USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 438 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 3 GLN :FLIP amide:sc= 0.187 F(o=-1.1,f=0.19) USER MOD Single : A 4 CYS SG : rot 180:sc= -2.85 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.157 X(o=0.16,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0293 X(o=-0.029,f=-0.25) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0386 K(o=-0.039,f=-0.67) USER MOD Single : A 38 SER OG : rot 105:sc= 1.25 USER MOD Single : A 40 THR OG1 : rot -18:sc= 0.549 USER MOD Single : A 42 ASN : amide:sc= -0.344 K(o=-0.34,f=-2.8!) USER MOD Single : A 43 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.059) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 132:sc= 1.82 USER MOD Single : A 51 ASN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0547) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -2.214 11.170 4.114 1.00 0.00 N ATOM 21 CA ARG A 2 -2.497 9.834 4.625 1.00 0.00 C ATOM 22 C ARG A 2 -1.395 8.856 4.228 1.00 0.00 C ATOM 23 O ARG A 2 -0.918 8.871 3.093 1.00 0.00 O ATOM 24 CB ARG A 2 -3.847 9.340 4.101 1.00 0.00 C ATOM 25 CG ARG A 2 -5.017 10.216 4.517 1.00 0.00 C ATOM 26 CD ARG A 2 -6.301 9.796 3.820 1.00 0.00 C ATOM 27 NE ARG A 2 -7.262 10.893 3.736 1.00 0.00 N ATOM 28 CZ ARG A 2 -8.562 10.724 3.506 1.00 0.00 C ATOM 29 NH1 ARG A 2 -9.059 9.505 3.335 1.00 0.00 N ATOM 30 NH2 ARG A 2 -9.367 11.776 3.446 1.00 0.00 N ATOM 0 HA ARG A 2 -2.536 9.888 5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.809 9.291 3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.018 8.325 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.152 10.157 5.597 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.796 11.257 4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.069 9.440 2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.750 8.961 4.359 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.916 11.844 3.861 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.444 8.693 3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.056 9.381 3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.990 12.715 3.576 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.363 11.646 3.270 1.00 0.00 H new ATOM 44 N GLN A 3 -0.996 8.008 5.170 1.00 0.00 N ATOM 45 CA GLN A 3 0.050 7.024 4.916 1.00 0.00 C ATOM 46 C GLN A 3 -0.200 5.746 5.709 1.00 0.00 C ATOM 47 O GLN A 3 -0.687 5.787 6.839 1.00 0.00 O ATOM 48 CB GLN A 3 1.421 7.601 5.276 1.00 0.00 C ATOM 49 CG GLN A 3 1.682 8.970 4.670 1.00 0.00 C ATOM 50 CD GLN A 3 3.145 9.365 4.730 1.00 0.00 C ATOM 51 OE1 GLN A 3 3.789 9.078 5.855 1.00 0.00 O flip ATOM 52 NE2 GLN A 3 3.690 9.921 3.777 1.00 0.00 N flip ATOM 0 H GLN A 3 -1.380 7.982 6.115 1.00 0.00 H new ATOM 0 HA GLN A 3 0.033 6.780 3.854 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.503 7.671 6.361 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.196 6.911 4.942 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.351 8.973 3.631 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.086 9.716 5.196 1.00 0.00 H new ATOM 0 HE21 GLN A 3 3.157 10.123 2.931 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.675 10.180 3.833 1.00 0.00 H new ATOM 61 N CYS A 4 0.139 4.610 5.107 1.00 0.00 N ATOM 62 CA CYS A 4 -0.045 3.316 5.752 1.00 0.00 C ATOM 63 C CYS A 4 1.067 2.352 5.351 1.00 0.00 C ATOM 64 O CYS A 4 1.504 2.342 4.200 1.00 0.00 O ATOM 65 CB CYS A 4 -1.406 2.723 5.378 1.00 0.00 C ATOM 66 SG CYS A 4 -2.775 3.902 5.460 1.00 0.00 S ATOM 0 H CYS A 4 0.543 4.560 4.172 1.00 0.00 H new ATOM 0 HA CYS A 4 -0.007 3.465 6.831 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.349 2.319 4.367 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.621 1.887 6.043 1.00 0.00 H new ATOM 0 HG CYS A 4 -3.881 3.307 5.125 1.00 0.00 H new ATOM 72 N LYS A 5 1.523 1.544 6.303 1.00 0.00 N ATOM 73 CA LYS A 5 2.584 0.583 6.034 1.00 0.00 C ATOM 74 C LYS A 5 2.099 -0.854 6.224 1.00 0.00 C ATOM 75 O LYS A 5 1.574 -1.218 7.276 1.00 0.00 O ATOM 76 CB LYS A 5 3.782 0.852 6.948 1.00 0.00 C ATOM 77 CG LYS A 5 4.915 -0.149 6.783 1.00 0.00 C ATOM 78 CD LYS A 5 4.832 -1.257 7.821 1.00 0.00 C ATOM 79 CE LYS A 5 5.192 -0.750 9.208 1.00 0.00 C ATOM 80 NZ LYS A 5 4.498 -1.518 10.278 1.00 0.00 N ATOM 0 H LYS A 5 1.176 1.536 7.262 1.00 0.00 H new ATOM 0 HA LYS A 5 2.886 0.703 4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.162 1.854 6.748 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.446 0.840 7.985 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.878 -0.582 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.872 0.365 6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.823 -1.670 7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.505 -2.068 7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.270 -0.821 9.352 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.928 0.304 9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.770 -1.141 11.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.469 -1.430 10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.769 -2.520 10.218 1.00 0.00 H new ATOM 94 N VAL A 6 2.298 -1.658 5.189 1.00 0.00 N ATOM 95 CA VAL A 6 1.912 -3.065 5.189 1.00 0.00 C ATOM 96 C VAL A 6 2.736 -3.862 6.197 1.00 0.00 C ATOM 97 O VAL A 6 3.918 -3.587 6.400 1.00 0.00 O ATOM 98 CB VAL A 6 2.095 -3.702 3.795 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.378 -5.040 3.723 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.606 -2.770 2.692 1.00 0.00 C ATOM 0 H VAL A 6 2.734 -1.352 4.319 1.00 0.00 H new ATOM 0 HA VAL A 6 0.858 -3.099 5.466 1.00 0.00 H new ATOM 0 HB VAL A 6 3.161 -3.870 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.518 -5.475 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.787 -5.713 4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.314 -4.893 3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.748 -3.247 1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.547 -2.556 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.172 -1.839 2.725 1.00 0.00 H new ATOM 110 N LEU A 7 2.107 -4.851 6.827 1.00 0.00 N ATOM 111 CA LEU A 7 2.793 -5.684 7.813 1.00 0.00 C ATOM 112 C LEU A 7 3.410 -6.915 7.154 1.00 0.00 C ATOM 113 O LEU A 7 4.433 -7.426 7.610 1.00 0.00 O ATOM 114 CB LEU A 7 1.829 -6.133 8.917 1.00 0.00 C ATOM 115 CG LEU A 7 0.700 -5.157 9.255 1.00 0.00 C ATOM 116 CD1 LEU A 7 -0.546 -5.919 9.681 1.00 0.00 C ATOM 117 CD2 LEU A 7 1.140 -4.194 10.348 1.00 0.00 C ATOM 0 H LEU A 7 1.128 -5.095 6.674 1.00 0.00 H new ATOM 0 HA LEU A 7 3.586 -5.079 8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.385 -7.083 8.621 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.406 -6.319 9.823 1.00 0.00 H new ATOM 0 HG LEU A 7 0.461 -4.577 8.364 