USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 440 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 26 THR OG1 : rot -170:sc= -5.1! USER MOD Set 1.2: A 28 MET CE :methyl -175:sc= -1.7 (180deg=0) USER MOD Set 1.3: A 39 SER OG : rot 71:sc= 0.0201 USER MOD Single : A 1 ILE N :NH3+ 172:sc= -0.643 (180deg=-0.984) USER MOD Single : A 6 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.25) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 159:sc= 0.311 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 30:sc= -0.684 USER MOD Single : A 41 ASN :FLIP amide:sc= -3.51! C(o=-4.6!,f=-3.5!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= -1.71 USER MOD Single : A 50 ASN : amide:sc= -4.03! C(o=-4!,f=-8.2!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 9.773 -3.134 8.682 1.00 0.00 N ATOM 2 CA ILE A 1 8.732 -2.218 9.222 1.00 0.00 C ATOM 3 C ILE A 1 7.567 -2.074 8.243 1.00 0.00 C ATOM 4 O ILE A 1 7.738 -1.563 7.137 1.00 0.00 O ATOM 5 CB ILE A 1 9.304 -0.813 9.523 1.00 0.00 C ATOM 6 CG1 ILE A 1 10.498 -0.501 8.616 1.00 0.00 C ATOM 7 CG2 ILE A 1 9.707 -0.711 10.985 1.00 0.00 C ATOM 8 CD1 ILE A 1 10.110 -0.190 7.186 1.00 0.00 C ATOM 0 H1 ILE A 1 10.610 -3.110 9.299 1.00 0.00 H new ATOM 0 H2 ILE A 1 9.397 -4.103 8.645 1.00 0.00 H new ATOM 0 H3 ILE A 1 10.040 -2.830 7.724 1.00 0.00 H new ATOM 0 HA ILE A 1 8.379 -2.663 10.152 1.00 0.00 H new ATOM 0 HB ILE A 1 8.525 -0.077 9.321 1.00 0.00 H new ATOM 0 HG12 ILE A 1 11.044 0.348 9.028 1.00 0.00 H new ATOM 0 HG13 ILE A 1 11.180 -1.352 8.622 1.00 0.00 H new ATOM 0 HG21 ILE A 1 10.108 0.283 11.183 1.00 0.00 H new ATOM 0 HG22 ILE A 1 8.835 -0.883 11.616 1.00 0.00 H new ATOM 0 HG23 ILE A 1 10.468 -1.460 11.206 1.00 0.00 H new ATOM 0 HD11 ILE A 1 11.007 0.021 6.603 1.00 0.00 H new ATOM 0 HD12 ILE A 1 9.590 -1.046 6.756 1.00 0.00 H new ATOM 0 HD13 ILE A 1 9.453 0.680 7.168 1.00 0.00 H new ATOM 22 N PRO A 2 6.362 -2.526 8.635 1.00 0.00 N ATOM 23 CA PRO A 2 5.176 -2.448 7.788 1.00 0.00 C ATOM 24 C PRO A 2 4.454 -1.109 7.914 1.00 0.00 C ATOM 25 O PRO A 2 4.993 -0.147 8.462 1.00 0.00 O ATOM 26 CB PRO A 2 4.310 -3.578 8.334 1.00 0.00 C ATOM 27 CG PRO A 2 4.628 -3.621 9.790 1.00 0.00 C ATOM 28 CD PRO A 2 6.058 -3.157 9.935 1.00 0.00 C ATOM 0 HA PRO A 2 5.413 -2.534 6.728 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.251 -3.384 8.164 1.00 0.00 H new ATOM 0 HB3 PRO A 2 4.542 -4.526 7.849 1.00 0.00 H new ATOM 0 HG2 PRO A 2 3.953 -2.976 10.353 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.507 -4.630 10.183 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.167 -2.450 10.757 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.729 -3.991 10.141 1.00 0.00 H new ATOM 36 N ALA A 3 3.226 -1.060 7.404 1.00 0.00 N ATOM 37 CA ALA A 3 2.418 0.146 7.455 1.00 0.00 C ATOM 38 C ALA A 3 1.028 -0.157 8.016 1.00 0.00 C ATOM 39 O ALA A 3 0.565 -1.296 7.956 1.00 0.00 O ATOM 40 CB ALA A 3 2.313 0.774 6.072 1.00 0.00 C ATOM 0 H ALA A 3 2.770 -1.850 6.948 1.00 0.00 H new ATOM 0 HA ALA A 3 2.905 0.858 8.121 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.704 1.677 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.310 1.030 5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.850 0.066 5.385 1.00 0.00 H new ATOM 46 N PHE A 4 0.367 0.865 8.559 1.00 0.00 N ATOM 47 CA PHE A 4 -0.962 0.697 9.133 1.00 0.00 C ATOM 48 C PHE A 4 -2.031 1.333 8.254 1.00 0.00 C ATOM 49 O PHE A 4 -2.053 2.547 8.067 1.00 0.00 O ATOM 50 CB PHE A 4 -1.014 1.306 10.531 1.00 0.00 C ATOM 51 CG PHE A 4 -1.785 0.479 11.523 1.00 0.00 C ATOM 52 CD1 PHE A 4 -2.940 -0.187 11.143 1.00 0.00 C ATOM 53 CD2 PHE A 4 -1.356 0.372 12.835 1.00 0.00 C ATOM 54 CE1 PHE A 4 -3.650 -0.945 12.053 1.00 0.00 C ATOM 55 CE2 PHE A 4 -2.063 -0.383 13.751 1.00 0.00 C ATOM 56 CZ PHE A 4 -3.212 -1.043 13.359 1.00 0.00 C ATOM 0 H PHE A 4 0.732 1.816 8.612 1.00 0.00 H new ATOM 0 HA PHE A 4 -1.164 -0.372 9.196 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.004 1.441 10.897 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.464 2.297 10.470 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.288 -0.112 10.124 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.458 0.885 13.146 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.547 -1.461 11.744 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.718 -0.457 14.772 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.766 -1.634 14.073 1.00 0.00 H new ATOM 66 N VAL A 5 -2.924 0.503 7.724 1.00 0.00 N ATOM 67 CA VAL A 5 -4.000 0.983 6.865 1.00 0.00 C ATOM 68 C VAL A 5 -5.172 1.518 7.684 1.00 0.00 C ATOM 69 O VAL A 5 -5.435 1.049 8.791 1.00 0.00 O ATOM 70 CB VAL A 5 -4.504 -0.134 5.931 1.00 0.00 C ATOM 71 CG1 VAL A 5 -5.565 0.397 4.978 1.00 0.00 C ATOM 72 CG2 VAL A 5 -3.345 -0.748 5.162 1.00 0.00 C ATOM 0 H VAL A 5 -2.923 -0.506 7.875 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.588 1.795 6.266 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.960 -0.913 6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.906 -0.409 4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.408 0.783 5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.141 1.198 4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.719 -1.535 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.858 0.021 4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.626 -1.171 5.864 1.00 0.00 H new ATOM 82 N LYS A 6 -5.871 2.502 7.126 1.00 0.00 N ATOM 83 CA LYS A 6 -7.017 3.105 7.800 1.00 0.00 C ATOM 84 C LYS A 6 -8.324 2.655 7.159 1.00 0.00 C ATOM 85 O LYS A 6 -9.297 2.351 7.851 1.00 0.00 O ATOM 86 CB LYS A 6 -6.915 4.632 7.759 1.00 0.00 C ATOM 87 CG LYS A 6 -5.549 5.162 8.165 1.00 0.00 C ATOM 88 CD LYS A 6 -5.097 6.295 7.256 1.00 0.00 C ATOM 89 CE LYS A 6 -6.065 7.466 7.303 1.00 0.00 C ATOM 90 NZ LYS A 6 -5.752 8.487 6.264 1.00 0.00 N ATOM 0 H LYS A 6 -5.664 2.899 6.209 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.010 2.775 8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.144 4.976 6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.671 5.056 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.586 5.514 9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.819 4.353 8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.104 6.630 7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.014 5.931 6.232 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.082 7.102 7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -6.028 7.928 8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.568 9.121 6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.924 9.042 6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.545 8.012 5.362 1.00 0.00 H new ATOM 104 N PHE A 7 -8.334 2.617 5.836 1.00 0.00 N ATOM 105 CA PHE A 7 -9.511 2.205 5.085 1.00 