USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 MET CE :methyl -142:sc= -4.86 (180deg=-6.74!) USER MOD Set 1.2: A 52 SER OG : rot 150:sc= -0.512 USER MOD Set 2.1: A 12 THR OG1 : rot 160:sc= 0 USER MOD Set 2.2: A 23 LYS NZ :NH3+ -119:sc= -0.62 (180deg=-2.6!) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 30:sc= -3.03! USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= -0.198 (180deg=-1.15) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.11 F(o=-0.62,f=-0.11) USER MOD Single : A 39 SER OG : rot 7:sc= 0.401! USER MOD Single : A 41 THR OG1 : rot -85:sc= -2.5! USER MOD Single : A 49 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.52) USER MOD Single : A 55 ASN : amide:sc= -0.185 K(o=-0.18,f=-3.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 59 GLN : amide:sc= -7! C(o=-7!,f=-6.9!) USER MOD Single : A 64 SER OG : rot -35:sc= 0.992 USER MOD Single : A 66 HIS : no HD1:sc= -0.618 X(o=-0.62,f=-0.16) USER MOD Single : A 70 CYS SG : rot 24:sc= 0.564 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.467 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -71:sc= 1.34 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 40 N MET A 5 -1.846 7.908 -2.012 1.00 0.00 N ATOM 41 CA MET A 5 -2.701 9.052 -2.307 1.00 0.00 C ATOM 42 C MET A 5 -3.880 8.640 -3.181 1.00 0.00 C ATOM 43 O MET A 5 -3.954 7.502 -3.646 1.00 0.00 O ATOM 44 CB MET A 5 -1.895 10.152 -3.002 1.00 0.00 C ATOM 45 CG MET A 5 -1.271 11.148 -2.039 1.00 0.00 C ATOM 46 SD MET A 5 -0.728 12.660 -2.859 1.00 0.00 S ATOM 47 CE MET A 5 0.976 12.748 -2.315 1.00 0.00 C ATOM 0 HA MET A 5 -3.089 9.436 -1.364 1.00 0.00 H new ATOM 0 HB2 MET A 5 -1.107 9.692 -3.598 1.00 0.00 H new ATOM 0 HB3 MET A 5 -2.546 10.687 -3.693 1.00 0.00 H new ATOM 0 HG2 MET A 5 -1.994 11.400 -1.263 1.00 0.00 H new ATOM 0 HG3 MET A 5 -0.420 10.683 -1.542 1.00 0.00 H new ATOM 0 HE1 MET A 5 1.449 13.633 -2.740 1.00 0.00 H new ATOM 0 HE2 MET A 5 1.008 12.807 -1.227 1.00 0.00 H new ATOM 0 HE3 MET A 5 1.510 11.857 -2.646 1.00 0.00 H new ATOM 57 N VAL A 6 -4.803 9.571 -3.401 1.00 0.00 N ATOM 58 CA VAL A 6 -5.979 9.304 -4.221 1.00 0.00 C ATOM 59 C VAL A 6 -6.398 10.545 -5.001 1.00 0.00 C ATOM 60 O VAL A 6 -6.277 11.669 -4.512 1.00 0.00 O ATOM 61 CB VAL A 6 -7.164 8.826 -3.362 1.00 0.00 C ATOM 62 CG1 VAL A 6 -6.949 7.391 -2.906 1.00 0.00 C ATOM 63 CG2 VAL A 6 -7.365 9.749 -2.169 1.00 0.00 C ATOM 0 H VAL A 6 -4.759 10.517 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.705 8.514 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.067 8.857 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.797 7.071 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.860 6.742 -3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.036 7.330 -2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.207 9.396 -1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.463 9.753 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.569 10.760 -2.522 1.00 0.00 H new ATOM 73 N ASP A 7 -6.893 10.334 -6.215 1.00 0.00 N ATOM 74 CA ASP A 7 -7.333 11.436 -7.064 1.00 0.00 C ATOM 75 C ASP A 7 -8.469 12.211 -6.403 1.00 0.00 C ATOM 76 O ASP A 7 -9.511 11.644 -6.073 1.00 0.00 O ATOM 77 CB ASP A 7 -7.784 10.910 -8.427 1.00 0.00 C ATOM 78 CG ASP A 7 -6.622 10.696 -9.378 1.00 0.00 C ATOM 79 OD1 ASP A 7 -5.932 11.685 -9.703 1.00 0.00 O ATOM 80 OD2 ASP A 7 -6.404 9.540 -9.799 1.00 0.00 O ATOM 0 H ASP A 7 -7.000 9.410 -6.634 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.490 12.112 -7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.317 9.969 -8.292 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.488 11.614 -8.870 1.00 0.00 H new ATOM 85 N VAL A 8 -8.259 13.509 -6.210 1.00 0.00 N ATOM 86 CA VAL A 8 -9.265 14.362 -5.588 1.00 0.00 C ATOM 87 C VAL A 8 -9.854 15.342 -6.597 1.00 0.00 C ATOM 88 O VAL A 8 -9.124 16.074 -7.265 1.00 0.00 O ATOM 89 CB VAL A 8 -8.677 15.152 -4.405 1.00 0.00 C ATOM 90 CG1 VAL A 8 -9.762 15.962 -3.711 1.00 0.00 C ATOM 91 CG2 VAL A 8 -7.993 14.212 -3.424 1.00 0.00 C ATOM 0 H VAL A 8 -7.401 13.993 -6.475 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.054 13.705 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.929 15.846 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.327 16.514 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.202 16.663 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.535 15.290 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.583 14.788 -2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.718 13.493 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.187 13.681 -3.930 1.00 0.00 H new ATOM 101 N ILE A 9 -11.179 15.350 -6.701 1.00 0.00 N ATOM 102 CA ILE A 9 -11.866 16.241 -7.627 1.00 0.00 C ATOM 103 C ILE A 9 -12.827 17.167 -6.888 1.00 0.00 C ATOM 104 O ILE A 9 -13.631 16.719 -6.071 1.00 0.00 O ATOM 105 CB ILE A 9 -12.650 15.451 -8.692 1.00 0.00 C ATOM 106 CG1 ILE A 9 -11.766 14.360 -9.301 1.00 0.00 C ATOM 107 CG2 ILE A 9 -13.165 16.388 -9.774 1.00 0.00 C ATOM 108 CD1 ILE A 9 -12.468 13.534 -10.356 1.00 0.00 C ATOM 0 H ILE A 9 -11.797 14.750 -6.156 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.098 16.836 -8.120 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.506 14.975 -8.214 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.883 14.823 -9.741 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.418 13.700 -8.506 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.717 15.815 -10.519 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.824 17.132 -9.327 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.323 16.889 -10.252 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.782 12.781 -10.744 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -13.336 13.043 -9.916 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.792 14.183 -11.170 1.00 0.00 H new ATOM 120 N ILE A 10 -12.738 18.460 -7.183 1.00 0.00 N ATOM 121 CA ILE A 10 -13.602 19.448 -6.549 1.00 0.00 C ATOM 122 C ILE A 10 -14.448 20.182 -7.583 1.00 0.00 C ATOM 123 O ILE A 10 -13.937 20.650 -8.601 1.00 0.00 O ATOM 124 CB ILE A 10 -12.784 20.478 -5.746 1.00 0.00 C ATOM 125 CG1 ILE A 10 -13.717 21.477 -5.058 1.00 0.00 C ATOM 126 CG2 ILE A 10 -11.803 21.200 -6.657 1.00 0.00 C ATOM 127 CD1 ILE A 10 -13.243 21.899 -3.685 1.00 0.00 C ATOM 0 H ILE A 10 -12.077 18.847 -7.856 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.256 18.905 -5.867 1.00 0.00 H new ATOM 0 HB ILE A 10 -12.216 19.952 -4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -13.816 22.362 -5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -14.709 21.035 -4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -11.232 21.924 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.122 20.476 -7.105 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -12.351 21.718 -7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.952 22.607 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.171 21.023 -3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -12.264 22.371 -3.767 1.00 0.00 H new ATOM 139 N TYR A 11 -15.745 20.282 -7.314 1.00 0.00 N ATOM 140 CA TYR A 11 -16.664 20.959 -8.222 1.00 0.00 C ATOM 141 C TYR A 11 -17.071 22.322 -7.668 1.00 0.00 C ATOM 142 O TYR A 11 -17.636 22.420 -6.579 1.00 0.00 O ATOM 143 CB TYR A 11 -17.907 20.100 -8.458 1.00 0.00 C ATOM 144 CG TYR A 11 -17.971 19.494 -9.841 1.00 0.00 C ATOM 145 CD1 TYR A 11 -16.846 18.925 -10.425 1.00 0.00 C ATOM 146 CD2 TYR A 11 -19.157 19.490 -10.565 1.00 0.00 C ATOM 147 CE1 TYR A 11 -16.899 18.371 -11.689 1.00 0.00 C ATOM 148 CE2 TYR A 11 -19.221 18.936 -11.829 1.00 0.00 C ATOM 149 CZ TYR A 11 -18.089 18.379 -12.387 1.00 0.00 C ATOM 150 OH TYR A 11 -18.147 17.827 -13.646 1.00 0.00 O ATOM 0 H TYR A 11 -16.184 19.903 -6.475 1.00 0.00 H new ATOM 0 HA TYR A 11 -16.151 21.111 -9.171 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -17.931 19.300 -7.718 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -18.796 20.710 -8.296 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -15.913 18.916 -9.881 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -20.044 19.928 -10.132 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -16.014 17.934 -12.128 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -20.152 18.939 -12.377 1.00 0.00 H new ATOM 0 HH TYR A 11 -17.495 17.099 -13.714 1.00 0.00 H new ATOM 160 N THR A 12 -16.779 23.373 -8.428 1.00 0.00 N ATOM 161 CA THR A 12 -17.113 24.730 -8.016 1.00 0.00 C ATOM 162 C THR A 12 -17.525 25.582 -9.211 1.00 0.00 C ATOM 163 O THR A 12 -17.155 25.293 -10.349 1.00 0.00 O ATOM 164 CB THR A 12 -15.929 25.407 -7.301 1.00 0.00 C ATOM 165 OG1 THR A 12 -14.929 25.781 -8.255 1.00 0.00 O ATOM 166 CG2 THR A 12 -15.323 24.478 -6.260 1.00 0.00 C ATOM 0 H THR A 12 -16.312 23.310 -9.332 1.00 0.00 H new ATOM 0 HA THR A 12 -17.951 24.653 -7.323 1.00 0.00 H new ATOM 0 HB THR A 12 -16.300 26.299 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 12 -14.351 26.473 -7.869 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.489 24.978 -5.768 1.00 0.00 H new ATOM 0 HG22 THR A 12 -16.079 24.220 -5.519 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.966 23.570 -6.746 1.00 0.00 H new ATOM 174 N ARG A 13 -18.292 26.635 -8.945 1.00 0.00 N ATOM 175 CA ARG A 13 -18.755 27.529 -10.000 1.00 0.00 C ATOM 176 C ARG A 13 -17.987 28.847 -9.970 1.00 0.00 C ATOM 177 O ARG A 13 -17.473 29.271 -8.934 1.00 0.00 O ATOM 178 CB ARG A 13 -20.254 27.795 -9.851 1.00 0.00 C ATOM 179 CG ARG A 13 -20.632 28.421 -8.518 1.00 0.00 C ATOM 180 CD ARG A 13 -22.018 29.044 -8.568 1.00 0.00 C ATOM 181 NE ARG A 13 -22.994 28.159 -9.199 1.00 0.00 N ATOM 182 CZ ARG A 13 -24.141 28.581 -9.718 1.00 0.00 C ATOM 183 NH1 ARG A 13 -24.455 29.869 -9.682 1.00 0.00 N ATOM 184 NH2 ARG A 13 -24.977 27.715 -10.275 1.00 0.00 N ATOM 0 H ARG A 13 -18.606 26.890 -8.008 1.00 0.00 H new ATOM 0 HA ARG A 13 -18.573 27.044 -10.959 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -20.580 28.453 -10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.795 26.856 -9.968 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -20.601 27.662 -7.737 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -19.899 