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.341 -5.212 9.919 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.870 -6.570 8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.321 -6.521 10.561 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.326 -3.507 10.577 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.403 -4.756 11.244 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.007 -3.628 10.007 1.00 0.00 H new ATOM 129 N PHE A 8 2.780 -7.392 6.085 1.00 0.00 N ATOM 130 CA PHE A 8 3.269 -8.568 5.372 1.00 0.00 C ATOM 131 C PHE A 8 3.718 -8.208 3.958 1.00 0.00 C ATOM 132 O PHE A 8 3.629 -7.054 3.542 1.00 0.00 O ATOM 133 CB PHE A 8 2.181 -9.642 5.314 1.00 0.00 C ATOM 134 CG PHE A 8 1.790 -10.174 6.663 1.00 0.00 C ATOM 135 CD1 PHE A 8 2.499 -11.213 7.244 1.00 0.00 C ATOM 136 CD2 PHE A 8 0.714 -9.635 7.350 1.00 0.00 C ATOM 137 CE1 PHE A 8 2.142 -11.705 8.485 1.00 0.00 C ATOM 138 CE2 PHE A 8 0.352 -10.122 8.591 1.00 0.00 C ATOM 139 CZ PHE A 8 1.067 -11.158 9.160 1.00 0.00 C ATOM 0 H PHE A 8 1.931 -6.983 5.694 1.00 0.00 H new ATOM 0 HA PHE A 8 4.130 -8.957 5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.299 -9.228 4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.530 -10.468 4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.340 -11.643 6.721 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.152 -8.825 6.910 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.702 -12.516 8.927 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.489 -9.693 9.116 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.787 -11.540 10.131 1.00 0.00 H new ATOM 149 N GLU A 9 4.203 -9.206 3.226 1.00 0.00 N ATOM 150 CA GLU A 9 4.668 -8.997 1.860 1.00 0.00 C ATOM 151 C GLU A 9 3.664 -9.546 0.851 1.00 0.00 C ATOM 152 O GLU A 9 2.857 -10.417 1.174 1.00 0.00 O ATOM 153 CB GLU A 9 6.030 -9.664 1.655 1.00 0.00 C ATOM 154 CG GLU A 9 6.051 -11.134 2.041 1.00 0.00 C ATOM 155 CD GLU A 9 6.526 -12.029 0.912 1.00 0.00 C ATOM 156 OE1 GLU A 9 5.867 -12.046 -0.148 1.00 0.00 O ATOM 157 OE2 GLU A 9 7.556 -12.712 1.090 1.00 0.00 O ATOM 0 H GLU A 9 4.284 -10.168 3.556 1.00 0.00 H new ATOM 0 HA GLU A 9 4.767 -7.924 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.319 -9.567 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.778 -9.132 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.702 -11.269 2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.050 -11.440 2.345 1.00 0.00 H new ATOM 164 N TYR A 10 3.722 -9.030 -0.373 1.00 0.00 N ATOM 165 CA TYR A 10 2.820 -9.468 -1.432 1.00 0.00 C ATOM 166 C TYR A 10 3.586 -9.719 -2.727 1.00 0.00 C ATOM 167 O TYR A 10 4.543 -9.011 -3.040 1.00 0.00 O ATOM 168 CB TYR A 10 1.727 -8.422 -1.666 1.00 0.00 C ATOM 169 CG TYR A 10 0.753 -8.795 -2.762 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.051 -9.922 -2.649 1.00 0.00 C ATOM 171 CD2 TYR A 10 0.640 -8.021 -3.909 1.00 0.00 C ATOM 172 CE1 TYR A 10 -0.941 -10.267 -3.648 1.00 0.00 C ATOM 173 CE2 TYR A 10 -0.248 -8.358 -4.913 1.00 0.00 C ATOM 174 CZ TYR A 10 -1.036 -9.482 -4.778 1.00 0.00 C ATOM 175 OH TYR A 10 -1.921 -9.822 -5.775 1.00 0.00 O ATOM 0 H TYR A 10 4.385 -8.308 -0.656 1.00 0.00 H new ATOM 0 HA TYR A 10 2.356 -10.403 -1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.176 -8.272 -0.738 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.195 -7.470 -1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 10 0.021 -10.539 -1.765 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.256 -7.141 -4.019 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.559 -11.147 -3.545 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.325 -7.745 -5.799 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.865 -9.165 -6.500 1.00 0.00 H new ATOM 185 N ILE A 11 3.159 -10.731 -3.475 1.00 0.00 N ATOM 186 CA ILE A 11 3.806 -11.074 -4.736 1.00 0.00 C ATOM 187 C ILE A 11 2.967 -10.614 -5.927 1.00 0.00 C ATOM 188 O ILE A 11 1.930 -11.204 -6.227 1.00 0.00 O ATOM 189 CB ILE A 11 4.044 -12.592 -4.847 1.00 0.00 C ATOM 190 CG1 ILE A 11 4.701 -13.122 -3.572 1.00 0.00 C ATOM 191 CG2 ILE A 11 4.903 -12.907 -6.062 1.00 0.00 C ATOM 192 CD1 ILE A 11 6.053 -12.506 -3.287 1.00 0.00 C ATOM 0 H ILE A 11 2.369 -11.327 -3.230 1.00 0.00 H new ATOM 0 HA ILE A 11 4.767 -10.559 -4.751 1.00 0.00 H new ATOM 0 HB ILE A 11 3.081 -13.087 -4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.039 -12.933 -2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.813 -14.203 -3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.062 -13.983 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.399 -12.560 -6.964 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.865 -12.403 -5.968 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.459 -12.929 -2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.731 -12.717 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.945 -11.427 -3.173 1.00 0.00 H new ATOM 204 N PRO A 12 3.404 -9.549 -6.626 1.00 0.00 N ATOM 205 CA PRO A 12 2.682 -9.020 -7.785 1.00 0.00 C ATOM 206 C PRO A 12 2.872 -9.880 -9.029 1.00 0.00 C ATOM 207 O PRO A 12 3.749 -10.743 -9.072 1.00 0.00 O ATOM 208 CB PRO A 12 3.312 -7.643 -7.986 1.00 0.00 C ATOM 209 CG PRO A 12 4.703 -7.790 -7.476 1.00 0.00 C ATOM 210 CD PRO A 12 4.631 -8.777 -6.341 1.00 0.00 C ATOM 0 HA PRO A 12 1.605 -8.995 -7.622 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.303 -7.352 -9.036 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.768 -6.874 -7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.370 -8.147 -8.261 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.096 -6.832 -7.135 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.511 -9.420 -6.313 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.573 -8.274 -5.376 1.00 0.00 H new ATOM 218 N GLN A 13 2.046 -9.638 -10.042 1.00 0.00 N ATOM 219 CA GLN A 13 2.124 -10.390 -11.288 1.00 0.00 C ATOM 220 C GLN A 13 1.147 -9.836 -12.320 1.00 0.00 C ATOM 221 O GLN A 13 0.552 -10.587 -13.093 1.00 0.00 O ATOM 222 CB GLN A 13 1.831 -11.870 -11.035 1.00 0.00 C ATOM 223 CG GLN A 13 2.606 -12.808 -11.946 1.00 0.00 C ATOM 224 CD GLN A 13 1.750 -13.941 -12.479 1.00 0.00 C ATOM 225 OE1 GLN A 13 1.883 -15.088 -12.053 1.00 0.00 O ATOM 226 NE2 GLN A 13 0.866 -13.623 -13.418 1.00 0.00 N ATOM 0 H GLN A 13 1.315 -8.927 -10.024 1.00 0.00 H new ATOM 0 HA GLN A 13 3.136 -10.289 -11.681 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.068 -12.107 -9.998 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.764 -12.048 -11.167 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.014 -12.241 -12.783 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.452 -13.223 -11.399 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.790 -12.659 -13.741 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.263 -14.343 -13.816 1.00 0.00 H new ATOM 235 N ASN A 14 0.988 -8.517 -12.327 1.00 0.00 N ATOM 236 CA ASN A 14 0.084 -7.861 -13.265 1.00 0.00 C ATOM 237 C ASN A 14 0.689 -6.559 -13.782 1.00 0.00 C ATOM 238 O ASN A 14 1.660 -6.049 -13.223 1.00 0.00 O ATOM 239 CB ASN A 14 -1.265 -7.585 -12.596 1.00 0.00 C ATOM 240 CG ASN A 14 -2.391 -8.392 -13.212 1.00 0.00 C ATOM 241 OD1 ASN A 14 -2.509 -8.483 -14.435 1.00 0.00 O ATOM 242 ND2 ASN A 14 -3.226 -8.985 -12.367 1.00 0.00 N ATOM 0 H ASN A 14 1.473 -7.881 -11.694 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.070 -8.529 -14.113 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.195 -7.817 -11.533 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.497 -6.523 -12.676 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.002 -9.542 -12.724 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.091 -8.883 -11.361 1.00 0.00 H new ATOM 249 N GLU A 15 0.110 -6.028 -14.854 1.00 0.00 N ATOM 250 CA GLU A 15 0.592 -4.787 -15.448 1.00 0.00 C ATOM 251 C GLU A 15 0.440 -3.621 -14.476 1.00 0.00 C ATOM 252 O GLU A 15 1.226 -2.674 -14.500 1.00 0.00 O ATOM 253 CB GLU A 15 -0.166 -4.488 -16.743 1.00 0.00 C ATOM 254 CG GLU A 15 -1.675 -4.616 -16.607 1.00 0.00 C ATOM 255 CD GLU A 15 -2.228 -5.817 -17.349 1.00 0.00 C ATOM 256 OE1 GLU A 15 -1.835 -6.028 -18.515 1.00 0.00 O ATOM 257 OE2 GLU A 15 -3.055 -6.548 -16.763 1.00 0.00 O ATOM 0 H GLU A 15 -0.694 -6.438 -15.329 1.00 0.00 H new ATOM 0 HA GLU A 15 1.651 -4.911 -15.675 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.077 -3.477 -17.071 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.179 -5.168 -17.522 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.936 -4.694 -15.551 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.148 -3.710 -16.986 1.00 0.00 H new ATOM 264 N ASP A 16 -0.575 -3.696 -13.622 1.00 0.00 N ATOM 265 CA ASP A 16 -0.829 -2.646 -12.642 1.00 0.00 C ATOM 266 C ASP A 16 -0.881 -3.220 -11.229 1.00 0.00 C ATOM 267 O ASP A 16 -1.921 -3.189 -10.571 1.00 0.00 O ATOM 268 CB ASP A 16 -2.140 -1.926 -12.965 1.00 0.00 C ATOM 269 CG ASP A 16 -1.943 -0.766 -13.920 1.00 0.00 C ATOM 270 OD1 ASP A 16 -1.967 -0.997 -15.148 1.00 0.00 O ATOM 271 OD2 ASP A 16 -1.765 0.374 -13.442 1.00 0.00 O ATOM 0 H ASP A 16 -1.235 -4.473 -13.588 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.009 -1.930 -12.691 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.843 -2.636 -13.400 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.587 -1.560 -12.041 1.00 0.00 H new ATOM 276 N GLU A 17 0.251 -3.744 -10.768 1.00 0.00 N ATOM 277 CA GLU A 17 0.337 -4.325 -9.434 1.00 0.00 C ATOM 278 C GLU A 17 1.666 -3.974 -8.774 1.00 0.00 C ATOM 279 O GLU A 17 2.734 -4.252 -9.319 1.00 0.00 O ATOM 280 CB GLU A 17 0.171 -5.845 -9.504 1.00 0.00 C ATOM 281 CG GLU A 17 -1.219 -6.323 -9.118 1.00 0.00 C ATOM 282 CD GLU A 17 -1.318 -7.834 -9.053 1.00 0.00 C ATOM 283 OE1 GLU A 17 -0.265 -8.493 -8.922 1.00 0.00 O ATOM 284 OE2 GLU A 17 -2.449 -8.359 -9.133 1.00 0.00 O ATOM 0 H GLU A 17 1.121 -3.778 -11.299 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.469 -3.908 -8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.393 -6.180 -10.517 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.903 -6.313 -8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.488 -5.903 -8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.943 -5.946 -9.841 1.00 0.00 H new ATOM 291 N LEU A 18 1.593 -3.363 -7.596 1.00 0.00 N ATOM 292 CA LEU A 18 2.790 -2.975 -6.860 1.00 0.00 C ATOM 293 C LEU A 18 3.131 -4.008 -5.792 1.00 0.00 C ATOM 294 O LEU A 18 2.258 -4.736 -5.318 1.00 0.00 O ATOM 295 CB LEU A 18 2.593 -1.602 -6.214 1.00 0.00 C ATOM 296 CG LEU A 18 3.835 -1.022 -5.534 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.972 -0.878 -6.533 1.00 0.00 C ATOM 298 CD2 LEU A 18 3.512 0.319 -4.893 1.00 0.00 C ATOM 0 H LEU A 18 0.717 -3.126 -7.131 1.00 0.00 H new ATOM 0 HA LEU A 18 3.619 -2.922 -7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.256 -0.902 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.794 -1.676 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 18 4.153 -1.710 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.847 -0.464 -6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.219 -1.856 -6.946 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.666 -0.211 -7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.406 0.718 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.169 1.015 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.729 0.186 -4.147 1.00 0.00 H new ATOM 310 N GLU A 19 4.404 -4.069 -5.418 1.00 0.00 N ATOM 311 CA GLU A 19 4.859 -5.015 -4.407 1.00 0.00 C ATOM 312 C GLU A 19 4.848 -4.379 -3.020 1.00 0.00 C ATOM 313 O GLU A 19 5.688 -3.537 -2.706 1.00 0.00 O ATOM 314 CB GLU A 19 6.266 -5.514 -4.741 1.00 0.00 C ATOM 315 CG GLU A 19 6.545 -6.923 -4.245 1.00 0.00 C ATOM 316 CD GLU A 19 7.925 -7.063 -3.631 1.00 0.00 C ATOM 317 OE1 GLU A 19 8.874 -6.444 -4.156 1.00 0.00 O ATOM 318 OE2 GLU A 19 8.056 -7.792 -2.625 1.00 0.00 O ATOM 0 H GLU A 19 5.139 -3.474 -5.800 1.00 0.00 H new ATOM 0 HA GLU A 19 4.172 -5.861 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.406 -5.484 -5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.997 -4.833 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.793 -7.200 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.448 -7.622 -5.075 1.00 0.00 H new ATOM 325 N LEU A 20 3.890 -4.790 -2.194 1.00 0.00 N ATOM 326 CA LEU A 20 3.770 -4.262 -0.840 1.00 0.00 C ATOM 327 C LEU A 20 4.626 -5.066 0.133 1.00 0.00 C ATOM 328 O LEU A 20 4.153 -6.022 0.747 1.00 0.00 O ATOM 329 CB LEU A 20 2.308 -4.284 -0.389 1.00 0.00 C ATOM 330 CG LEU A 20 1.457 -3.117 -0.894 1.00 0.00 C ATOM 331 CD1 LEU A 20 0.006 -3.295 -0.474 1.00 0.00 C ATOM 332 CD2 LEU A 20 2.007 -1.793 -0.380 1.00 0.00 C ATOM 0 H LEU A 20 3.186 -5.487 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 20 4.126 -3.232 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.854 -5.217 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.280 -4.290 0.701 1.00 0.00 H new ATOM 0 HG LEU A 20 1.499 -3.105 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.585 -2.456 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.383 -4.223 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.056 -3.333 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.389 -0.974 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.996 -1.793 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.030 -1.663 -0.732 1.00 0.00 H new ATOM 344 N LYS A 21 5.888 -4.672 0.268 1.00 0.00 N ATOM 345 CA LYS A 21 6.811 -5.357 1.165 1.00 0.00 C ATOM 346 C LYS A 21 6.587 -4.925 2.611 1.00 0.00 C ATOM 347 O LYS A 21 6.031 -3.858 2.873 1.00 