0.00 O ATOM 983 CB ALA A 68 9.003 -5.240 10.268 1.00 0.00 C ATOM 0 H ALA A 68 6.709 -4.429 10.839 1.00 0.00 H new ATOM 0 HA ALA A 68 9.286 -3.142 10.574 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.973 -5.386 9.792 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.083 -5.467 11.331 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.270 -5.904 9.809 1.00 0.00 H new ATOM 989 N LEU A 69 7.332 -3.522 8.017 1.00 0.00 N ATOM 990 CA LEU A 69 7.155 -3.204 6.605 1.00 0.00 C ATOM 991 C LEU A 69 7.241 -1.699 6.371 1.00 0.00 C ATOM 992 O LEU A 69 8.015 -1.235 5.535 1.00 0.00 O ATOM 993 CB LEU A 69 5.809 -3.733 6.106 1.00 0.00 C ATOM 994 CG LEU A 69 5.227 -3.035 4.876 1.00 0.00 C ATOM 995 CD1 LEU A 69 6.208 -3.094 3.715 1.00 0.00 C ATOM 996 CD2 LEU A 69 3.897 -3.663 4.486 1.00 0.00 C ATOM 0 H LEU A 69 6.478 -3.813 8.493 1.00 0.00 H new ATOM 0 HA LEU A 69 7.957 -3.687 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.920 -4.793 5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.087 -3.655 6.919 1.00 0.00 H new ATOM 0 HG LEU A 69 5.052 -1.988 5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.777 -2.592 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.136 -2.597 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.415 -4.135 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.497 -3.154 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.046 -4.718 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.193 -3.568 5.313 1.00 0.00 H new ATOM 1008 N GLN A 70 6.442 -0.943 7.117 1.00 0.00 N ATOM 1009 CA GLN A 70 6.429 0.510 6.991 1.00 0.00 C ATOM 1010 C GLN A 70 7.837 1.080 7.129 1.00 0.00 C ATOM 1011 O GLN A 70 8.088 2.229 6.768 1.00 0.00 O ATOM 1012 CB GLN A 70 5.510 1.126 8.048 1.00 0.00 C ATOM 1013 CG GLN A 70 4.077 0.625 7.974 1.00 0.00 C ATOM 1014 CD GLN A 70 3.300 0.890 9.249 1.00 0.00 C ATOM 1015 OE1 GLN A 70 3.209 2.029 9.709 1.00 0.00 O ATOM 1016 NE2 GLN A 70 2.735 -0.162 9.828 1.00 0.00 N ATOM 0 H GLN A 70 5.796 -1.312 7.814 1.00 0.00 H new ATOM 0 HA GLN A 70 6.051 0.761 6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.911 0.909 9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 70 5.514 2.210 7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.570 1.106 7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.080 -0.446 7.771 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.836 -1.088 9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.200 -0.044 10.688 1.00 0.00 H new ATOM 1025 N GLU A 71 8.750 0.270 7.655 1.00 0.00 N ATOM 1026 CA GLU A 71 10.132 0.696 7.841 1.00 0.00 C ATOM 1027 C GLU A 71 10.988 0.305 6.640 1.00 0.00 C ATOM 1028 O GLU A 71 11.940 1.004 6.288 1.00 0.00 O ATOM 1029 CB GLU A 71 10.711 0.079 9.116 1.00 0.00 C ATOM 1030 CG GLU A 71 12.138 0.514 9.408 1.00 0.00 C ATOM 1031 CD GLU A 71 12.219 1.936 9.928 1.00 0.00 C ATOM 1032 OE1 GLU A 71 11.905 2.152 11.117 1.00 0.00 O ATOM 1033 OE2 GLU A 71 12.595 2.834 9.145 1.00 0.00 O ATOM 0 H GLU A 71 8.558 -0.684 7.960 1.00 0.00 H new ATOM 0 HA GLU A 71 10.142 1.782 7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.077 0.349 9.961 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.681 -1.007 9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.577 -0.163 10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.733 0.429 8.499 1.00 0.00 H new ATOM 1040 N LEU A 72 10.644 -0.815 6.015 1.00 0.00 N ATOM 1041 CA LEU A 72 11.381 -1.300 4.852 1.00 0.00 C ATOM 1042 C LEU A 72 11.306 -0.299 3.704 1.00 0.00 C ATOM 1043 O LEU A 72 12.307 -0.020 3.043 1.00 0.00 O ATOM 1044 