29.183 -8.252 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -22.345 29.281 -7.556 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -21.973 29.984 -9.117 1.00 0.00 H new ATOM 0 HE ARG A 13 -22.783 27.162 -9.243 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -23.815 30.538 -9.255 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -25.337 30.190 -10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -24.739 26.724 -10.305 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -25.858 28.040 -10.673 1.00 0.00 H new ATOM 198 N PRO A 14 -17.907 29.512 -11.132 1.00 0.00 N ATOM 199 CA PRO A 14 -17.204 30.792 -11.265 1.00 0.00 C ATOM 200 C PRO A 14 -17.929 31.928 -10.553 1.00 0.00 C ATOM 201 O PRO A 14 -18.513 32.802 -11.192 1.00 0.00 O ATOM 202 CB PRO A 14 -17.188 31.032 -12.777 1.00 0.00 C ATOM 203 CG PRO A 14 -18.360 30.272 -13.294 1.00 0.00 C ATOM 204 CD PRO A 14 -18.496 29.066 -12.406 1.00 0.00 C ATOM 0 HA PRO A 14 -16.212 30.761 -10.814 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -17.271 32.094 -13.010 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -16.259 30.679 -13.224 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.263 30.881 -13.266 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -18.207 29.977 -14.332 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -19.538 28.771 -12.285 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.967 28.205 -12.814 1.00 0.00 H new ATOM 212 N GLY A 15 -17.888 31.910 -9.224 1.00 0.00 N ATOM 213 CA GLY A 15 -18.544 32.945 -8.447 1.00 0.00 C ATOM 214 C GLY A 15 -19.290 32.386 -7.251 1.00 0.00 C ATOM 215 O GLY A 15 -20.516 32.475 -7.177 1.00 0.00 O ATOM 0 H GLY A 15 -17.412 31.197 -8.672 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.800 33.664 -8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.241 33.488 -9.085 1.00 0.00 H new ATOM 219 N CYS A 16 -18.549 31.808 -6.311 1.00 0.00 N ATOM 220 CA CYS A 16 -19.147 31.230 -5.113 1.00 0.00 C ATOM 221 C CYS A 16 -18.185 31.314 -3.931 1.00 0.00 C ATOM 222 O CYS A 16 -17.036 30.878 -4.002 1.00 0.00 O ATOM 223 CB CYS A 16 -19.538 29.773 -5.365 1.00 0.00 C ATOM 224 SG CYS A 16 -18.211 28.763 -6.098 1.00 0.00 S ATOM 0 H CYS A 16 -17.533 31.727 -6.356 1.00 0.00 H new ATOM 0 HA CYS A 16 -20.043 31.802 -4.871 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -19.844 29.322 -4.421 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -20.405 29.750 -6.026 1.00 0.00 H new ATOM 229 N PRO A 17 -18.665 31.887 -2.818 1.00 0.00 N ATOM 230 CA PRO A 17 -17.865 32.041 -1.599 1.00 0.00 C ATOM 231 C PRO A 17 -17.593 30.707 -0.912 1.00 0.00 C ATOM 232 O PRO A 17 -16.464 30.424 -0.509 1.00 0.00 O ATOM 233 CB PRO A 17 -18.739 32.930 -0.711 1.00 0.00 C ATOM 234 CG PRO A 17 -20.131 32.688 -1.185 1.00 0.00 C ATOM 235 CD PRO A 17 -20.026 32.429 -2.662 1.00 0.00 C ATOM 0 HA PRO A 17 -16.881 32.460 -1.808 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.628 32.669 0.341 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -18.464 33.980 -0.810 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.576 31.837 -0.670 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.767 33.550 -0.984 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -20.782 31.720 -3.000 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.164 33.342 -3.241 1.00 0.00 H new ATOM 243 N TYR A 18 -18.632 29.890 -0.783 1.00 0.00 N ATOM 244 CA TYR A 18 -18.505 28.586 -0.143 1.00 0.00 C ATOM 245 C TYR A 18 -17.353 27.792 -0.750 1.00 0.00 C ATOM 246 O TYR A 18 -16.648 27.064 -0.050 1.00 0.00 O ATOM 247 CB TYR A 18 -19.809 27.799 -0.278 1.00 0.00 C ATOM 248 CG TYR A 18 -20.997 28.481 0.362 1.00 0.00 C ATOM 249 CD1 TYR A 18 -21.237 28.368 1.725 1.00 0.00 C ATOM 250 CD2 TYR A 18 -21.881 29.238 -0.398 1.00 0.00 C ATOM 251 CE1 TYR A 18 -22.322 28.989 2.314 1.00 0.00 C ATOM 252 CE2 TYR A 18 -22.967 29.864 0.182 1.00 0.00 C ATOM 253 CZ TYR A 18 -23.184 29.736 1.538 1.00 0.00 C ATOM 254 OH TYR A 18 -24.265 30.357 2.120 1.00 0.00 O ATOM 0 H TYR A 18 -19.572 30.108 -1.113 1.00 0.00 H new ATOM 0 HA TYR A 18 -18.294 28.747 0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -20.019 27.639 -1.336 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -19.678 26.816 0.174 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -20.564 27.785 2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -21.716 29.338 -1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -22.494 28.890 3.376 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -23.643 30.451 -0.423 1.00 0.00 H new ATOM 0 HH TYR A 18 -24.771 30.843 1.436 1.00 0.00 H new ATOM 264 N CYS A 19 -17.167 27.937 -2.058 1.00 0.00 N ATOM 265 CA CYS A 19 -16.102 27.235 -2.762 1.00 0.00 C ATOM 266 C CYS A 19 -14.737 27.814 -2.402 1.00 0.00 C ATOM 267 O CYS A 19 -13.818 27.083 -2.036 1.00 0.00 O ATOM 268 CB CYS A 19 -16.320 27.318 -4.274 1.00 0.00 C ATOM 269 SG CYS A 19 -18.053 27.088 -4.789 1.00 0.00 S ATOM 0 H CYS A 19 -17.741 28.535 -2.652 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.126 26.190 -2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.973 28.289 -4.628 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -15.704 26.562 -4.761 1.00 0.00 H new ATOM 274 N ALA A 20 -14.614 29.133 -2.509 1.00 0.00 N ATOM 275 CA ALA A 20 -13.363 29.812 -2.192 1.00 0.00 C ATOM 276 C ALA A 20 -12.838 29.384 -0.826 1.00 0.00 C ATOM 277 O ALA A 20 -11.644 29.131 -0.661 1.00 0.00 O ATOM 278 CB ALA A 20 -13.555 31.321 -2.237 1.00 0.00 C ATOM 0 H ALA A 20 -15.365 29.753 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.624 29.529 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.613 31.815 -1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.877 31.617 -3.235 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -14.312 31.613 -1.510 1.00 0.00 H new ATOM 284 N ARG A 21 -13.736 29.307 0.151 1.00 0.00 N ATOM 285 CA ARG A 21 -13.361 28.912 1.504 1.00 0.00 C ATOM 286 C ARG A 21 -12.842 27.477 1.527 1.00 0.00 C ATOM 287 O ARG A 21 -11.769 27.204 2.063 1.00 0.00 O ATOM 288 CB ARG A 21 -14.558 29.048 2.447 1.00 0.00 C ATOM 289 CG ARG A 21 -14.569 30.350 3.232 1.00 0.00 C ATOM 290 CD ARG A 21 -13.391 30.433 4.190 1.00 0.00 C ATOM 291 NE ARG A 21 -13.777 30.119 5.562 1.00 0.00 N ATOM 292 CZ ARG A 21 -13.070 30.482 6.627 1.00 0.00 C ATOM 293 NH1 ARG A 21 -11.947 31.169 6.477 1.00 0.00 N ATOM 294 NH2 ARG A 21 -13.488 30.159 7.844 1.00 0.00 N ATOM 0 H ARG A 21 -14.728 29.513 0.031 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.564 29.574 1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.478 28.976 1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.556 28.212 3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.538 31.193 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.501 30.431 3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.611 29.743 3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.965 31.436 4.154 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.637 29.592 5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.624 31.420 5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.406 31.447 7.296 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.353 29.631 7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.944 30.438 8.661 1.00 0.00 H new ATOM 308 N ALA A 22 -13.612 26.565 0.942 1.00 0.00 N ATOM 309 CA ALA A 22 -13.229 25.160 0.895 1.00 0.00 C ATOM 310 C ALA A 22 -11.852 24.987 0.264 1.00 0.00 C ATOM 311 O ALA A 22 -10.929 24.471 0.895 1.00 0.00 O ATOM 312 CB ALA A 22 -14.268 24.356 0.127 1.00 0.00 C ATOM 0 H ALA A 22 -14.504 26.774 0.494 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.180 24.788 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.970 23.308 0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.235 24.445 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.344 24.738 -0.891 1.00 0.00 H new ATOM 318 N LYS A 23 -11.719 25.420 -0.985 1.00 0.00 N ATOM 319 CA LYS A 23 -10.454 25.314 -1.702 1.00 0.00 C ATOM 320 C LYS A 23 -9.315 25.918 -0.887 1.00 0.00 C ATOM 321 O LYS A 23 -8.259 25.306 -0.730 1.00 0.00 O ATOM 322 CB LYS A 23 -10.553 26.015 -3.059 1.00 0.00 C ATOM 323 CG LYS A 23 -11.770 25.603 -3.869 1.00 0.00 C ATOM 324 CD LYS A 23 -11.410 25.340 -5.321 1.00 0.00 C ATOM 325 CE LYS A 23 -10.842 26.583 -5.989 1.00 0.00 C ATOM 326 NZ LYS A 23 -11.436 26.809 -7.336 1.00 0.00 N ATOM 0 H LYS A 23 -12.473 25.848 -1.522 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.242 24.257 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.580 27.093 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.653 25.800 -3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.211 24.706 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.525 26.387 -3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.681 24.531 -5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.296 25.008 -5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.030 27.452 -5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.760 26.484 -6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.686 26.777 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.138 26.068 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.899 27.740 -7.359 1.00 0.00 H new ATOM 340 N ALA A 24 -9.537 27.122 -0.370 1.00 0.00 N ATOM 341 CA ALA A 24 -8.530 27.807 0.431 1.00 0.00 C ATOM 342 C ALA A 24 -8.073 26.938 1.598 1.00 0.00 C ATOM 343 O ALA A 24 -6.882 26.874 1.908 1.00 0.00 O ATOM 344 CB ALA A 24 -9.073 29.134 0.940 1.00 0.00 C ATOM 0 H ALA A 24 -10.405 27.643 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.666 28.001 -0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.310 29.634 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.344 29.765 0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.955 28.954 1.555 1.00 0.00 H new ATOM 350 N LEU A 25 -9.024 26.271 2.241 1.00 0.00 N ATOM 351 CA LEU A 25 -8.719 25.405 3.375 1.00 0.00 C ATOM 352 C LEU A 25 -7.933 24.177 2.926 1.00 0.00 C ATOM 353 O LEU A 25 -6.999 23.743 3.603 1.00 0.00 O ATOM 354 CB LEU A 25 -10.009 24.972 4.072 1.00 0.00 C ATOM 355 CG LEU A 25 -9.848 