0.00 O ATOM 348 CB LYS A 21 8.257 -5.076 0.753 1.00 0.00 C ATOM 349 CG LYS A 21 9.140 -6.314 0.746 1.00 0.00 C ATOM 350 CD LYS A 21 9.734 -6.583 2.119 1.00 0.00 C ATOM 351 CE LYS A 21 11.191 -7.007 2.023 1.00 0.00 C ATOM 352 NZ LYS A 21 11.530 -8.059 3.022 1.00 0.00 N ATOM 0 H LYS A 21 6.295 -3.882 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 21 6.622 -6.428 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.262 -4.631 -0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.683 -4.340 1.434 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.556 -7.177 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.943 -6.185 0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.655 -5.686 2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.159 -7.363 2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.395 -7.380 1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.833 -6.139 2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.532 -8.321 2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.359 -7.695 3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.936 -8.897 2.859 1.00 0.00 H new ATOM 366 N VAL A 22 7.023 -5.762 3.547 1.00 0.00 N ATOM 367 CA VAL A 22 6.872 -5.467 4.967 1.00 0.00 C ATOM 368 C VAL A 22 7.763 -4.301 5.382 1.00 0.00 C ATOM 369 O VAL A 22 8.963 -4.296 5.106 1.00 0.00 O ATOM 370 CB VAL A 22 7.209 -6.697 5.834 1.00 0.00 C ATOM 371 CG1 VAL A 22 8.650 -7.132 5.614 1.00 0.00 C ATOM 372 CG2 VAL A 22 6.951 -6.404 7.305 1.00 0.00 C ATOM 0 H VAL A 22 7.484 -6.650 3.347 1.00 0.00 H new ATOM 0 HA VAL A 22 5.828 -5.196 5.128 1.00 0.00 H new ATOM 0 HB VAL A 22 6.558 -7.517 5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.867 -8.001 6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.796 -7.390 4.565 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.321 -6.317 5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.195 -7.284 7.900 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.573 -5.567 7.624 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.900 -6.150 7.447 1.00 0.00 H new ATOM 382 N GLY A 23 7.170 -3.315 6.046 1.00 0.00 N ATOM 383 CA GLY A 23 7.928 -2.158 6.488 1.00 0.00 C ATOM 384 C GLY A 23 7.971 -1.050 5.452 1.00 0.00 C ATOM 385 O GLY A 23 8.489 0.035 5.719 1.00 0.00 O ATOM 0 H GLY A 23 6.179 -3.296 6.286 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.489 -1.772 7.408 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.946 -2.466 6.726 1.00 0.00 H new ATOM 389 N ASP A 24 7.431 -1.317 4.265 1.00 0.00 N ATOM 390 CA ASP A 24 7.419 -0.328 3.194 1.00 0.00 C ATOM 391 C ASP A 24 6.295 0.683 3.393 1.00 0.00 C ATOM 392 O ASP A 24 5.154 0.312 3.670 1.00 0.00 O ATOM 393 CB ASP A 24 7.266 -1.016 1.837 1.00 0.00 C ATOM 394 CG ASP A 24 8.603 -1.376 1.217 1.00 0.00 C ATOM 395 OD1 ASP A 24 9.599 -0.683 1.511 1.00 0.00 O ATOM 396 OD2 ASP A 24 8.652 -2.351 0.438 1.00 0.00 O ATOM 0 H ASP A 24 6.998 -2.208 4.023 1.00 0.00 H new ATOM 0 HA ASP A 24 8.369 0.205 3.220 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.669 -1.920 1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.719 -0.360 1.160 1.00 0.00 H new ATOM 401 N ILE A 25 6.624 1.963 3.245 1.00 0.00 N ATOM 402 CA ILE A 25 5.642 3.029 3.403 1.00 0.00 C ATOM 403 C ILE A 25 5.075 3.449 2.052 1.00 0.00 C ATOM 404 O ILE A 25 5.820 3.817 1.143 1.00 0.00 O ATOM 405 CB ILE A 25 6.255 4.263 4.095 1.00 0.00 C ATOM 406 CG1 ILE A 25 7.081 3.840 5.311 1.00 0.00 C ATOM 407 CG2 ILE A 25 5.161 5.238 4.504 1.00 0.00 C ATOM 408 CD1 ILE A 25 6.272 3.124 6.371 1.00 0.00 C ATOM 0 H ILE A 25 7.564 2.287 3.016 1.00 0.00 H new ATOM 0 HA ILE A 25 4.841 2.634 4.028 1.00 0.00 H new ATOM 0 HB ILE A 25 6.917 4.764 3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.891 3.189 4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.542 4.724 5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.609 6.104 4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.613 5.562 3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.476 4.747 5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.922 2.853 7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.479 3.780 6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.833 2.222 5.946 1.00 0.00 H new ATOM 420 N ILE A 26 3.754 3.392 1.924 1.00 0.00 N ATOM 421 CA ILE A 26 3.091 3.766 0.680 1.00 0.00 C ATOM 422 C ILE A 26 1.960 4.757 0.932 1.00 0.00 C ATOM 423 O ILE A 26 1.112 4.540 1.797 1.00 0.00 O ATOM 424 CB ILE A 26 2.521 2.533 -0.047 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.572 1.423 -0.120 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.049 2.913 -1.442 1.00 0.00 C ATOM 427 CD1 ILE A 26 4.807 1.812 -0.901 1.00 0.00 C ATOM 0 H ILE A 26 3.122 3.091 2.665 1.00 0.00 H new ATOM 0 HA ILE A 26 3.848 4.234 0.051 1.00 0.00 H new ATOM 0 HB ILE A 26 1.666 2.161 0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.865 1.144 0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.125 0.540 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.649 2.032 -1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.271 3.673 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.888 3.307 -2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.509 0.978 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 26 4.527 2.063 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.277 2.676 -0.431 1.00 0.00 H new ATOM 439 N ASP A 27 1.954 5.845 0.169 1.00 0.00 N ATOM 440 CA ASP A 27 0.925 6.870 0.307 1.00 0.00 C ATOM 441 C ASP A 27 -0.184 6.664 -0.720 1.00 0.00 C ATOM 442 O ASP A 27 0.078 6.567 -1.919 1.00 0.00 O ATOM 443 CB ASP A 27 1.537 8.262 0.143 1.00 0.00 C ATOM 444 CG ASP A 27 2.348 8.683 1.352 1.00 0.00 C ATOM 445 OD1 ASP A 27 3.010 7.811 1.955 1.00 0.00 O ATOM 446 OD2 ASP A 27 2.322 9.883 1.697 1.00 0.00 O ATOM 0 H ASP A 27 2.650 6.040 -0.551 1.00 0.00 H new ATOM 0 HA ASP A 27 0.494 6.787 1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.175 8.274 -0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.742 8.988 -0.028 1.00 0.00 H new ATOM 451 N ILE A 28 -1.422 6.597 -0.243 1.00 0.00 N ATOM 452 CA ILE A 28 -2.569 6.401 -1.121 1.00 0.00 C ATOM 453 C ILE A 28 -2.810 7.628 -1.993 1.00 0.00 C ATOM 454 O ILE A 28 -2.756 8.761 -1.515 1.00 0.00 O ATOM 455 CB ILE A 28 -3.850 6.096 -0.320 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.587 5.001 0.718 1.00 0.00 C ATOM 457 CG2 ILE A 28 -4.975 5.686 -1.258 1.00 0.00 C ATOM 458 CD1 ILE A 28 -4.159 5.314 2.084 1.00 0.00 C ATOM 0 H ILE A 28 -1.657 6.676 0.747 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.336 5.546 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.153 7.001 0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.012 4.063 0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.512 