USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 672 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0117 (180deg=0) USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc=-0.00229 X(o=-0.0023,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0237) USER MOD Single : A 27 THR OG1 : rot 180:sc= -3.56! USER MOD Single : A 33 SER OG : rot -29:sc= 0.685 USER MOD Single : A 41 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.31) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.368 K(o=-0.37,f=-3.7!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.0075) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 165:sc=-0.00163 (180deg=-0.0902) USER MOD Single : A 77 THR OG1 : rot -31:sc= 0.726 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.859 4.293 -14.580 1.00 0.00 N ATOM 2 CA MET A 1 5.564 3.479 -13.597 1.00 0.00 C ATOM 3 C MET A 1 4.581 2.781 -12.663 1.00 0.00 C ATOM 4 O MET A 1 3.602 3.378 -12.218 1.00 0.00 O ATOM 5 CB MET A 1 6.530 4.343 -12.784 1.00 0.00 C ATOM 6 CG MET A 1 7.499 3.538 -11.934 1.00 0.00 C ATOM 7 SD MET A 1 8.892 2.899 -12.883 1.00 0.00 S ATOM 8 CE MET A 1 10.213 3.959 -12.299 1.00 0.00 C ATOM 0 H1 MET A 1 5.352 5.201 -14.696 1.00 0.00 H new ATOM 0 H2 MET A 1 4.835 3.793 -15.492 1.00 0.00 H new ATOM 0 H3 MET A 1 3.887 4.466 -14.254 1.00 0.00 H new ATOM 0 HA MET A 1 6.132 2.719 -14.134 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.098 4.977 -13.465 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.955 5.005 -12.136 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.873 4.165 -11.125 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.967 2.706 -11.473 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.144 3.687 -12.795 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.972 4.998 -12.524 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.327 3.838 -11.222 1.00 0.00 H new ATOM 18 N GLY A 2 4.847 1.511 -12.371 1.00 0.00 N ATOM 19 CA GLY A 2 3.976 0.753 -11.492 1.00 0.00 C ATOM 20 C GLY A 2 4.395 -0.698 -11.371 1.00 0.00 C ATOM 21 O GLY A 2 4.717 -1.171 -10.281 1.00 0.00 O ATOM 0 H GLY A 2 5.650 0.994 -12.728 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.975 1.211 -10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.954 0.803 -11.867 1.00 0.00 H new ATOM 25 N VAL A 3 4.390 -1.410 -12.494 1.00 0.00 N ATOM 26 CA VAL A 3 4.772 -2.817 -12.509 1.00 0.00 C ATOM 27 C VAL A 3 6.168 -3.014 -11.930 1.00 0.00 C ATOM 28 O VAL A 3 7.056 -2.183 -12.126 1.00 0.00 O ATOM 29 CB VAL A 3 4.735 -3.393 -13.937 1.00 0.00 C ATOM 30 CG1 VAL A 3 5.716 -2.656 -14.836 1.00 0.00 C ATOM 31 CG2 VAL A 3 5.033 -4.884 -13.918 1.00 0.00 C ATOM 0 H VAL A 3 4.126 -1.035 -13.405 1.00 0.00 H new ATOM 0 HA VAL A 3 4.048 -3.348 -11.892 1.00 0.00 H new ATOM 0 HB VAL A 3 3.733 -3.252 -14.341 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.676 -3.077 -15.841 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.451 -1.599 -14.874 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.725 -2.763 -14.438 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.003 -5.274 -14.935 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.023 -5.052 -13.494 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.287 -5.396 -13.311 1.00 0.00 H new ATOM 41 N LEU A 4 6.356 -4.118 -11.217 1.00 0.00 N ATOM 42 CA LEU A 4 7.646 -4.426 -10.608 1.00 0.00 C ATOM 43 C LEU A 4 8.773 -4.298 -11.628 1.00 0.00 C ATOM 44 O LEU A 4 8.533 -4.283 -12.835 1.00 0.00 O ATOM 45 CB LEU A 4 7.631 -5.838 -10.021 1.00 0.00 C ATOM 46 CG LEU A 4 6.476 -6.159 -9.072 1.00 0.00 C ATOM 47 CD1 LEU A 4 6.009 -4.901 -8.356 1.00 0.00 C ATOM 48 CD2 LEU A 4 5.324 -6.801 -9.831 1.00 0.00 C ATOM 0 H LEU A 4 5.632 -4.816 -11.046 1.00 0.00 H new ATOM 0 HA LEU A 4 7.823 -3.709 -9.807 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.607 -6.552 -10.844 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.568 -5.998 -9.488 1.00 0.00 H new ATOM 0 HG LEU A 4 6.832 -6.868 -8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.187 -5.148 -7.685 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.834 -4.483 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.671 -4.169 -9.090 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.511 -7.022 -9.139 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.969 -6.116 -10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.666 -7.725 -10.297 1.00 0.00 H new ATOM 60 N ARG A 5 10.004 -4.210 -11.134 1.00 0.00 N ATOM 61 CA ARG A 5 11.169 -4.085 -12.002 1.00 0.00 C ATOM 62 C ARG A 5 12.385 -4.765 -11.380 1.00 0.00 C ATOM 63 O ARG A 5 12.316 -5.288 -10.268 1.00 0.00 O ATOM 64 CB ARG A 5 11.476 -2.611 -12.269 1.00 0.00 C ATOM 65 CG ARG A 5 12.104 -1.895 -11.085 1.00 0.00 C ATOM 66 CD ARG A 5 11.653 -0.445 -11.007 1.00 0.00 C ATOM 67 NE ARG A 5 12.025 0.309 -12.200 1.00 0.00 N ATOM 68 CZ ARG A 5 13.254 0.758 -12.432 1.00 0.00 C ATOM 69 NH1 ARG A 5 14.223 0.529 -11.557 1.00 0.00 N ATOM 70 NH2 ARG A 5 13.515 1.437 -13.542 1.00 0.00 N ATOM 0 H ARG A 5 10.220 -4.223 -10.137 1.00 0.00 H new ATOM 0 HA ARG A 5 10.942 -4.579 -12.947 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.147 -2.538 -13.125 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.553 -2.100 -12.543 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.836 -2.411 -10.163 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.190 -1.935 -11.168 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.571 -0.408 -10.878 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.095 0.025 -10.129 1.00 0.00 H new ATOM 0 HE ARG A 5 11.302 0.502 -12.893 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.026 0.007 -10.703 1.00 0.00 H new ATOM 0 HH12 ARG A 5 15.165 0.875 -11.738 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.772 1.615 -14.218 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.459 1.781 -13.719 1.00 0.00 H new ATOM 84 N VAL A 6 13.498 -4.754 -12.107 1.00 0.00 N ATOM 85 CA VAL A 6 14.730 -5.369 -11.627 1.00 0.00 C ATOM 86 C VAL A 6 15.539 -4.391 -10.782 1.00 0.00 C ATOM 87 O VAL A 6 15.892 -3.305 -11.238 1.00 0.00 O ATOM 88 CB VAL A 6 15.603 -5.864 -12.796 1.00 0.00 C ATOM 89 CG1 VAL A 6 15.893 -4.728 -13.764 1.00 0.00 C ATOM 90 CG2 VAL A 6 16.895 -6.475 -12.274 1.00 0.00 C ATOM 0 H VAL A 6 13.572 -4.326 -13.030 1.00 0.00 H new ATOM 0 HA VAL A 6 14.440 -6.222 -11.013 1.00 0.00 H new ATOM 0 HB VAL A 6 15.055 -6.637 -13.335 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.511 -5.097 -14.583 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.955 -4.341 -14.163 1.00 0.00 H new ATOM 0 HG13 VAL A 6 16.421 -3.931 -13.241 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.500 -6.819 -13.113 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.450 -5.725 -11.710 1.00 0.00 H new ATOM 0 HG23 VAL A 6 16.662 -7.319 -11.624 1.00 0.00 H new ATOM 100 N GLY A 7 15.831 -4.786 -9.546 1.00 0.00 N ATOM 101 CA GLY A 7 16.597 -3.933 -8.656 1.00 0.00 C ATOM 102 C GLY A 7 15.925 -3.748 -7.310 1.00 0.00 C ATOM 103 O GLY A 7 16.578 -3.402 -6.324 1.00 0.00 O ATOM 0 H GLY A 7 15.551 -5.681 -9.146 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.587 -4.364 -8.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.740 -2.959 -9.124 1.00 0.00 H new ATOM 107 N LEU A 8 14.617 -3.976 -7.267 1.00 0.00 N ATOM 108 CA LEU A 8 13.856 -3.831 -6.031 1.00 0.00 C ATOM 109 C LEU A 8 14.262 -4.892 -5.013 1.00 0.00 C ATOM 110 O LEU A 8 14.391 -4.607 -3.822 1.00 0.00 O ATOM 111 CB LEU A 8 12.357 -3.931 -6.318 1.00 0.00 C ATOM 112 CG LEU A 8 11.868 -3.230 -7.586 1.00 0.00 C ATOM 113 CD1 LEU A 8 10.356 -3.343 -7.710 1.00 0.00 C ATOM 114 CD2 LEU A 8 12.297 -1.770 -7.587 1.00 0.00 C ATOM 0 H LEU A 8 14.062 -4.262 -8.073 1.00 0.00 H new ATOM 0 HA LEU A 8 14.075 -2.849 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.090 -4.986 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.816 -3.518 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 8 12.320 -3.722 -8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.027 -2.838 -8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.072 -4.394 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.884 -2.877 -6.845 1.00 0.00 H new ATOM 0 HD21 LEU A 8 11.941 -1.287 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.874 -1.266 -6.718 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.385 -1.710 -7.547 1.00 0.00 H new ATOM 126 N CYS A 9 14.464 -6.115 -5.490 1.00 0.00 N ATOM 127 CA CYS A 9 14.858 -7.219 -4.622 1.00 0.00 C ATOM 128 C CYS A 9 15.823 -8.158 -5.339 1.00 0.00 C ATOM 129 O CYS A 9 15.864 -8.225 -6.568 1.00 0.00 O ATOM 130 CB CYS A 9 13.624 -7.995 -4.157 1.00 0.00 C ATOM 131 SG CYS A 9 12.449 -8.374 -5.479 1.00 0.00 S ATOM 0 H CYS A 9 14.361 -6.367 -6.473 1.00 0.00 H new ATOM 0 HA CYS A 9 15.365 -6.801 -3.752 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.947 -8.928 -3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.114 -7.417 -3.386 1.00 0.00 H new ATOM 0 HG CYS A 9 11.441 -9.033 -4.988 1.00 0.00 H new ATOM 137 N PRO A 10 16.620 -8.899 -4.556 1.00 0.00 N ATOM 138 CA PRO A 10 17.600 -9.846 -5.095 1.00 0.00 C ATOM 139 C PRO A 10 16.940 -11.060 -5.739 1.00 0.00 C ATOM 140 O PRO A 10 15.870 -11.495 -5.315 1.00 0.00 O ATOM 141 CB PRO A 10 18.403 -10.266 -3.861 1.00 0.00 C ATOM 142 CG PRO A 10 17.475 -10.054 -2.715 1.00 0.00 C ATOM 143 CD PRO A 10 16.625 -8.870 -3.084 1.00 0.00 C ATOM 0 HA PRO A 10 18.206 -9.400 -5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.717 -11.308 -3.929 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.307 -9.667 -3.754 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.860 -10.937 -2.542 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.028 -9.866 -1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.618 -8.956 -2.677 1.00 0.00 H new ATOM 0 HD3 PRO A 10 17.045 -7.939 -2.702 1.00 0.00 H new ATOM 151 N GLY A 11 17.586 -11.604 -6.766 1.00 0.00 N ATOM 152 CA GLY A 11 17.046 -12.764 -7.452 1.00 0.00 C ATOM 153 C GLY A 11 16.428 -12.410 -8.790 1.00 0.00 C ATOM 154 O GLY A 11 16.665 -13.088 -9.790 1.00 