0.00 C ATOM 106 C PHE A 7 -9.180 1.052 4.144 1.00 0.00 C ATOM 107 O PHE A 7 -8.024 0.854 3.770 1.00 0.00 O ATOM 108 CB PHE A 7 -10.084 3.384 4.298 1.00 0.00 C ATOM 109 CG PHE A 7 -11.532 3.652 4.593 1.00 0.00 C ATOM 110 CD1 PHE A 7 -11.933 4.050 5.857 1.00 0.00 C ATOM 111 CD2 PHE A 7 -12.493 3.505 3.604 1.00 0.00 C ATOM 112 CE1 PHE A 7 -13.266 4.297 6.132 1.00 0.00 C ATOM 113 CE2 PHE A 7 -13.826 3.750 3.872 1.00 0.00 C ATOM 114 CZ PHE A 7 -14.213 4.146 5.137 1.00 0.00 C ATOM 0 H PHE A 7 -7.534 2.869 5.256 1.00 0.00 H new ATOM 0 HA PHE A 7 -10.262 1.861 5.796 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.503 4.278 4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.968 3.190 3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -11.196 4.169 6.638 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -12.196 3.195 2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -13.566 4.607 7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -14.565 3.632 3.093 1.00 0.00 H new ATOM 0 HZ PHE A 7 -15.255 4.337 5.349 1.00 0.00 H new ATOM 124 N ALA A 8 -10.201 0.285 3.771 1.00 0.00 N ATOM 125 CA ALA A 8 -10.016 -0.851 2.886 1.00 0.00 C ATOM 126 C ALA A 8 -10.604 -0.594 1.502 1.00 0.00 C ATOM 127 O ALA A 8 -11.653 0.034 1.367 1.00 0.00 O ATOM 128 CB ALA A 8 -10.640 -2.097 3.490 1.00 0.00 C ATOM 0 H ALA A 8 -11.165 0.434 4.071 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.943 -1.003 2.770 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.494 -2.941 2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.168 -2.312 4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.707 -1.933 3.640 1.00 0.00 H new ATOM 134 N TYR A 9 -9.924 -1.099 0.478 1.00 0.00 N ATOM 135 CA TYR A 9 -10.378 -0.945 -0.897 1.00 0.00 C ATOM 136 C TYR A 9 -10.414 -2.300 -1.595 1.00 0.00 C ATOM 137 O TYR A 9 -9.392 -2.978 -1.703 1.00 0.00 O ATOM 138 CB TYR A 9 -9.456 0.011 -1.657 1.00 0.00 C ATOM 139 CG TYR A 9 -10.170 0.852 -2.690 1.00 0.00 C ATOM 140 CD1 TYR A 9 -10.553 0.312 -3.911 1.00 0.00 C ATOM 141 CD2 TYR A 9 -10.462 2.188 -2.443 1.00 0.00 C ATOM 142 CE1 TYR A 9 -11.206 1.079 -4.857 1.00 0.00 C ATOM 143 CE2 TYR A 9 -11.114 2.961 -3.384 1.00 0.00 C ATOM 144 CZ TYR A 9 -11.484 2.402 -4.588 1.00 0.00 C ATOM 145 OH TYR A 9 -12.134 3.170 -5.528 1.00 0.00 O ATOM 0 H TYR A 9 -9.053 -1.620 0.577 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.385 -0.527 -0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.963 0.670 -0.943 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.674 -0.567 -2.150 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -10.337 -0.724 -4.125 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -10.175 2.629 -1.500 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -11.497 0.644 -5.802 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -11.333 3.998 -3.177 1.00 0.00 H new ATOM 0 HH TYR A 9 -12.254 4.079 -5.182 1.00 0.00 H new ATOM 155 N VAL A 10 -11.593 -2.696 -2.063 1.00 0.00 N ATOM 156 CA VAL A 10 -11.745 -3.973 -2.742 1.00 0.00 C ATOM 157 C VAL A 10 -11.486 -3.830 -4.235 1.00 0.00 C ATOM 158 O VAL A 10 -12.291 -3.251 -4.963 1.00 0.00 O ATOM 159 CB VAL A 10 -13.153 -4.561 -2.528 1.00 0.00 C ATOM 160 CG1 VAL A 10 -13.385 -4.866 -1.056 1.00 0.00 C ATOM 161 CG2 VAL A 10 -14.218 -3.610 -3.059 1.00 0.00 C ATOM 0 H VAL A 10 -12.452 -2.152 -1.984 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.010 -4.652 -2.310 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.225 -5.495 -3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.384 -5.281 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.644 -5.588 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.293 -3.948 -0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.205 -4.043 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.150 -2.658 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.062 -3.448 -4.126 1.00 0.00 H new ATOM 171 N ALA A 11 -10.348 -4.363 -4.681 1.00 0.00 N ATOM 172 CA ALA A 11 -9.957 -4.302 -6.087 1.00 0.00 C ATOM 173 C ALA A 11 -8.470 -4.565 -6.252 1.00 0.00 C ATOM 174 O ALA A 11 -7.647 -3.730 -5.878 1.00 0.00 O ATOM 175 CB ALA A 11 -10.306 -2.945 -6.688 1.00 0.00 C ATOM 0 H ALA A 11 -9.677 -4.845 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.511 -5.078 -6.615 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.006 -2.923 -7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.381 -2.780 -6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.781 -2.160 -6.143 1.00 0.00 H new ATOM 181 N GLU A 12 -8.117 -5.713 -6.832 1.00 0.00 N ATOM 182 CA GLU A 12 -6.713 -6.022 -7.057 1.00 0.00 C ATOM 183 C GLU A 12 -6.466 -6.289 -8.537 1.00 0.00 C ATOM 184 O GLU A 12 -6.948 -7.272 -9.101 1.00 0.00 O ATOM 185 CB GLU A 12 -6.287 -7.235 -6.226 1.00 0.00 C ATOM 186 CG GLU A 12 -6.748 -7.174 -4.779 1.00 0.00 C ATOM 187 CD GLU A 12 -7.347 -8.483 -4.301 1.00 0.00 C ATOM 188 OE1 GLU A 12 -6.583 -9.343 -3.814 1.00 0.00 O ATOM 189 OE2 GLU A 12 -8.580 -8.647 -4.413 1.00 0.00 O ATOM 0 H GLU A 12 -8.772 -6.428 -7.147 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.117 -5.164 -6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.685 -8.139 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.200 -7.317 -6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.902 -6.912 -4.143 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.487 -6.380 -4.670 1.00 0.00 H new ATOM 196 N ARG A 13 -5.696 -5.400 -9.142 1.00 0.00 N ATOM 197 CA ARG A 13 -5.333 -5.482 -10.541 1.00 0.00 C ATOM 198 C ARG A 13 -4.082 -4.642 -10.767 1.00 0.00 C ATOM 199 O ARG A 13 -3.841 -3.691 -10.022 1.00 0.00 O ATOM 200 CB ARG A 13 -6.503 -4.995 -11.409 1.00 0.00 C ATOM 201 CG ARG A 13 -6.107 -4.431 -12.767 1.00 0.00 C ATOM 202 CD ARG A 13 -6.098 -2.912 -12.749 1.00 0.00 C ATOM 203 NE ARG A 13 -7.221 -2.349 -13.496 1.00 0.00 N ATOM 204 CZ ARG A 13 -7.707 -1.125 -13.297 1.00 0.00 C ATOM 205 NH1 ARG A 13 -7.171 -0.331 -12.379 1.00 0.00 N ATOM 206 NH2 ARG A 13 -8.731 -0.694 -14.019 1.00 0.00 N ATOM 0 H ARG A 13 -5.301 -4.590 -8.665 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.120 -6.513 -10.823 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.191 -5.826 -11.564 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.049 -4.228 -10.859 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.119 -4.800 -13.043 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.803 -4.784 -13.528 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.136 -2.561 -11.718 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.162 -2.550 -13.174 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.659 -2.928 -14.213 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.382 -0.657 -11.821 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.548 0.605 -12.232 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.147 -1.300 -14.727 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.104 0.243 -13.867 1.00 0.00 H new ATOM 220 N GLU A 14 -3.302 -4.950 -11.789 1.00 0.00 N ATOM 221 CA GLU A 14 -2.116 -4.157 -12.063 1.00 0.00 C ATOM 222 C GLU A 14 -2.528 -2.726 -12.409 1.00 0.00 C ATOM 223 O GLU A 14 -3.018 -2.477 -13.509 1.00 0.00 O ATOM 224 CB GLU A 14 -1.333 -4.767 -13.225 1.00 0.00 C ATOM 225 CG GLU A 14 -2.208 -5.107 -14.423 1.00 0.00 C ATOM 226 CD GLU A 14 -1.990 -6.521 -14.926 1.00 0.00 C ATOM 227 OE1 GLU A 14 -1.996 -7.455 -14.096 1.00 0.00 O ATOM 228 OE2 GLU A 14 -1.814 -6.694 -16.151 1.00 0.00 O ATOM 0 H GLU A 14 -3.463 -5.726 -12.431 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.480 -4.147 -11.178 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.556 -4.070 -13.537 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.831 -5.671 -12.881 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.256 -4.981 -14.150 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.002 -4.403 -15.229 1.00 0.00 H new ATOM 235 N ASP A 15 -2.317 -1.798 -11.464 1.00 0.00 N ATOM 236 CA ASP A 15 -2.658 -0.374 -11.643 1.00 0.00 C ATOM 237 C ASP A 15 -3.374 0.192 -10.415 1.00 0.00 C ATOM 238 O ASP A 15 -3.077 1.301 -9.972 1.00 0.00 O ATOM 239 CB ASP A 15 -3.527 -0.142 -12.892 1.00 0.00 C ATOM 240 CG ASP A 15 -4.067 1.274 -12.978 1.00 0.00 C ATOM 241 OD1 ASP A 15 -3.412 2.194 -12.446 1.00 0.00 O ATOM 242 OD2 ASP A 15 -5.147 1.461 -13.576 1.00 0.00 O ATOM 0 H ASP A 15 -1.906 -2.010 -10.555 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.712 0.151 -11.776 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.938 -0.356 -13.784 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.361 -0.844 -12.885 1.00 0.00 H new ATOM 247 N GLU A 16 -4.325 -0.564 -9.879 1.00 0.00 N ATOM 248 CA GLU A 16 -5.087 -0.131 -8.720 1.00 0.00 C ATOM 249 C GLU A 16 -4.505 -0.732 -7.445 1.00 0.00 C ATOM 250 O GLU A 16 -3.918 -1.813 -7.468 1.00 0.00 O ATOM 251 CB GLU A 16 -6.572 -0.503 -8.908 1.00 0.00 C ATOM 252 CG GLU A 16 -7.133 -1.483 -7.898 1.00 0.00 C ATOM 253 CD GLU A 16 -6.741 -2.911 -8.188 1.00 0.00 C ATOM 254 OE1 GLU A 16 -5.639 -3.318 -7.772 1.00 0.00 O ATOM 255 OE2 GLU A 16 -7.542 -3.628 -8.824 1.00 0.00 O ATOM 0 H GLU A 16 -4.586 -1.484 -10.233 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.021 0.953 -8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.165 0.411 -8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.699 -0.924 -9.905 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.784 -1.211 -6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.220 -1.405 -7.888 1.00 0.00 H new ATOM 262 N LEU A 17 -4.651 -0.017 -6.338 1.00 0.00 N ATOM 263 CA LEU A 17 -4.125 -0.485 -5.063 1.00 0.00 C ATOM 264 C LEU A 17 -5.251 -0.846 -4.097 1.00 0.00 C ATOM 265 O LEU A 17 -6.082 -0.006 -3.754 1.00 0.00 O ATOM 266 CB LEU A 17 -3.220 0.579 -4.431 1.00 0.00 C ATOM 267 CG LEU A 17 -3.821 1.986 -4.351 1.00 0.00 C ATOM 268 CD1 LEU A 17 -4.439 2.224 -2.982 1.00 0.00 C ATOM 269 CD2 LEU A 17 -2.760 3.037 -4.650 1.00 0.00 C ATOM 0 H LEU A 17 -5.127 0.884 -6.297 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.539 -1.383 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.957 0.256 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.293 0.630 -5.002 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.607 2.069 -5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.861 3.228 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.227 1.492 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.672 2.123 -2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.204 4.030 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.952 2.955 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.363 2.878 -5.653 1.00 0.00 H new ATOM 281 N SER A 18 -5.265 -2.102 -3.657 1.00 0.00 N ATOM 282 CA SER A 18 -6.279 -2.579 -2.727 1.00 0.00 C ATOM 283 C SER A 18 -5.869 -2.283 -1.286 1.00 0.00 C ATOM 284 O SER A 18 -4.682 -2.282 -0.958 1.00 0.00 O ATOM 285 CB SER A 18 -6.514 -4.079 -2.916 1.00 0.00 C ATOM 286 OG SER A 18 -5.651 -4.843 -2.089 1.00 0.00 O ATOM 0 H SER A 18 -4.582 -2.808 -3.932 1.00 0.00 H new ATOM 0 HA SER A 18 -7.210 -2.052 -2.935 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.551 -4.319 -2.683 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.352 -4.346 -3.960 1.00 0.00 H new ATOM 0 HG SER A 18 -5.824 -5.797 -2.229 1.00 0.00 H new ATOM 292 N LEU A 19 -6.853 -2.020 -0.431 1.00 0.00 N ATOM 293 CA LEU A 19 -6.583 -1.711 0.971 1.00 0.00 C ATOM 294 C LEU A 19 -7.376 -2.615 1.909 1.00 0.00 C ATOM 295 O LEU A 19 -8.463 -3.081 1.570 1.00 0.00 O ATOM 296 CB LEU A 19 -6.910 -0.246 1.261 1.00 0.00 C ATOM 297 CG LEU A 19 -6.510 0.726 0.157 1.00 0.00 C ATOM 298 CD1 LEU A 19 -6.943 2.141 0.508 1.00 0.00 C ATOM 299 CD2 LEU A 19 -5.012 0.666 -0.080 1.00 0.00 C ATOM 0 H LEU A 19 -7.842 -2.014 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.523 -1.889 1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.982 -0.155 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.410 0.048 2.184 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.017 0.434 -0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.649 2.821 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.026 2.171 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.465 2.447 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.740 1.365 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.488 0.934 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.731 -0.344 -0.377 1.00 0.00 H new ATOM 311 N VAL A 20 -6.821 -2.851 3.091 1.00 0.00 N ATOM 312 CA VAL A 20 -7.470 -3.695 4.091 1.00 0.00 C ATOM 313 C VAL A 20 -8.255 -2.854 5.095 1.00 0.00 C ATOM 314 O VAL A 20 -8.041 -1.647 5.211 1.00 0.00 O ATOM 315 CB VAL A 20 -6.452 -4.558 4.860 1.00 0.00 C ATOM 316 CG1 VAL A 20 -7.140 -5.759 5.493 1.00 0.00 C ATOM 317 CG2 VAL A 20 -5.319 -5.004 3.947 1.00 0.00 C ATOM 0 H VAL A 20 -5.921 -2.470 3.383 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.151 -4.350 3.547 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.023 -3.950 5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.405 -6.357 6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.907 -5.415 6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.601 -6.366 4.714 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.613 -5.612 4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.725 -5.592 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.806 -4.128 3.549 1.00 0.00 H new ATOM 327 N LYS A 21 -9.169 -3.500 5.816 1.00 0.00 N ATOM 328 CA LYS A 21 -9.992 -2.814 6.807 1.00 0.00 C ATOM 329 C LYS A 21 -9.242 -2.625 8.122 1.00 0.00 C