4.849 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.873 5.474 -0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.178 6.496 -1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.681 4.794 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.935 4.496 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.715 6.235 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.239 5.437 2.007 1.00 0.00 H new ATOM 470 N ASN A 29 -3.076 7.394 -3.273 1.00 0.00 N ATOM 471 CA ASN A 29 -3.326 8.480 -4.214 1.00 0.00 C ATOM 472 C ASN A 29 -4.793 8.513 -4.630 1.00 0.00 C ATOM 473 O ASN A 29 -5.340 9.574 -4.930 1.00 0.00 O ATOM 474 CB ASN A 29 -2.437 8.329 -5.449 1.00 0.00 C ATOM 475 CG ASN A 29 -2.592 9.484 -6.419 1.00 0.00 C ATOM 476 OD1 ASN A 29 -3.566 9.553 -7.169 1.00 0.00 O ATOM 477 ND2 ASN A 29 -1.629 10.398 -6.409 1.00 0.00 N ATOM 0 H ASN A 29 -3.124 6.461 -3.683 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.087 9.420 -3.716 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.395 8.258 -5.137 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.682 7.396 -5.957 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.678 11.198 -7.040 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.840 10.300 -5.770 1.00 0.00 H new ATOM 484 N GLU A 30 -5.426 7.344 -4.646 1.00 0.00 N ATOM 485 CA GLU A 30 -6.830 7.240 -5.026 1.00 0.00 C ATOM 486 C GLU A 30 -7.433 5.930 -4.530 1.00 0.00 C ATOM 487 O GLU A 30 -6.874 4.856 -4.751 1.00 0.00 O ATOM 488 CB GLU A 30 -6.978 7.341 -6.545 1.00 0.00 C ATOM 489 CG GLU A 30 -8.249 8.049 -6.986 1.00 0.00 C ATOM 490 CD GLU A 30 -8.067 9.549 -7.106 1.00 0.00 C ATOM 491 OE1 GLU A 30 -7.929 10.216 -6.060 1.00 0.00 O ATOM 492 OE2 GLU A 30 -8.063 10.057 -8.247 1.00 0.00 O ATOM 0 H GLU A 30 -4.989 6.456 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.368 8.065 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.117 7.871 -6.951 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.964 6.338 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.570 7.647 -7.947 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.045 7.839 -6.271 1.00 0.00 H new ATOM 499 N GLU A 31 -8.577 6.027 -3.861 1.00 0.00 N ATOM 500 CA GLU A 31 -9.257 4.849 -3.335 1.00 0.00 C ATOM 501 C GLU A 31 -10.293 4.333 -4.328 1.00 0.00 C ATOM 502 O GLU A 31 -11.245 5.036 -4.668 1.00 0.00 O ATOM 503 CB GLU A 31 -9.929 5.176 -2.000 1.00 0.00 C ATOM 504 CG GLU A 31 -9.876 4.036 -0.997 1.00 0.00 C ATOM 505 CD GLU A 31 -10.548 4.384 0.316 1.00 0.00 C ATOM 506 OE1 GLU A 31 -10.459 5.557 0.736 1.00 0.00 O ATOM 507 OE2 GLU A 31 -11.163 3.483 0.925 1.00 0.00 O ATOM 0 H GLU A 31 -9.053 6.909 -3.670 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.512 4.069 -3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.449 6.053 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.971 5.440 -2.182 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.357 3.157 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.836 3.770 -0.809 1.00 0.00 H new ATOM 514 N VAL A 32 -10.102 3.101 -4.791 1.00 0.00 N ATOM 515 CA VAL A 32 -11.021 2.494 -5.746 1.00 0.00 C ATOM 516 C VAL A 32 -12.393 2.263 -5.120 1.00 0.00 C ATOM 517 O VAL A 32 -13.357 2.959 -5.440 1.00 0.00 O ATOM 518 CB VAL A 32 -10.474 1.155 -6.280 1.00 0.00 C ATOM 519 CG1 VAL A 32 -11.381 0.601 -7.368 1.00 0.00 C ATOM 520 CG2 VAL A 32 -9.054 1.327 -6.798 1.00 0.00 C ATOM 0 H VAL A 32 -9.320 2.505 -4.520 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.120 3.192 -6.577 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.454 0.440 -5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.978 -0.344 -7.732 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.379 0.437 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -11.437 1.312 -8.192 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.684 0.372 -7.171 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.048 2.059 -7.606 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.411 1.674 -5.989 1.00 0.00 H new ATOM 530 N GLU A 33 -12.477 1.281 -4.226 1.00 0.00 N ATOM 531 CA GLU A 33 -13.732 0.961 -3.557 1.00 0.00 C ATOM 532 C GLU A 33 -13.502 0.685 -2.075 1.00 0.00 C ATOM 533 O GLU A 33 -13.911 1.466 -1.216 1.00 0.00 O ATOM 534 CB GLU A 33 -14.391 -0.255 -4.215 1.00 0.00 C ATOM 535 CG GLU A 33 -14.646 -0.084 -5.704 1.00 0.00 C ATOM 536 CD GLU A 33 -16.022 0.479 -5.999 1.00 0.00 C ATOM 537 OE1 GLU A 33 -16.155 1.719 -6.066 1.00 0.00 O ATOM 538 OE2 GLU A 33 -16.968 -0.320 -6.163 1.00 0.00 O ATOM 0 H GLU A 33 -11.690 0.694 -3.949 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.394 1.821 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.756 -1.128 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.338 -0.459 -3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.889 0.578 -6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.538 -1.048 -6.200 1.00 0.00 H new ATOM 545 N GLU A 34 -12.844 -0.433 -1.784 1.00 0.00 N ATOM 546 CA GLU A 34 -12.557 -0.817 -0.408 1.00 0.00 C ATOM 547 C GLU A 34 -11.580 -1.987 -0.366 1.00 0.00 C ATOM 548 O GLU A 34 -10.652 -2.008 0.443 1.00 0.00 O ATOM 549 CB GLU A 34 -13.849 -1.190 0.322 1.00 0.00 C ATOM 550 CG GLU A 34 -13.682 -1.316 1.827 1.00 0.00 C ATOM 551 CD GLU A 34 -13.628 0.031 2.522 1.00 0.00 C ATOM 552 OE1 GLU A 34 -12.527 0.617 2.594 1.00 0.00 O ATOM 553 OE2 GLU A 34 -14.685 0.499 2.993 1.00 0.00 O ATOM 0 H GLU A 34 -12.499 -1.089 -2.485 1.00 0.00 H new ATOM 0 HA GLU A 34 -12.100 0.036 0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.607 -0.435 0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.221 -2.135 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.510 -1.898 2.233 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.768 -1.869 2.042 1.00 0.00 H new ATOM 560 N GLY A 35 -11.797 -2.956 -1.246 1.00 0.00 N ATOM 561 CA GLY A 35 -10.931 -4.119 -1.302 1.00 0.00 C ATOM 562 C GLY A 35 -9.645 -3.845 -2.057 1.00 0.00 C ATOM 563 O GLY A 35 -8.620 -4.476 -1.799 1.00 0.00 O ATOM 0 H GLY A 35 -12.559 -2.958 -1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.693 -4.441 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.462 -4.942 -1.781 1.00 0.00 H new ATOM 567 N TRP A 36 -9.699 -2.901 -2.991 1.00 0.00 N ATOM 568 CA TRP A 36 -8.530 -2.541 -3.785 1.00 0.00 C ATOM 569 C TRP A 36 -8.162 -1.076 -3.568 1.00 0.00 C ATOM 570 O TRP A 36 -8.933 -0.177 -3.902 1.00 0.00 O ATOM 571 CB TRP A 36 -8.795 -2.797 -5.270 1.00 0.00 C ATOM 572 CG TRP A 36 -9.254 -4.194 -5.560 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.526 -4.593 -5.855 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.446 -5.377 -5.584 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.558 -5.951 -6.061 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.294 -6.455 -5.900 1.00 0.00 C ATOM 577 CE3 TRP A 36 -7.087 -5.630 -5.369 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -8.829 -7.763 -6.006 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -6.627 -6.929 -5.475 1.00 0.00 C ATOM 580 CH2 TRP A 36 -7.495 -7.981 -5.791 1.00 0.00 C ATOM 0 H TRP A 36 -10.541 -2.371 -3.217 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.695 -3.162 -3.462 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.549 -2.094 -5.623 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.884 -2.597 -5.834 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -11.382 -3.937 -5.917 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.388 -6.496 -6.296 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.410 -4.825 -5.