0.00 O ATOM 0 H GLY A 11 18.473 -11.262 -7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 11 17.840 -13.495 -7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.293 -13.238 -6.821 1.00 0.00 H new ATOM 158 N LEU A 12 15.632 -11.347 -8.809 1.00 0.00 N ATOM 159 CA LEU A 12 14.976 -10.905 -10.034 1.00 0.00 C ATOM 160 C LEU A 12 15.979 -10.265 -10.989 1.00 0.00 C ATOM 161 O LEU A 12 16.781 -9.420 -10.590 1.00 0.00 O ATOM 162 CB LEU A 12 13.859 -9.911 -9.708 1.00 0.00 C ATOM 163 CG LEU A 12 12.468 -10.509 -9.497 1.00 0.00 C ATOM 164 CD1 LEU A 12 11.926 -11.074 -10.800 1.00 0.00 C ATOM 165 CD2 LEU A 12 12.509 -11.586 -8.422 1.00 0.00 C ATOM 0 H LEU A 12 15.425 -10.775 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 12 14.545 -11.779 -10.522 1.00 0.00 H new ATOM 0 HB2 LEU A 12 14.138 -9.365 -8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.800 -9.183 -10.517 1.00 0.00 H new ATOM 0 HG LEU A 12 11.799 -9.716 -9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.935 -11.495 -10.630 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.859 -10.278 -11.542 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.594 -11.854 -11.164 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.511 -12.001 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.193 -12.378 -8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.853 -11.151 -7.484 1.00 0.00 H new ATOM 177 N THR A 13 15.927 -10.672 -12.254 1.00 0.00 N ATOM 178 CA THR A 13 16.829 -10.139 -13.266 1.00 0.00 C ATOM 179 C THR A 13 16.076 -9.283 -14.278 1.00 0.00 C ATOM 180 O THR A 13 14.865 -9.423 -14.443 1.00 0.00 O ATOM 181 CB THR A 13 17.566 -11.267 -14.013 1.00 0.00 C ATOM 182 OG1 THR A 13 18.265 -10.732 -15.142 1.00 0.00 O ATOM 183 CG2 THR A 13 16.589 -12.338 -14.475 1.00 0.00 C ATOM 0 H THR A 13 15.269 -11.370 -12.601 1.00 0.00 H new ATOM 0 HA THR A 13 17.560 -9.521 -12.744 1.00 0.00 H new ATOM 0 HB THR A 13 18.281 -11.721 -13.327 1.00 0.00 H new ATOM 0 HG1 THR A 13 18.732 -11.455 -15.610 1.00 0.00 H new ATOM 0 HG21 THR A 13 17.132 -13.124 -15.000 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.080 -12.764 -13.610 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.854 -11.895 -15.146 1.00 0.00 H new ATOM 191 N GLU A 14 16.802 -8.397 -14.953 1.00 0.00 N ATOM 192 CA GLU A 14 16.200 -7.518 -15.949 1.00 0.00 C ATOM 193 C GLU A 14 15.529 -8.327 -17.054 1.00 0.00 C ATOM 194 O GLU A 14 14.576 -7.867 -17.682 1.00 0.00 O ATOM 195 CB GLU A 14 17.260 -6.592 -16.551 1.00 0.00 C ATOM 196 CG GLU A 14 18.202 -7.292 -17.516 1.00 0.00 C ATOM 197 CD GLU A 14 19.498 -6.532 -17.720 1.00 0.00 C ATOM 198 OE1 GLU A 14 19.781 -5.615 -16.921 1.00 0.00 O ATOM 199 OE2 GLU A 14 20.230 -6.856 -18.679 1.00 0.00 O ATOM 0 H GLU A 14 17.806 -8.269 -14.829 1.00 0.00 H new ATOM 0 HA GLU A 14 15.440 -6.915 -15.452 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.762 -5.774 -17.071 1.00 0.00 H new ATOM 0 HB3 GLU A 14 17.843 -6.149 -15.744 1.00 0.00 H new ATOM 0 HG2 GLU A 14 18.426 -8.290 -17.140 1.00 0.00 H new ATOM 0 HG3 GLU A 14 17.704 -7.418 -18.477 1.00 0.00 H new ATOM 206 N GLU A 15 16.035 -9.535 -17.286 1.00 0.00 N ATOM 207 CA GLU A 15 15.484 -10.408 -18.316 1.00 0.00 C ATOM 208 C GLU A 15 14.009 -10.696 -18.055 1.00 0.00 C ATOM 209 O GLU A 15 13.175 -10.584 -18.953 1.00 0.00 O ATOM 210 CB GLU A 15 16.269 -11.720 -18.376 1.00 0.00 C ATOM 211 CG GLU A 15 17.440 -11.686 -19.344 1.00 0.00 C ATOM 212 CD GLU A 15 18.441 -12.795 -19.088 1.00 0.00 C ATOM 213 OE1 GLU A 15 18.327 -13.468 -18.043 1.00 0.00 O ATOM 214 OE2 GLU A 15 19.339 -12.990 -19.934 1.00 0.00 O ATOM 0 H GLU A 15 16.824 -9.930 -16.775 1.00 0.00 H new ATOM 0 HA GLU A 15 15.571 -9.896 -19.274 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.640 -11.957 -17.379 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.593 -12.525 -18.665 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.065 -11.768 -20.364 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.943 -10.722 -19.266 1.00 0.00 H new ATOM 221 N MET A 16 13.695 -11.068 -16.818 1.00 0.00 N ATOM 222 CA MET A 16 12.321 -11.371 -16.437 1.00 0.00 C ATOM 223 C MET A 16 11.432 -10.140 -16.579 1.00 0.00 C ATOM 224 O MET A 16 10.242 -10.252 -16.872 1.00 0.00 O ATOM 225 CB MET A 16 12.270 -11.889 -14.998 1.00 0.00 C ATOM 226 CG MET A 16 11.545 -13.217 -14.855 1.00 0.00 C ATOM 227 SD MET A 16 11.296 -13.691 -13.134 1.00 0.00 S ATOM 228 CE MET A 16 9.815 -14.689 -13.267 1.00 0.00 C ATOM 0 H MET A 16 14.374 -11.167 -16.063 1.00 0.00 H new ATOM 0 HA MET A 16 11.948 -12.145 -17.107 1.00 0.00 H new ATOM 0 HB2 MET A 16 13.288 -11.998 -14.624 1.00 0.00 H new ATOM 0 HB3 MET A 16 11.777 -11.146 -14.370 1.00 0.00 H new ATOM 0 HG2 MET A 16 10.578 -13.154 -15.354 1.00 0.00 H new ATOM 0 HG3 MET A 16 12.116 -13.994 -15.363 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.534 -15.056 -12.280 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.004 -14.085 -13.674 1.00 0.00 H new ATOM 0 HE3 MET A 16 10.004 -15.535 -13.928 1.00 0.00 H new ATOM 238 N ILE A 17 12.018 -8.966 -16.368 1.00 0.00 N ATOM 239 CA ILE A 17 11.279 -7.714 -16.473 1.00 0.00 C ATOM 240 C ILE A 17 10.729 -7.517 -17.882 1.00 0.00 C ATOM 241 O ILE A 17 9.601 -7.058 -18.059 1.00 0.00 O ATOM 242 CB ILE A 17 12.162 -6.506 -16.106 1.00 0.00 C ATOM 243 CG1 ILE A 17 12.880 -6.757 -14.778 1.00 0.00 C ATOM 244 CG2 ILE A 17 11.322 -5.240 -16.030 1.00 0.00 C ATOM 245 CD1 ILE A 17 11.943 -7.096 -13.640 1.00 0.00 C ATOM 0 H ILE A 17 13.002 -8.856 -16.123 1.00 0.00 H new ATOM 0 HA ILE A 17 10.451 -7.776 -15.767 1.00 0.00 H new ATOM 0 HB ILE A 17 12.914 -6.373 -16.884 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.592 -7.572 -14.907 1.00 0.00 H new ATOM 0 HG13 ILE A 17 13.456 -5.871 -14.512 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.960 -4.395 -15.770 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.853 -5.056 -16.996 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.551 -5.360 -15.269 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.520 -7.261 -12.730 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.247 -6.272 -13.484 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.385 -8.000 -13.885 1.00 0.00 H new ATOM 257 N GLN A 18 11.533 -7.869 -18.880 1.00 0.00 N ATOM 258 CA GLN A 18 11.126 -7.732 -20.273 1.00 0.00 C ATOM 259 C GLN A 18 9.897 -8.586 -20.568 1.00 0.00 C ATOM 260 O GLN A 18 8.995 -8.167 -21.294 1.00 0.00 O ATOM 261 CB GLN A 18 12.273 -8.129 -21.204 1.00 0.00 C ATOM 262 CG GLN A 18 11.865 -8.229 -22.665 1.00 0.00 C ATOM 263 CD GLN A 18 12.994 -7.873 -23.612 1.00 0.00 C ATOM 264 OE1 GLN A 18 13.594 -8.748 -24.236 1.00 0.00 O ATOM 265 NE2 GLN A 18 13.289 -6.583 -23.724 1.00 0.00 N ATOM 0 H GLN A 18 12.470 -8.251 -18.750 1.00 0.00 H new ATOM 0 HA GLN A 18 10.870 -6.687 -20.449 1.00 0.00 H new ATOM 0 HB2 GLN A 18 13.076 -7.398 -21.109 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.676 -9.089 -20.881 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.526 -9.243 -22.875 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.019 -7.566 -22.848 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.765 -5.892 -23.187 1.00 0.00 H new ATOM 0 HE22 GLN A 18 14.039 -6.284 -24.347 1.00 0.00 H new ATOM 274 N LEU A 19 9.868 -9.787 -20.000 1.00 0.00 N ATOM 275 CA LEU A 19 8.750 -10.702 -20.202 1.00 0.00 C ATOM 276 C LEU A 19 7.489 -10.178 -19.522 1.00 0.00 C ATOM 277 O LEU A 19 6.391 -10.271 -20.072 1.00 0.00 O ATOM 278 CB LEU A 19 9.097 -12.090 -19.660 1.00 0.00 C ATOM 279 CG LEU A 19 10.172 -12.861 -20.426 1.00 0.00 C ATOM 280 CD1 LEU A 19 10.493 -14.170 -19.724 1.00 0.00 C ATOM 281 CD2 LEU A 19 9.725 -13.117 -21.858 1.00 0.00 C ATOM 0 H LEU A 19 10.606 -10.150 -19.396 1.00 0.00 H new ATOM 0 HA LEU A 19 8.560 -10.774 -21.273 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.423 -11.983 -18.625 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.187 -12.691 -19.647 1.00 0.00 H new ATOM 0 HG LEU A 19 11.078 -12.255 -20.451 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.260 -14.705 -20.284 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.856 -13.963 -18.717 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.593 -14.782 -19.666 1.00 0.00 H new ATOM 0 HD21 LEU A 19 10.502 -13.667 -22.389 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.805 -13.702 -21.853 1.00 0.00 H new ATOM 0 HD23 LEU A 19 9.547 -12.166 -22.359 1.00 0.00 H new ATOM 293 N LEU A 20 7.654 -9.627 -18.325 1.00 0.00 N ATOM 294 CA LEU A 20 6.528 -9.086 -17.571 1.00 0.00 C ATOM 295 C LEU A 20 5.998 -7.813 -18.222 1.00 0.00 C ATOM 296 O LEU A 20 4.787 -7.623 -18.342 1.00 0.00 O ATOM 297 CB LEU A 20 6.948 -8.797 -16.128 1.00 0.00 C ATOM 298 CG LEU A 20 7.517 -9.981 -15.345 1.00 0.00 C ATOM 299 CD1 LEU A 20 8.446 -9.495 -14.243 1.00 0.00 C ATOM 300 CD2 LEU A 20 6.393 -10.826 -14.764 1.00 0.00 C ATOM 0 H LEU A 20 8.556 -9.543 -17.856 1.00 0.00 H new ATOM 0 HA LEU A 20 5.732 -9.830 -17.570 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.694 -8.003 -16.140 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.082 -8.413 -15.589 1.00 0.00 H new ATOM 0 HG LEU A 20 8.094 -10.602 -16.031 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.841 -10.351 -13.696 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.270 -8.933 -14.683 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.893 -8.852 -13.559 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.817 -11.664 -14.210 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.789 -10.216 -14.093 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.767 -11.205 -15.572 1.00 0.00 H new ATOM 312 N ARG A 21 6.912 -6.945 -18.644 1.00 0.00 N ATOM 313 CA ARG A 21 6.536 -5.691 -19.285 1.00 0.00 C ATOM 314 C ARG A 21 5.921 -5.945 -20.658 1.00 0.00 C ATOM 315 O ARG A 21 5.097 -5.164 -21.134 1.00 0.00 O ATOM 316 CB ARG A 21 7.756 -4.778 -19.422 1.00 0.00 C ATOM 317 CG ARG A 21 7.422 -3.389 -19.942 1.00 0.00 C ATOM 318 CD ARG A 21 8.680 -2.585 -20.231 1.00 0.00 C ATOM 319 NE ARG A 21 9.198 -1.931 -19.032 1.00 0.00 N ATOM 