23.987 5.231 1.00 0.00 C ATOM 356 CD1 LEU A 25 -9.299 24.695 6.460 1.00 0.00 C ATOM 357 CD2 LEU A 25 -11.175 23.315 5.549 1.00 0.00 C ATOM 0 H LEU A 25 -10.013 26.313 1.997 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.106 25.969 4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.513 25.863 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.667 24.523 3.328 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.137 23.217 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.191 23.979 7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.326 25.128 6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.986 25.486 6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.041 22.618 6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.908 24.072 5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.528 22.773 4.671 1.00 0.00 H new ATOM 369 N LEU A 26 -8.314 23.623 1.781 1.00 0.00 N ATOM 370 CA LEU A 26 -7.643 22.446 1.240 1.00 0.00 C ATOM 371 C LEU A 26 -6.200 22.766 0.866 1.00 0.00 C ATOM 372 O LEU A 26 -5.316 21.917 0.981 1.00 0.00 O ATOM 373 CB LEU A 26 -8.396 21.923 0.015 1.00 0.00 C ATOM 374 CG LEU A 26 -9.423 20.821 0.278 1.00 0.00 C ATOM 375 CD1 LEU A 26 -10.134 20.436 -1.010 1.00 0.00 C ATOM 376 CD2 LEU A 26 -8.753 19.606 0.903 1.00 0.00 C ATOM 0 H LEU A 26 -9.084 23.970 1.209 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.637 21.675 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.906 22.762 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.666 21.548 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.166 21.202 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.861 19.651 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.647 21.307 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.404 20.074 -1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.499 18.832 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.989 19.223 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.291 19.891 1.848 1.00 0.00 H new ATOM 388 N ALA A 27 -5.968 23.996 0.419 1.00 0.00 N ATOM 389 CA ALA A 27 -4.631 24.429 0.032 1.00 0.00 C ATOM 390 C ALA A 27 -3.749 24.648 1.257 1.00 0.00 C ATOM 391 O ALA A 27 -2.525 24.546 1.177 1.00 0.00 O ATOM 392 CB ALA A 27 -4.709 25.701 -0.799 1.00 0.00 C ATOM 0 H ALA A 27 -6.689 24.710 0.316 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.180 23.641 -0.571 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.704 26.013 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.296 25.513 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.183 26.489 -0.214 1.00 0.00 H new ATOM 398 N ARG A 28 -4.379 24.948 2.388 1.00 0.00 N ATOM 399 CA ARG A 28 -3.650 25.183 3.628 1.00 0.00 C ATOM 400 C ARG A 28 -2.691 24.034 3.921 1.00 0.00 C ATOM 401 O ARG A 28 -1.502 24.248 4.160 1.00 0.00 O ATOM 402 CB ARG A 28 -4.627 25.356 4.793 1.00 0.00 C ATOM 403 CG ARG A 28 -4.048 26.137 5.962 1.00 0.00 C ATOM 404 CD ARG A 28 -5.142 26.655 6.882 1.00 0.00 C ATOM 405 NE ARG A 28 -4.703 27.812 7.657 1.00 0.00 N ATOM 406 CZ ARG A 28 -5.522 28.563 8.385 1.00 0.00 C ATOM 407 NH1 ARG A 28 -6.816 28.279 8.438 1.00 0.00 N ATOM 408 NH2 ARG A 28 -5.047 29.600 9.064 1.00 0.00 N ATOM 0 H ARG A 28 -5.392 25.034 2.471 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.068 26.097 3.511 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.521 25.865 4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.940 24.372 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.368 25.499 6.527 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.460 26.975 5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.016 26.926 6.289 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.451 25.860 7.561 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.713 28.057 7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.185 27.482 7.919 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.443 28.857 8.998 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.052 29.821 9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.677 30.176 9.623 1.00 0.00 H new ATOM 422 N LYS A 29 -3.215 22.813 3.902 1.00 0.00 N ATOM 423 CA LYS A 29 -2.406 21.628 4.165 1.00 0.00 C ATOM 424 C LYS A 29 -1.560 21.267 2.948 1.00 0.00 C ATOM 425 O LYS A 29 -0.596 20.510 3.054 1.00 0.00 O ATOM 426 CB LYS A 29 -3.303 20.447 4.544 1.00 0.00 C ATOM 427 CG LYS A 29 -4.302 20.071 3.464 1.00 0.00 C ATOM 428 CD LYS A 29 -5.524 19.382 4.050 1.00 0.00 C ATOM 429 CE LYS A 29 -5.147 18.093 4.764 1.00 0.00 C ATOM 430 NZ LYS A 29 -4.840 18.324 6.203 1.00 0.00 N ATOM 0 H LYS A 29 -4.197 22.618 3.707 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.738 21.851 4.997 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.677 19.582 4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.844 20.691 5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.611 20.967 2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.824 19.412 2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.022 20.054 4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.237 19.164 3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.965 17.378 4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.281 17.647 4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.115 17.487 6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.821 18.495 6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.370 19.152 6.543 1.00 0.00 H new ATOM 444 N GLY A 30 -1.926 21.815 1.794 1.00 0.00 N ATOM 445 CA GLY A 30 -1.188 21.539 0.575 1.00 0.00 C ATOM 446 C GLY A 30 -1.764 20.369 -0.199 1.00 0.00 C ATOM 447 O GLY A 30 -1.094 19.794 -1.056 1.00 0.00 O ATOM 0 H GLY A 30 -2.720 22.445 1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.192 22.427 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.148 21.330 0.823 1.00 0.00 H new ATOM 451 N ALA A 31 -3.008 20.016 0.105 1.00 0.00 N ATOM 452 CA ALA A 31 -3.673 18.907 -0.568 1.00 0.00 C ATOM 453 C ALA A 31 -4.007 19.263 -2.013 1.00 0.00 C ATOM 454 O ALA A 31 -4.814 20.156 -2.271 1.00 0.00 O ATOM 455 CB ALA A 31 -4.935 18.512 0.185 1.00 0.00 C ATOM 0 H ALA A 31 -3.576 20.482 0.813 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.989 18.058 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.421 17.683 -0.329 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.674 18.207 1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.616 19.362 0.226 1.00 0.00 H new ATOM 461 N GLU A 32 -3.381 18.560 -2.951 1.00 0.00 N ATOM 462 CA GLU A 32 -3.612 18.804 -4.370 1.00 0.00 C ATOM 463 C GLU A 32 -4.956 18.230 -4.809 1.00 0.00 C ATOM 464 O GLU A 32 -5.301 17.098 -4.469 1.00 0.00 O ATOM 465 CB GLU A 32 -2.486 18.192 -5.206 1.00 0.00 C ATOM 466 CG GLU A 32 -1.131 18.838 -4.967 1.00 0.00 C ATOM 467 CD GLU A 32 0.023 17.899 -5.262 1.00 0.00 C ATOM 468 OE1 GLU A 32 0.391 17.765 -6.448 1.00 0.00 O ATOM 469 OE2 GLU A 32 0.558 17.299 -4.307 1.00 0.00 O ATOM 0 H GLU A 32 -2.710 17.817 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.627 19.882 -4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.416 17.127 -4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.740 18.280 -6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.041 19.726 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.069 19.170 -3.931 1.00 0.00 H new ATOM 476 N PHE A 33 -5.710 19.019 -5.567 1.00 0.00 N ATOM 477 CA PHE A 33 -7.017 18.591 -6.052 1.00 0.00 C ATOM 478 C PHE A 33 -7.308 19.185 -7.427 1.00 0.00 C ATOM 479 O PHE A 33 -6.826 20.266 -7.763 1.00 0.00 O ATOM 480 CB PHE A 33 -8.111 19.003 -5.064 1.00 0.00 C ATOM 481 CG PHE A 33 -8.130 20.475 -4.770 1.00 0.00 C ATOM 482 CD1 PHE A 33 -8.718 21.365 -5.656 1.00 0.00 C ATOM 483 CD2 PHE A 33 -7.561 20.971 -3.609 1.00 0.00 C ATOM 484 CE1 PHE A 33 -8.737 22.720 -5.388 1.00 0.00 C ATOM 485 CE2 PHE A 33 -7.578 22.326 -3.335 1.00 0.00 C ATOM 486 CZ PHE A 33 -8.166 23.202 -4.227 1.00 0.00 C ATOM 0 H PHE A 33 -5.439 19.958 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.006 17.505 -6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.081 18.708 -5.465 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.972 18.456 -4.131 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -9.166 20.995 -6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.098 20.291 -2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.198 23.402 -6.087 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.132 22.699 -2.425 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.179 24.261 -4.017 1.00 0.00 H new ATOM 496 N ASN A 34 -8.101 18.469 -8.218 1.00 0.00 N ATOM 497 CA ASN A 34 -8.456 18.924 -9.558 1.00 0.00 C ATOM 498 C ASN A 34 -9.702 19.803 -9.521 1.00 0.00 C ATOM 499 O ASN A 34 -10.772 19.362 -9.102 1.00 0.00 O ATOM 500 CB ASN A 34 -8.689 17.726 -10.480 1.00 0.00 C ATOM 501 CG ASN A 34 -8.529 18.084 -11.945 1.00 0.00 C ATOM 502 OD1 ASN A 34 -9.541 17.768 -12.745 1.00 0.00 O flip ATOM 503 ND2 ASN A 34 -7.509 18.640 -12.352 1.00 0.00 N flip ATOM 0 H ASN A 34 -8.510 17.572 -7.955 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.627 19.516 -9.946 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.987 16.932 -10.224 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.691 17.332 -10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.756 18.864 -11.701 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.417 18.877 -13.340 1.00 0.00 H new ATOM 510 N GLU A 35 -9.555 21.048 -9.964 1.00 0.00 N ATOM 511 CA GLU A 35 -10.670 21.988 -9.982 1.00 0.00 C ATOM 512 C GLU A 35 -11.486 21.841 -11.263 1.00 0.00 C ATOM 513 O GLU A 35 -10.947 21.924 -12.367 1.00 0.00 O ATOM 514 CB GLU A 35 -10.157 23.424 -9.853 1.00 0.00 C ATOM 515 CG GLU A 35 -11.264 24.462 -9.790 1.00 0.00 C ATOM 516 CD GLU A 35 -10.846 25.796 -10.379 1.00 0.00 C ATOM 517 OE1 GLU A 35 -9.626 26.037 -10.494 1.00 0.00 O ATOM 518 OE2 GLU A 35 -11.739 26.598 -10.725 1.00 0.00 O ATOM 0 H GLU A 35 -8.676 21.429 -10.315 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.316 21.762 -9.133 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.545 23.503 -8.955 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.509 23.647 -10.701 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.137 24.090 -10.326 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.564 24.605 -8.752 1.00 0.00 H new ATOM 525 N ILE A 36 -12.787 21.622 -11.107 1.00 0.00 N ATOM 526 CA ILE A 36 -13.677 21.464 -12.250 1.00 0.00 C ATOM 527 C ILE A 36 -14.942 22.299 -12.082 1.00 0.00 C ATOM 528 O ILE A 36 -15.416 22.507 -10.965 1.00 0.00 O ATOM 529 CB ILE A 36 -14.072 19.990 -12.456 1.00 0.00 C ATOM 530 CG1 ILE A 36 -12.823 19.110 -12.535 1.00 0.00 C ATOM 531 CG2 ILE A 36 -14.914 19.838 -13.715 1.00 0.00 C ATOM 532 CD1 ILE A 36 -13.129 17.640 -12.712 1.00 0.00 C ATOM 0 H ILE A 36 -13.248 21.550 -10.200 1.00 0.00 H new ATOM 0 HA ILE A 36 -13.130 21.811 -13.126 1.00 0.00 H new ATOM 0 HB ILE A 36 -14.668 19.667 -11.602 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -12.204 19.446 -13.366 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.236 19.244 -11.626 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.185 18.791 -13.847 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.819 20.438 -13.622 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.341 20.176 -14.579 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.197 17.077 -12.760 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.722 17.288 -11.868 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.689 17.494 -13.636 1.00 0.00 H new ATOM 544 N ASP A 37 -15.484 22.774 -13.198 1.00 0.00 N ATOM 545 CA ASP A 37 -16.696 23.584 -13.175 1.00 0.00 C ATOM 546 C ASP A 37 -17.939 22.705 -13.275 1.00 0.00 C ATOM 547 O ASP A 37 -17.912 21.643 -13.895 1.00 0.00 O ATOM 548 CB ASP A 37 -16.679 24.598 -14.320 1.00 0.00 C ATOM 549 CG ASP A 37 -16.301 23.967 -15.646 1.00 0.00 C ATOM 550 OD1 ASP A 37 -16.802 22.862 -15.942 1.00 0.00 O ATOM 551 OD2 ASP A 37 -15.504 24.579 -16.388 1.00 0.00 O ATOM 0 H ASP A 37 -15.103 22.612 -14.130 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.728 24.120 -12.226 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -17.663 25.059 -14.408 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.973 25.395 -14.086 1.00 0.00 H new ATOM 556 N ALA A 38 -19.027 23.156 -12.660 1.00 0.00 N ATOM 557 CA ALA A 38 -20.280 22.412 -12.681 1.00 0.00 C ATOM 558 C ALA A 38 -21.346 23.154 -13.479 1.00 0.00 C ATOM 559 O ALA A 38 -22.101 22.548 -14.239 1.00 0.00 O ATOM 560 CB ALA A 38 -20.765 22.154 -11.261 1.00 0.00 C ATOM 0 H ALA A 38 -19.066 24.033 -12.141 1.00 0.00 H new ATOM 0 HA ALA A 38 -20.097 21.455 -13.170 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -21.702 21.598 -11.292 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -20.016 21.575 -10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -20.925 23.105 -10.753 1.00 0.00 H new ATOM 566 N SER A 39 -21.403 24.470 -13.301 1.00 0.00 N ATOM 567 CA SER A 39 -22.380 25.295 -14.002 1.00 0.00 C ATOM 568 C SER A 39 -22.097 25.318 -15.501 1.00 0.00 C ATOM 569 O SER A 39 -22.935 25.742 -16.296 1.00 0.00 O ATOM 570 CB SER A 39 -22.367 26.721 -13.447 1.00 0.00 C ATOM 571 OG SER A 39 -22.861 27.644 -14.402 1.00 0.00 O ATOM 0 H SER A 39 -20.784 24.988 -12.677 1.00 0.00 H new ATOM 0 HA SER A 39 -23.367 24.860 -13.843 1.00 0.00 H new ATOM 0 HB2 SER A 39 -22.974 26.768 -12.543 1.00 0.00 H new ATOM 0 HB3 SER A 39 -21.351 26.995 -13.163 1.00 0.00 H new ATOM 0 HG SER A 39 -23.215 27.157 -15.175 1.00 0.00 H new ATOM 577 N ALA A 40 -20.909 24.857 -15.879 1.00 0.00 N ATOM 578 CA ALA A 40 -20.515 24.823 -17.282 1.00 0.00 C ATOM 579 C ALA A 40 -21.576 24.135 -18.134 1.00 0.00 C ATOM 580 O ALA A 40 -21.882 24.578 -19.242 1.00 0.00 O ATOM 581 CB ALA A 40 -19.174 24.119 -17.436 1.00 0.00 C ATOM 0 H ALA A 40 -20.203 24.502 -15.234 1.00 0.00 H new ATOM 0 HA ALA A 40 -20.417 25.851 -17.631 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.892 24.101 -18.489 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -18.415 24.654 -16.866 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.254 23.098 -17.064 1.00 0.00 H new ATOM 587 N THR A 41 -22.137 23.049 -17.610 1.00 0.00 N ATOM 588 CA THR A 41 -23.163 22.299 -18.324 1.00 0.00 C ATOM 589 C THR A 41 -24.374 22.043 -17.435 1.00 0.00 C ATOM 590 O THR A 41 -24.295 22.090 -16.207 1.00 0.00 O ATOM 591 CB THR A 41 -22.621 20.951 -18.834 1.00 0.00 C ATOM 592 OG1 THR A 41 -21.489 20.551 -18.053 1.00 0.00 O ATOM 593 CG2 THR A 41 -22.224 21.047 -20.299 1.00 0.00 C ATOM 0 H THR A 41 -21.898 22.670 -16.694 1.00 0.00 H new ATOM 0 HA THR A 41 -23.463 22.907 -19.177 1.00 0.00 H new ATOM 0 HB THR A 41 -23.411 20.206 -18.736 1.00 0.00 H new ATOM 0 HG1 THR A 41 -20.679 20.969 -18.413 1.00 0.00 H new ATOM 0 HG21 THR A 41 -21.844 20.083 -20.637 1.00 0.00 H new ATOM 0 HG22 THR A 41 -23.094 21.323 -20.894 1.00 0.00 H new ATOM 0 HG23 THR A 41 -21.449 21.804 -20.417 1.00 0.00 H new ATOM 601 N PRO A 42 -25.525 21.765 -18.066 1.00 0.00 N ATOM 602 CA PRO A 42 -26.775 21.494 -17.351 1.00 0.00 C ATOM 603 C PRO A 42 -26.744 20.160 -16.613 1.00 0.00 C ATOM 604 O PRO A 42 -27.193 20.062 -15.471 1.00 0.00 O ATOM 605 CB PRO A 42 -27.823 21.464 -18.466 1.00 0.00 C ATOM 606 CG PRO A 42 -27.061 21.091 -19.691 1.00 0.00 C ATOM 607 CD PRO A 42 -25.693 21.693 -19.527 1.00 0.00 C ATOM 0 HA PRO A 42 -26.973 22.240 -16.581 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -28.608 20.739 -18.252 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -28.307 22.434 -18.581 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -27.000 20.008 -19.798 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -27.551 21.473 -20.587 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.924 21.075 -19.990 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -25.630 22.679 -19.988 1.00 0.00 H new ATOM 615 N GLU A 43 -26.210 19.137 -17.272 1.00 0.00 N ATOM 616 CA GLU A 43 -26.121 17.809 -16.677 1.00 0.00 C ATOM 617 C GLU A 43 -25.141 17.801 -15.508 1.00 0.00 C ATOM 618 O GLU A 43 -25.458 17.316 -14.420 1.00 0.00 O ATOM 619 CB GLU A 43 -25.688 16.783 -17.727 1.00 0.00 C ATOM 620 CG GLU A 43 -25.364 15.417 -17.146 1.00 0.00 C ATOM 621 CD GLU A 43 -25.018 14.396 -18.213 1.00 0.00 C ATOM 622 OE1 GLU A 43 -24.835 14.797 -19.381 1.00 0.00 O ATOM 623 OE2 GLU A 43 -24.931 13.196 -17.878 1.00 0.00 O ATOM 0 H GLU A 43 -25.833 19.202 -18.217 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.109 17.540 -16.302 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -26.482 16.675 -18.466 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -24.812 17.162 -18.253 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -24.528 15.510 -16.453 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -26.217 15.060 -16.570 1.00 0.00 H new ATOM 630 N LEU A 44 -23.949 18.341 -15.739 1.00 0.00 N ATOM 631 CA LEU A 44 -22.921 18.396 -14.706 1.00 0.00 C ATOM 632 C LEU A 44 -23.381 19.245 -13.525 1.00 0.00 C ATOM 633 O LEU A 44 -22.957 19.029 -12.390 1.00 0.00 O ATOM 634 CB LEU A 44 -21.622 18.964 -15.281 1.00 0.00 C ATOM 635 CG LEU A 44 -20.769 17.992 -16.097 1.00 0.00 C ATOM 636 CD1 LEU A 44 -19.530 18.691 -16.634 1.00 0.00 C ATOM 637 CD2 LEU A 44 -20.381 16.786 -15.255 1.00 0.00 C ATOM 0 H LEU A 44 -23.671 18.747 -16.633 1.00 0.00 H new ATOM 0 HA LEU A 44 -22.741 17.381 -14.352 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -21.870 19.817 -15.912 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.018 19.343 -14.457 1.00 0.00 H new ATOM 0 HG LEU A 44 -21.360 17.643 -16.944 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -18.935 17.984 -17.212 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -19.829 19.521 -17.273 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -18.936 19.069 -15.802 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.774 16.105 -15.852 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -19.809 17.116 -14.388 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -21.281 16.271 -14.920 1.00 0.00 H new ATOM 649 N ARG A 45 -24.253 20.210 -13.800 1.00 0.00 N ATOM 650 CA ARG A 45 -24.772 21.091 -12.761 1.00 0.00 C ATOM 651 C ARG A 45 -25.955 20.447 -12.043 1.00 0.00 C ATOM 652 O ARG A 45 -26.142 20.636 -10.842 1.00 0.00 O ATOM 653 CB ARG A 45 -25.195 22.432 -13.363 1.00 0.00 C ATOM 654 CG ARG A 45 -25.750 23.410 -12.341 1.00 0.00 C ATOM 655 CD ARG A 45 -26.182 24.714 -12.995 1.00 0.00 C ATOM 656 NE ARG A 45 -27.475 24.589 -13.662 1.00 0.00 N ATOM 657 CZ ARG A 45 -28.103 25.606 -14.244 1.00 0.00 C ATOM 658 NH1 ARG A 45 -27.558 26.814 -14.241 1.00 0.00 N ATOM 659 NH2 ARG A 45 -29.277 25.413 -14.830 1.00 0.00 N ATOM 0 H ARG A 45 -24.615 20.401 -14.734 1.00 0.00 H new ATOM 0 HA ARG A 45 -23.977 21.262 -12.035 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -24.336 22.885 -13.858 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -25.949 22.255 -14.130 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -26.600 22.959 -11.829 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -24.993 23.615 -11.583 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -26.238 25.497 -12.239 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -25.429 25.023 -13.719 1.00 0.00 H new ATOM 0 HE ARG A 45 -27.920 23.672 -13.682 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -26.655 26.965 -13.792 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -28.042 27.593 -14.688 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -29.698 24.484 -14.834 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -29.759 26.193 -15.276 1.00 0.00 H new ATOM 673 N ALA A 46 -26.750 19.687 -12.789 1.00 0.00 N ATOM 674 CA ALA A 46 -27.913 19.015 -12.224 1.00 0.00 C ATOM 675 C ALA A 46 -27.495 17.933 -11.234 1.00 0.00 C ATOM 676 O ALA A 46 -27.989 17.885 -10.109 1.00 0.00 O ATOM 677 CB ALA A 46 -28.767 18.417 -13.333 1.00 0.00 C ATOM 0 H ALA A 46 -26.610 19.522 -13.786 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.503 19.756 -11.684 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -29.632 17.918 -12.897 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -29.104 19.210 -14.001 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -28.177 17.694 -13.897 1.00 0.00 H new ATOM 683 N GLU A 47 -26.583 17.066 -11.663 