ATOM 330 O LYS A 21 -9.447 -1.636 8.825 1.00 0.00 O ATOM 331 CB LYS A 21 -11.281 -3.599 7.062 1.00 0.00 C ATOM 332 CG LYS A 21 -12.167 -3.748 5.834 1.00 0.00 C ATOM 333 CD LYS A 21 -11.616 -4.774 4.852 1.00 0.00 C ATOM 334 CE LYS A 21 -11.348 -6.112 5.522 1.00 0.00 C ATOM 335 NZ LYS A 21 -11.759 -7.256 4.660 1.00 0.00 N ATOM 0 H LYS A 21 -9.358 -4.499 5.732 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.236 -1.830 6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.023 -4.591 7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.848 -3.101 7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.169 -4.045 6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.260 -2.783 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.325 -4.912 4.035 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.693 -4.397 4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.286 -6.196 5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.886 -6.159 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.560 -8.150 5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.777 -7.191 4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.227 -7.226 3.767 1.00 0.00 H new ATOM 349 N GLY A 22 -8.378 -3.579 8.452 1.00 0.00 N ATOM 350 CA GLY A 22 -7.621 -3.492 9.683 1.00 0.00 C ATOM 351 C GLY A 22 -6.417 -4.404 9.696 1.00 0.00 C ATOM 352 O GLY A 22 -6.328 -5.325 10.509 1.00 0.00 O ATOM 0 H GLY A 22 -8.190 -4.409 7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.293 -2.463 9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.270 -3.743 10.522 1.00 0.00 H new ATOM 356 N SER A 23 -5.487 -4.139 8.797 1.00 0.00 N ATOM 357 CA SER A 23 -4.267 -4.923 8.695 1.00 0.00 C ATOM 358 C SER A 23 -3.073 -4.020 8.413 1.00 0.00 C ATOM 359 O SER A 23 -3.213 -2.800 8.337 1.00 0.00 O ATOM 360 CB SER A 23 -4.397 -5.982 7.605 1.00 0.00 C ATOM 361 OG SER A 23 -4.679 -7.257 8.159 1.00 0.00 O ATOM 0 H SER A 23 -5.554 -3.379 8.120 1.00 0.00 H new ATOM 0 HA SER A 23 -4.105 -5.426 9.648 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.190 -5.700 6.913 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.473 -6.029 7.028 1.00 0.00 H new ATOM 0 HG SER A 23 -4.759 -7.916 7.438 1.00 0.00 H new ATOM 367 N ARG A 24 -1.900 -4.623 8.261 1.00 0.00 N ATOM 368 CA ARG A 24 -0.689 -3.861 7.990 1.00 0.00 C ATOM 369 C ARG A 24 -0.056 -4.277 6.667 1.00 0.00 C ATOM 370 O ARG A 24 0.214 -5.455 6.441 1.00 0.00 O ATOM 371 CB ARG A 24 0.310 -4.035 9.125 1.00 0.00 C ATOM 372 CG ARG A 24 -0.226 -3.605 10.480 1.00 0.00 C ATOM 373 CD ARG A 24 0.406 -2.302 10.943 1.00 0.00 C ATOM 374 NE ARG A 24 0.578 -2.263 12.393 1.00 0.00 N ATOM 375 CZ ARG A 24 1.556 -2.892 13.040 1.00 0.00 C ATOM 376 NH1 ARG A 24 2.450 -3.610 12.372 1.00 0.00 N ATOM 377 NH2 ARG A 24 1.640 -2.804 14.360 1.00 0.00 N ATOM 0 H ARG A 24 -1.763 -5.632 8.321 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.966 -2.809 7.916 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.608 -5.082 9.178 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.207 -3.459 8.899 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.308 -3.485 10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.030 -4.386 11.214 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.375 -2.177 10.459 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.217 -1.465 10.629 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.091 -1.722 12.942 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.390 -3.682 11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.197 -4.090 12.874 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.955 -2.254 14.879 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.389 -3.286 14.857 1.00 0.00 H new ATOM 391 N VAL A 25 0.186 -3.298 5.804 1.00 0.00 N ATOM 392 CA VAL A 25 0.798 -3.547 4.500 1.00 0.00 C ATOM 393 C VAL A 25 2.200 -2.951 4.457 1.00 0.00 C ATOM 394 O VAL A 25 2.530 -2.098 5.276 1.00 0.00 O ATOM 395 CB VAL A 25 -0.053 -2.942 3.365 1.00 0.00 C ATOM 396 CG1 VAL A 25 0.537 -3.278 2.006 1.00 0.00 C ATOM 397 CG2 VAL A 25 -1.491 -3.423 3.463 1.00 0.00 C ATOM 0 H VAL A 25 -0.033 -2.318 5.983 1.00 0.00 H new ATOM 0 HA VAL A 25 0.855 -4.626 4.355 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.046 -1.858 3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.081 -2.840 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.548 -2.875 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.569 -4.360 1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.077 -2.986 2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.517 -4.510 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.912 -3.119 4.421 1.00 0.00 H new ATOM 407 N THR A 26 3.030 -3.386 3.510 1.00 0.00 N ATOM 408 CA THR A 26 4.385 -2.852 3.416 1.00 0.00 C ATOM 409 C THR A 26 4.502 -1.898 2.231 1.00 0.00 C ATOM 410 O THR A 26 4.728 -2.323 1.101 1.00 0.00 O ATOM 411 CB THR A 26 5.420 -3.994 3.302 1.00 0.00 C ATOM 412 OG1 THR A 26 6.347 -3.749 2.266 1.00 0.00 O ATOM 413 CG2 THR A 26 4.809 -5.362 3.064 1.00 0.00 C ATOM 0 H THR A 26 2.794 -4.091 2.812 1.00 0.00 H new ATOM 0 HA THR A 26 4.596 -2.295 4.329 1.00 0.00 H new ATOM 0 HB THR A 26 5.914 -4.007 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.886 -4.553 2.113 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.601 -6.108 2.996 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.145 -5.613 3.891 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.241 -5.350 2.134 1.00 0.00 H new ATOM 421 N VAL A 27 4.357 -0.606 2.496 1.00 0.00 N ATOM 422 CA VAL A 27 4.460 0.400 1.447 1.00 0.00 C ATOM 423 C VAL A 27 5.787 1.155 1.521 1.00 0.00 C ATOM 424 O VAL A 27 6.022 1.907 2.468 1.00 0.00 O ATOM 425 CB VAL A 27 3.297 1.411 1.518 1.00 0.00 C ATOM 426 CG1 VAL A 27 3.362 2.229 2.800 1.00 0.00 C ATOM 427 CG2 VAL A 27 3.307 2.320 0.298 1.00 0.00 C ATOM 0 H VAL A 27 4.168 -0.231 3.426 1.00 0.00 H new ATOM 0 HA VAL A 27 4.409 -0.135 0.498 1.00 0.00 H new ATOM 0 HB VAL A 27 2.361 0.852 1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.531 2.934 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.298 1.563 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.304 2.777 2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.480 3.027 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.249 2.866 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.199 1.719 -0.605 1.00 0.00 H new ATOM 437 N MET A 28 6.647 0.984 0.522 1.00 0.00 N ATOM 438 CA MET A 28 7.917 1.701 0.516 1.00 0.00 C ATOM 439 C MET A 28 8.631 1.611 -0.829 1.00 0.00 C ATOM 440 O MET A 28 9.301 0.625 -1.134 1.00 0.00 O ATOM 441 CB MET A 28 8.826 1.161 1.618 1.00 0.00 C ATOM 442 CG MET A 28 9.158 -0.307 1.445 1.00 0.00 C ATOM 443 SD MET A 28 8.669 -1.311 2.861 1.00 0.00 S ATOM 444 CE MET A 28 