320 CZ ARG A 21 10.115 -0.970 -19.057 1.00 0.00 C ATOM 321 NH1 ARG A 21 10.611 -0.553 -20.213 1.00 0.00 N ATOM 322 NH2 ARG A 21 10.536 -0.424 -17.924 1.00 0.00 N ATOM 0 H ARG A 21 7.918 -7.087 -18.553 1.00 0.00 H new ATOM 0 HA ARG A 21 5.792 -5.200 -18.658 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.241 -4.686 -18.450 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.475 -5.245 -20.095 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.826 -3.473 -20.851 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.812 -2.862 -19.208 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.444 -3.243 -20.644 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.463 -1.833 -20.990 1.00 0.00 H new ATOM 0 HE ARG A 21 8.836 -2.228 -18.126 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.289 -0.970 -21.086 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.315 0.185 -20.229 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.156 -0.742 -17.033 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.240 0.314 -17.944 1.00 0.00 H new ATOM 336 N SER A 22 6.327 -7.042 -21.289 1.00 0.00 N ATOM 337 CA SER A 22 5.819 -7.397 -22.609 1.00 0.00 C ATOM 338 C SER A 22 4.372 -7.872 -22.525 1.00 0.00 C ATOM 339 O SER A 22 3.597 -7.711 -23.469 1.00 0.00 O ATOM 340 CB SER A 22 6.690 -8.486 -23.238 1.00 0.00 C ATOM 341 OG SER A 22 6.319 -8.722 -24.585 1.00 0.00 O ATOM 0 H SER A 22 7.006 -7.700 -20.907 1.00 0.00 H new ATOM 0 HA SER A 22 5.854 -6.506 -23.236 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.738 -8.189 -23.193 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.595 -9.408 -22.665 1.00 0.00 H new ATOM 0 HG SER A 22 6.892 -9.421 -24.964 1.00 0.00 H new ATOM 347 N HIS A 23 4.014 -8.459 -21.387 1.00 0.00 N ATOM 348 CA HIS A 23 2.659 -8.958 -21.178 1.00 0.00 C ATOM 349 C HIS A 23 1.827 -7.953 -20.387 1.00 0.00 C ATOM 350 O HIS A 23 0.718 -8.260 -19.949 1.00 0.00 O ATOM 351 CB HIS A 23 2.695 -10.298 -20.443 1.00 0.00 C ATOM 352 CG HIS A 23 3.277 -11.412 -21.258 1.00 0.00 C ATOM 353 ND1 HIS A 23 3.740 -12.587 -20.704 1.00 0.00 N ATOM 354 CD2 HIS A 23 3.469 -11.526 -22.593 1.00 0.00 C ATOM 355 CE1 HIS A 23 4.193 -13.375 -21.663 1.00 0.00 C ATOM 356 NE2 HIS A 23 4.039 -12.755 -22.819 1.00 0.00 N ATOM 0 H HIS A 23 4.643 -8.601 -20.596 1.00 0.00 H new ATOM 0 HA HIS A 23 2.195 -9.100 -22.154 1.00 0.00 H new ATOM 0 HB2 HIS A 23 3.277 -10.186 -19.528 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.682 -10.567 -20.145 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.220 -10.788 -23.341 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.617 -14.359 -21.525 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.301 -13.128 -23.731 1.00 0.00 H new ATOM 364 N ARG A 24 2.369 -6.753 -20.209 1.00 0.00 N ATOM 365 CA ARG A 24 1.676 -5.704 -19.470 1.00 0.00 C ATOM 366 C ARG A 24 1.288 -6.188 -18.076 1.00 0.00 C ATOM 367 O ARG A 24 0.253 -5.794 -17.538 1.00 0.00 O ATOM 368 CB ARG A 24 0.428 -5.253 -20.231 1.00 0.00 C ATOM 369 CG ARG A 24 0.676 -4.993 -21.708 1.00 0.00 C ATOM 370 CD ARG A 24 0.151 -6.130 -22.570 1.00 0.00 C ATOM 371 NE ARG A 24 -0.282 -5.666 -23.885 1.00 0.00 N ATOM 372 CZ ARG A 24 -0.858 -6.450 -24.788 1.00 0.00 C ATOM 373 NH1 ARG A 24 -1.069 -7.732 -24.520 1.00 0.00 N ATOM 374 NH2 ARG A 24 -1.224 -5.954 -25.963 1.00 0.00 N ATOM 0 H ARG A 24 3.285 -6.483 -20.566 1.00 0.00 H new ATOM 0 HA ARG A 24 2.355 -4.858 -19.367 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.344 -6.015 -20.130 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.041 -4.344 -19.771 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.193 -4.061 -22.000 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.745 -4.867 -21.882 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.930 -6.883 -22.690 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.684 -6.613 -22.063 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.134 -4.685 -24.123 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.788 -8.117 -23.618 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.512 -8.332 -25.216 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.063 -4.969 -26.173 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.666 -6.558 -26.656 1.00 0.00 H new ATOM 388 N ILE A 25 2.125 -7.042 -17.497 1.00 0.00 N ATOM 389 CA ILE A 25 1.869 -7.579 -16.166 1.00 0.00 C ATOM 390 C ILE A 25 1.596 -6.460 -15.166 1.00 0.00 C ATOM 391 O ILE A 25 2.155 -5.368 -15.270 1.00 0.00 O ATOM 392 CB ILE A 25 3.054 -8.424 -15.663 1.00 0.00 C ATOM 393 CG1 ILE A 25 3.286 -9.619 -16.589 1.00 0.00 C ATOM 394 CG2 ILE A 25 2.802 -8.893 -14.237 1.00 0.00 C ATOM 395 CD1 ILE A 25 2.182 -10.652 -16.532 1.00 0.00 C ATOM 0 H ILE A 25 2.986 -7.377 -17.929 1.00 0.00 H new ATOM 0 HA ILE A 25 0.988 -8.215 -16.246 1.00 0.00 H new ATOM 0 HB ILE A 25 3.951 -7.805 -15.668 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.384 -9.260 -17.614 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.231 -10.094 -16.326 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.648 -9.489 -13.895 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.681 -8.028 -13.585 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.896 -9.499 -14.208 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.414 -11.470 -17.214 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.098 -11.039 -15.516 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.238 -10.192 -16.825 1.00 0.00 H new ATOM 407 N LYS A 26 0.733 -6.740 -14.195 1.00 0.00 N ATOM 408 CA LYS A 26 0.386 -5.760 -13.173 1.00 0.00 C ATOM 409 C LYS A 26 1.352 -5.839 -11.994 1.00 0.00 C ATOM 410 O LYS A 26 2.352 -6.555 -12.044 1.00 0.00 O ATOM 411 CB LYS A 26 -1.047 -5.984 -12.687 1.00 0.00 C ATOM 412 CG LYS A 26 -1.988 -4.838 -13.017 1.00 0.00 C ATOM 413 CD LYS A 26 -3.391 -5.337 -13.318 1.00 0.00 C ATOM 414 CE LYS A 26 -4.346 -5.038 -12.172 1.00 0.00 C ATOM 415 NZ LYS A 26 -4.374 -6.140 -11.172 1.00 0.00 N ATOM 0 H LYS A 26 0.261 -7.639 -14.095 1.00 0.00 H new ATOM 0 HA LYS A 26 0.461 -4.767 -13.617 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.434 -6.900 -13.133 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.036 -6.135 -11.608 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.021 -4.141 -12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.605 -4.287 -13.876 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.758 -4.867 -14.231 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.365 -6.411 -13.501 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.047 -4.111 -11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.350 -4.881 -12.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.943 -5.849 -10.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.795 -6.988 -11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.404 -6.353 -10.863 1.00 0.00 H new ATOM 429 N THR A 27 1.045 -5.099 -10.933 1.00 0.00 N ATOM 430 CA THR A 27 1.884 -5.086 -9.742 1.00 0.00 C ATOM 431 C THR A 27 1.780 -6.402 -8.981 1.00 0.00 C ATOM 432 O THR A 27 1.095 -7.329 -9.414 1.00 0.00 O ATOM 433 CB THR A 27 1.503 -3.929 -8.799 1.00 0.00 C ATOM 434 OG1 THR A 27 0.098 -3.960 -8.528 1.00 0.00 O ATOM 435 CG2 THR A 27 1.877 -2.587 -9.410 1.00 0.00 C ATOM 0 H THR A 27 0.221 -4.501 -10.875 1.00 0.00 H new ATOM 0 HA THR A 27 2.911 -4.946 -10.081 1.00 0.00 H new ATOM 0 HB THR A 27 2.055 -4.053 -7.867 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.135 -3.222 -7.927 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.598 -1.785 -8.726 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.952 -2.555 -9.588 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.349 -2.458 -10.355 1.00 0.00 H new ATOM 443 N VAL A 28 2.463 -6.478 -7.843 1.00 0.00 N ATOM 444 CA VAL A 28 2.445 -7.681 -7.020 1.00 0.00 C ATOM 445 C VAL A 28 1.023 -8.195 -6.827 1.00 0.00 C ATOM 446 O VAL A 28 0.802 -9.394 -6.657 1.00 0.00 O ATOM 447 CB VAL A 28 3.079 -7.426 -5.639 1.00 0.00 C ATOM 448 CG1 VAL A 28 3.041 -8.689 -4.792 1.00 0.00 C ATOM 449 CG2 VAL A 28 4.505 -6.919 -5.793 1.00 0.00 C ATOM 0 H VAL A 28 3.036 -5.721 -7.470 1.00 0.00 H new ATOM 0 HA VAL A 28 3.031 -8.433 -7.548 1.00 0.00 H new ATOM 0 HB VAL A 28 2.498 -6.658 -5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.493 -8.489 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.006 -9.003 -4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.596 -9.481 -5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.937 -6.744 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.100 -7.662 -6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.501 -5.987 -6.358 1.00 0.00 H new ATOM 459 N VAL A 29 0.060 -7.279 -6.856 1.00 0.00 N ATOM 460 CA VAL A 29 -1.343 -7.639 -6.687 1.00 0.00 C ATOM 461 C VAL A 29 -1.766 -8.695 -7.702 1.00 0.00 C ATOM 462 O VAL A 29 -2.467 -9.649 -7.365 1.00 0.00 O ATOM 463 CB VAL A 29 -2.259 -6.409 -6.829 1.00 0.00 C ATOM 464 CG1 VAL A 29 -2.087 -5.771 -8.199 1.00 0.00 C ATOM 465 CG2 VAL A 29 -3.711 -6.797 -6.591 1.00 0.00 C ATOM 0 H VAL A 29 0.226 -6.282 -6.995 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.447 -8.045 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.974 -5.676 -6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.742 -4.904 -8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.051 -5.457 -8.327 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.345 -6.495 -8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.345 -5.916 -6.695 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.011 -7.548 -7.321 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.819 -7.205 -5.586 1.00 0.00 H new ATOM 475 N ASP A 30 -1.334 -8.518 -8.946 1.00 0.00 N ATOM 476 CA ASP A 30 -1.667 -9.457 -10.011 1.00 0.00 C ATOM 477 C ASP A 30 -0.884 -10.757 -9.854 1.00 0.00 C ATOM 478 O ASP A 30 -1.378 -11.835 -10.186 1.00 0.00 O ATOM 479 CB ASP A 30 -1.376 -8.834 -11.377 1.00 0.00 C ATOM 480 CG ASP A 30 -1.430 -9.851 -12.500 1.00 0.00 C ATOM 481 OD1 ASP A 30 -0.386 -10.473 -12.787 1.00 0.00 O ATOM 482 OD2 ASP A 30 -2.516 -10.025 -13.093 1.00 0.00 O