CB LEU A 72 10.828 -2.653 4.402 1.00 0.00 C ATOM 1045 CG LEU A 72 9.709 -2.609 3.361 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.257 -2.192 2.005 1.00 0.00 C ATOM 1047 CD2 LEU A 72 9.015 -3.959 3.266 1.00 0.00 C ATOM 0 H LEU A 72 9.860 -1.405 6.293 1.00 0.00 H new ATOM 0 HA LEU A 72 12.426 -1.419 5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.651 -3.242 3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.459 -3.182 5.280 1.00 0.00 H new ATOM 0 HG LEU A 72 8.975 -1.868 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.446 -2.166 1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.706 -1.202 2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.012 -2.909 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.222 -3.909 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.739 -4.720 2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.587 -4.217 4.235 1.00 0.00 H new ATOM 1059 N LEU A 73 10.114 0.239 3.472 1.00 0.00 N ATOM 1060 CA LEU A 73 9.908 1.211 2.404 1.00 0.00 C ATOM 1061 C LEU A 73 10.700 2.487 2.669 1.00 0.00 C ATOM 1062 O LEU A 73 11.397 2.991 1.788 1.00 0.00 O ATOM 1063 CB LEU A 73 8.420 1.541 2.268 1.00 0.00 C ATOM 1064 CG LEU A 73 7.528 0.413 1.748 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.094 0.608 2.216 1.00 0.00 C ATOM 1066 CD2 LEU A 73 7.590 0.341 0.229 1.00 0.00 C ATOM 0 H LEU A 73 9.275 0.019 4.009 1.00 0.00 H new ATOM 0 HA LEU A 73 10.264 0.771 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.047 1.852 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.317 2.396 1.600 1.00 0.00 H new ATOM 0 HG LEU A 73 7.895 -0.530 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.474 -0.204 1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.064 0.609 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.715 1.559 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.949 -0.467 -0.123 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.248 1.286 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.617 0.153 -0.085 1.00 0.00 H new ATOM 1078 N ARG A 74 10.591 3.003 3.889 1.00 0.00 N ATOM 1079 CA ARG A 74 11.299 4.220 4.270 1.00 0.00 C ATOM 1080 C ARG A 74 12.685 4.265 3.633 1.00 0.00 C ATOM 1081 O ARG A 74 13.073 5.270 3.039 1.00 0.00 O ATOM 1082 CB ARG A 74 11.423 4.307 5.793 1.00 0.00 C ATOM 1083 CG ARG A 74 11.680 5.716 6.303 1.00 0.00 C ATOM 1084 CD ARG A 74 11.281 5.861 7.763 1.00 0.00 C ATOM 1085 NE ARG A 74 11.471 7.225 8.249 1.00 0.00 N ATOM 1086 CZ ARG A 74 11.401 7.564 9.532 1.00 0.00 C ATOM 1087 NH1 ARG A 74 11.147 6.644 10.452 1.00 0.00 N ATOM 1088 NH2 ARG A 74 11.585 8.827 9.896 1.00 0.00 N ATOM 0 H ARG A 74 10.020 2.598 4.630 1.00 0.00 H new ATOM 0 HA ARG A 74 10.724 5.073 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.507 3.927 6.246 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.234 3.657 6.121 1.00 0.00 H new ATOM 0 HG2 ARG A 74 12.736 5.959 6.187 1.00 0.00 H new ATOM 0 HG3 ARG A 74 11.121 6.430 5.699 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.236 5.576 7.883 1.00 0.00 H new ATOM 0 HD3 ARG A 74 11.871 5.174 8.370 1.00 0.00 H new ATOM 0 HE ARG A 74 11.668 7.957 7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.005 5.672 10.176 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.094 6.908 11.436 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.780 9.538 9.191 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.531 9.087 10.881 1.00 0.00 H new ATOM 1102 N ASN A 75 13.426 3.169 3.762 1.00 0.00 N ATOM 1103 CA ASN A 75 14.768 3.084 3.199 1.00 0.00 C ATOM 