1.00 0.00 N ATOM 684 CA GLU A 47 -26.101 15.984 -10.813 1.00 0.00 C ATOM 685 C GLU A 47 -25.619 16.521 -9.468 1.00 0.00 C ATOM 686 O GLU A 47 -25.738 15.852 -8.442 1.00 0.00 O ATOM 687 CB GLU A 47 -24.967 15.226 -11.507 1.00 0.00 C ATOM 688 CG GLU A 47 -23.817 16.119 -11.943 1.00 0.00 C ATOM 689 CD GLU A 47 -22.829 15.400 -12.842 1.00 0.00 C ATOM 690 OE1 GLU A 47 -23.233 14.967 -13.941 1.00 0.00 O ATOM 691 OE2 GLU A 47 -21.652 15.272 -12.445 1.00 0.00 O ATOM 0 H GLU A 47 -26.164 17.092 -12.593 1.00 0.00 H new ATOM 0 HA GLU A 47 -26.931 15.300 -10.636 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -24.586 14.461 -10.831 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -25.367 14.710 -12.380 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -24.215 16.987 -12.468 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -23.296 16.491 -11.061 1.00 0.00 H new ATOM 698 N MET A 48 -25.075 17.733 -9.483 1.00 0.00 N ATOM 699 CA MET A 48 -24.576 18.361 -8.265 1.00 0.00 C ATOM 700 C MET A 48 -25.710 18.606 -7.275 1.00 0.00 C ATOM 701 O MET A 48 -25.545 18.418 -6.070 1.00 0.00 O ATOM 702 CB MET A 48 -23.878 19.682 -8.595 1.00 0.00 C ATOM 703 CG MET A 48 -23.687 20.587 -7.389 1.00 0.00 C ATOM 704 SD MET A 48 -24.921 21.899 -7.303 1.00 0.00 S ATOM 705 CE MET A 48 -25.670 21.554 -5.713 1.00 0.00 C ATOM 0 H MET A 48 -24.968 18.300 -10.324 1.00 0.00 H new ATOM 0 HA MET A 48 -23.857 17.683 -7.806 1.00 0.00 H new ATOM 0 HB2 MET A 48 -22.904 19.469 -9.036 1.00 0.00 H new ATOM 0 HB3 MET A 48 -24.460 20.213 -9.348 1.00 0.00 H new ATOM 0 HG2 MET A 48 -23.735 19.988 -6.479 1.00 0.00 H new ATOM 0 HG3 MET A 48 -22.692 21.031 -7.427 1.00 0.00 H new ATOM 0 HE1 MET A 48 -26.743 21.735 -5.769 1.00 0.00 H new ATOM 0 HE2 MET A 48 -25.491 20.513 -5.445 1.00 0.00 H new ATOM 0 HE3 MET A 48 -25.232 22.204 -4.956 1.00 0.00 H new ATOM 715 N GLN A 49 -26.860 19.026 -7.792 1.00 0.00 N ATOM 716 CA GLN A 49 -28.021 19.297 -6.953 1.00 0.00 C ATOM 717 C GLN A 49 -28.714 18.001 -6.547 1.00 0.00 C ATOM 718 O GLN A 49 -29.487 17.973 -5.590 1.00 0.00 O ATOM 719 CB GLN A 49 -29.006 20.208 -7.687 1.00 0.00 C ATOM 720 CG GLN A 49 -28.337 21.347 -8.440 1.00 0.00 C ATOM 721 CD GLN A 49 -29.334 22.345 -8.996 1.00 0.00 C ATOM 722 OE1 GLN A 49 -30.490 22.007 -9.253 1.00 0.00 O ATOM 723 NE2 GLN A 49 -28.891 23.582 -9.183 1.00 0.00 N ATOM 0 H GLN A 49 -27.013 19.186 -8.788 1.00 0.00 H new ATOM 0 HA GLN A 49 -27.675 19.801 -6.050 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -29.586 19.610 -8.390 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -29.710 20.624 -6.966 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -27.647 21.863 -7.772 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -27.744 20.938 -9.258 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -27.925 23.817 -8.956 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -29.517 24.297 -9.554 1.00 0.00 H new ATOM 732 N GLU A 50 -28.433 16.930 -7.282 1.00 0.00 N ATOM 733 CA GLU A 50 -29.031 15.631 -6.998 1.00 0.00 C ATOM 734 C GLU A 50 -28.436 15.023 -5.731 1.00 0.00 C ATOM 735 O GLU A 50 -29.027 14.131 -5.121 1.00 0.00 O ATOM 736 CB GLU A 50 -28.823 14.680 -8.179 1.00 0.00 C ATOM 737 CG GLU A 50 -29.567 13.363 -8.038 1.00 0.00 C ATOM 738 CD GLU A 50 -29.280 12.405 -9.178 1.00 0.00 C ATOM 739 OE1 GLU A 50 -28.216 12.545 -9.817 1.00 0.00 O ATOM 740 OE2 GLU A 50 -30.119 11.515 -9.430 1.00 0.00 O ATOM 0 H GLU A 50 -27.795 16.936 -8.078 1.00 0.00 H new ATOM 0 HA GLU A 50 -30.100 15.778 -6.842 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -29.147 15.175 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -27.758 14.476 -8.287 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -29.290 12.893 -7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -30.638 13.558 -7.994 1.00 0.00 H new ATOM 747 N ARG A 51 -27.263 15.511 -5.342 1.00 0.00 N ATOM 748 CA ARG A 51 -26.587 15.016 -4.149 1.00 0.00 C ATOM 749 C ARG A 51 -26.686 16.025 -3.009 1.00 0.00 C ATOM 750 O ARG A 51 -26.881 15.653 -1.852 1.00 0.00 O ATOM 751 CB ARG A 51 -25.118 14.720 -4.456 1.00 0.00 C ATOM 752 CG ARG A 51 -24.917 13.819 -5.663 1.00 0.00 C ATOM 753 CD ARG A 51 -23.477 13.850 -6.148 1.00 0.00 C ATOM 754 NE ARG A 51 -23.059 12.566 -6.706 1.00 0.00 N ATOM 755 CZ ARG A 51 -22.867 11.474 -5.973 1.00 0.00 C ATOM 756 NH1 ARG A 51 -23.055 11.511 -4.661 1.00 0.00 N ATOM 757 NH2 ARG A 51 -22.487 10.343 -6.553 1.00 0.00 N ATOM 0 H ARG A 51 -26.761 16.249 -5.836 1.00 0.00 H new ATOM 0 HA ARG A 51 -27.080 14.095 -3.839 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -24.594 15.661 -4.625 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -24.661 14.252 -3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -25.193 12.797 -5.405 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -25.580 14.135 -6.468 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -23.366 14.627 -6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -22.821 14.116 -5.319 1.00 0.00 H new ATOM 0 HE ARG A 51 -22.906 12.504 -7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -23.348 12.379 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -22.907 10.672 -4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -22.342 10.311 -7.562 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -22.340 9.505 -5.990 1.00 0.00 H new ATOM 771 N SER A 52 -26.551 17.304 -3.344 1.00 0.00 N ATOM 772 CA SER A 52 -26.621 18.367 -2.348 1.00 0.00 C ATOM 773 C SER A 52 -28.071 18.697 -2.007 1.00 0.00 C ATOM 774 O SER A 52 -28.401 18.980 -0.856 1.00 0.00 O ATOM 775 CB SER A 52 -25.907 19.620 -2.858 1.00 0.00 C ATOM 776 OG SER A 52 -26.838 20.614 -3.249 1.00 0.00 O ATOM 0 H SER A 52 -26.393 17.629 -4.298 1.00 0.00 H new ATOM 0 HA SER A 52 -26.124 18.017 -1.443 1.00 0.00 H new ATOM 0 HB2 SER A 52 -25.256 20.014 -2.078 1.00 0.00 H new ATOM 0 HB3 SER A 52 -25.270 19.361 -3.704 1.00 0.00 H new ATOM 0 HG SER A 52 -26.447 21.502 -3.110 1.00 0.00 H new ATOM 782 N GLY A 53 -28.933 18.660 -3.018 1.00 0.00 N ATOM 783 CA GLY A 53 -30.338 18.957 -2.807 1.00 0.00 C ATOM 784 C GLY A 53 -30.573 20.406 -2.426 1.00 0.00 C ATOM 785 O GLY A 53 -31.415 20.703 -1.578 1.00 0.00 O ATOM 0 H GLY A 53 -28.684 18.430 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -30.895 18.728 -3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -30.729 18.310 -2.022 1.00 0.00 H new ATOM 789 N ARG A 54 -29.826 21.309 -3.052 1.00 0.00 N ATOM 790 CA ARG A 54 -29.956 22.734 -2.772 1.00 0.00 C ATOM 791 C ARG A 54 -29.563 23.565 -3.989 1.00 0.00 C ATOM 792 O ARG A 54 -29.147 23.026 -5.013 1.00 0.00 O ATOM 793 CB ARG A 54 -29.085 23.121 -1.574 1.00 0.00 C ATOM 794 CG ARG A 54 -29.491 22.436 -0.280 1.00 0.00 C ATOM 795 CD ARG A 54 -28.586 22.841 0.873 1.00 0.00 C ATOM 796 NE ARG A 54 -29.053 24.057 1.534 1.00 0.00 N ATOM 797 CZ ARG A 54 -30.164 24.118 2.259 1.00 0.00 C ATOM 798 NH1 ARG A 54 -30.919 23.039 2.414 1.00 0.00 N ATOM 799 NH2 ARG A 54 -30.523 25.261 2.830 1.00 0.00 N ATOM 0 H ARG A 54 -29.125 21.080 -3.756 1.00 0.00 H new ATOM 0 HA ARG A 54 -31.000 22.939 -2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -28.047 22.874 -1.796 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -29.133 24.201 -1.434 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -30.523 22.691 -0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -29.452 21.355 -0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -28.538 22.029 1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -27.573 22.996 0.502 1.00 0.00 H new ATOM 0 HE ARG A 54 -28.496 24.905 1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -30.647 22.159 1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -31.772 23.089 2.971 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -29.945 26.093 2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -31.376 25.307 3.387 1.00 0.00 H new ATOM 813 N ASN A 55 -29.700 24.882 -3.869 1.00 0.00 N ATOM 814 CA ASN A 55 -29.360 25.788 -4.961 1.00 0.00 C ATOM 815 C ASN A 55 -28.059 25.365 -5.635 1.00 0.00 C ATOM 816 O ASN A 55 -28.059 24.897 -6.774 1.00 0.00 O ATOM 817 CB ASN A 55 -29.236 27.222 -4.441 1.00 0.00 C ATOM 818 CG ASN A 55 -28.727 27.277 -3.013 1.00 0.00 C ATOM 819 OD1 ASN A 55 -27.520 27.278 -2.773 1.00 0.00 O ATOM 820 ND2 ASN A 55 -29.648 27.323 -2.058 1.00 0.00 N ATOM 0 H ASN A 55 -30.044 25.345 -3.028 1.00 0.00 H new ATOM 0 HA ASN A 55 -30.161 25.744 -5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -28.560 27.783 -5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -30.209 27.711 -4.496 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -29.366 27.361 -1.079 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -30.638 27.320 -2.304 1.00 0.00 H new ATOM 827 N THR A 56 -26.948 25.531 -4.922 1.00 0.00 N ATOM 828 CA THR A 56 -25.640 25.167 -5.451 1.00 0.00 C ATOM 829 C THR A 56 -24.560 25.298 -4.383 1.00 0.00 C ATOM 830 O THR A 56 -24.484 26.308 -3.683 1.00 0.00 O ATOM 831 CB THR A 56 -25.259 26.042 -6.660 1.00 0.00 C ATOM 832 OG1 THR A 56 -26.128 27.178 -6.736 1.00 0.00 O ATOM 833 CG2 THR A 56 -25.343 25.246 -7.953 1.00 0.00 C ATOM 0 H THR A 56 -26.929 25.915 -3.977 1.00 0.00 H new ATOM 0 HA THR A 56 -25.707 24.127 -5.772 1.00 0.00 H new ATOM 0 HB THR A 56 -24.231 26.379 -6.526 1.00 0.00 H new ATOM 0 HG1 THR A 56 -25.878 27.730 -7.506 1.00 0.00 H new ATOM 0 HG21 THR A 56 -25.069 25.885 -8.792 1.00 0.00 H new ATOM 0 HG22 THR A 56 -24.659 24.399 -7.904 1.00 0.00 H new ATOM 0 HG23 THR A 56 -26.361 24.882 -8.091 1.00 0.00 H new ATOM 841 N PHE A 57 -23.726 24.270 -4.262 1.00 0.00 N ATOM 842 CA PHE A 57 -22.649 24.271 -3.279 1.00 0.00 C ATOM 843 C PHE A 57 -21.429 23.522 -3.807 1.00 0.00 C ATOM 844 O PHE A 57 -21.516 22.723 -4.740 1.00 0.00 O ATOM 845 CB PHE A 57 -23.125 23.634 -1.971 1.00 0.00 C ATOM 846 CG PHE A 57 -22.734 22.191 -1.830 1.00 0.00 C ATOM 847 CD1 PHE A 57 -23.118 21.260 -2.781 1.00 0.00 C ATOM 848 CD2 PHE A 57 -21.983 21.766 -0.746 1.00 0.00 C ATOM 849 CE1 PHE A 57 -22.761 19.931 -2.653 1.00 0.00 C ATOM 850 CE2 PHE A 57 -21.622 20.438 -0.613 1.00 0.00 C ATOM 851 CZ PHE A 57 -22.010 19.520 -1.568 1.00 0.00 C ATOM 0 H PHE A 57 -23.776 