ATOM 0 H ASP A 30 -0.753 -7.734 -9.241 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.731 -9.684 -9.942 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.098 -8.042 -11.573 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.390 -8.369 -11.359 1.00 0.00 H new ATOM 487 N LEU A 31 0.339 -10.647 -9.346 1.00 0.00 N ATOM 488 CA LEU A 31 1.191 -11.814 -9.146 1.00 0.00 C ATOM 489 C LEU A 31 0.467 -12.884 -8.335 1.00 0.00 C ATOM 490 O LEU A 31 0.407 -14.047 -8.736 1.00 0.00 O ATOM 491 CB LEU A 31 2.485 -11.409 -8.437 1.00 0.00 C ATOM 492 CG LEU A 31 3.700 -12.299 -8.699 1.00 0.00 C ATOM 493 CD1 LEU A 31 3.452 -13.707 -8.181 1.00 0.00 C ATOM 494 CD2 LEU A 31 4.032 -12.325 -10.184 1.00 0.00 C ATOM 0 H LEU A 31 0.762 -9.762 -9.065 1.00 0.00 H new ATOM 0 HA LEU A 31 1.434 -12.228 -10.124 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.735 -10.390 -8.734 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.297 -11.391 -7.363 1.00 0.00 H new ATOM 0 HG LEU A 31 4.554 -11.883 -8.164 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.328 -14.326 -8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.264 -13.672 -7.108 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.586 -14.134 -8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.899 -12.963 -10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.180 -12.716 -10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.254 -11.314 -10.525 1.00 0.00 H new ATOM 506 N VAL A 32 -0.083 -12.484 -7.193 1.00 0.00 N ATOM 507 CA VAL A 32 -0.806 -13.407 -6.327 1.00 0.00 C ATOM 508 C VAL A 32 -1.961 -14.068 -7.072 1.00 0.00 C ATOM 509 O VAL A 32 -2.429 -15.139 -6.686 1.00 0.00 O ATOM 510 CB VAL A 32 -1.356 -12.693 -5.079 1.00 0.00 C ATOM 511 CG1 VAL A 32 -0.266 -11.869 -4.411 1.00 0.00 C ATOM 512 CG2 VAL A 32 -2.546 -11.819 -5.447 1.00 0.00 C ATOM 0 H VAL A 32 -0.041 -11.526 -6.846 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.094 -14.171 -6.014 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.694 -13.448 -4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.674 -11.372 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.553 -12.523 -4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.105 -11.121 -5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.922 -11.322 -4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.236 -11.070 -6.176 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.333 -12.438 -5.876 1.00 0.00 H new ATOM 522 N SER A 33 -2.416 -13.422 -8.141 1.00 0.00 N ATOM 523 CA SER A 33 -3.519 -13.946 -8.938 1.00 0.00 C ATOM 524 C SER A 33 -3.001 -14.625 -10.202 1.00 0.00 C ATOM 525 O SER A 33 -3.770 -15.206 -10.967 1.00 0.00 O ATOM 526 CB SER A 33 -4.486 -12.820 -9.310 1.00 0.00 C ATOM 527 OG SER A 33 -5.562 -13.310 -10.091 1.00 0.00 O ATOM 0 H SER A 33 -2.038 -12.535 -8.475 1.00 0.00 H new ATOM 0 HA SER A 33 -4.048 -14.687 -8.339 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.873 -12.354 -8.404 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.953 -12.047 -9.863 1.00 0.00 H new ATOM 0 HG SER A 33 -5.263 -14.087 -10.609 1.00 0.00 H new ATOM 533 N ALA A 34 -1.691 -14.546 -10.415 1.00 0.00 N ATOM 534 CA ALA A 34 -1.069 -15.154 -11.584 1.00 0.00 C ATOM 535 C ALA A 34 -0.670 -16.599 -11.305 1.00 0.00 C ATOM 536 O ALA A 34 0.036 -17.222 -12.098 1.00 0.00 O ATOM 537 CB ALA A 34 0.144 -14.344 -12.017 1.00 0.00 C ATOM 0 H ALA A 34 -1.040 -14.067 -9.793 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.799 -15.156 -12.393 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.599 -14.809 -12.891 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.166 -13.329 -12.266 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.869 -14.312 -11.204 1.00 0.00 H new ATOM 543 N ASP A 35 -1.127 -17.126 -10.174 1.00 0.00 N ATOM 544 CA ASP A 35 -0.818 -18.499 -9.791 1.00 0.00 C ATOM 545 C ASP A 35 0.686 -18.750 -9.835 1.00 0.00 C ATOM 546 O ASP A 35 1.169 -19.553 -10.634 1.00 0.00 O ATOM 547 CB ASP A 35 -1.539 -19.483 -10.713 1.00 0.00 C ATOM 548 CG ASP A 35 -2.918 -18.996 -11.114 1.00 0.00 C ATOM 549 OD1 ASP A 35 -3.801 -18.926 -10.234 1.00 0.00 O ATOM 550 OD2 ASP A 35 -3.114 -18.687 -12.308 1.00 0.00 O ATOM 0 H ASP A 35 -1.712 -16.623 -9.507 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.164 -18.651 -8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.939 -19.644 -11.609 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.629 -20.447 -10.212 1.00 0.00 H new ATOM 555 N LEU A 36 1.421 -18.058 -8.972 1.00 0.00 N ATOM 556 CA LEU A 36 2.872 -18.204 -8.912 1.00 0.00 C ATOM 557 C LEU A 36 3.259 -19.620 -8.497 1.00 0.00 C ATOM 558 O LEU A 36 4.313 -20.123 -8.884 1.00 0.00 O ATOM 559 CB LEU A 36 3.467 -17.192 -7.932 1.00 0.00 C ATOM 560 CG LEU A 36 4.886 -16.713 -8.240 1.00 0.00 C ATOM 561 CD1 LEU A 36 5.879 -17.855 -8.088 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.957 -16.124 -9.641 1.00 0.00 C ATOM 0 H LEU A 36 1.037 -17.390 -8.304 1.00 0.00 H new ATOM 0 HA LEU A 36 3.273 -18.014 -9.907 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.811 -16.322 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.463 -17.635 -6.936 1.00 0.00 H new ATOM 0 HG LEU A 36 5.149 -15.933 -7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.884 -17.496 -8.311 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.847 -18.231 -7.066 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.619 -18.657 -8.778 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.974 -15.788 -9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.674 -16.883 -10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.274 -15.278 -9.715 1.00 0.00 H new ATOM 574 N GLU A 37 2.398 -20.257 -7.710 1.00 0.00 N ATOM 575 CA GLU A 37 2.650 -21.616 -7.245 1.00 0.00 C ATOM 576 C GLU A 37 2.781 -22.579 -8.422 1.00 0.00 C ATOM 577 O GLU A 37 3.689 -23.409 -8.459 1.00 0.00 O ATOM 578 CB GLU A 37 1.525 -22.078 -6.316 1.00 0.00 C ATOM 579 CG GLU A 37 0.141 -21.966 -6.935 1.00 0.00 C ATOM 580 CD GLU A 37 -0.961 -21.922 -5.894 1.00 0.00 C ATOM 581 OE1 GLU A 37 -1.449 -23.002 -5.502 1.00 0.00 O ATOM 582 OE2 GLU A 37 -1.334 -20.807 -5.472 1.00 0.00 O ATOM 0 H GLU A 37 1.520 -19.854 -7.381 1.00 0.00 H new ATOM 0 HA GLU A 37 3.590 -21.615 -6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.703 -23.115 -6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.554 -21.486 -5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.093 -21.066 -7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.026 -22.814 -7.600 1.00 0.00 H new ATOM 589 N GLU A 38 1.867 -22.460 -9.380 1.00 0.00 N ATOM 590 CA GLU A 38 1.880 -23.321 -10.557 1.00 0.00 C ATOM 591 C GLU A 38 2.980 -22.899 -11.527 1.00 0.00 C ATOM 592 O GLU A 38 3.758 -23.728 -11.999 1.00 0.00 O ATOM 593 CB GLU A 38 0.522 -23.281 -11.260 1.00 0.00 C ATOM 594 CG GLU A 38 -0.531 -24.156 -10.600 1.00 0.00 C ATOM 595 CD GLU A 38 -0.256 -25.636 -10.781 1.00 0.00 C ATOM 596 OE1 GLU A 38 0.661 -25.978 -11.557 1.00 0.00 O ATOM 597 OE2 GLU A 38 -0.958 -26.452 -10.148 1.00 0.00 O ATOM 0 H GLU A 38 1.110 -21.777 -9.364 1.00 0.00 H new ATOM 0 HA GLU A 38 2.081 -24.341 -10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.164 -22.252 -11.283 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.649 -23.598 -12.295 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.574 -23.926 -9.535 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.509 -23.918 -11.018 1.00 0.00 H new ATOM 604 N VAL A 39 3.038 -21.604 -11.821 1.00 0.00 N ATOM 605 CA VAL A 39 4.041 -21.071 -12.734 1.00 0.00 C ATOM 606 C VAL A 39 5.451 -21.396 -12.252 1.00 0.00 C ATOM 607 O VAL A 39 6.327 -21.734 -13.046 1.00 0.00 O ATOM 608 CB VAL A 39 3.903 -19.545 -12.891 1.00 0.00 C ATOM 609 CG1 VAL A 39 4.950 -19.011 -13.857 1.00 0.00 C ATOM 610 CG2 VAL A 39 2.501 -19.183 -13.357 1.00 0.00 C ATOM 0 H VAL A 39 2.401 -20.904 -11.439 1.00 0.00 H new ATOM 0 HA VAL A 39 3.872 -21.545 -13.701 1.00 0.00 H new ATOM 0 HB VAL A 39 4.070 -19.080 -11.919 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.837 -17.931 -13.955 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.946 -19.239 -13.477 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.818 -19.480 -14.832 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.421 -18.101 -13.463 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.303 -19.657 -14.318 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.773 -19.531 -12.624 1.00 0.00 H new ATOM 620 N ALA A 40 5.661 -21.292 -10.943 1.00 0.00 N ATOM 621 CA ALA A 40 6.964 -21.577 -10.354 1.00 0.00 C ATOM 622 C ALA A 40 7.437 -22.979 -10.721 1.00 0.00 C ATOM 623 O ALA A 40 8.630 -23.210 -10.915 1.00 0.00 O ATOM 624 CB ALA A 40 6.906 -21.416 -8.842 1.00 0.00 C ATOM 0 H ALA A 40 4.946 -21.013 -10.271 1.00 0.00 H new ATOM 0 HA ALA A 40 7.682 -20.863 -10.757 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.886 -21.632 -8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.620 -20.393 -8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.171 -22.107 -8.430 1.00 0.00 H new ATOM 630 N GLN A 41 6.494 -23.912 -10.813 1.00 0.00 N ATOM 631 CA GLN A 41 6.817 -25.292 -11.155 1.00 0.00 C ATOM 632 C GLN A 41 7.358 -25.388 -12.578 1.00 0.00 C ATOM 633 O GLN A 41 8.372 -26.041 -12.825 1.00 0.00 O ATOM 634 CB GLN A 41 5.579 -26.179 -11.006 1.00 0.00 C ATOM 635 CG GLN A 41 5.658 -27.140 -9.831 1.00 0.00 C ATOM 636 CD GLN A 41 6.924 -27.973 -9.841 1.00 0.00 C ATOM 637 OE1 GLN A 41 7.773 -27.843 -8.959 1.00 0.00 O ATOM 638 NE2 GLN A 41 7.059 -28.835 -10.843 1.00 0.00 N ATOM 0 H GLN A 41 5.501 -23.737 -10.656 1.00 0.00 H new ATOM 0 HA GLN A 41 7.589 -25.639 -10.468 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.700 -25.545 -10.888 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.439 -26.751 -11.924 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.607 -26.575 -8.900 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.792 -27.802 -9.849 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.330 -28.910 -11.553 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.891 -29.422 -10.902 1.00 0.00 H new ATOM 647 N LYS A 42 6.674 -24.735 -13.511 1.00 0.00 N ATOM 648 CA LYS A 42 7.085 -24.745 -14.909 1.00 0.00 C ATOM 649 C LYS A 42 8.376 -23.956 -15.103 1.00 0.00 C ATOM 650 O LYS A 42 9.302 -24.416 -15.772 1.00 0.00 O ATOM 651 CB LYS A 42 5.980 -24.160 -15.792 1.00 0.00 C ATOM 652 CG LYS A 42 4.612 -24.766 -15.535 1.00 0.00 C ATOM 653 CD LYS A 42 3.596 -24.307 -16.568 1.00 0.00 C ATOM 654 CE LYS A 42 3.816 -24.990 -17.909 1.00 0.00 C ATOM 655 NZ LYS A 42 3.077 -26.279 -18.002 1.00 0.00 N ATOM 0 H LYS A 42 5.831 -24.192 -13.324 1.00 0.00 H new ATOM 0 HA LYS A 42 7.265 -25.780 -15.201 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.928 -23.084 -15.629 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.244 -24.311 -16.839 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.685 -25.853 -15.554 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.271 -24.487 -14.538 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.589 -24.522 -16.210 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.666 -23.226 -16.693 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.493 -24.327 -18.712 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.881 -25.171 -18.