1104 C ASN A 75 14.714 2.871 1.690 1.00 0.00 C ATOM 1105 O ASN A 75 15.388 3.565 0.930 1.00 0.00 O ATOM 1106 CB ASN A 75 15.549 1.945 3.859 1.00 0.00 C ATOM 1107 CG ASN A 75 16.189 2.365 5.168 1.00 0.00 C ATOM 1108 OD1 ASN A 75 17.174 3.104 5.181 1.00 0.00 O ATOM 1109 ND2 ASN A 75 15.631 1.894 6.277 1.00 0.00 N ATOM 0 H ASN A 75 13.120 2.328 4.251 1.00 0.00 H new ATOM 0 HA ASN A 75 15.277 4.027 3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.878 1.105 4.039 1.00 0.00 H new ATOM 0 HB3 ASN A 75 16.322 1.595 3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.018 2.142 7.188 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.815 1.284 6.218 1.00 0.00 H new ATOM 1116 N ALA A 76 13.905 1.906 1.263 1.00 0.00 N ATOM 1117 CA ALA A 76 13.760 1.603 -0.155 1.00 0.00 C ATOM 1118 C ALA A 76 13.849 2.870 -1.000 1.00 0.00 C ATOM 1119 O ALA A 76 13.052 3.793 -0.837 1.00 0.00 O ATOM 1120 CB ALA A 76 12.440 0.889 -0.410 1.00 0.00 C ATOM 0 H ALA A 76 13.340 1.321 1.879 1.00 0.00 H new ATOM 0 HA ALA A 76 14.579 0.945 -0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.345 0.669 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.414 -0.042 0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.614 1.528 -0.097 1.00 0.00 H new ATOM 1126 N SER A 77 14.826 2.907 -1.901 1.00 0.00 N ATOM 1127 CA SER A 77 15.023 4.063 -2.767 1.00 0.00 C ATOM 1128 C SER A 77 14.945 3.660 -4.237 1.00 0.00 C ATOM 1129 O SER A 77 14.746 2.490 -4.561 1.00 0.00 O ATOM 1130 CB SER A 77 16.373 4.720 -2.478 1.00 0.00 C ATOM 1131 OG SER A 77 16.679 5.707 -3.448 1.00 0.00 O ATOM 0 H SER A 77 15.493 2.150 -2.050 1.00 0.00 H new ATOM 0 HA SER A 77 14.228 4.779 -2.561 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.355 5.173 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.155 3.961 -2.468 1.00 0.00 H new ATOM 0 HG SER A 77 17.546 6.113 -3.239 1.00 0.00 H new ATOM 1137 N GLY A 78 15.104 4.639 -5.122 1.00 0.00 N ATOM 1138 CA GLY A 78 15.049 4.367 -6.547 1.00 0.00 C ATOM 1139 C GLY A 78 13.734 3.742 -6.967 1.00 0.00 C ATOM 1140 O GLY A 78 12.691 4.017 -6.375 1.00 0.00 O ATOM 0 H GLY A 78 15.270 5.615 -4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.198 5.296 -7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.868 3.701 -6.819 1.00 0.00 H new ATOM 1144 N SER A 79 13.783 2.899 -7.994 1.00 0.00 N ATOM 1145 CA SER A 79 12.585 2.237 -8.497 1.00 0.00 C ATOM 1146 C SER A 79 12.171 1.091 -7.578 1.00 0.00 C ATOM 1147 O SER A 79 12.830 0.053 -7.525 1.00 0.00 O ATOM 1148 CB SER A 79 12.825 1.709 -9.913 1.00 0.00 C ATOM 1149 OG SER A 79 12.878 2.769 -10.850 1.00 0.00 O ATOM 0 H SER A 79 14.639 2.659 -8.494 1.00 0.00 H new ATOM 0 HA SER A 79 11.778 2.969 -8.522 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.759 1.147 -9.942 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.028 1.017 -10.186 1.00 0.00 H new ATOM 0 HG SER A 79 13.034 2.406 -11.747 1.00 0.00 H new ATOM 1155 N VAL A 80 11.073 1.289 -6.855 1.00 0.00 N ATOM 1156 CA VAL A 80 10.569 0.273 -5.938 1.00 0.00 C ATOM 1157 C VAL A 80 9.292 -0.364 -6.473 1.00 0.00 C ATOM 1158 O VAL A 80 8.387 0.330 -6.938 1.00 0.00 O ATOM 1159 CB VAL A 80 10.289 0.865 -4.544 1.00 0.00 C ATOM 1160 CG1 VAL A 80 9.773 -0.211 -3.600 1.00 0.00 C ATOM 1161 CG2 VAL A 80 11.542 1.522 -3.983 1.00 0.00 C ATOM 0 H VAL A 80 10.516 2.143 -6.886 1.00 0.00 H new ATOM 0 HA VAL A 80 11.344 -0.489 -5.852 1.00 0.00 H new ATOM 0 HB VAL A 80 9.518 1.629 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.581 0.226 -2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.849 -0.631 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.519 -1.000 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.326 1.935 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.336 0.780 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.863 2.323 -4.650 1.00 0.00 H new ATOM 1171 N ILE A 81 9.225 -1.689 -6.403 1.00 0.00 N ATOM 1172 CA ILE A 81 8.057 -2.421 -6.879 1.00 0.00 C ATOM 1173 C ILE A 81 7.231 -2.956 -5.715 1.00 0.00 C ATOM 1174 O ILE A 81 7.776 -3.481 -4.743 1.00 0.00 O ATOM 1175 CB ILE A 81 8.461 -3.595 -7.790 1.00 0.00 C ATOM 1176 CG1 ILE A 81 8.963 -3.075 -9.138 1.00 0.00 C ATOM 1177 CG2 ILE A 81 7.287 -4.542 -7.985 1.00 0.00 C ATOM 1178 CD1 ILE A 81 9.999 -1.979 -9.016 1.00 0.00 C ATOM 0 H ILE A 81 9.965 -2.278 -6.021 1.00 0.00 H new ATOM 0 HA ILE A 81 7.456 -1.716 -7.454 1.00 0.00 H new ATOM 0 HB ILE A 81 9.271 -4.145 -7.311 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.389 -3.905 -9.703 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.116 -2.700 -9.712 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.588 -5.367 -8.631 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.972 -4.935 -7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.458 -4.004 -8.446 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.309 -1.659 -10.011 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.571 -1.132 -8.479 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.864 -2.355 -8.470 1.00 0.00 H new ATOM 1190 N LEU A 82 5.914 -2.821 -5.820 1.00 0.00 N ATOM 1191 CA LEU A 82 5.011 -3.293 -4.775 1.00 0.00 C ATOM 1192 C LEU A 82 3.879 -4.125 -5.370 1.00 0.00 C ATOM 1193 O LEU A 82 3.070 -3.625 -6.152 1.00 0.00 O ATOM 1194 CB LEU A 82 4.434 -2.108 -3.999 1.00 0.00 C ATOM 1195 CG LEU A 82 5.436 -1.286 -3.187 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.792 -0.003 -2.686 1.00 0.00 C ATOM 1197 CD2 LEU A 82 5.977 -2.103 -2.023 1.00 0.00 C ATOM 0 H LEU A 82 5.447 -2.389 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 82 5.582 -3.923 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.938 -1.443 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.667 -2.482 -3.321 1.00 0.00 H new ATOM 0 HG LEU A 82 6.270 -1.020 -3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.520 0.569 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.454 0.590 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.939 -0.247 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.688 -1.502 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.154 -2.400 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.477 -2.993 -2.405 1.00 0.00 H new ATOM 1209 N LYS A 83 3.826 -5.398 -4.992 1.00 0.00 N ATOM 1210 CA LYS A 83 2.792 -6.300 -5.484 1.00 0.00 C ATOM 1211 C LYS A 83 1.547 -6.231 -4.606 1.00 0.00 C ATOM 1212 O LYS A 83 1.569 -6.646 -3.447 1.00 0.00 O ATOM 1213 CB LYS A 83 3.318 -7.737 -5.527 1.00 0.00 C ATOM 1214 CG LYS A 83 2.622 -8.609 -6.558 1.00 0.00 C ATOM 1215 CD LYS A 83 3.540 -9.704 -7.074 1.00 0.00 C ATOM 1216 CE LYS A 83 2.827 -10.608 -8.068 1.00 0.00 C ATOM 1217 NZ LYS A 83 3.681 -11.753 -8.488 1.00 0.00 N ATOM 0 H LYS A 83 4.488 -5.828 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 83 2.522 -5.987 -6.493 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.386 -7.718 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.199 -8.188 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.732 -9.057 -6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.287 -7.991 -7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.412 -9.255 -7.550 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.905 -10.299 -6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.908 -10.986 -7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.540 -10.028 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.159 -12.345 -9.