23.426 -4.832 1.00 0.00 H new ATOM 0 HA PHE A 57 -22.364 25.306 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -22.716 24.197 -1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -24.210 23.716 -1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -23.703 21.576 -3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -21.676 22.480 0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -23.069 19.214 -3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -21.037 20.119 0.237 1.00 0.00 H new ATOM 0 HZ PHE A 57 -21.727 18.483 -1.468 1.00 0.00 H new ATOM 861 N PRO A 58 -20.264 23.787 -3.198 1.00 0.00 N ATOM 862 CA PRO A 58 -19.003 23.149 -3.590 1.00 0.00 C ATOM 863 C PRO A 58 -18.967 21.668 -3.231 1.00 0.00 C ATOM 864 O PRO A 58 -19.290 21.285 -2.108 1.00 0.00 O ATOM 865 CB PRO A 58 -17.952 23.920 -2.788 1.00 0.00 C ATOM 866 CG PRO A 58 -18.688 24.446 -1.605 1.00 0.00 C ATOM 867 CD PRO A 58 -20.087 24.728 -2.080 1.00 0.00 C ATOM 0 HA PRO A 58 -18.846 23.183 -4.668 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.130 23.271 -2.486 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.520 24.729 -3.377 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.691 23.720 -0.792 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.216 25.351 -1.222 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -20.821 24.558 -1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -20.201 25.763 -2.404 1.00 0.00 H new ATOM 875 N GLN A 59 -18.571 20.840 -4.193 1.00 0.00 N ATOM 876 CA GLN A 59 -18.493 19.400 -3.977 1.00 0.00 C ATOM 877 C GLN A 59 -17.041 18.939 -3.899 1.00 0.00 C ATOM 878 O GLN A 59 -16.228 19.269 -4.763 1.00 0.00 O ATOM 879 CB GLN A 59 -19.217 18.655 -5.099 1.00 0.00 C ATOM 880 CG GLN A 59 -20.579 19.240 -5.438 1.00 0.00 C ATOM 881 CD GLN A 59 -20.546 20.118 -6.673 1.00 0.00 C ATOM 882 OE1 GLN A 59 -20.795 19.653 -7.786 1.00 0.00 O ATOM 883 NE2 GLN A 59 -20.237 21.395 -6.484 1.00 0.00 N ATOM 0 H GLN A 59 -18.299 21.142 -5.129 1.00 0.00 H new ATOM 0 HA GLN A 59 -18.979 19.174 -3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -18.593 18.666 -5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.341 17.611 -4.810 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -21.290 18.429 -5.593 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -20.940 19.824 -4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -20.038 21.738 -5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -20.199 22.033 -7.279 1.00 0.00 H new ATOM 892 N ILE A 60 -16.723 18.176 -2.859 1.00 0.00 N ATOM 893 CA ILE A 60 -15.369 17.670 -2.669 1.00 0.00 C ATOM 894 C ILE A 60 -15.336 16.147 -2.746 1.00 0.00 C ATOM 895 O ILE A 60 -15.694 15.459 -1.790 1.00 0.00 O ATOM 896 CB ILE A 60 -14.785 18.117 -1.316 1.00 0.00 C ATOM 897 CG1 ILE A 60 -14.443 19.608 -1.352 1.00 0.00 C ATOM 898 CG2 ILE A 60 -13.553 17.294 -0.973 1.00 0.00 C ATOM 899 CD1 ILE A 60 -15.654 20.509 -1.243 1.00 0.00 C ATOM 0 H ILE A 60 -17.384 17.895 -2.135 1.00 0.00 H new ATOM 0 HA ILE A 60 -14.761 18.086 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.534 17.953 -0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.757 19.835 -0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.918 19.830 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -13.152 17.622 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -13.825 16.240 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -12.798 17.429 -1.747 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -15.336 21.551 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.331 20.310 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -16.168 20.316 -0.301 1.00 0.00 H new ATOM 911 N PHE A 61 -14.901 15.627 -3.889 1.00 0.00 N ATOM 912 CA PHE A 61 -14.820 14.185 -4.091 1.00 0.00 C ATOM 913 C PHE A 61 -13.421 13.669 -3.768 1.00 0.00 C ATOM 914 O PHE A 61 -12.440 14.068 -4.397 1.00 0.00 O ATOM 915 CB PHE A 61 -15.187 13.829 -5.533 1.00 0.00 C ATOM 916 CG PHE A 61 -16.440 14.502 -6.016 1.00 0.00 C ATOM 917 CD1 PHE A 61 -17.620 14.396 -5.299 1.00 0.00 C ATOM 918 CD2 PHE A 61 -16.437 15.241 -7.188 1.00 0.00 C ATOM 919 CE1 PHE A 61 -18.774 15.015 -5.740 1.00 0.00 C ATOM 920 CE2 PHE A 61 -17.588 15.862 -7.635 1.00 0.00 C ATOM 921 CZ PHE A 61 -18.758 15.748 -6.911 1.00 0.00 C ATOM 0 H PHE A 61 -14.599 16.183 -4.689 1.00 0.00 H new ATOM 0 HA PHE A 61 -15.529 13.708 -3.415 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -14.361 14.104 -6.188 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -15.311 12.749 -5.612 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -17.639 13.823 -4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -15.525 15.333 -7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -19.687 14.926 -5.170 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -17.572 16.436 -8.550 1.00 0.00 H new ATOM 0 HZ PHE A 61 -19.659 16.231 -7.259 1.00 0.00 H new ATOM 931 N ILE A 62 -13.337 12.781 -2.783 1.00 0.00 N ATOM 932 CA ILE A 62 -12.059 12.210 -2.377 1.00 0.00 C ATOM 933 C ILE A 62 -12.078 10.689 -2.482 1.00 0.00 C ATOM 934 O ILE A 62 -12.827 10.016 -1.775 1.00 0.00 O ATOM 935 CB ILE A 62 -11.697 12.609 -0.934 1.00 0.00 C ATOM 936 CG1 ILE A 62 -11.578 14.130 -0.816 1.00 0.00 C ATOM 937 CG2 ILE A 62 -10.401 11.935 -0.507 1.00 0.00 C ATOM 938 CD1 ILE A 62 -11.206 14.601 0.572 1.00 0.00 C ATOM 0 H ILE A 62 -14.139 12.442 -2.252 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.305 12.609 -3.056 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.493 12.274 -0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.828 14.484 -1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.527 14.584 -1.103 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.159 12.227 0.515 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.520 10.853 -0.557 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.595 12.242 -1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.139 15.689 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.967 14.278 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.243 14.176 0.854 1.00 0.00 H new ATOM 950 N GLY A 63 -11.246 10.152 -3.371 1.00 0.00 N ATOM 951 CA GLY A 63 -11.182 8.714 -3.552 1.00 0.00 C ATOM 952 C GLY A 63 -12.481 8.137 -4.080 1.00 0.00 C ATOM 953 O GLY A 63 -12.832 8.342 -5.241 1.00 0.00 O ATOM 0 H GLY A 63 -10.616 10.688 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.374 8.474 -4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.939 8.242 -2.600 1.00 0.00 H new ATOM 957 N SER A 64 -13.195 7.413 -3.225 1.00 0.00 N ATOM 958 CA SER A 64 -14.460 6.800 -3.613 1.00 0.00 C ATOM 959 C SER A 64 -15.602 7.310 -2.740 1.00 0.00 C ATOM 960 O SER A 64 -16.706 6.765 -2.759 1.00 0.00 O ATOM 961 CB SER A 64 -14.365 5.276 -3.510 1.00 0.00 C ATOM 962 OG SER A 64 -15.568 4.660 -3.936 1.00 0.00 O ATOM 0 H SER A 64 -12.919 7.236 -2.259 1.00 0.00 H new ATOM 0 HA SER A 64 -14.666 7.075 -4.647 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.534 4.918 -4.118 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.152 4.991 -2.480 1.00 0.00 H new ATOM 0 HG SER A 64 -16.330 5.221 -3.683 1.00 0.00 H new ATOM 968 N VAL A 65 -15.328 8.361 -1.973 1.00 0.00 N ATOM 969 CA VAL A 65 -16.332 8.947 -1.093 1.00 0.00 C ATOM 970 C VAL A 65 -16.542 10.424 -1.405 1.00 0.00 C ATOM 971 O VAL A 65 -15.631 11.106 -1.878 1.00 0.00 O ATOM 972 CB VAL A 65 -15.935 8.798 0.388 1.00 0.00 C ATOM 973 CG1 VAL A 65 -17.085 9.212 1.294 1.00 0.00 C ATOM 974 CG2 VAL A 65 -15.500 7.370 0.682 1.00 0.00 C ATOM 0 H VAL A 65 -14.419 8.824 -1.943 1.00 0.00 H new ATOM 0 HA VAL A 65 -17.262 8.406 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.091 9.459 0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -16.786 9.100 2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -17.344 10.253 1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -17.951 8.580 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -15.223 7.283 1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -16.322 6.687 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -14.643 7.115 0.059 1.00 0.00 H new ATOM 984 N HIS A 66 -17.748 10.915 -1.138 1.00 0.00 N ATOM 985 CA HIS A 66 -18.078 12.313 -1.390 1.00 0.00 C ATOM 986 C HIS A 66 -18.059 13.117 -0.094 1.00 0.00 C ATOM 987 O HIS A 66 -18.998 13.056 0.701 1.00 0.00 O ATOM 988 CB HIS A 66 -19.451 12.424 -2.053 1.00 0.00 C ATOM 989 CG HIS A 66 -19.911 13.836 -2.247 1.00 0.00 C ATOM 990 ND1 HIS A 66 -21.228 14.174 -2.476 1.00 0.00 N ATOM 991 CD2 HIS A 66 -19.220 15.000 -2.244 1.00 0.00 C ATOM 992 CE1 HIS A 66 -21.327 15.485 -2.607 1.00 0.00 C ATOM 993 NE2 HIS A 66 -20.123 16.010 -2.469 1.00 0.00 N ATOM 0 H HIS A 66 -18.513 10.365 -0.747 1.00 0.00 H new ATOM 0 HA HIS A 66 -17.325 12.723 -2.063 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -19.419 11.925 -3.021 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -20.183 11.893 -1.445 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -18.157 15.113 -2.093 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -22.238 16.034 -2.795 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -19.900 17.004 -2.521 1.00 0.00 H new ATOM 1001 N VAL A 67 -16.984 13.871 0.114 1.00 0.00 N ATOM 1002 CA VAL A 67 -16.844 14.688 1.314 1.00 0.00 C ATOM 1003 C VAL A 67 -18.029 15.633 1.477 1.00 0.00 C ATOM 1004 O VAL A 67 -18.905 15.408 2.312 1.00 0.00 O ATOM 1005 CB VAL A 67 -15.544 15.514 1.281 1.00 0.00 C ATOM 1006 CG1 VAL A 67 -15.459 16.425 2.497 1.00 0.00 C ATOM 1007 CG2 VAL A 67 -14.333 14.597 1.206 1.00 0.00 C ATOM 0 H VAL A 67 -16.198 13.933 -0.533 1.00 0.00 H new ATOM 0 HA VAL A 67 -16.810 14.003 2.161 1.00 0.00 H new ATOM 0 HB VAL A 67 -15.554 16.140 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -14.534 17.001 2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -16.310 17.106 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -15.472 15.822 3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.423 15.197 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.316 13.945 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.391 13.991 0.302 1.00 0.00 H new ATOM 1017 N GLY A 68 -18.051 16.691 