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.253 -26.714 -18.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.403 -26.921 -17.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.058 -26.104 -17.889 1.00 0.00 H new ATOM 669 N CYS A 43 8.432 -22.767 -14.512 1.00 0.00 N ATOM 670 CA CYS A 43 9.610 -21.915 -14.619 1.00 0.00 C ATOM 671 C CYS A 43 10.792 -22.523 -13.870 1.00 0.00 C ATOM 672 O CYS A 43 11.948 -22.223 -14.165 1.00 0.00 O ATOM 673 CB CYS A 43 9.307 -20.520 -14.070 1.00 0.00 C ATOM 674 SG CYS A 43 8.693 -19.356 -15.310 1.00 0.00 S ATOM 0 H CYS A 43 7.675 -22.372 -13.954 1.00 0.00 H new ATOM 0 HA CYS A 43 9.874 -21.834 -15.673 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.569 -20.607 -13.273 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.213 -20.113 -13.622 1.00 0.00 H new ATOM 0 HG CYS A 43 8.464 -18.206 -14.749 1.00 0.00 H new ATOM 680 N GLY A 44 10.492 -23.380 -12.898 1.00 0.00 N ATOM 681 CA GLY A 44 11.539 -24.016 -12.121 1.00 0.00 C ATOM 682 C GLY A 44 12.001 -23.159 -10.959 1.00 0.00 C ATOM 683 O GLY A 44 13.105 -23.340 -10.444 1.00 0.00 O ATOM 0 H GLY A 44 9.543 -23.645 -12.635 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.176 -24.972 -11.742 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.388 -24.232 -12.769 1.00 0.00 H new ATOM 687 N LEU A 45 11.156 -22.221 -10.545 1.00 0.00 N ATOM 688 CA LEU A 45 11.484 -21.331 -9.437 1.00 0.00 C ATOM 689 C LEU A 45 11.006 -21.914 -8.111 1.00 0.00 C ATOM 690 O LEU A 45 10.324 -22.938 -8.081 1.00 0.00 O ATOM 691 CB LEU A 45 10.853 -19.955 -9.659 1.00 0.00 C ATOM 692 CG LEU A 45 11.112 -19.310 -11.021 1.00 0.00 C ATOM 693 CD1 LEU A 45 9.961 -18.393 -11.405 1.00 0.00 C ATOM 694 CD2 LEU A 45 12.426 -18.543 -11.008 1.00 0.00 C ATOM 0 H LEU A 45 10.239 -22.057 -10.960 1.00 0.00 H new ATOM 0 HA LEU A 45 12.568 -21.225 -9.397 1.00 0.00 H new ATOM 0 HB2 LEU A 45 9.776 -20.045 -9.521 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.218 -19.281 -8.885 1.00 0.00 H new ATOM 0 HG LEU A 45 11.184 -20.101 -11.768 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.163 -17.943 -12.377 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.038 -18.970 -11.457 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.856 -17.608 -10.656 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.593 -18.091 -11.986 1.00 0.00 H new ATOM 0 HD22 LEU A 45 12.384 -17.761 -10.249 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.244 -19.226 -10.780 1.00 0.00 H new ATOM 706 N SER A 46 11.368 -21.253 -7.016 1.00 0.00 N ATOM 707 CA SER A 46 10.978 -21.706 -5.686 1.00 0.00 C ATOM 708 C SER A 46 9.740 -20.960 -5.199 1.00 0.00 C ATOM 709 O SER A 46 9.809 -19.782 -4.848 1.00 0.00 O ATOM 710 CB SER A 46 12.129 -21.506 -4.698 1.00 0.00 C ATOM 711 OG SER A 46 13.298 -22.178 -5.134 1.00 0.00 O ATOM 0 H SER A 46 11.931 -20.402 -7.024 1.00 0.00 H new ATOM 0 HA SER A 46 10.741 -22.768 -5.746 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.337 -20.442 -4.588 1.00 0.00 H new ATOM 0 HB3 SER A 46 11.838 -21.877 -3.715 1.00 0.00 H new ATOM 0 HG SER A 46 14.019 -22.033 -4.487 1.00 0.00 H new ATOM 717 N TYR A 47 8.607 -21.655 -5.182 1.00 0.00 N ATOM 718 CA TYR A 47 7.352 -21.059 -4.741 1.00 0.00 C ATOM 719 C TYR A 47 7.432 -20.642 -3.275 1.00 0.00 C ATOM 720 O TYR A 47 6.724 -19.735 -2.836 1.00 0.00 O ATOM 721 CB TYR A 47 6.198 -22.043 -4.941 1.00 0.00 C ATOM 722 CG TYR A 47 4.905 -21.599 -4.295 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.365 -20.347 -4.566 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.224 -22.430 -3.414 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.184 -19.937 -3.978 1.00 0.00 C ATOM 726 CE2 TYR A 47 3.041 -22.028 -2.823 1.00 0.00 C ATOM 727 CZ TYR A 47 2.526 -20.781 -3.108 1.00 0.00 C ATOM 728 OH TYR A 47 1.349 -20.377 -2.520 1.00 0.00 O ATOM 0 H TYR A 47 8.533 -22.631 -5.469 1.00 0.00 H new ATOM 0 HA TYR A 47 7.170 -20.169 -5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.032 -22.183 -6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.484 -23.013 -4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.877 -19.684 -5.247 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.626 -23.406 -3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.778 -18.961 -4.198 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.523 -22.687 -2.142 1.00 0.00 H new ATOM 0 HH TYR A 47 1.014 -21.089 -1.936 1.00 0.00 H new ATOM 738 N LYS A 48 8.299 -21.310 -2.523 1.00 0.00 N ATOM 739 CA LYS A 48 8.475 -21.010 -1.107 1.00 0.00 C ATOM 740 C LYS A 48 8.841 -19.544 -0.903 1.00 0.00 C ATOM 741 O LYS A 48 8.405 -18.914 0.060 1.00 0.00 O ATOM 742 CB LYS A 48 9.561 -21.906 -0.507 1.00 0.00 C ATOM 743 CG LYS A 48 9.281 -23.390 -0.663 1.00 0.00 C ATOM 744 CD LYS A 48 10.517 -24.225 -0.370 1.00 0.00 C ATOM 745 CE LYS A 48 11.429 -24.317 -1.584 1.00 0.00 C ATOM 746 NZ LYS A 48 12.847 -24.551 -1.196 1.00 0.00 N ATOM 0 H LYS A 48 8.892 -22.064 -2.871 1.00 0.00 H new ATOM 0 HA LYS A 48 7.530 -21.204 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.515 -21.673 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.667 -21.674 0.553 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.476 -23.682 0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.937 -23.592 -1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.064 -23.787 0.465 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.216 -25.227 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.091 -25.126 -2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.358 -23.396 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.436 -24.608 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.178 -23.766 -0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.919 -25.443 -0.666 1.00 0.00 H new ATOM 760 N ALA A 49 9.642 -19.005 -1.817 1.00 0.00 N ATOM 761 CA ALA A 49 10.062 -17.612 -1.738 1.00 0.00 C ATOM 762 C ALA A 49 8.874 -16.670 -1.897 1.00 0.00 C ATOM 763 O ALA A 49 8.860 -15.571 -1.341 1.00 0.00 O ATOM 764 CB ALA A 49 11.116 -17.318 -2.796 1.00 0.00 C ATOM 0 H ALA A 49 10.013 -19.512 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 49 10.495 -17.445 -0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 49 11.421 -16.274 -2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.982 -17.960 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.701 -17.509 -3.786 1.00 0.00 H new ATOM 770 N LEU A 50 7.877 -17.106 -2.660 1.00 0.00 N ATOM 771 CA LEU A 50 6.683 -16.301 -2.893 1.00 0.00 C ATOM 772 C LEU A 50 5.791 -16.279 -1.655 1.00 0.00 C ATOM 773 O LEU A 50 5.414 -15.214 -1.168 1.00 0.00 O ATOM 774 CB LEU A 50 5.902 -16.847 -4.089 1.00 0.00 C ATOM 775 CG LEU A 50 5.025 -15.839 -4.834 1.00 0.00 C ATOM 776 CD1 LEU A 50 3.924 -15.315 -3.926 1.00 0.00 C ATOM 777 CD2 LEU A 50 5.869 -14.692 -5.370 1.00 0.00 C ATOM 0 H LEU A 50 7.872 -18.012 -3.128 1.00 0.00 H new ATOM 0 HA LEU A 50 6.999 -15.280 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.612 -17.274 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.268 -17.663 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 50 4.559 -16.346 -5.679 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.311 -14.599 -4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.302 -16.145 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.369 -14.824 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.229 -13.985 -5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.364 -14.186 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.620 -15.083 -6.057 1.00 0.00 H new ATOM 789 N VAL A 51 5.459 -17.463 -1.151 1.00 0.00 N ATOM 790 CA VAL A 51 4.615 -17.581 0.032 1.00 0.00 C ATOM 791 C VAL A 51 5.237 -16.864 1.225 1.00 0.00 C ATOM 792 O VAL A 51 4.535 -16.251 2.029 1.00 0.00 O ATOM 793 CB VAL A 51 4.371 -19.055 0.404 1.00 0.00 C ATOM 794 CG1 VAL A 51 5.692 -19.789 0.572 1.00 0.00 C ATOM 795 CG2 VAL A 51 3.532 -19.154 1.669 1.00 0.00 C ATOM 0 H VAL A 51 5.762 -18.354 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 51 3.661 -17.113 -0.213 1.00 0.00 H new ATOM 0 HB VAL A 51 3.820 -19.530 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.499 -20.829 0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.252 -19.748 -0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.273 -19.316 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.370 -20.203 1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.054 -18.664 2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.571 -18.666 1.507 1.00 0.00 H new ATOM 805 N ALA A 52 6.559 -16.945 1.333 1.00 0.00 N ATOM 806 CA ALA A 52 7.277 -16.301 2.427 1.00 0.00 C ATOM 807 C ALA A 52 6.996 -14.803 2.461 1.00 0.00 C ATOM 808 O ALA A 52 6.757 -14.230 3.525 1.00 0.00 O ATOM 809 CB ALA A 52 8.771 -16.557 2.300 1.00 0.00 C ATOM 0 H ALA A 52 7.155 -17.450 0.677 1.00 