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -9.497 -8.576 -6.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.580 -7.136 -5.311 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.104 -8.985 -5.867 1.00 0.00 H new ATOM 591 N TRP A 37 -6.982 -0.845 -3.002 1.00 0.00 N ATOM 592 CA TRP A 37 -6.515 0.511 -2.735 1.00 0.00 C ATOM 593 C TRP A 37 -5.304 0.855 -3.595 1.00 0.00 C ATOM 594 O TRP A 37 -4.638 -0.031 -4.132 1.00 0.00 O ATOM 595 CB TRP A 37 -6.163 0.669 -1.255 1.00 0.00 C ATOM 596 CG TRP A 37 -7.349 0.969 -0.389 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.660 0.717 -0.676 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.331 1.580 0.906 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.458 1.132 0.362 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.666 1.666 1.345 1.00 0.00 C ATOM 601 CE3 TRP A 37 -6.316 2.062 1.737 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -9.010 2.214 2.578 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.658 2.605 2.961 1.00 0.00 C ATOM 604 CH2 TRP A 37 -7.995 2.677 3.371 1.00 0.00 C ATOM 0 H TRP A 37 -6.332 -1.578 -2.719 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.322 1.199 -2.988 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.688 -0.246 -0.903 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.432 1.470 -1.147 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.017 0.258 -1.586 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.475 1.055 0.396 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.282 2.011 1.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.040 2.272 2.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.882 2.980 3.612 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.230 3.107 4.333 1.00 0.00 H new ATOM 615 N SER A 38 -5.025 2.148 -3.721 1.00 0.00 N ATOM 616 CA SER A 38 -3.895 2.616 -4.515 1.00 0.00 C ATOM 617 C SER A 38 -2.801 3.183 -3.617 1.00 0.00 C ATOM 618 O SER A 38 -3.061 3.584 -2.483 1.00 0.00 O ATOM 619 CB SER A 38 -4.351 3.680 -5.514 1.00 0.00 C ATOM 620 OG SER A 38 -5.467 3.231 -6.263 1.00 0.00 O ATOM 0 H SER A 38 -5.567 2.892 -3.282 1.00 0.00 H new ATOM 0 HA SER A 38 -3.490 1.765 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.610 4.595 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.531 3.925 -6.189 1.00 0.00 H new ATOM 0 HG SER A 38 -6.278 3.676 -5.940 1.00 0.00 H new ATOM 626 N GLY A 39 -1.575 3.211 -4.130 1.00 0.00 N ATOM 627 CA GLY A 39 -0.461 3.729 -3.360 1.00 0.00 C ATOM 628 C GLY A 39 0.624 4.324 -4.236 1.00 0.00 C ATOM 629 O GLY A 39 0.638 4.111 -5.449 1.00 0.00 O ATOM 0 H GLY A 39 -1.334 2.884 -5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.824 4.490 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.037 2.927 -2.756 1.00 0.00 H new ATOM 633 N THR A 40 1.536 5.071 -3.621 1.00 0.00 N ATOM 634 CA THR A 40 2.629 5.700 -4.353 1.00 0.00 C ATOM 635 C THR A 40 3.736 6.145 -3.402 1.00 0.00 C ATOM 636 O THR A 40 3.621 7.176 -2.740 1.00 0.00 O ATOM 637 CB THR A 40 2.113 6.899 -5.150 1.00 0.00 C ATOM 638 OG1 THR A 40 1.076 6.506 -6.031 1.00 0.00 O ATOM 639 CG2 THR A 40 3.185 7.576 -5.976 1.00 0.00 C ATOM 0 H THR A 40 1.539 5.255 -2.618 1.00 0.00 H new ATOM 0 HA THR A 40 3.042 4.964 -5.043 1.00 0.00 H new ATOM 0 HB THR A 40 1.751 7.607 -4.404 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.100 5.534 -6.151 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.751 8.418 -6.516 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.977 7.936 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.600 6.863 -6.689 1.00 0.00 H new ATOM 647 N LEU A 41 4.808 5.361 -3.339 1.00 0.00 N ATOM 648 CA LEU A 41 5.936 5.675 -2.469 1.00 0.00 C ATOM 649 C LEU A 41 6.749 6.839 -3.028 1.00 0.00 C ATOM 650 O LEU A 41 6.762 7.930 -2.459 1.00 0.00 O ATOM 651 CB LEU A 41 6.832 4.447 -2.295 1.00 0.00 C ATOM 652 CG LEU A 41 7.908 4.580 -1.215 1.00 0.00 C ATOM 653 CD1 LEU A 41 8.094 3.261 -0.480 1.00 0.00 C ATOM 654 CD2 LEU A 41 9.222 5.041 -1.829 1.00 0.00 C ATOM 0 H LEU A 41 4.919 4.504 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 41 5.541 5.967 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.204 3.588 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.318 4.233 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 41 7.583 5.330 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.863 3.375 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.155 2.971 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.398 2.490 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.977 5.131 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.552 4.314 -2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.080 6.009 -2.309 1.00 0.00 H new ATOM 666 N ASN A 42 7.426 6.598 -4.147 1.00 0.00 N ATOM 667 CA ASN A 42 8.241 7.626 -4.784 1.00 0.00 C ATOM 668 C ASN A 42 8.110 7.559 -6.302 1.00 0.00 C ATOM 669 O ASN A 42 7.644 8.505 -6.937 1.00 0.00 O ATOM 670 CB ASN A 42 9.708 7.471 -4.377 1.00 0.00 C ATOM 671 CG ASN A 42 10.113 8.445 -3.288 1.00 0.00 C ATOM 672 OD1 ASN A 42 9.733 8.291 -2.127 1.00 0.00 O ATOM 673 ND2 ASN A 42 10.889 9.457 -3.659 1.00 0.00 N ATOM 0 H ASN A 42 7.426 5.700 -4.631 1.00 0.00 H new ATOM 0 HA ASN A 42 7.882 8.599 -4.449 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.880 6.452 -4.031 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.342 7.623 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.194 10.145 -2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.180 9.546 -4.632 1.00 0.00 H new ATOM 680 N ASN A 43 8.523 6.435 -6.878 1.00 0.00 N ATOM 681 CA ASN A 43 8.452 6.245 -8.322 1.00 0.00 C ATOM 682 C ASN A 43 7.829 4.895 -8.664 1.00 0.00 C ATOM 683 O ASN A 43 8.159 4.288 -9.683 1.00 0.00 O ATOM 684 CB ASN A 43 9.847 6.349 -8.941 1.00 0.00 C ATOM 685 CG ASN A 43 9.831 7.047 -10.286 1.00 0.00 C ATOM 686 OD1 ASN A 43 10.360 6.532 -11.272 1.00 0.00 O ATOM 687 ND2 ASN A 43 9.224 8.227 -10.334 1.00 0.00 N ATOM 0 H ASN A 43 8.910 5.642 -6.367 1.00 0.00 H new ATOM 0 HA ASN A 43 7.820 7.031 -8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.504 6.891 -8.261 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.265 5.349 -9.058 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.183 8.744 -11.212 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.799 8.616 -9.493 1.00 0.00 H new ATOM 694 N LYS A 44 6.925 4.432 -7.807 1.00 0.00 N ATOM 695 CA LYS A 44 6.255 3.154 -8.019 1.00 0.00 C ATOM 696 C LYS A 44 4.740 3.314 -7.944 1.00 0.00 C ATOM 697 O LYS A 44 4.194 3.669 -6.900 1.00 0.00 O ATOM 698 CB LYS A 44 6.722 2.131 -6.982 1.00 0.00 C ATOM 699 CG LYS A 44 8.216 1.850 -7.034 1.00 0.00 C ATOM 700 CD LYS A 44 8.501 0.390 -7.348 1.00 0.00 C ATOM 701 CE LYS A 44 8.245 0.076 -8.813 1.00 0.00 C ATOM 702 NZ LYS A 44 9.489 0.163 -9.626 1.00 0.00 N ATOM 0 H LYS A 44 6.640 4.922 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 44 6.516 2.797 -9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.463 2.491 -5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.180 1.198 -7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.680 2.483 -7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.670 2.112 -6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.537 0.159 -7.101 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.875 -0.247 -6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.823 -0.925 -8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.504 0.770 -9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.271 -0.058 -10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.878 1.125 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.188 -0.517 -9.265 1.00 0.00 H new ATOM 716 N LEU A 45 4.066 3.050 -9.059 1.00 0.00 N ATOM 717 CA LEU A 45 2.613 3.165 -9.120 1.00 0.00 C ATOM 718 C LEU A 45 1.973 1.813 -9.419 1.00 0.00 C ATOM 719 O LEU A 45 2.368 1.122 -10.359 1.00 0.00 O ATOM 720 CB LEU A 45 2.205 4.183 -10.188 1.00 0.00 C ATOM 721 CG LEU A 45 2.100 5.629 -9.700 1.00 0.00 C ATOM 722 CD1 LEU A 45 3.423 6.355 -9.891 1.00 0.00 C ATOM 723 CD2 LEU A 45 0.981 6.358 -10.428 1.00 0.00 C ATOM 0 H LEU A 45 4.503 2.755 -9.932 1.00 0.00 H new ATOM 0 HA LEU A 45 2.259 3.508 -8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.929 4.142 -11.002 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.242 3.885 -10.603 1.00 0.00 H new ATOM 0 HG LEU A 45 1.866 5.616 -8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.329 7.382 -9.538 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.202 5.846 -9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.687 6.358 -10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.921 7.385 -10.068 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.185 6.360 -11.499 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.034 5.852 -10.240 1.00 0.00 H new ATOM 735 N GLY A 46 0.983 1.441 -8.614 1.00 0.00 N ATOM 736 CA GLY A 46 0.304 0.173 -8.809 1.00 0.00 C ATOM 737 C GLY A 46 -0.856 -0.017 -7.852 1.00 0.00 C ATOM 738 O GLY A 46 -0.999 0.729 -6.883 1.00 0.00 O ATOM 0 H GLY A 46 0.639 1.995 -7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.061 0.114 -9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.017 -0.641 -8.677 1.00 0.00 H new ATOM 742 N LEU A 47 -1.688 -1.018 -8.123 1.00 0.00 N ATOM 743 CA LEU A 47 -2.842 -1.303 -7.278 1.00 0.00 C ATOM 744 C LEU A 47 -2.680 -2.645 -6.571 1.00 0.00 C ATOM 745 O LEU A 47 -2.005 -3.545 -7.071 1.00 0.00 O ATOM 746 CB LEU A 47 -4.126 -1.300 -8.113 1.00 0.00 C ATOM 747 CG LEU A 47 -5.134 -0.210 -7.744 1.00 0.00 C ATOM 748 CD1 LEU A 47 -5.820 0.328 -8.991 1.00 0.00 C ATOM 749 CD2 LEU A 47 -6.161 -0.746 -6.758 1.00 0.00 C ATOM 0 H LEU A 47 -1.584 -1.645 -8.921 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.910 -0.522 -6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.858 -1.186 -9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.610 -2.271 -8.011 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.596 0.610 -7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.533 1.102 -8.708 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.073 0.750 -9.663 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.345 -0.483 -9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.870 0.043 -6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.694 -1.584 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.655 -1.082 -5.853 1.00 0.00 H new ATOM 761 N PHE A 48 -3.306 -2.772 -5.405 1.00 0.00 N ATOM 762 CA PHE A 48 -3.233 -4.005 -4.629 1.00 0.00 C ATOM 763 C PHE A 48 -4.350 -4.060 -3.589 1.00 0.00 C ATOM 764 O PHE A 48 -4.997 -3.052 -3.307 1.00 0.00 O ATOM 765 CB PHE A 48 -1.871 -4.127 -3.940 1.00 0.00 C ATOM 766 CG PHE A 48 -1.334 -2.823 -3.420 1.00 0.00 C ATOM 767 CD1 PHE A 48 -2.094 -2.034 -2.571 1.00 0.00 C ATOM 768 CD2 PHE A 48 -0.069 -2.388 -3.781 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.602 -0.835 -2.092 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.428 -1.190 -3.304 1.00 0.00 C ATOM 771 CZ PHE A 48 -0.339 -0.412 -2.459 1.00 0.00 C ATOM 0 H PHE A 48 -3.869 -2.037 -4.977 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.357 -4.842 -5.316 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.955 -4.830 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.154 -4.549 -4.645 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.082 -2.360 -2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.535 -2.992 -4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.204 -0.229 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.416 -0.862 -3.592 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.048 0.525 -2.086 1.00 0.00 H new ATOM 781 N PRO A 49 -4.594 -5.247 -3.007 1.00 0.00 N ATOM 782 CA PRO A 49 -5.642 -5.432 -1.997 1.00 0.00 C ATOM 783 C PRO A 49 -5.458 -4.518 -0.791 1.00 0.00 C ATOM 784 O PRO A 49 -4.393 -4.493 -0.173 1.00 0.00 O ATOM 785 CB PRO A 49 -5.490 -6.899 -1.581 1.00 0.00 C ATOM 786 CG PRO A 49 -4.783 -7.550 -2.719 1.00 0.00 C ATOM 787 CD PRO A 49 -3.875 -6.501 -3.291 1.00 0.00 C ATOM 0 HA PRO A 49 -6.628 -5.188 -2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.919 -6.990 -0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.461 -7.362 -1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.215 -8.417 -2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.491 -7.905 -3.468 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.892 -6.518 -2.820 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.718 -6.643 -4.360 1.00 0.00 H new ATOM 795 N SER A 50 -6.505 -3.770 -0.462 1.00 0.00 N ATOM 796 CA SER A 50 -6.471 -2.851 0.670 1.00 0.00 C ATOM 797 C SER A 50 -6.241 -3.599 1.982 1.00 0.00 C ATOM 798 O SER A 50 -5.834 -3.005 2.980 1.00 0.00 O ATOM 799 CB SER A 50 -7.777 -2.059 