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.547 -11.393 -8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.934 -12.321 -7.655 1.00 0.00 H new ATOM 1231 N ILE A 84 0.462 -5.705 -5.166 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.792 -5.584 -4.434 1.00 0.00 C ATOM 1233 C ILE A 84 -1.811 -6.611 -4.916 1.00 0.00 C ATOM 1234 O ILE A 84 -1.726 -7.105 -6.041 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.394 -4.174 -4.578 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.282 -3.132 -4.718 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.282 -3.852 -3.385 1.00 0.00 C ATOM 1238 CD1 ILE A 84 0.473 -2.879 -3.432 1.00 0.00 C ATOM 0 H ILE A 84 0.427 -5.356 -6.124 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.563 -5.767 -3.384 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.006 -4.147 -5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.420 -3.462 -5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.715 -2.194 -5.066 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.700 -2.852 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.092 -4.579 -3.327 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.691 -3.894 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.246 -2.130 -3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.218 -2.518 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.936 -3.806 -3.093 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.775 -6.928 -4.059 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.813 -7.895 -4.397 1.00 0.00 C ATOM 1252 C LEU A 85 -5.159 -7.477 -3.813 1.00 0.00 C ATOM 1253 O LEU A 85 -5.218 -6.818 -2.775 1.00 0.00 O ATOM 1254 CB LEU A 85 -3.430 -9.284 -3.883 1.00 0.00 C ATOM 1255 CG LEU A 85 -2.657 -10.172 -4.859 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -1.161 -9.926 -4.733 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -2.980 -11.639 -4.616 1.00 0.00 C ATOM 0 H LEU A 85 -2.859 -6.529 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.904 -7.928 -5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.831 -9.163 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.342 -9.806 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.963 -9.917 -5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.627 -10.566 -5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.944 -8.882 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.839 -10.154 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.421 -12.256 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.703 -11.909 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.048 -11.805 -4.757 1.00 0.00 H new ATOM 1269 N SER A 86 -6.237 -7.867 -4.485 1.00 0.00 N ATOM 1270 CA SER A 86 -7.582 -7.532 -4.034 1.00 0.00 C ATOM 1271 C SER A 86 -7.850 -8.110 -2.648 1.00 0.00 C ATOM 1272 O SER A 86 -8.126 -7.377 -1.699 1.00 0.00 O ATOM 1273 CB SER A 86 -8.621 -8.055 -5.027 1.00 0.00 C ATOM 1274 OG SER A 86 -8.508 -7.398 -6.277 1.00 0.00 O ATOM 0 H SER A 86 -6.205 -8.416 -5.344 1.00 0.00 H new ATOM 0 HA SER A 86 -7.659 -6.446 -3.977 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.490 -9.128 -5.164 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.622 -7.905 -4.623 1.00 0.00 H new ATOM 0 HG SER A 86 -9.182 -7.752 -6.894 1.00 0.00 H new