0.00 H new ATOM 0 HA ALA A 52 6.924 -16.732 3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.295 -16.071 3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.960 -17.630 2.333 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.130 -16.154 1.353 1.00 0.00 H new ATOM 815 N LEU A 53 7.027 -14.173 1.292 1.00 0.00 N ATOM 816 CA LEU A 53 6.777 -12.740 1.189 1.00 0.00 C ATOM 817 C LEU A 53 5.311 -12.422 1.468 1.00 0.00 C ATOM 818 O LEU A 53 4.998 -11.478 2.194 1.00 0.00 O ATOM 819 CB LEU A 53 7.164 -12.233 -0.202 1.00 0.00 C ATOM 820 CG LEU A 53 8.663 -12.140 -0.489 1.00 0.00 C ATOM 821 CD1 LEU A 53 8.927 -12.233 -1.983 1.00 0.00 C ATOM 822 CD2 LEU A 53 9.235 -10.848 0.076 1.00 0.00 C ATOM 0 H LEU A 53 7.223 -14.632 0.402 1.00 0.00 H new ATOM 0 HA LEU A 53 7.389 -12.235 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.712 -12.890 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.726 -11.245 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 53 9.160 -12.978 -0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.999 -12.165 -2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.553 -13.185 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.418 -11.416 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.303 -10.799 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.733 -9.996 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.079 -10.822 1.154 1.00 0.00 H new ATOM 834 N ARG A 54 4.418 -13.217 0.889 1.00 0.00 N ATOM 835 CA ARG A 54 2.985 -13.021 1.076 1.00 0.00 C ATOM 836 C ARG A 54 2.615 -13.097 2.555 1.00 0.00 C ATOM 837 O ARG A 54 1.866 -12.261 3.061 1.00 0.00 O ATOM 838 CB ARG A 54 2.198 -14.069 0.288 1.00 0.00 C ATOM 839 CG ARG A 54 1.615 -13.541 -1.013 1.00 0.00 C ATOM 840 CD ARG A 54 1.170 -14.674 -1.924 1.00 0.00 C ATOM 841 NE ARG A 54 -0.274 -14.668 -2.140 1.00 0.00 N ATOM 842 CZ ARG A 54 -1.148 -15.179 -1.280 1.00 0.00 C ATOM 843 NH1 ARG A 54 -0.727 -15.733 -0.152 1.00 0.00 N ATOM 844 NH2 ARG A 54 -2.447 -15.136 -1.548 1.00 0.00 N ATOM 0 H ARG A 54 4.661 -14.003 0.286 1.00 0.00 H new ATOM 0 HA ARG A 54 2.728 -12.029 0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.852 -14.912 0.067 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.388 -14.448 0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.766 -12.892 -0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.359 -12.931 -1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.680 -14.589 -2.883 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.467 -15.628 -1.488 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.631 -14.248 -2.998 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.271 -15.768 0.058 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.401 -16.124 0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.775 -14.710 -2.415 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.117 -15.529 -0.887 1.00 0.00 H new ATOM 858 N ARG A 55 3.145 -14.104 3.241 1.00 0.00 N ATOM 859 CA ARG A 55 2.869 -14.290 4.661 1.00 0.00 C ATOM 860 C ARG A 55 3.302 -13.067 5.464 1.00 0.00 C ATOM 861 O ARG A 55 2.625 -12.659 6.408 1.00 0.00 O ATOM 862 CB ARG A 55 3.586 -15.536 5.182 1.00 0.00 C ATOM 863 CG ARG A 55 3.123 -15.972 6.563 1.00 0.00 C ATOM 864 CD ARG A 55 3.509 -17.415 6.850 1.00 0.00 C ATOM 865 NE ARG A 55 4.957 -17.599 6.881 1.00 0.00 N ATOM 866 CZ ARG A 55 5.549 -18.787 6.834 1.00 0.00 C ATOM 867 NH1 ARG A 55 4.819 -19.891 6.754 1.00 0.00 N ATOM 868 NH2 ARG A 55 6.872 -18.872 6.867 1.00 0.00 N ATOM 0 H ARG A 55 3.768 -14.804 2.837 1.00 0.00 H new ATOM 0 HA ARG A 55 1.794 -14.420 4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.430 -16.355 4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.658 -15.342 5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.562 -15.320 7.318 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.041 -15.862 6.637 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.084 -17.720 7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.077 -18.064 6.088 1.00 0.00 H new ATOM 0 HE ARG A 55 5.547 -16.769 6.942 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.801 -19.829 6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.275 -20.803 6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.436 -18.024 6.929 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.325 -19.785 6.831 1.00 0.00 H new ATOM 882 N VAL A 56 4.435 -12.486 5.082 1.00 0.00 N ATOM 883 CA VAL A 56 4.959 -11.310 5.766 1.00 0.00 C ATOM 884 C VAL A 56 4.077 -10.091 5.516 1.00 0.00 C ATOM 885 O VAL A 56 3.848 -9.282 6.417 1.00 0.00 O ATOM 886 CB VAL A 56 6.396 -10.991 5.314 1.00 0.00 C ATOM 887 CG1 VAL A 56 6.921 -9.757 6.031 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.307 -12.186 5.554 1.00 0.00 C ATOM 0 H VAL A 56 5.007 -12.811 4.303 1.00 0.00 H new ATOM 0 HA VAL A 56 4.964 -11.540 6.832 1.00 0.00 H new ATOM 0 HB VAL A 56 6.384 -10.781 4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.938 -9.548 5.698 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.282 -8.904 5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.920 -9.933 7.107 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.319 -11.943 5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.316 -12.429 6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.940 -13.043 4.989 1.00 0.00 H new ATOM 898 N LEU A 57 3.585 -9.965 4.289 1.00 0.00 N ATOM 899 CA LEU A 57 2.727 -8.845 3.920 1.00 0.00 C ATOM 900 C LEU A 57 1.414 -8.887 4.694 1.00 0.00 C ATOM 901 O LEU A 57 0.973 -7.878 5.246 1.00 0.00 O ATOM 902 CB LEU A 57 2.447 -8.865 2.416 1.00 0.00 C ATOM 903 CG LEU A 57 3.336 -7.966 1.556 1.00 0.00 C ATOM 904 CD1 LEU A 57 4.752 -8.517 1.493 1.00 0.00 C ATOM 905 CD2 LEU A 57 2.755 -7.824 0.156 1.00 0.00 C ATOM 0 H LEU A 57 3.766 -10.625 3.532 1.00 0.00 H new ATOM 0 HA LEU A 57 3.248 -7.922 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.550 -9.890 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.408 -8.575 2.256 1.00 0.00 H new ATOM 0 HG LEU A 57 3.373 -6.978 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.370 -7.864 0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.168 -8.567 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.735 -9.516 1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.400 -7.181 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.688 -8.806 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.760 -7.383 0.218 1.00 0.00 H new ATOM 917 N LEU A 58 0.793 -10.061 4.732 1.00 0.00 N ATOM 918 CA LEU A 58 -0.470 -10.236 5.441 1.00 0.00 C ATOM 919 C LEU A 58 -0.256 -10.201 6.951 1.00 0.00 C ATOM 920 O LEU A 58 -1.112 -9.727 7.698 1.00 0.00 O ATOM 921 CB LEU A 58 -1.125 -11.558 5.038 1.00 0.00 C ATOM 922 CG LEU A 58 -0.271 -12.813 5.219 1.00 0.00 C ATOM 923 CD1 LEU A 58 -0.408 -13.352 6.634 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.661 -13.875 4.202 1.00 0.00 C ATOM 0 H LEU A 58 1.143 -10.906 4.280 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.129 -9.413 5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.040 -11.679 5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.418 -11.490 3.990 1.00 0.00 H new ATOM 0 HG LEU A 58 0.773 -12.546 5.053 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.207 -14.245 6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.079 -12.595 7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.451 -13.603 6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.043 -14.761 4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.710 -14.139 4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.510 -13.487 3.195 1.00 0.00 H new ATOM 936 N ALA A 59 0.892 -10.704 7.393 1.00 0.00 N ATOM 937 CA ALA A 59 1.220 -10.727 8.813 1.00 0.00 C ATOM 938 C ALA A 59 1.200 -9.321 9.403 1.00 0.00 C ATOM 939 O ALA A 59 0.581 -9.082 10.440 1.00 0.00 O ATOM 940 CB ALA A 59 2.579 -11.374 9.030 1.00 0.00 C ATOM 0 H ALA A 59 1.611 -11.101 6.788 1.00 0.00 H new ATOM 0 HA ALA A 59 0.463 -11.319 9.327 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.811 -11.384 10.095 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.560 -12.396 8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.342 -10.805 8.498 1.00 0.00 H new ATOM 946 N GLN A 60 1.883 -8.395 8.737 1.00 0.00 N ATOM 947 CA GLN A 60 1.944 -7.013 9.198 1.00 0.00 C ATOM 948 C GLN A 60 0.611 -6.306 8.979 1.00 0.00 C ATOM 949 O GLN A 60 0.218 -5.442 9.763 1.00 0.00 O ATOM 950 CB GLN A 60 3.059 -6.260 8.470 1.00 0.00 C ATOM 951 CG GLN A 60 2.885 -6.224 6.960 1.00 0.00 C ATOM 952 CD GLN A 60 4.098 -5.661 6.246 1.00 0.00 C ATOM 953 OE1 GLN A 60 4.581 -6.238 5.271 1.00 0.00 O ATOM 954 NE2 GLN A 60 4.596 -4.529 6.728 1.00 0.00 N ATOM 0 H GLN A 60 2.401 -8.577 7.877 1.00 0.00 H new ATOM 0 HA GLN A 60 2.158 -7.022 10.267 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.102 -5.238 8.847 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.015 -6.727 8.706 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.690 -7.233 6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.011 -5.622 6.713 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.163 -4.086 7.538 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.411 -4.102 6.288 1.00 0.00 H new ATOM 963 N PHE A 61 -0.082 -6.679 7.908 1.00 0.00 N ATOM 964 CA PHE A 61 -1.372 -6.079 7.585 1.00 0.00 C ATOM 965 C PHE A 61 -2.409 -6.412 8.654 1.00 0.00 C ATOM 966 O PHE A 61 -3.254 -5.584 8.992 1.00 0.00 O ATOM 967 CB PHE A 61 -1.857 -6.568 6.218 1.00 0.00 C ATOM 968 CG PHE A 61 -1.622 -5.580 5.111 1.00 0.00 C ATOM 969 CD1 PHE A 61 -0.343 -5.129 4.827 1.00 0.00 C ATOM 970 CD2 PHE A 61 -2.680 -5.104 4.353 1.00 0.00 C ATOM 971 CE1 PHE A 61 -0.125 -4.220 3.810 1.00 0.00 C ATOM 972 CE2 PHE A 61 -2.467 -4.196 3.334 1.00 0.00 C ATOM 973 CZ PHE A 61 -1.188 -3.754 3.061 1.00 0.00 C ATOM 0 H PHE A 61 0.228 -7.394 7.249 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.244 -4.997 7.552 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.351 -7.502 5.974 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.923 -6.789 6.277 