0.673 1.00 0.00 N ATOM 1018 CA GLY A 68 -19.134 17.655 0.744 1.00 0.00 C ATOM 1019 C GLY A 68 -18.716 19.033 0.271 1.00 0.00 C ATOM 1020 O GLY A 68 -18.325 19.208 -0.882 1.00 0.00 O ATOM 0 H GLY A 68 -17.338 16.898 -0.027 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -19.969 17.304 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -19.492 17.720 1.772 1.00 0.00 H new ATOM 1024 N GLY A 69 -18.800 20.015 1.163 1.00 0.00 N ATOM 1025 CA GLY A 69 -18.426 21.372 0.811 1.00 0.00 C ATOM 1026 C GLY A 69 -17.595 22.042 1.887 1.00 0.00 C ATOM 1027 O GLY A 69 -16.826 21.383 2.587 1.00 0.00 O ATOM 0 H GLY A 69 -19.121 19.895 2.124 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.864 21.360 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -19.327 21.959 0.634 1.00 0.00 H new ATOM 1031 N CYS A 70 -17.747 23.355 2.017 1.00 0.00 N ATOM 1032 CA CYS A 70 -17.002 24.116 3.014 1.00 0.00 C ATOM 1033 C CYS A 70 -17.324 23.628 4.423 1.00 0.00 C ATOM 1034 O CYS A 70 -16.430 23.243 5.177 1.00 0.00 O ATOM 1035 CB CYS A 70 -17.321 25.606 2.892 1.00 0.00 C ATOM 1036 SG CYS A 70 -16.584 26.628 4.189 1.00 0.00 S ATOM 0 H CYS A 70 -18.379 23.915 1.445 1.00 0.00 H new ATOM 0 HA CYS A 70 -15.938 23.964 2.831 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -16.974 25.963 1.922 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -18.403 25.738 2.911 1.00 0.00 H new ATOM 0 HG CYS A 70 -15.542 26.023 4.679 1.00 0.00 H new ATOM 1042 N ASP A 71 -18.605 23.647 4.772 1.00 0.00 N ATOM 1043 CA ASP A 71 -19.046 23.208 6.090 1.00 0.00 C ATOM 1044 C ASP A 71 -18.498 21.821 6.412 1.00 0.00 C ATOM 1045 O ASP A 71 -17.942 21.596 7.487 1.00 0.00 O ATOM 1046 CB ASP A 71 -20.574 23.195 6.163 1.00 0.00 C ATOM 1047 CG ASP A 71 -21.087 22.546 7.433 1.00 0.00 C ATOM 1048 OD1 ASP A 71 -21.287 21.314 7.430 1.00 0.00 O ATOM 1049 OD2 ASP A 71 -21.290 23.271 8.430 1.00 0.00 O ATOM 0 H ASP A 71 -19.357 23.962 4.160 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.661 23.912 6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -20.946 24.218 6.105 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -20.972 22.662 5.300 1.00 0.00 H new ATOM 1054 N ASP A 72 -18.659 20.894 5.473 1.00 0.00 N ATOM 1055 CA ASP A 72 -18.180 19.529 5.656 1.00 0.00 C ATOM 1056 C ASP A 72 -16.664 19.502 5.819 1.00 0.00 C ATOM 1057 O ASP A 72 -16.142 18.936 6.781 1.00 0.00 O ATOM 1058 CB ASP A 72 -18.593 18.658 4.469 1.00 0.00 C ATOM 1059 CG ASP A 72 -20.085 18.713 4.202 1.00 0.00 C ATOM 1060 OD1 ASP A 72 -20.578 19.792 3.812 1.00 0.00 O ATOM 1061 OD2 ASP A 72 -20.758 17.677 4.382 1.00 0.00 O ATOM 0 H ASP A 72 -19.118 21.063 4.578 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.632 19.130 6.564 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -18.055 18.984 3.579 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -18.299 17.626 4.660 1.00 0.00 H new ATOM 1066 N LEU A 73 -15.961 20.116 4.873 1.00 0.00 N ATOM 1067 CA LEU A 73 -14.504 20.162 4.911 1.00 0.00 C ATOM 1068 C LEU A 73 -14.010 20.709 6.247 1.00 0.00 C ATOM 1069 O LEU A 73 -13.115 20.138 6.870 1.00 0.00 O ATOM 1070 CB LEU A 73 -13.971 21.026 3.766 1.00 0.00 C ATOM 1071 CG LEU A 73 -12.507 20.807 3.385 1.00 0.00 C ATOM 1072 CD1 LEU A 73 -12.365 19.586 2.490 1.00 0.00 C ATOM 1073 CD2 LEU A 73 -11.944 22.043 2.699 1.00 0.00 C ATOM 0 H LEU A 73 -16.377 20.589 4.071 1.00 0.00 H new ATOM 0 HA LEU A 73 -14.131 19.144 4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -14.586 20.845 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.102 22.074 4.037 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.936 20.631 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.316 19.446 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.729 18.704 3.017 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.949 19.731 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.901 21.869 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.517 22.251 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.010 22.896 3.375 1.00 0.00 H new ATOM 1085 N TYR A 74 -14.602 21.816 6.682 1.00 0.00 N ATOM 1086 CA TYR A 74 -14.223 22.440 7.944 1.00 0.00 C ATOM 1087 C TYR A 74 -14.628 21.566 9.127 1.00 0.00 C ATOM 1088 O TYR A 74 -13.981 21.580 10.174 1.00 0.00 O ATOM 1089 CB TYR A 74 -14.869 23.820 8.069 1.00 0.00 C ATOM 1090 CG TYR A 74 -14.018 24.941 7.516 1.00 0.00 C ATOM 1091 CD1 TYR A 74 -14.023 25.238 6.159 1.00 0.00 C ATOM 1092 CD2 TYR A 74 -13.209 25.702 8.350 1.00 0.00 C ATOM 1093 CE1 TYR A 74 -13.246 26.260 5.649 1.00 0.00 C ATOM 1094 CE2 TYR A 74 -12.430 26.727 7.849 1.00 0.00 C ATOM 1095 CZ TYR A 74 -12.452 27.002 6.498 1.00 0.00 C ATOM 1096 OH TYR A 74 -11.678 28.022 5.994 1.00 0.00 O ATOM 0 H TYR A 74 -15.346 22.300 6.179 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.139 22.552 7.954 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -15.827 23.812 7.548 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -15.079 24.019 9.120 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -14.645 24.660 5.491 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -13.189 25.489 9.409 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.260 26.477 4.591 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.807 27.310 8.512 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.180 28.446 6.724 1.00 0.00 H new ATOM 1106 N ALA A 75 -15.705 20.807 8.952 1.00 0.00 N ATOM 1107 CA ALA A 75 -16.197 19.924 10.002 1.00 0.00 C ATOM 1108 C ALA A 75 -15.309 18.692 10.144 1.00 0.00 C ATOM 1109 O ALA A 75 -15.159 18.146 11.238 1.00 0.00 O ATOM 1110 CB ALA A 75 -17.633 19.512 9.716 1.00 0.00 C ATOM 0 H ALA A 75 -16.254 20.786 8.092 1.00 0.00 H new ATOM 0 HA ALA A 75 -16.169 20.471 10.945 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -17.987 18.853 10.508 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -18.264 20.399 9.673 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -17.678 18.988 8.761 1.00 0.00 H new ATOM 1116 N LEU A 76 -14.724 18.260 9.034 1.00 0.00 N ATOM 1117 CA LEU A 76 -13.851 17.091 9.034 1.00 0.00 C ATOM 1118 C LEU A 76 -12.468 17.444 9.572 1.00 0.00 C ATOM 1119 O LEU A 76 -11.914 16.727 10.404 1.00 0.00 O ATOM 1120 CB LEU A 76 -13.730 16.519 7.621 1.00 0.00 C ATOM 1121 CG LEU A 76 -14.837 15.556 7.189 1.00 0.00 C ATOM 1122 CD1 LEU A 76 -14.414 14.115 7.426 1.00 0.00 C ATOM 1123 CD2 LEU A 76 -16.130 15.863 7.932 1.00 0.00 C ATOM 0 H LEU A 76 -14.838 18.701 8.121 1.00 0.00 H new ATOM 0 HA LEU A 76 -14.294 16.339 9.687 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.703 17.350 6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.774 16.001 7.541 1.00 0.00 H new ATOM 0 HG LEU A 76 -15.013 15.690 6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -15.214 13.445 7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -13.514 13.900 6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -14.210 13.965 8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -16.907 15.168 7.613 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -15.967 15.757 9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -16.443 16.884 7.712 1.00 0.00 H new ATOM 1135 N GLU A 77 -11.917 18.555 9.091 1.00 0.00 N ATOM 1136 CA GLU A 77 -10.600 19.003 9.524 1.00 0.00 C ATOM 1137 C GLU A 77 -10.586 19.282 11.025 1.00 0.00 C ATOM 1138 O GLU A 77 -9.538 19.224 11.668 1.00 0.00 O ATOM 1139 CB GLU A 77 -10.186 20.261 8.758 1.00 0.00 C ATOM 1140 CG GLU A 77 -10.838 21.532 9.277 1.00 0.00 C ATOM 1141 CD GLU A 77 -9.937 22.306 10.220 1.00 0.00 C ATOM 1142 OE1 GLU A 77 -8.718 22.372 9.954 1.00 0.00 O ATOM 1143 OE2 GLU A 77 -10.450 22.843 11.224 1.00 0.00 O ATOM 0 H GLU A 77 -12.363 19.160 8.402 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.887 18.206 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.103 20.370 8.813 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.441 20.136 7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.108 22.168 8.434 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.764 21.277 9.793 1.00 0.00 H new ATOM 1150 N ASP A 78 -11.757 19.584 11.575 1.00 0.00 N ATOM 1151 CA ASP A 78 -11.881 19.871 12.999 1.00 0.00 C ATOM 1152 C ASP A 78 -11.527 18.645 13.834 1.00 0.00 C ATOM 1153 O ASP A 78 -11.013 18.766 14.945 1.00 0.00 O ATOM 1154 CB ASP A 78 -13.303 20.333 13.326 1.00 0.00 C ATOM 1155 CG ASP A 78 -13.363 21.174 14.586 1.00 0.00 C ATOM 1156 OD1 ASP A 78 -13.040 22.378 14.512 1.00 0.00 O ATOM 1157 OD2 ASP A 78 -13.734 20.627 15.646 1.00 0.00 O ATOM 0 H ASP A 78 -12.634 19.636 11.056 1.00 0.00 H new ATOM 0 HA ASP A 78 -11.182 20.670 13.245 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.696 20.910 12.489 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.947 19.462 13.443 1.00 0.00 H new ATOM 1162 N GLU A 79 -11.807 17.464 13.290 1.00 0.00 N ATOM 1163 CA GLU A 79 -11.520 16.216 13.987 1.00 0.00 C ATOM 1164 C GLU A 79 -10.213 15.604 13.490 1.00 0.00 C ATOM 1165 O GLU A 79 -9.598 14.787 14.173 1.00 0.00 O ATOM 1166 CB GLU A 79 -12.667 15.222 13.793 1.00 0.00 C ATOM 1167 CG GLU A 79 -14.043 15.834 13.991 1.00 0.00 C ATOM 1168 CD GLU A 79 -14.868 15.093 15.024 1.00 0.00 C ATOM 1169 OE1 GLU A 79 -14.850 13.844 15.015 1.00 0.00 O ATOM 1170 OE2 GLU A 79 -15.533 15.762 15.843 1.00 0.00 O ATOM 0 H GLU A 79 -12.232 17.346 12.370 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.417 16.438 15.049 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.607 14.802 12.789 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.542 14.395 14.492 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.933 16.874 14.298 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.576 15.837 13.040 1.00 0.00 H new ATOM 1177 N GLY A 80 -9.795 16.007 12.294 1.00 0.00 N ATOM 1178 CA GLY A 80 -8.564 15.489 11.725 1.00 0.00 C ATOM 1179 C GLY A 80 -8.793 14.252 10.879 1.00 0.00 C ATOM 1180 O GLY A 80 -7.933 13.374 10.804 1.00 0.00 O ATOM 0 H GLY A 80 -10.287 16.683 11.709 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.096 16.261 11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.867 15.252 12.529 1.00 0.00 H new ATOM 1184 N LYS A 81 -9.955 14.181 10.240 1.00 0.00 N ATOM 1185 CA LYS A 81 -10.296 13.043 9.395 1.00 0.00 C ATOM 1186 C LYS A 81 -9.899 13.304 7.945 1.00 0.00 C ATOM 1187 O LYS A 81 -9.489 12.389 7.229 1.00 0.00 O ATOM 1188 CB LYS A 81 -11.796 12.749 9.479 1.00 0.00 C ATOM 1189 CG LYS A 81 -12.418 13.143 10.807 1.00 0.00 C ATOM 1190 CD LYS A 81 -11.757 12.421 11.969 1.00 0.00 C ATOM 1191 CE LYS A 81 -12.131 10.947 11.995 1.00 0.00 C ATOM 1192 NZ LYS A 81 -10.951 10.080 12.267 1.00 0.00 N ATOM 0 H LYS A 81 -10.678 14.899 10.291 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.742 12.176 9.755 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.307 13.280 8.676 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.959 11.684 9.312 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.326 14.220 10.947 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.483 12.913 10.793 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.674 12.521 11.893 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.055 12.890 12.907 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.890 10.778 12.759 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.574 10.668 11.