8.974 -2.959 2.230 1.00 0.00 C ATOM 0 H MET A 28 6.493 0.369 -0.277 1.00 0.00 H new ATOM 0 HA MET A 28 7.693 2.752 0.697 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.751 1.738 1.634 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.343 1.307 2.584 1.00 0.00 H new ATOM 0 HG2 MET A 28 8.661 -0.683 0.551 1.00 0.00 H new ATOM 0 HG3 MET A 28 10.231 -0.415 1.283 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.636 -3.696 2.958 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.431 -3.097 1.295 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.041 -3.089 2.052 1.00 0.00 H new ATOM 454 N GLU A 29 8.511 2.683 -1.602 1.00 0.00 N ATOM 455 CA GLU A 29 9.167 2.799 -2.897 1.00 0.00 C ATOM 456 C GLU A 29 9.672 4.223 -3.076 1.00 0.00 C ATOM 457 O GLU A 29 9.200 5.134 -2.394 1.00 0.00 O ATOM 458 CB GLU A 29 8.218 2.423 -4.035 1.00 0.00 C ATOM 459 CG GLU A 29 8.872 2.473 -5.407 1.00 0.00 C ATOM 460 CD GLU A 29 10.104 1.595 -5.498 1.00 0.00 C ATOM 461 OE1 GLU A 29 10.169 0.584 -4.766 1.00 0.00 O ATOM 462 OE2 GLU A 29 11.006 1.917 -6.301 1.00 0.00 O ATOM 0 H GLU A 29 7.954 3.499 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 29 10.007 2.105 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.833 1.418 -3.860 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.363 3.099 -4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.150 2.159 -6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.146 3.502 -5.637 1.00 0.00 H new ATOM 469 N LYS A 30 10.604 4.438 -3.997 1.00 0.00 N ATOM 470 CA LYS A 30 11.101 5.781 -4.228 1.00 0.00 C ATOM 471 C LYS A 30 11.301 6.059 -5.712 1.00 0.00 C ATOM 472 O LYS A 30 12.353 5.769 -6.281 1.00 0.00 O ATOM 473 CB LYS A 30 12.404 6.008 -3.464 1.00 0.00 C ATOM 474 CG LYS A 30 12.206 6.737 -2.145 1.00 0.00 C ATOM 475 CD LYS A 30 13.390 6.538 -1.212 1.00 0.00 C ATOM 476 CE LYS A 30 13.059 5.565 -0.092 1.00 0.00 C ATOM 477 NZ LYS A 30 13.401 4.163 -0.457 1.00 0.00 N ATOM 0 H LYS A 30 11.021 3.714 -4.583 1.00 0.00 H new ATOM 0 HA LYS A 30 10.349 6.478 -3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.877 5.045 -3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.089 6.581 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.066 7.801 -2.334 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.297 6.377 -1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.243 6.165 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.685 7.497 -0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.603 5.849 0.809 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.997 5.630 0.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.160 3.530 0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.863 3.883 -1.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.419 4.095 -0.657 1.00 0.00 H new ATOM 491 N CYS A 31 10.284 6.661 -6.317 1.00 0.00 N ATOM 492 CA CYS A 31 10.322 7.037 -7.723 1.00 0.00 C ATOM 493 C CYS A 31 10.434 8.550 -7.838 1.00 0.00 C ATOM 494 O CYS A 31 10.057 9.269 -6.911 1.00 0.00 O ATOM 495 CB CYS A 31 9.066 6.544 -8.443 1.00 0.00 C ATOM 496 SG CYS A 31 9.280 4.973 -9.312 1.00 0.00 S ATOM 0 H CYS A 31 9.411 6.901 -5.847 1.00 0.00 H new ATOM 0 HA CYS A 31 11.189 6.573 -8.193 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.262 6.437 -7.715 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.750 7.303 -9.159 1.00 0.00 H new ATOM 0 HG CYS A 31 8.118 4.424 -9.508 1.00 0.00 H new ATOM 502 N SER A 32 10.931 9.046 -8.964 1.00 0.00 N ATOM 503 CA SER A 32 11.045 10.487 -9.135 1.00 0.00 C ATOM 504 C SER A 32 9.807 11.037 -9.834 1.00 0.00 C ATOM 505 O SER A 32 9.224 12.026 -9.390 1.00 0.00 O ATOM 506 CB SER A 32 12.298 10.829 -9.943 1.00 0.00 C ATOM 507 OG SER A 32 12.265 12.174 -10.390 1.00 0.00 O ATOM 0 H SER A 32 11.254 8.488 -9.754 1.00 0.00 H new ATOM 0 HA SER A 32 11.126 10.947 -8.150 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.185 10.668 -9.330 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.376 10.160 -10.800 1.00 0.00 H new ATOM 0 HG SER A 32 13.077 12.368 -10.903 1.00 0.00 H new ATOM 513 N ASP A 33 9.394 10.375 -10.910 1.00 0.00 N ATOM 514 CA ASP A 33 8.204 10.788 -11.644 1.00 0.00 C ATOM 515 C ASP A 33 7.491 9.592 -12.270 1.00 0.00 C ATOM 516 O ASP A 33 7.869 9.149 -13.355 1.00 0.00 O ATOM 517 CB ASP A 33 8.577 11.802 -12.729 1.00 0.00 C ATOM 518 CG ASP A 33 8.351 13.234 -12.283 1.00 0.00 C ATOM 519 OD1 ASP A 33 7.177 13.619 -12.094 1.00 0.00 O ATOM 520 OD2 ASP A 33 9.346 13.971 -12.123 1.00 0.00 O ATOM 0 H ASP A 33 9.864 9.554 -11.292 1.00 0.00 H new ATOM 0 HA ASP A 33 7.520 11.254 -10.935 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.624 11.670 -13.002 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.987 11.606 -13.624 1.00 0.00 H new ATOM 525 N GLY A 34 6.452 9.075 -11.616 1.00 0.00 N ATOM 526 CA GLY A 34 5.737 7.959 -12.182 1.00 0.00 C ATOM 527 C GLY A 34 4.932 7.162 -11.173 1.00 0.00 C ATOM 528 O GLY A 34 4.389 7.703 -10.212 1.00 0.00 O ATOM 0 H GLY A 34 6.102 9.408 -10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.065 8.327 -12.957 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.450 7.294 -12.669 1.00 0.00 H new ATOM 532 N TRP A 35 4.851 5.868 -11.438 1.00 0.00 N ATOM 533 CA TRP A 35 4.100 4.924 -10.614 1.00 0.00 C ATOM 534 C TRP A 35 4.859 4.499 -9.357 1.00 0.00 C ATOM 535 O TRP A 35 6.038 4.152 -9.414 1.00 0.00 O ATOM 536 CB TRP A 35 3.775 3.683 -11.443 1.00 0.00 C ATOM 537 CG TRP A 35 4.991 2.955 -11.930 1.00 0.00 C ATOM 538 CD1 TRP A 35 6.277 3.421 -11.950 1.00 0.00 C ATOM 539 CD2 TRP A 35 5.036 1.631 -12.470 1.00 0.00 C ATOM 540 NE1 TRP A 35 7.113 2.466 -12.470 1.00 0.00 N ATOM 541 CE2 TRP A 35 6.376 1.358 -12.797 1.00 0.00 C ATOM 542 CE3 TRP A 35 4.071 0.647 -12.709 1.00 0.00 C ATOM 543 CZ2 TRP A 35 6.777 0.144 -13.350 1.00 0.00 C ATOM 544 CZ3 TRP A 35 4.469 -0.557 -13.258 1.00 0.00 C ATOM 545 CH2 TRP A 35 5.812 -0.800 -13.573 1.00 0.00 C ATOM 0 H TRP A 35 5.309 5.435 -12.240 1.00 0.00 H new ATOM 0 HA TRP A 35 3.191 5.430 -10.290 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.170 3.003 -10.843 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.169 3.977 -12.300 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.588 4.397 -11.607 1.00 0.00 H new ATOM 0 HE1 TRP A 35 8.121 2.565 -12.593 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.033 0.825 -12.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.812 -0.045 -13.