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.493 -5.492 5.407 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.683 -5.447 4.561 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.876 -3.874 3.601 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.300 -3.832 2.751 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.019 -3.045 2.264 1.00 0.00 H new ATOM 983 N SER A 62 -2.337 -7.630 9.181 1.00 0.00 N ATOM 984 CA SER A 62 -3.271 -8.074 10.209 1.00 0.00 C ATOM 985 C SER A 62 -2.717 -9.279 10.962 1.00 0.00 C ATOM 986 O SER A 62 -1.983 -10.092 10.401 1.00 0.00 O ATOM 987 CB SER A 62 -4.621 -8.427 9.582 1.00 0.00 C ATOM 988 OG SER A 62 -5.385 -9.251 10.446 1.00 0.00 O ATOM 0 H SER A 62 -1.642 -8.327 8.913 1.00 0.00 H new ATOM 0 HA SER A 62 -3.409 -7.257 10.917 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.174 -7.513 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.462 -8.939 8.633 1.00 0.00 H new ATOM 0 HG SER A 62 -6.244 -9.461 10.023 1.00 0.00 H new ATOM 994 N ALA A 63 -3.074 -9.387 12.238 1.00 0.00 N ATOM 995 CA ALA A 63 -2.615 -10.493 13.069 1.00 0.00 C ATOM 996 C ALA A 63 -3.649 -11.613 13.112 1.00 0.00 C ATOM 997 O ALA A 63 -4.764 -11.462 12.612 1.00 0.00 O ATOM 998 CB ALA A 63 -2.305 -10.003 14.476 1.00 0.00 C ATOM 0 H ALA A 63 -3.680 -8.722 12.718 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.703 -10.893 12.627 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.963 -10.840 15.086 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.525 -9.243 14.433 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.204 -9.575 14.919 1.00 0.00 H new ATOM 1004 N PHE A 64 -3.272 -12.738 13.712 1.00 0.00 N ATOM 1005 CA PHE A 64 -4.166 -13.884 13.819 1.00 0.00 C ATOM 1006 C PHE A 64 -4.203 -14.414 15.249 1.00 0.00 C ATOM 1007 O PHE A 64 -3.312 -14.151 16.058 1.00 0.00 O ATOM 1008 CB PHE A 64 -3.724 -14.994 12.863 1.00 0.00 C ATOM 1009 CG PHE A 64 -4.328 -14.881 11.492 1.00 0.00 C ATOM 1010 CD1 PHE A 64 -3.945 -13.862 10.635 1.00 0.00 C ATOM 1011 CD2 PHE A 64 -5.278 -15.793 11.062 1.00 0.00 C ATOM 1012 CE1 PHE A 64 -4.499 -13.754 9.373 1.00 0.00 C ATOM 1013 CE2 PHE A 64 -5.834 -15.691 9.801 1.00 0.00 C ATOM 1014 CZ PHE A 64 -5.445 -14.670 8.956 1.00 0.00 C ATOM 0 H PHE A 64 -2.353 -12.880 14.131 1.00 0.00 H new ATOM 0 HA PHE A 64 -5.169 -13.557 13.546 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -2.638 -14.976 12.775 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.993 -15.960 13.291 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.205 -13.144 10.957 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.587 -16.592 11.719 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.193 -12.955 8.714 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -6.572 -16.409 9.476 1.00 0.00 H new ATOM 0 HZ PHE A 64 -5.880 -14.588 7.971 1.00 0.00 H new ATOM 1024 N PRO A 65 -5.257 -15.178 15.570 1.00 0.00 N ATOM 1025 CA PRO A 65 -5.436 -15.762 16.903 1.00 0.00 C ATOM 1026 C PRO A 65 -4.424 -16.865 17.194 1.00 0.00 C ATOM 1027 O PRO A 65 -3.947 -17.540 16.281 1.00 0.00 O ATOM 1028 CB PRO A 65 -6.854 -16.337 16.852 1.00 0.00 C ATOM 1029 CG PRO A 65 -7.103 -16.600 15.407 1.00 0.00 C ATOM 1030 CD PRO A 65 -6.356 -15.533 14.656 1.00 0.00 C ATOM 0 HA PRO A 65 -5.288 -15.026 17.693 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -6.932 -17.251 17.440 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.581 -15.634 17.258 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -6.753 -17.593 15.125 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.169 -16.562 15.182 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -5.981 -15.901 13.701 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.992 -14.674 14.439 1.00 0.00 H new ATOM 1038 N VAL A 66 -4.100 -17.043 18.471 1.00 0.00 N ATOM 1039 CA VAL A 66 -3.145 -18.065 18.882 1.00 0.00 C ATOM 1040 C VAL A 66 -3.697 -19.464 18.632 1.00 0.00 C ATOM 1041 O VAL A 66 -4.845 -19.758 18.963 1.00 0.00 O ATOM 1042 CB VAL A 66 -2.781 -17.927 20.372 1.00 0.00 C ATOM 1043 CG1 VAL A 66 -4.028 -18.033 21.238 1.00 0.00 C ATOM 1044 CG2 VAL A 66 -1.755 -18.977 20.769 1.00 0.00 C ATOM 0 H VAL A 66 -4.485 -16.493 19.239 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.247 -17.919 18.282 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.340 -16.943 20.531 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.752 -17.933 22.288 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.726 -17.240 20.970 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.501 -19.002 21.078 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.509 -18.865 21.825 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.166 -19.971 20.596 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.853 -18.848 20.171 1.00 0.00 H new ATOM 1054 N ASN A 67 -2.871 -20.325 18.046 1.00 0.00 N ATOM 1055 CA ASN A 67 -3.276 -21.694 17.751 1.00 0.00 C ATOM 1056 C ASN A 67 -2.656 -22.671 18.746 1.00 0.00 C ATOM 1057 O ASN A 67 -1.568 -22.434 19.269 1.00 0.00 O ATOM 1058 CB ASN A 67 -2.869 -22.074 16.326 1.00 0.00 C ATOM 1059 CG ASN A 67 -3.611 -23.295 15.819 1.00 0.00 C ATOM 1060 OD1 ASN A 67 -4.700 -23.184 15.256 1.00 0.00 O ATOM 1061 ND2 ASN A 67 -3.022 -24.469 16.016 1.00 0.00 N ATOM 0 H ASN A 67 -1.917 -20.098 17.766 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.361 -21.752 17.839 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.061 -21.233 15.660 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.796 -22.266 16.296 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.473 -25.326 15.696 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.119 -24.514 16.488 1.00 0.00 H new ATOM 1068 N GLY A 68 -3.358 -23.771 19.003 1.00 0.00 N ATOM 1069 CA GLY A 68 -2.861 -24.767 19.934 1.00 0.00 C ATOM 1070 C GLY A 68 -1.681 -25.541 19.380 1.00 0.00 C ATOM 1071 O GLY A 68 -0.530 -25.149 19.569 1.00 0.00 O ATOM 0 H GLY A 68 -4.261 -23.990 18.583 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.567 -24.277 20.862 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.664 -25.462 20.181 1.00 0.00 H new ATOM 1075 N ALA A 69 -1.967 -26.643 18.696 1.00 0.00 N ATOM 1076 CA ALA A 69 -0.921 -27.474 18.113 1.00 0.00 C ATOM 1077 C ALA A 69 -1.295 -27.918 16.703 1.00 0.00 C ATOM 1078 O ALA A 69 -2.110 -28.823 16.523 1.00 0.00 O ATOM 1079 CB ALA A 69 -0.653 -28.683 18.996 1.00 0.00 C ATOM 0 H ALA A 69 -2.915 -26.982 18.532 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.011 -26.877 18.048 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.130 -29.294 18.548 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.333 -28.349 19.983 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.564 -29.273 19.091 1.00 0.00 H new ATOM 1085 N ASP A 70 -0.694 -27.277 15.707 1.00 0.00 N ATOM 1086 CA ASP A 70 -0.964 -27.607 14.312 1.00 0.00 C ATOM 1087 C ASP A 70 0.276 -28.191 13.642 1.00 0.00 C ATOM 1088 O ASP A 70 0.455 -28.069 12.429 1.00 0.00 O ATOM 1089 CB ASP A 70 -1.431 -26.364 13.553 1.00 0.00 C ATOM 1090 CG ASP A 70 -0.658 -25.121 13.946 1.00 0.00 C ATOM 1091 OD1 ASP A 70 0.537 -25.248 14.288 1.00 0.00 O ATOM 1092 OD2 ASP A 70 -1.247 -24.020 13.910 1.00 0.00 O ATOM 0 H ASP A 70 -0.017 -26.526 15.839 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.755 -28.356 14.288 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.321 -26.533 12.482 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.492 -26.203 13.743 1.00 0.00 H new ATOM 1097 N LEU A 71 1.130 -28.824 14.439 1.00 0.00 N ATOM 1098 CA LEU A 71 2.355 -29.426 13.923 1.00 0.00 C ATOM 1099 C LEU A 71 3.289 -28.362 13.359 1.00 0.00 C ATOM 1100 O LEU A 71 4.237 -28.673 12.637 1.00 0.00 O ATOM 1101 CB LEU A 71 2.024 -30.457 12.842 1.00 0.00 C ATOM 1102 CG LEU A 71 2.993 -31.633 12.717 1.00 0.00 C ATOM 1103 CD1 LEU A 71 2.230 -32.939 12.562 1.00 0.00 C ATOM 1104 CD2 LEU A 71 3.938 -31.423 11.542 1.00 0.00 C ATOM 0 H LEU A 71 0.997 -28.934 15.444 1.00 0.00 H new ATOM 0 HA LEU A 71 2.861 -29.925 14.749 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.027 -30.853 13.038 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.980 -29.945 11.881 1.00 0.00 H new ATOM 0 HG LEU A 71 3.586 -31.689 13.630 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.936 -33.765 12.474 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.595 -33.095 13.434 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.611 -32.895 11.666 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.621 -32.270 11.468 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.361 -31.341 10.621 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.510 -30.508 11.694 1.00 0.00 H new ATOM 1116 N TYR A 72 3.017 -27.105 13.693 1.00 0.00 N ATOM 1117 CA TYR A 72 3.833 -25.994 13.219 1.00 0.00 C ATOM 1118 C TYR A 72 4.070 -24.978 14.333 1.00 0.00 C ATOM 1119 O TYR A 72 3.153 -24.632 15.076 1.00 0.00 O ATOM 1120 CB TYR A 72 3.161 -25.312 12.026 1.00 0.00 C ATOM 1121 CG TYR A 72 4.135 -24.644 11.082 1.00 0.00 C ATOM 1122 CD1 TYR A 72 5.035 -25.394 10.336 1.00 0.00 C ATOM 1123 CD2 TYR A 72 4.154 -23.262 10.936 1.00 0.00 C ATOM 1124 CE1 TYR A 72 5.927 -24.788 9.473 1.00 0.00 C ATOM 1125 CE2 TYR A 72 5.042 -22.647 10.075 1.00 0.00 C ATOM 1126 CZ TYR A 72 5.927 -23.414 9.346 1.00 0.00 C ATOM 1127 OH TYR A 72 6.813 -22.807 8.486 1.00 0.00 O ATOM 0 H TYR A 72 2.237 -26.830 14.290 1.00 0.00 H new ATOM 0 HA TYR A 72 4.797 -26.393 12.905 1.00 0.00 H new ATOM 0 HB2 TYR A 72 2.583 -26.052 11.474 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.456 -24.567 12.394 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.037 -26.470 10.432 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.463 -22.659 11.505 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.621 -25.386 8.901 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.043 -21.572 9.973 1.00 0.00 H new ATOM 0 HH TYR A 72 6.682 -21.836 8.513 1.00 0.00 H new ATOM 1137 N GLU A 73 5.308 -24.505 14.439 1.00 0.00 N ATOM 1138 CA GLU A 73 5.666 -23.529 15.462 1.00 0.00 C ATOM 1139 C GLU A 73 7.000 -22.864 15.136 