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.247 9.083 12.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.237 10.222 11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.543 10.329 13.191 1.00 0.00 H new ATOM 1206 N LEU A 82 -10.023 14.556 7.519 1.00 0.00 N ATOM 1207 CA LEU A 82 -9.676 14.937 6.154 1.00 0.00 C ATOM 1208 C LEU A 82 -8.278 14.446 5.791 1.00 0.00 C ATOM 1209 O LEU A 82 -8.067 13.886 4.715 1.00 0.00 O ATOM 1210 CB LEU A 82 -9.753 16.456 5.993 1.00 0.00 C ATOM 1211 CG LEU A 82 -10.268 16.963 4.646 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -11.780 17.121 4.677 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -9.600 18.281 4.281 1.00 0.00 C ATOM 0 H LEU A 82 -10.361 15.324 8.098 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.392 14.469 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.397 16.852 6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.758 16.870 6.158 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.016 16.227 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.128 17.483 3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.242 16.157 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -12.055 17.836 5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.979 18.627 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.820 19.025 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.522 18.136 4.215 1.00 0.00 H new ATOM 1225 N ASP A 83 -7.329 14.658 6.695 1.00 0.00 N ATOM 1226 CA ASP A 83 -5.951 14.234 6.471 1.00 0.00 C ATOM 1227 C ASP A 83 -5.893 12.761 6.078 1.00 0.00 C ATOM 1228 O ASP A 83 -5.137 12.376 5.187 1.00 0.00 O ATOM 1229 CB ASP A 83 -5.111 14.474 7.727 1.00 0.00 C ATOM 1230 CG ASP A 83 -3.631 14.587 7.420 1.00 0.00 C ATOM 1231 OD1 ASP A 83 -3.263 15.434 6.579 1.00 0.00 O ATOM 1232 OD2 ASP A 83 -2.840 13.829 8.020 1.00 0.00 O ATOM 0 H ASP A 83 -7.488 15.121 7.590 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.543 14.826 5.652 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.448 15.387 8.217 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -5.272 13.657 8.430 1.00 0.00 H new ATOM 1237 N SER A 84 -6.696 11.943 6.750 1.00 0.00 N ATOM 1238 CA SER A 84 -6.733 10.511 6.475 1.00 0.00 C ATOM 1239 C SER A 84 -7.600 10.215 5.255 1.00 0.00 C ATOM 1240 O SER A 84 -7.406 9.209 4.570 1.00 0.00 O ATOM 1241 CB SER A 84 -7.265 9.750 7.690 1.00 0.00 C ATOM 1242 OG SER A 84 -6.751 10.290 8.895 1.00 0.00 O ATOM 0 H SER A 84 -7.330 12.247 7.489 1.00 0.00 H new ATOM 0 HA SER A 84 -5.716 10.180 6.266 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.354 9.795 7.703 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.990 8.698 7.613 1.00 0.00 H new ATOM 0 HG SER A 84 -7.107 9.787 9.657 1.00 0.00 H new ATOM 1248 N LEU A 85 -8.558 11.096 4.990 1.00 0.00 N ATOM 1249 CA LEU A 85 -9.456 10.930 3.853 1.00 0.00 C ATOM 1250 C LEU A 85 -8.702 11.083 2.536 1.00 0.00 C ATOM 1251 O LEU A 85 -8.951 10.351 1.577 1.00 0.00 O ATOM 1252 CB LEU A 85 -10.594 11.951 3.923 1.00 0.00 C ATOM 1253 CG LEU A 85 -11.795 11.558 4.784 1.00 0.00 C ATOM 1254 CD1 LEU A 85 -12.744 12.736 4.946 1.00 0.00 C ATOM 1255 CD2 LEU A 85 -12.521 10.367 4.175 1.00 0.00 C ATOM 0 H LEU A 85 -8.733 11.932 5.547 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.874 9.924 3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.191 12.889 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.946 12.143 2.909 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.432 11.271 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.593 12.438 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -12.220 13.562 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -13.100 13.053 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -13.373 10.101 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -12.872 10.627 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.839 9.519 4.111 1.00 0.00 H new ATOM 1267 N LEU A 86 -7.779 12.037 2.496 1.00 0.00 N ATOM 1268 CA LEU A 86 -6.986 12.285 1.297 1.00 0.00 C ATOM 1269 C LEU A 86 -5.801 11.327 1.220 1.00 0.00 C ATOM 1270 O LEU A 86 -5.275 11.058 0.140 1.00 0.00 O ATOM 1271 CB LEU A 86 -6.488 13.732 1.281 1.00 0.00 C ATOM 1272 CG LEU A 86 -5.613 14.154 2.462 1.00 0.00 C ATOM 1273 CD1 LEU A 86 -4.147 13.883 2.163 1.00 0.00 C ATOM 1274 CD2 LEU A 86 -5.831 15.624 2.788 1.00 0.00 C ATOM 0 H LEU A 86 -7.561 12.652 3.280 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.623 12.117 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.924 13.891 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.354 14.393 1.242 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.900 13.564 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.539 14.190 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.004 12.818 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.845 14.447 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.200 15.907 3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.572 16.231 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.877 15.788 3.046 1.00 0.00 H new ATOM 1286 N LYS A 87 -5.388 10.812 2.373 1.00 0.00 N ATOM 1287 CA LYS A 87 -4.268 9.880 2.437 1.00 0.00 C ATOM 1288 C LYS A 87 -4.713 8.469 2.069 1.00 0.00 C ATOM 1289 O LYS A 87 -4.060 7.786 1.279 1.00 0.00 O ATOM 1290 CB LYS A 87 -3.655 9.883 3.840 1.00 0.00 C ATOM 1291 CG LYS A 87 -2.576 10.935 4.029 1.00 0.00 C ATOM 1292 CD LYS A 87 -1.195 10.378 3.721 1.00 0.00 C ATOM 1293 CE LYS A 87 -0.613 9.640 4.917 1.00 0.00 C ATOM 1294 NZ LYS A 87 0.627 8.896 4.558 1.00 0.00 N ATOM 0 H LYS A 87 -5.812 11.024 3.276 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.516 10.204 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.445 10.049 4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.232 8.900 4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.779 11.787 3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.601 11.303 5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.256 9.701 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.529 11.192 3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.392 10.353 5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.354 8.944 5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.994 8.406 5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.411 8.198 3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.343 9.564 4.207 1.00 0.00 H new ATOM 1308 N THR A 88 -5.831 8.036 2.644 1.00 0.00 N ATOM 1309 CA THR A 88 -6.363 6.706 2.376 1.00 0.00 C ATOM 1310 C THR A 88 -7.309 6.723 1.181 1.00 0.00 C ATOM 1311 O THR A 88 -7.314 5.800 0.367 1.00 0.00 O ATOM 1312 CB THR A 88 -7.111 6.143 3.600 1.00 0.00 C ATOM 1313 OG1 THR A 88 -8.365 6.815 3.759 1.00 0.00 O ATOM 1314 CG2 THR A 88 -6.279 6.304 4.863 1.00 0.00 C ATOM 0 H THR A 88 -6.386 8.588 3.299 1.00 0.00 H new ATOM 0 HA THR A 88 -5.511 6.064 2.153 1.00 0.00 H new ATOM 0 HB THR A 88 -7.288 5.080 3.434 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.208 7.734 4.062 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.827 5.900 5.714 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.337 5.767 4.749 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.075 7.361 5.032 1.00 0.00 H new ATOM 1322 N GLY A 89 -8.109 7.781 1.080 1.00 0.00 N ATOM 1323 CA GLY A 89 -9.048 7.898 -0.021 1.00 0.00 C ATOM 1324 C GLY A 89 -10.372 7.222 0.273 1.00 0.00 C ATOM 1325 O GLY A 89 -11.143 6.927 -0.641 1.00 0.00 O ATOM 0 H GLY A 89 -8.123 8.558 1.740 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.222 8.952 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -8.610 7.458 -0.917 1.00 0.00 H new ATOM 1329 N LYS A 90 -10.638 6.975 1.551 1.00 0.00 N ATOM 1330 CA LYS A 90 -11.878 6.329 1.963 1.00 0.00 C ATOM 1331 C LYS A 90 -12.390 6.920 3.273 1.00 0.00 C ATOM 1332 O LYS A 90 -11.656 7.609 3.983 1.00 0.00 O ATOM 1333 CB LYS A 90 -11.665 4.822 2.121 1.00 0.00 C ATOM 1334 CG LYS A 90 -11.346 4.113 0.815 1.00 0.00 C ATOM 1335 CD LYS A 90 -9.849 4.046 0.568 1.00 0.00 C ATOM 1336 CE LYS A 90 -9.456 2.754 -0.131 1.00 0.00 C ATOM 1337 NZ LYS A 90 -10.009 2.680 -1.512 1.00 0.00 N ATOM 0 H LYS A 90 -10.011 7.213 2.320 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.624 6.505 1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.852 4.650 2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.562 4.380 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.757 3.104 0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.829 4.635 -0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.541 4.897 -0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.319 4.123 1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.369 2.678 -0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.814 1.904 0.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.719 1.785 -1.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.047 2.726 -1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.648 3.477 -2.074 1.00 0.00 H new