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.732 -1.324 -13.447 1.00 0.00 H new ATOM 0 HH2 TRP A 35 6.091 -1.752 -14.000 1.00 0.00 H new ATOM 556 N TRP A 36 4.162 4.507 -8.224 1.00 0.00 N ATOM 557 CA TRP A 36 4.753 4.098 -6.959 1.00 0.00 C ATOM 558 C TRP A 36 4.418 2.635 -6.669 1.00 0.00 C ATOM 559 O TRP A 36 3.262 2.221 -6.768 1.00 0.00 O ATOM 560 CB TRP A 36 4.257 4.991 -5.819 1.00 0.00 C ATOM 561 CG TRP A 36 5.343 5.800 -5.179 1.00 0.00 C ATOM 562 CD1 TRP A 36 6.307 6.527 -5.813 1.00 0.00 C ATOM 563 CD2 TRP A 36 5.576 5.960 -3.775 1.00 0.00 C ATOM 564 NE1 TRP A 36 7.128 7.131 -4.889 1.00 0.00 N ATOM 565 CE2 TRP A 36 6.697 6.798 -3.630 1.00 0.00 C ATOM 566 CE3 TRP A 36 4.943 5.478 -2.626 1.00 0.00 C ATOM 567 CZ2 TRP A 36 7.200 7.163 -2.384 1.00 0.00 C ATOM 568 CZ3 TRP A 36 5.442 5.841 -1.389 1.00 0.00 C ATOM 569 CH2 TRP A 36 6.560 6.677 -1.277 1.00 0.00 C ATOM 0 H TRP A 36 3.185 4.793 -8.159 1.00 0.00 H new ATOM 0 HA TRP A 36 5.835 4.204 -7.033 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.491 5.665 -6.203 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.783 4.368 -5.060 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.411 6.616 -6.884 1.00 0.00 H new ATOM 0 HE1 TRP A 36 7.926 7.728 -5.105 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.080 4.834 -2.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 8.063 7.806 -2.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.962 5.474 -0.494 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.925 6.944 -0.296 1.00 0.00 H new ATOM 580 N ARG A 37 5.433 1.857 -6.317 1.00 0.00 N ATOM 581 CA ARG A 37 5.247 0.439 -6.020 1.00 0.00 C ATOM 582 C ARG A 37 5.177 0.185 -4.523 1.00 0.00 C ATOM 583 O ARG A 37 5.758 0.920 -3.725 1.00 0.00 O ATOM 584 CB ARG A 37 6.360 -0.407 -6.628 1.00 0.00 C ATOM 585 CG ARG A 37 5.936 -1.840 -6.898 1.00 0.00 C ATOM 586 CD ARG A 37 5.477 -2.028 -8.335 1.00 0.00 C ATOM 587 NE ARG A 37 6.040 -3.235 -8.937 1.00 0.00 N ATOM 588 CZ ARG A 37 7.320 -3.368 -9.277 1.00 0.00 C ATOM 589 NH1 ARG A 37 8.175 -2.373 -9.072 1.00 0.00 N ATOM 590 NH2 ARG A 37 7.747 -4.499 -9.821 1.00 0.00 N ATOM 0 H ARG A 37 6.396 2.183 -6.229 1.00 0.00 H new ATOM 0 HA ARG A 37 4.297 0.148 -6.468 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.688 0.051 -7.561 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.217 -0.408 -5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.769 -2.511 -6.691 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.129 -2.115 -6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.389 -2.083 -8.364 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.768 -1.159 -8.925 1.00 0.00 H new ATOM 0 HE ARG A 37 5.415 -4.023 -9.107 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.852 -1.501 -8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.155 -2.480 -9.334 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.095 -5.267 -9.979 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.728 -4.601 -10.082 1.00 0.00 H new ATOM 604 N GLY A 38 4.454 -0.861 -4.151 1.00 0.00 N ATOM 605 CA GLY A 38 4.310 -1.204 -2.749 1.00 0.00 C ATOM 606 C GLY A 38 4.322 -2.702 -2.508 1.00 0.00 C ATOM 607 O GLY A 38 4.166 -3.490 -3.440 1.00 0.00 O ATOM 0 H GLY A 38 3.963 -1.480 -4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.118 -0.742 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.377 -0.787 -2.371 1.00 0.00 H new ATOM 611 N SER A 39 4.500 -3.091 -1.249 1.00 0.00 N ATOM 612 CA SER A 39 4.525 -4.498 -0.873 1.00 0.00 C ATOM 613 C SER A 39 3.373 -4.817 0.064 1.00 0.00 C ATOM 614 O SER A 39 2.845 -3.931 0.734 1.00 0.00 O ATOM 615 CB SER A 39 5.853 -4.859 -0.198 1.00 0.00 C ATOM 616 OG SER A 39 6.816 -3.837 -0.383 1.00 0.00 O ATOM 0 H SER A 39 4.630 -2.446 -0.469 1.00 0.00 H new ATOM 0 HA SER A 39 4.422 -5.090 -1.782 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.690 -5.020 0.868 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.230 -5.796 -0.608 1.00 0.00 H new ATOM 0 HG SER A 39 6.569 -3.054 0.151 1.00 0.00 H new ATOM 622 N TYR A 40 2.988 -6.083 0.107 1.00 0.00 N ATOM 623 CA TYR A 40 1.896 -6.514 0.966 1.00 0.00 C ATOM 624 C TYR A 40 2.108 -7.950 1.432 1.00 0.00 C ATOM 625 O TYR A 40 2.641 -8.782 0.697 1.00 0.00 O ATOM 626 CB TYR A 40 0.566 -6.382 0.225 1.00 0.00 C ATOM 627 CG TYR A 40 -0.646 -6.699 1.073 1.00 0.00 C ATOM 628 CD1 TYR A 40 -0.896 -7.994 1.510 1.00 0.00 C ATOM 629 CD2 TYR A 40 -1.543 -5.701 1.430 1.00 0.00 C ATOM 630 CE1 TYR A 40 -2.006 -8.285 2.280 1.00 0.00 C ATOM 631 CE2 TYR A 40 -2.654 -5.984 2.200 1.00 0.00 C ATOM 632 CZ TYR A 40 -2.882 -7.276 2.623 1.00 0.00 C ATOM 633 OH TYR A 40 -3.989 -7.561 3.388 1.00 0.00 O ATOM 0 H TYR A 40 3.415 -6.829 -0.442 1.00 0.00 H new ATOM 0 HA TYR A 40 1.874 -5.873 1.848 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.474 -5.365 -0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.576 -7.047 -0.639 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.212 -8.786 1.244 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -1.369 -4.687 1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.187 -9.297 2.611 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.342 -5.196 2.470 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.792 -8.318 3.979 1.00 0.00 H new ATOM 643 N ASN A 41 1.693 -8.227 2.661 1.00 0.00 N ATOM 644 CA ASN A 41 1.839 -9.556 3.242 1.00 0.00 C ATOM 645 C ASN A 41 1.100 -10.597 2.411 1.00 0.00 C ATOM 646 O ASN A 41 -0.057 -10.921 2.684 1.00 0.00 O ATOM 647 CB ASN A 41 1.311 -9.572 4.680 1.00 0.00 C ATOM 648 CG ASN A 41 0.003 -8.815 4.824 1.00 0.00 C ATOM 649 OD1 ASN A 41 0.099 -7.508 5.040 1.00 0.00 O flip ATOM 650 ND2 ASN A 41 -1.079 -9.398 4.741 1.00 0.00 N flip ATOM 0 H ASN A 41 1.250 -7.546 3.278 1.00 0.00 H new ATOM 0 HA ASN A 41 2.900 -9.805 3.248 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.168 -10.604 5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.057 -9.133 5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.105 -10.404 4.574 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.949 -8.875 4.839 1.00 0.00 H new ATOM 657 N GLY A 42 1.778 -11.117 1.394 1.00 0.00 N ATOM 658 CA GLY A 42 1.182 -12.112 0.533 1.00 0.00 C ATOM 659 C GLY A 42 1.591 -11.940 -0.914 1.00 0.00 C ATOM 660 O GLY A 42 1.748 -12.918 -1.645 1.00 0.00 O ATOM 0 H GLY A 42 2.736 -10.863 1.152 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.472 -13.106 0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.096 -12.053 0.611 1.00 0.00 H new ATOM 664 N GLN A 43 1.766 -10.693 -1.324 1.00 0.00 N ATOM 665 CA GLN A 43 2.164 -10.384 -2.690 1.00 0.00 C ATOM 666 C GLN A 43 2.534 -8.912 -2.835 1.00 0.00 C ATOM 667 O GLN A 43 2.279 -8.106 -1.940 1.00 0.00 O ATOM 668 CB GLN A 43 1.042 -10.741 -3.668 1.00 0.00 C ATOM 669 CG GLN A 43 -0.338 -10.303 -3.202 1.00 0.00 C ATOM 670 CD GLN A 43 -1.450 -11.070 -3.885 1.00 0.00 C ATOM 671 OE1 GLN A 43 -1.742 -10.852 -5.061 1.00 0.00 O ATOM 672 NE2 GLN A 43 -2.079 -11.975 -3.147 1.00 0.00 N ATOM 0 H GLN A 43 1.638 -9.875 -0.728 1.00 0.00 H new ATOM 0 HA GLN A 43 3.044 -10.983 -2.925 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.253 -10.280 -4.633 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.038 -11.820 -3.824 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.415 -10.441 -2.124 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.463 -9.238 -3.397 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -1.803 -12.122 -2.176 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.838 -12.524 -3.550 1.00 0.00 H new ATOM 681 N ILE A 44 3.134 -8.568 -3.970 1.00 0.00 N ATOM 682 CA ILE A 44 3.537 -7.194 -4.236 1.00 0.00 C ATOM 683 C ILE A 44 2.679 -6.584 -5.339 1.00 0.00 C ATOM 684 O ILE A 44 2.161 -7.294 -6.202 1.00 0.00 O ATOM 685 CB ILE A 44 5.033 -7.117 -4.623 1.00 0.00 C ATOM 686 CG1 ILE A 44 5.888 -7.039 -3.360 1.00 0.00 C ATOM 687 CG2 ILE A 44 5.318 -5.922 -5.527 1.00 0.00 C ATOM 688 CD1 ILE A 44 5.878 -8.314 -2.544 1.00 0.00 C ATOM 0 H ILE A 44 3.352 -9.224 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 44 3.389 -6.622 -3.320 1.00 0.00 H new ATOM 0 HB ILE A 44 5.286 -8.019 -5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.915 -6.804 -3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.531 -6.217 -2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.378 -5.900 -5.778 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.730 -6.009 -6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.049 -5.002 -5.009 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.506 -8.187 -1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.858 -8.539 -2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.263 -9.136 -3.148 1.00 0.00 H new ATOM 700 N GLY A 45 2.532 -5.264 -5.304 1.00 0.00 N ATOM 701 CA GLY A 45 1.732 -4.587 -6.309 1.00 0.00 C ATOM 702 C GLY A 45 1.926 -3.082 -6.315 1.00 0.00 C ATOM 703 O GLY A 45 3.046 -2.591 -6.457 1.00 0.00 O ATOM 0 H GLY A 45 2.950 -4.653 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.985 -4.983 -7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.679 -4.810 -6.137 1.00 0.00 H new ATOM 707 N TRP A 46 0.826 -2.350 -6.172 1.00 0.00 N ATOM 708 CA TRP A 46 0.858 -0.900 -6.174 1.00 0.00 C ATOM 709 C TRP A 46 0.824 -0.358 -4.747 1.00 0.00 C ATOM 710 O TRP A 46 0.193 -0.944 -3.868 1.00 0.00 O ATOM 711 CB TRP A 46 -0.335 -0.374 -6.970 1.00 0.00 C ATOM 712 CG TRP A 46 -0.029 0.858 -7.751 1.00 0.00 C ATOM 713 CD1 TRP A 46 0.027 2.122 -7.265 1.00 0.00 C ATOM 714 CD2 TRP A 46 0.262 0.947 -9.149 1.00 0.00 C ATOM 715 NE1 TRP A 46 0.340 3.005 -8.271 1.00 0.00 N ATOM 716 CE2 TRP A 46 0.486 2.305 -9.440 1.00 0.00 C ATOM 717 CE3 TRP A 46 0.355 0.010 -10.181 1.00 0.00 C ATOM 718 CZ2 TRP A 46 0.797 2.749 -10.723 1.00 0.00 C ATOM 719 CZ3 TRP A 46 0.665 0.451 -11.453 1.00 0.00 C ATOM 720 CH2 TRP A 46 0.883 1.810 -11.715 1.00 0.00 C ATOM 0 H TRP A 46 -0.106 -2.747 -6.052 1.00 0.00 H new ATOM 0 HA TRP A 46 1.784 -0.563 -6.640 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.678 -1.152 -7.652 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.156 -0.166 -6.284 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -0.149 2.396 -6.235 1.00 0.00 H new ATOM 0 HE1 TRP A 46 0.446 4.014 -8.165 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.188 -1.039 -9.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.964 3.796 -10.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 0.741 -0.264 -12.259 1.00 0.00 H new ATOM 0 HH2 TRP A 46 1.124 2.123 -12.720 1.00 0.00 H new ATOM 731 N PHE A 47 1.517 0.756 -4.519 1.00 0.00 N ATOM 732 CA PHE A 47 1.571 1.357 -3.190 1.00 0.00 C ATOM 733 C PHE A 47 0.170 1.707 -2.685 1.00 0.00 C ATOM 734 O PHE A 47 -0.489 2.598 -3.220 1.00 0.00 O ATOM 735 CB PHE A 47 2.471 2.602 -3.196 1.00 0.00 C ATOM 736 CG PHE A 47 1.807 3.847 -3.720 1.00 0.00 C ATOM 737 CD1 PHE A 47 1.401 3.929 -5.041 1.00 0.00 C ATOM 738 CD2 PHE A 47 1.591 4.935 -2.890 1.00 0.00 C ATOM 739 CE1 PHE A 47 0.791 5.071 -5.526 1.00 0.00 C ATOM 740 CE2 PHE A 47 0.982 6.080 -3.367 1.00 0.00 C ATOM 741 CZ PHE A 47 0.581 6.149 -4.687 1.00 0.00 C ATOM 0 H PHE A 47 2.045 1.257 -5.233 1.00 0.00 H new ATOM 0 HA PHE A 47 2.000 0.624 -2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.817 2.790 -2.180 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.354 2.394 -3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.563 3.090 -5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.903 4.888 -1.857 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.479 5.121 -6.559 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.820 6.920 -2.708 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.105 7.043 -5.062 1.00 0.00 H new ATOM 751 N PRO A 48 -0.309 1.006 -1.639 1.00 0.00 N ATOM 752 CA PRO A 48 -1.628 1.246 -1.067 1.00 0.00 C ATOM 753 C PRO A 48 -1.610 2.318 0.019 1.00 0.00 C ATOM 754 O PRO A 48 -2.550 2.441 0.807 1.00 0.00 O ATOM 755 CB PRO A 48 -1.978 -0.115 -0.475 1.00 0.00 C ATOM 756 CG PRO A 48 -0.667 -0.695 -0.051 1.00 0.00 C ATOM 757 CD PRO A 48 0.396 -0.082 -0.934 1.00 0.00 C ATOM 0 HA PRO A 48 -2.343 1.615 -1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.659 -0.015 0.371 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.473 -0.751 -1.209 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.470 -0.475 0.998 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.674 -1.780 -0.154 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.232 0.299 -0.347 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.804 -0.812 -1.633 1.00 0.00 H new ATOM 765 N SER A 49 -0.535 3.094 0.048 1.00 0.00 N ATOM 766 CA SER A 49 -0.373 4.160 1.027 1.00 0.00 C ATOM 767 C SER A 49 -1.526 5.163 0.995 1.00 0.00 C ATOM 768 O SER A 49 -1.598 6.045 1.856 1.00 0.00 O ATOM 769 CB SER A 49 0.951 4.876 0.785 1.00 0.00 C ATOM 770 OG SER A 49 1.805 4.769 1.912 1.00 0.00 O ATOM 0 H SER A 49 0.245 3.003 -0.603 1.00 0.00 H new ATOM 0 HA SER A 49 -0.376 3.703 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.443 4.450 -0.089 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.764 5.927 0.565 1.00 0.00 H new ATOM 0 HG SER A 49 2.647 5.235 1.729 1.00 0.00 H new ATOM 776 N ASN A 50 -2.433 5.028 0.015 1.00 0.00 N ATOM 777 CA ASN A 50 -3.568 5.933 -0.109 1.00 0.00 C ATOM 778 C ASN A 50 -4.179 6.216 1.255 1.00 0.00 C ATOM 779 O ASN A 50 -4.672 7.316 1.511 1.00 0.00 O ATOM 780 CB ASN A 50 -4.606 5.324 -1.041 1.00 0.00 C ATOM 781 CG ASN A 50 -4.502 5.867 -2.447 1.00 0.00 C ATOM 782 OD1 ASN A 50 -3.815 5.301 -3.297 1.00 0.00 O ATOM 783 ND2 ASN A 50 -5.184 6.972 -2.696 1.00 0.00 N ATOM 0 H ASN A 50 -2.396 4.300 -0.698 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.223 6.879 -0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.482 4.241 -1.062 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.604 5.523 -0.650 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.154 7.391 -3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.740 7.405 -1.959 1.00 0.00 H new ATOM 790 N TYR A 51 -4.090 5.239 2.145 1.00 0.00 N ATOM 791 CA TYR A 51 -4.578 5.412 3.501 1.00 0.00 C ATOM 792 C TYR A 51 -3.874 4.435 4.430 1.00 0.00 C ATOM 793 O TYR A 51 -4.498 3.551 5.017 1.00 0.00 O ATOM 794 CB TYR A 51 -6.092 5.197 3.557 1.00 0.00 C ATOM 795 CG TYR A 51 -6.865 6.061 2.584 1.00 0.00 C ATOM 796 CD1 TYR A 51 -7.076 7.411 2.839 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.384 5.527 1.412 1.00 0.00 C ATOM 798 CE1 TYR A 51 -7.783 8.202 1.952 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.091 6.311 0.520 1.00 0.00 C ATOM 800 CZ TYR A 51 -8.288 7.649 0.795 1.00 0.00 C ATOM 801 OH TYR A 51 -8.991 8.433 -0.089 1.00 0.00 O ATOM 0 H TYR A 51 -3.686 4.323 1.952 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.363 6.430 3.825 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.309 4.149 3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.442 5.402 4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.682 7.849 3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.232 4.480 1.194 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.939 9.249 2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.487 5.879 -0.387 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.276 7.889 -0.853 1.00 0.00 H new ATOM 811 N VAL A 52 -2.562 4.613 4.563 1.00 0.00 N ATOM 812 CA VAL A 52 -1.763 3.760 5.427 1.00 0.00 C ATOM 813 C VAL A 52 -0.718 4.562 6.201 1.00 0.00 C ATOM 814 O VAL A 52 -0.397 5.695 5.840 1.00 0.00 O ATOM 815 CB VAL A 52 -1.077 2.625 4.631 1.00 0.00 C ATOM 816 CG1 VAL A 52 -1.910 2.254 3.417 1.00 0.00 C ATOM 817 CG2 VAL A 52 0.333 3.012 4.208 1.00 0.00 C ATOM 0 H VAL A 52 -2.033 5.341 4.082 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.450 3.310 6.144 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.000 1.758 5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.415 1.454 2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.894 1.916 3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.020 3.125 2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.784 2.191 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.293 3.900 3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.933 3.223 5.093 1.00 0.00 H new ATOM 827 N LEU A 53 -0.169 3.954 7.250 1.00 0.00 N ATOM 828 CA LEU A 53 0.860 4.595 8.048 1.00 0.00 C ATOM 829 C LEU A 53 2.213 3.986 7.711 1.00 0.00 C ATOM 830 O LEU A 53 2.424 2.796 7.911 1.00 0.00 O ATOM 831 CB LEU A 53 0.561 4.403 9.534 1.00 0.00 C ATOM 832 CG LEU A 53 0.164 5.666 10.300 1.00 0.00 C ATOM 833 CD1 LEU A 53 0.990 6.864 9.848 1.00 0.00 C ATOM 834 CD2 LEU A 53 -1.321 5.929 10.123 1.00 0.00 C ATOM 0 H LEU A 53 -0.423 3.017 7.563 1.00 0.00 H new ATOM 0 HA LEU A 53 0.877 5.662 7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.242 3.673 9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.442 3.973 10.010 1.00 0.00 H new ATOM 0 HG LEU A 53 0.368 5.511 11.359 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.686 7.748 10.409 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.047 6.666 10.027 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.828 7.037 8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.599 6.830 10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.543 6.065 9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.889 5.081 10.507 1.00 0.00 H new ATOM 846 N GLU A 54 3.120 4.796 7.188 1.00 0.00 N ATOM 847 CA GLU A 54 4.439 4.302 6.813 1.00 0.00 C ATOM 848 C GLU A 54 5.526 4.751 7.781 1.00 0.00 C ATOM 849 O GLU A 54 5.571 5.910 8.195 1.00 0.00 O ATOM 850 CB GLU A 54 4.783 4.749 5.398 1.00 0.00 C ATOM 851 CG GLU A 54 6.054 4.116 4.865 1.00 0.00 C ATOM 852 CD GLU A 54 7.133 5.135 4.554 1.00 0.00 C ATOM 853 OE1 GLU A 54 7.385 6.013 5.407 1.00 0.00 O ATOM 854 OE2 GLU A 54 7.725 5.057 3.457 1.00 0.00 O ATOM 0 H GLU A 54 2.971 5.790 7.014 1.00 0.00 H new ATOM 0 HA GLU A 54 4.398 3.214 6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.955 4.501 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.890 5.834 5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.434 3.403 5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.822 3.552 3.962 1.00 0.00 H new ATOM 861 N GLU A 55 6.413 3.821 8.122 1.00 0.00 N ATOM 862 CA GLU A 55 7.519 4.104 9.021 1.00 0.00 C ATOM 863 C GLU A 55 8.851 3.910 8.300 1.00 0.00 C ATOM 864 O GLU A 55 9.182 2.800 7.881 1.00 0.00 O ATOM 865 CB GLU A 55 7.453 3.194 10.248 1.00 0.00 C ATOM 866 CG GLU A 55 6.044 2.828 10.660 1.00 0.00 C ATOM 867 CD GLU A 55 5.822 2.933 12.156 1.00 0.00 C ATOM 868 OE1 GLU A 55 6.422 3.831 12.782 1.00 0.00 O ATOM 869 OE2 GLU A 55 5.049 2.117 12.699 1.00 0.00 O ATOM 0 H GLU A 55 6.384 2.859 7.785 1.00 0.00 H new ATOM 0 HA GLU A 55 7.442 5.141 9.347 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.010 2.280 10.042 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.949 3.689 11.083 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.339 3.482 10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.829 1.810 10.336 1.00 0.00 H new ATOM 876 N VAL A 56 9.607 4.993 8.153 1.00 0.00 N ATOM 877 CA VAL A 56 10.895 4.935 7.477 1.00 0.00 C ATOM 878 C VAL A 56 12.018 4.602 8.453 1.00 0.00 C ATOM 879 O VAL A 56 12.823 5.463 8.811 1.00 0.00 O ATOM 880 CB VAL A 56 11.222 6.262 6.762 1.00 0.00 C ATOM 881 CG1 VAL A 56 12.354 6.067 5.763 1.00 0.00 C ATOM 882 CG2 VAL A 56 9.986 6.822 6.074 1.00 0.00 C ATOM 0 H VAL A 56 9.349 5.920 8.493 1.00 0.00 H new ATOM 0 HA VAL A 56 10.821 4.143 6.732 1.00 0.00 H new ATOM 0 HB VAL A 56 11.548 6.983 7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.570 7.014 5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.245 5.719 6.286 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.059 5.328 5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.239 7.758 5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.624 6.105 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.208 7.004 6.815 1.00 0.00 H new ATOM 892 N ASP A 57 12.067 3.344 8.881 1.00 0.00 N ATOM 893 CA ASP A 57 13.091 2.893 9.815 1.00 0.00 C ATOM 894 C ASP A 57 14.456 2.823 9.136 1.00 0.00 C ATOM 895 O ASP A 57 14.576 3.324 7.998 1.00 0.00 O ATOM 896 CB ASP A 57 12.721 1.523 10.388 1.00 0.00 C ATOM 897 CG ASP A 57 13.376 1.262 11.731 1.00 0.00 C ATOM 898 OD1 ASP A 57 14.368 1.948 12.052 1.00 0.00 O ATOM 899 OD2 ASP A 57 12.895 0.370 12.461 1.00 0.00 O ATOM 900 OXT ASP A 57 15.393 2.267 9.747 1.00 0.00 O ATOM 0 H ASP A 57 11.409 2.619 8.595 1.00 0.00 H new ATOM 0 HA ASP A 57 13.148 3.616 10.629 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.638 1.458 10.496 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.019 0.745 9.684 1.00 0.00 H new