1.00 0.00 C ATOM 1140 O GLU A 73 7.838 -23.439 14.443 1.00 0.00 O ATOM 1141 CB GLU A 73 5.740 -24.200 16.835 1.00 0.00 C ATOM 1142 CG GLU A 73 6.487 -25.523 16.827 1.00 0.00 C ATOM 1143 CD GLU A 73 6.650 -26.110 18.215 1.00 0.00 C ATOM 1144 OE1 GLU A 73 5.653 -26.137 18.968 1.00 0.00 O ATOM 1145 OE2 GLU A 73 7.773 -26.541 18.550 1.00 0.00 O ATOM 0 H GLU A 73 6.078 -24.781 13.830 1.00 0.00 H new ATOM 0 HA GLU A 73 4.892 -22.761 15.482 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.227 -23.522 17.536 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.728 -24.366 17.204 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.953 -26.234 16.197 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.471 -25.378 16.380 1.00 0.00 H new ATOM 1152 N GLU A 74 7.188 -21.649 15.641 1.00 0.00 N ATOM 1153 CA GLU A 74 8.420 -20.905 15.402 1.00 0.00 C ATOM 1154 C GLU A 74 9.447 -21.188 16.495 1.00 0.00 C ATOM 1155 O GLU A 74 9.282 -20.770 17.642 1.00 0.00 O ATOM 1156 CB GLU A 74 8.130 -19.404 15.336 1.00 0.00 C ATOM 1157 CG GLU A 74 7.300 -18.997 14.130 1.00 0.00 C ATOM 1158 CD GLU A 74 5.810 -19.133 14.376 1.00 0.00 C ATOM 1159 OE1 GLU A 74 5.398 -19.101 15.555 1.00 0.00 O ATOM 1160 OE2 GLU A 74 5.055 -19.272 13.391 1.00 0.00 O ATOM 0 H GLU A 74 6.504 -21.159 16.218 1.00 0.00 H new ATOM 0 HA GLU A 74 8.832 -21.231 14.447 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.608 -19.103 16.244 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.075 -18.860 15.317 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.529 -17.964 13.868 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.581 -19.612 13.275 1.00 0.00 H new ATOM 1167 N LEU A 75 10.506 -21.902 16.132 1.00 0.00 N ATOM 1168 CA LEU A 75 11.561 -22.243 17.080 1.00 0.00 C ATOM 1169 C LEU A 75 12.917 -21.748 16.587 1.00 0.00 C ATOM 1170 O LEU A 75 13.344 -22.074 15.479 1.00 0.00 O ATOM 1171 CB LEU A 75 11.607 -23.756 17.300 1.00 0.00 C ATOM 1172 CG LEU A 75 11.679 -24.616 16.038 1.00 0.00 C ATOM 1173 CD1 LEU A 75 12.421 -25.914 16.319 1.00 0.00 C ATOM 1174 CD2 LEU A 75 10.282 -24.903 15.508 1.00 0.00 C ATOM 0 H LEU A 75 10.657 -22.256 15.188 1.00 0.00 H new ATOM 0 HA LEU A 75 11.337 -21.751 18.027 1.00 0.00 H new ATOM 0 HB2 LEU A 75 12.472 -23.986 17.922 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.721 -24.048 17.864 1.00 0.00 H new ATOM 0 HG LEU A 75 12.229 -24.064 15.276 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.463 -26.514 15.410 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.434 -25.689 16.652 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.899 -26.471 17.097 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.353 -25.516 14.610 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.707 -25.435 16.266 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.784 -23.964 15.268 1.00 0.00 H new ATOM 1186 N LYS A 76 13.592 -20.960 17.418 1.00 0.00 N ATOM 1187 CA LYS A 76 14.901 -20.423 17.069 1.00 0.00 C ATOM 1188 C LYS A 76 15.973 -21.505 17.151 1.00 0.00 C ATOM 1189 O LYS A 76 16.742 -21.705 16.211 1.00 0.00 O ATOM 1190 CB LYS A 76 15.262 -19.261 17.998 1.00 0.00 C ATOM 1191 CG LYS A 76 16.495 -18.490 17.557 1.00 0.00 C ATOM 1192 CD LYS A 76 16.170 -17.509 16.444 1.00 0.00 C ATOM 1193 CE LYS A 76 15.717 -16.167 16.998 1.00 0.00 C ATOM 1194 NZ LYS A 76 16.855 -15.386 17.559 1.00 0.00 N ATOM 0 H LYS A 76 13.253 -20.679 18.338 1.00 0.00 H new ATOM 0 HA LYS A 76 14.855 -20.059 16.042 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.416 -18.576 18.055 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.426 -19.648 19.004 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.912 -17.951 18.408 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.259 -19.188 17.216 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.049 -17.366 15.815 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.388 -17.924 15.809 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.236 -15.591 16.207 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.969 -16.328 17.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.565 -14.396 17.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.135 -15.790 18.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.660 -15.426 16.902 1.00 0.00 H new ATOM 1208 N THR A 77 16.018 -22.202 18.282 1.00 0.00 N ATOM 1209 CA THR A 77 16.995 -23.264 18.487 1.00 0.00 C ATOM 1210 C THR A 77 18.403 -22.789 18.146 1.00 0.00 C ATOM 1211 O THR A 77 19.222 -23.556 17.640 1.00 0.00 O ATOM 1212 CB THR A 77 16.664 -24.504 17.635 1.00 0.00 C ATOM 1213 OG1 THR A 77 17.022 -24.270 16.269 1.00 0.00 O ATOM 1214 CG2 THR A 77 15.184 -24.844 17.727 1.00 0.00 C ATOM 0 H THR A 77 15.389 -22.050 19.070 1.00 0.00 H new ATOM 0 HA THR A 77 16.951 -23.535 19.542 1.00 0.00 H new ATOM 0 HB THR A 77 17.238 -25.346 18.020 1.00 0.00 H new ATOM 0 HG1 THR A 77 16.918 -23.318 16.062 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.974 -25.723 17.117 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.922 -25.051 18.765 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.594 -24.002 17.365 1.00 0.00 H new ATOM 1222 N SER A 78 18.679 -21.520 18.428 1.00 0.00 N ATOM 1223 CA SER A 78 19.988 -20.941 18.148 1.00 0.00 C ATOM 1224 C SER A 78 20.631 -20.409 19.425 1.00 0.00 C ATOM 1225 O SER A 78 20.617 -19.205 19.687 1.00 0.00 O ATOM 1226 CB SER A 78 19.862 -19.816 17.119 1.00 0.00 C ATOM 1227 OG SER A 78 21.125 -19.489 16.564 1.00 0.00 O ATOM 0 H SER A 78 18.013 -20.873 18.850 1.00 0.00 H new ATOM 0 HA SER A 78 20.626 -21.726 17.741 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.180 -20.120 16.325 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.429 -18.934 17.591 1.00 0.00 H new ATOM 0 HG SER A 78 21.018 -18.769 15.908 1.00 0.00 H new ATOM 1233 N THR A 79 21.195 -21.314 20.218 1.00 0.00 N ATOM 1234 CA THR A 79 21.842 -20.938 21.469 1.00 0.00 C ATOM 1235 C THR A 79 23.322 -21.303 21.453 1.00 0.00 C ATOM 1236 O THR A 79 23.727 -22.264 20.799 1.00 0.00 O ATOM 1237 CB THR A 79 21.169 -21.617 22.676 1.00 0.00 C ATOM 1238 OG1 THR A 79 21.787 -21.179 23.892 1.00 0.00 O ATOM 1239 CG2 THR A 79 21.268 -23.132 22.569 1.00 0.00 C ATOM 0 H THR A 79 21.217 -22.314 20.016 1.00 0.00 H new ATOM 0 HA THR A 79 21.738 -19.857 21.567 1.00 0.00 H new ATOM 0 HB THR A 79 20.116 -21.336 22.682 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.352 -21.614 24.655 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.786 -23.590 23.433 1.00 0.00 H new ATOM 0 HG22 THR A 79 20.772 -23.466 21.657 1.00 0.00 H new ATOM 0 HG23 THR A 79 22.317 -23.427 22.540 1.00 0.00 H new ATOM 1247 N ALA A 80 24.125 -20.532 22.179 1.00 0.00 N ATOM 1248 CA ALA A 80 25.560 -20.777 22.251 1.00 0.00 C ATOM 1249 C ALA A 80 26.130 -20.310 23.585 1.00 0.00 C ATOM 1250 O ALA A 80 25.400 -19.813 24.444 1.00 0.00 O ATOM 1251 CB ALA A 80 26.272 -20.084 21.098 1.00 0.00 C ATOM 0 H ALA A 80 23.806 -19.732 22.726 1.00 0.00 H new ATOM 0 HA ALA A 80 25.725 -21.852 22.172 1.00 0.00 H new ATOM 0 HB1 ALA A 80 27.343 -20.275 21.164 1.00 0.00 H new ATOM 0 HB2 ALA A 80 25.892 -20.469 20.152 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.091 -19.010 21.151 1.00 0.00 H new ATOM 1257 N ILE A 81 27.438 -20.472 23.754 1.00 0.00 N ATOM 1258 CA ILE A 81 28.106 -20.066 24.984 1.00 0.00 C ATOM 1259 C ILE A 81 28.578 -18.619 24.902 1.00 0.00 C ATOM 1260 O ILE A 81 28.077 -17.749 25.616 1.00 0.00 O ATOM 1261 CB ILE A 81 29.313 -20.971 25.295 1.00 0.00 C ATOM 1262 CG1 ILE A 81 28.909 -22.444 25.211 1.00 0.00 C ATOM 1263 CG2 ILE A 81 29.877 -20.648 26.670 1.00 0.00 C ATOM 1264 CD1 ILE A 81 29.083 -23.041 23.832 1.00 0.00 C ATOM 0 H ILE A 81 28.056 -20.882 23.054 1.00 0.00 H new ATOM 0 HA ILE A 81 27.374 -20.162 25.786 1.00 0.00 H new ATOM 0 HB ILE A 81 30.089 -20.784 24.553 1.00 0.00 H new ATOM 0 HG12 ILE A 81 29.503 -23.016 25.923 1.00 0.00 H new ATOM 0 HG13 ILE A 81 27.866 -22.544 25.512 1.00 0.00 H new ATOM 0 HG21 ILE A 81 30.729 -21.296 26.875 1.00 0.00 H new ATOM 0 HG22 ILE A 81 30.198 -19.607 26.696 1.00 0.00 H new ATOM 0 HG23 ILE A 81 29.108 -20.810 27.426 1.00 0.00 H new ATOM 0 HD11 ILE A 81 28.777 -24.087 23.847 1.00 0.00 H new ATOM 0 HD12 ILE A 81 28.468 -22.493 23.118 1.00 0.00 H new ATOM 0 HD13 ILE A 81 30.130 -22.973 23.536 1.00 0.00 H new ATOM 1276 N LEU A 82 29.543 -18.366 24.025 1.00 0.00 N ATOM 1277 CA LEU A 82 30.083 -17.022 23.847 1.00 0.00 C ATOM 1278 C LEU A 82 30.587 -16.457 25.171 1.00 0.00 C ATOM 1279 O LEU A 82 30.632 -15.242 25.362 1.00 0.00 O ATOM 1280 CB LEU A 82 29.016 -16.097 23.258 1.00 0.00 C ATOM 1281 CG LEU A 82 28.816 -16.181 21.745 1.00 0.00 C ATOM 1282 CD1 LEU A 82 30.108 -15.845 21.016 1.00 0.00 C ATOM 1283 CD2 LEU A 82 28.322 -17.564 21.347 1.00 0.00 C ATOM 0 H LEU A 82 29.968 -19.074 23.426 1.00 0.00 H new ATOM 0 HA LEU A 82 30.924 -17.084 23.156 1.00 0.00 H new ATOM 0 HB2 LEU A 82 28.065 -16.317 23.743 1.00 0.00 H new ATOM 0 HB3 LEU A 82 29.273 -15.069 23.514 1.00 0.00 H new ATOM 0 HG LEU A 82 28.060 -15.451 21.458 1.00 0.00 H new ATOM 0 HD11 LEU A 82 29.946 -15.910 19.940 1.00 0.00 H new ATOM 0 HD12 LEU A 82 30.420 -14.833 21.276 1.00 0.00 H new ATOM 0 HD13 LEU A 82 30.885 -16.551 21.309 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.185 -17.605 20.266 1.00 0.00 H new ATOM 0 HD22 LEU A 82 29.055 -18.313 21.649 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.372 -17.767 21.841 1.00 0.00 H new ATOM 1295 N SER A 83 30.966 -17.348 26.082 1.00 0.00 N ATOM 1296 CA SER A 83 31.466 -16.939 27.390 1.00 0.00 C ATOM 1297 C SER A 83 32.833 -17.556 27.666 1.00 0.00 C ATOM 1298 O SER A 83 33.573 -17.088 28.530 1.00 0.00 O ATOM 1299 CB SER A 83 30.479 -17.345 28.486 1.00 0.00 C ATOM 1300 OG SER A 83 30.915 -16.895 29.757 1.00 0.00 O ATOM 0 H SER A 83 30.936 -18.357 25.939 1.00 0.00 H new ATOM 0 HA SER A 83 31.570 -15.854 27.389 1.00 0.00 H new ATOM 0 HB2 SER A 83 29.496 -16.929 28.267 1.00 0.00 H new ATOM 0 HB3 SER A 83 30.370 -18.429 28.498 1.00 0.00 H new ATOM 0 HG SER A 83 30.266 -17.166 30.440 1.00 0.00 H new TER 1306 SER A 83