0.747 1.00 0.00 C ATOM 800 OG SER A 50 -7.686 -1.016 1.701 1.00 0.00 O ATOM 0 H SER A 50 -7.392 -3.782 -0.966 1.00 0.00 H new ATOM 0 HA SER A 50 -5.640 -2.163 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.010 -1.641 -0.232 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.596 -2.728 1.012 1.00 0.00 H new ATOM 0 HG SER A 50 -8.009 -0.180 1.304 1.00 0.00 H new ATOM 806 N ASN A 51 -6.512 -4.901 1.978 1.00 0.00 N ATOM 807 CA ASN A 51 -6.340 -5.720 3.172 1.00 0.00 C ATOM 808 C ASN A 51 -4.882 -5.739 3.622 1.00 0.00 C ATOM 809 O ASN A 51 -4.591 -5.955 4.798 1.00 0.00 O ATOM 810 CB ASN A 51 -6.821 -7.148 2.909 1.00 0.00 C ATOM 811 CG ASN A 51 -6.828 -7.996 4.166 1.00 0.00 C ATOM 812 OD1 ASN A 51 -6.272 -9.094 4.191 1.00 0.00 O ATOM 813 ND2 ASN A 51 -7.460 -7.489 5.218 1.00 0.00 N ATOM 0 H ASN A 51 -6.851 -5.410 1.162 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.939 -5.280 3.969 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.826 -7.118 2.488 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.177 -7.614 2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.498 -8.014 6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.907 -6.575 5.152 1.00 0.00 H new ATOM 820 N PHE A 52 -3.968 -5.508 2.684 1.00 0.00 N ATOM 821 CA PHE A 52 -2.545 -5.498 3.000 1.00 0.00 C ATOM 822 C PHE A 52 -2.187 -4.266 3.833 1.00 0.00 C ATOM 823 O PHE A 52 -2.267 -4.310 5.059 1.00 0.00 O ATOM 824 CB PHE A 52 -1.712 -5.545 1.716 1.00 0.00 C ATOM 825 CG PHE A 52 -1.665 -6.906 1.083 1.00 0.00 C ATOM 826 CD1 PHE A 52 -1.255 -8.010 1.813 1.00 0.00 C ATOM 827 CD2 PHE A 52 -2.032 -7.082 -0.242 1.00 0.00 C ATOM 828 CE1 PHE A 52 -1.212 -9.264 1.234 1.00 0.00 C ATOM 829 CE2 PHE A 52 -1.991 -8.334 -0.826 1.00 0.00 C ATOM 830 CZ PHE A 52 -1.581 -9.426 -0.087 1.00 0.00 C ATOM 0 H PHE A 52 -4.186 -5.326 1.704 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.316 -6.385 3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.123 -4.834 1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.695 -5.221 1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.966 -7.889 2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.354 -6.231 -0.825 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.890 -10.116 1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.279 -8.458 -1.859 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.549 -10.405 -0.541 1.00 0.00 H new ATOM 840 N VAL A 53 -1.792 -3.178 3.155 1.00 0.00 N ATOM 841 CA VAL A 53 -1.422 -1.909 3.804 1.00 0.00 C ATOM 842 C VAL A 53 -1.907 -1.808 5.248 1.00 0.00 C ATOM 843 O VAL A 53 -2.990 -2.284 5.586 1.00 0.00 O ATOM 844 CB VAL A 53 -1.967 -0.703 3.016 1.00 0.00 C ATOM 845 CG1 VAL A 53 -1.152 -0.478 1.752 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.438 -0.904 2.684 1.00 0.00 C ATOM 0 H VAL A 53 -1.720 -3.152 2.138 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.332 -1.894 3.812 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.878 0.187 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.552 0.378 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.113 -0.285 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.206 -1.365 1.121 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.806 -0.042 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.555 -1.804 2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.008 -1.010 3.607 1.00 0.00 H new ATOM 856 N LYS A 54 -1.112 -1.161 6.095 1.00 0.00 N ATOM 857 CA LYS A 54 -1.486 -0.994 7.492 1.00 0.00 C ATOM 858 C LYS A 54 -1.188 0.415 7.991 1.00 0.00 C ATOM 859 O LYS A 54 -0.035 0.834 8.046 1.00 0.00 O ATOM 860 CB LYS A 54 -0.774 -2.022 8.370 1.00 0.00 C ATOM 861 CG LYS A 54 -1.683 -2.653 9.411 1.00 0.00 C ATOM 862 CD LYS A 54 -1.643 -1.890 10.725 1.00 0.00 C ATOM 863 CE LYS A 54 -2.078 -2.765 11.890 1.00 0.00 C ATOM 864 NZ LYS A 54 -3.450 -3.314 11.694 1.00 0.00 N ATOM 0 H LYS A 54 -0.215 -0.748 5.841 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.562 -1.154 7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.359 -2.806 7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.065 -1.541 8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.706 -2.678 9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.381 -3.686 9.580 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.633 -1.522 10.903 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.294 -1.018 10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.372 -3.587 12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.048 -2.183 12.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.761 -3.791 12.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.106 -2.538 11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.442 -3.997 10.910 1.00 0.00 H new ATOM 878 N GLU A 55 -2.238 1.139 8.364 1.00 0.00 N ATOM 879 CA GLU A 55 -2.091 2.500 8.864 1.00 0.00 C ATOM 880 C GLU A 55 -1.260 2.525 10.144 1.00 0.00 C ATOM 881 O GLU A 55 -1.451 1.700 11.037 1.00 0.00 O ATOM 882 CB GLU A 55 -3.466 3.122 9.120 1.00 0.00 C ATOM 883 CG GLU A 55 -3.652 4.480 8.462 1.00 0.00 C ATOM 884 CD GLU A 55 -4.258 5.506 9.400 1.00 0.00 C ATOM 885 OE1 GLU A 55 -3.531 6.004 10.285 1.00 0.00 O ATOM 886 OE2 GLU A 55 -5.460 5.811 9.249 1.00 0.00 O ATOM 0 H GLU A 55 -3.201 0.805 8.329 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.571 3.085 8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.236 2.442 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.614 3.225 10.195 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.687 4.843 8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.292 4.371 7.587 1.00 0.00 H new ATOM 893 N LEU A 56 -0.337 3.478 10.224 1.00 0.00 N ATOM 894 CA LEU A 56 0.525 3.613 11.393 1.00 0.00 C ATOM 895 C LEU A 56 -0.299 3.871 12.650 1.00 0.00 C ATOM 896 O LEU A 56 -1.430 4.353 12.576 1.00 0.00 O ATOM 897 CB LEU A 56 1.527 4.751 11.186 1.00 0.00 C ATOM 898 CG LEU A 56 2.719 4.411 10.289 1.00 0.00 C ATOM 899 CD1 LEU A 56 3.375 5.681 9.770 1.00 0.00 C ATOM 900 CD2 LEU A 56 3.727 3.558 11.044 1.00 0.00 C ATOM 0 H LEU A 56 -0.167 4.169 9.493 1.00 0.00 H new ATOM 0 HA LEU A 56 1.069 2.677 11.521 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.001 5.604 10.757 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.903 5.065 12.160 1.00 0.00 H new ATOM 0 HG LEU A 56 2.356 3.839 9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.221 5.420 9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.650 6.255 9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.725 6.280 10.611 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.568 3.325 10.391 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.085 4.105 11.916 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.251 2.632 11.366 1.00 0.00 H new