USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 826 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 78 ASN : amide:sc= -4.72! C(o=-6.7!,f=-18!) USER MOD Set 1.2: A 80 GLN : amide:sc= -2.01 K(o=-6.7,f=-5.7) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.307 (180deg=-1.24) USER MOD Single : A 1 MET N :NH3+ 150:sc= -0.395 (180deg=-1.21!) USER MOD Single : A 2 THR OG1 : rot 60:sc= 1.26 USER MOD Single : A 3 THR OG1 : rot -63:sc= -0.416 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -156:sc= -1.47 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 145:sc= -0.339 (180deg=-0.77) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.0088) USER MOD Single : A 38 ASN : amide:sc= -0.0969 X(o=-0.097,f=0) USER MOD Single : A 40 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.04) USER MOD Single : A 52 THR OG1 : rot 55:sc= 0.616 USER MOD Single : A 69 TYR OH : rot -28:sc= 1.44 USER MOD Single : A 83 MET CE :methyl -128:sc= -0.455 (180deg=-4.38!) USER MOD Single : A 89 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0264) USER MOD Single : A 93 SER OG : rot -11:sc= -0.568! USER MOD Single : A 94 HIS : no HD1:sc= -6.77! C(o=-6.8!,f=-9.6!) USER MOD Single : A 102 HIS : no HD1:sc= -7.27! C(o=-7.3!,f=-8!) USER MOD Single : A 106 LYS NZ :NH3+ 161:sc= 0.453 (180deg=0.307) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 198.481 -14.221 0.945 1.00 0.00 N ATOM 2 CA MET A 1 197.536 -13.701 1.969 1.00 0.00 C ATOM 3 C MET A 1 197.077 -12.288 1.626 1.00 0.00 C ATOM 4 O MET A 1 197.411 -11.755 0.568 1.00 0.00 O ATOM 5 CB MET A 1 198.233 -13.717 3.332 1.00 0.00 C ATOM 6 CG MET A 1 199.639 -13.139 3.305 1.00 0.00 C ATOM 7 SD MET A 1 200.602 -13.592 4.760 1.00 0.00 S ATOM 8 CE MET A 1 200.647 -15.375 4.596 1.00 0.00 C ATOM 0 H1 MET A 1 199.144 -14.887 1.391 1.00 0.00 H new ATOM 0 H2 MET A 1 197.948 -14.710 0.198 1.00 0.00 H new ATOM 0 H3 MET A 1 199.013 -13.430 0.530 1.00 0.00 H new ATOM 0 HA MET A 1 196.651 -14.336 1.995 1.00 0.00 H new ATOM 0 HB2 MET A 1 197.631 -13.153 4.045 1.00 0.00 H new ATOM 0 HB3 MET A 1 198.278 -14.744 3.695 1.00 0.00 H new ATOM 0 HG2 MET A 1 200.154 -13.488 2.410 1.00 0.00 H new ATOM 0 HG3 MET A 1 199.580 -12.053 3.236 1.00 0.00 H new ATOM 0 HE1 MET A 1 201.542 -15.763 5.082 1.00 0.00 H new ATOM 0 HE2 MET A 1 199.763 -15.806 5.067 1.00 0.00 H new ATOM 0 HE3 MET A 1 200.663 -15.643 3.540 1.00 0.00 H new ATOM 18 N THR A 2 196.307 -11.686 2.527 1.00 0.00 N ATOM 19 CA THR A 2 195.801 -10.334 2.319 1.00 0.00 C ATOM 20 C THR A 2 195.095 -9.822 3.575 1.00 0.00 C ATOM 21 O THR A 2 195.209 -8.649 3.924 1.00 0.00 O ATOM 22 CB THR A 2 194.852 -10.310 1.108 1.00 0.00 C ATOM 23 OG1 THR A 2 195.574 -10.053 -0.083 1.00 0.00 O ATOM 24 CG2 THR A 2 193.742 -9.275 1.196 1.00 0.00 C ATOM 0 H THR A 2 196.020 -12.113 3.408 1.00 0.00 H new ATOM 0 HA THR A 2 196.642 -9.671 2.115 1.00 0.00 H new ATOM 0 HB THR A 2 194.390 -11.297 1.103 1.00 0.00 H new ATOM 0 HG1 THR A 2 196.240 -10.758 -0.220 1.00 0.00 H new ATOM 0 HG21 THR A 2 193.122 -9.329 0.301 1.00 0.00 H new ATOM 0 HG22 THR A 2 193.128 -9.473 2.075 1.00 0.00 H new ATOM 0 HG23 THR A 2 194.178 -8.279 1.276 1.00 0.00 H new ATOM 32 N THR A 3 194.363 -10.713 4.242 1.00 0.00 N ATOM 33 CA THR A 3 193.628 -10.362 5.458 1.00 0.00 C ATOM 34 C THR A 3 192.354 -9.586 5.106 1.00 0.00 C ATOM 35 O THR A 3 191.757 -9.819 4.055 1.00 0.00 O ATOM 36 CB THR A 3 194.515 -9.554 6.428 1.00 0.00 C ATOM 37 OG1 THR A 3 194.435 -8.167 6.149 1.00 0.00 O ATOM 38 CG2 THR A 3 195.985 -9.939 6.397 1.00 0.00 C ATOM 0 H THR A 3 194.262 -11.688 3.960 1.00 0.00 H new ATOM 0 HA THR A 3 193.341 -11.285 5.962 1.00 0.00 H new ATOM 0 HB THR A 3 194.122 -9.790 7.417 1.00 0.00 H new ATOM 0 HG1 THR A 3 194.788 -7.993 5.252 1.00 0.00 H new ATOM 0 HG21 THR A 3 196.537 -9.324 7.107 1.00 0.00 H new ATOM 0 HG22 THR A 3 196.092 -10.990 6.667 1.00 0.00 H new ATOM 0 HG23 THR A 3 196.382 -9.780 5.394 1.00 0.00 H new ATOM 46 N GLU A 4 191.946 -8.657 5.975 1.00 0.00 N ATOM 47 CA GLU A 4 190.751 -7.848 5.739 1.00 0.00 C ATOM 48 C GLU A 4 189.583 -8.698 5.234 1.00 0.00 C ATOM 49 O GLU A 4 189.637 -9.927 5.261 1.00 0.00 O ATOM 50 CB GLU A 4 191.059 -6.737 4.733 1.00 0.00 C ATOM 51 CG GLU A 4 192.301 -5.931 5.078 1.00 0.00 C ATOM 52 CD GLU A 4 192.121 -5.088 6.326 1.00 0.00 C ATOM 53 OE1 GLU A 4 191.462 -4.031 6.239 1.00 0.00 O ATOM 54 OE2 GLU A 4 192.638 -5.487 7.391 1.00 0.00 O ATOM 0 H GLU A 4 192.428 -8.448 6.849 1.00 0.00 H new ATOM 0 HA GLU A 4 190.457 -7.407 6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 4 191.185 -7.178 3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 4 190.204 -6.064 4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 4 193.142 -6.610 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 4 192.553 -5.282 4.239 1.00 0.00 H new ATOM 61 N ILE A 5 188.530 -8.028 4.774 1.00 0.00 N ATOM 62 CA ILE A 5 187.348 -8.710 4.258 1.00 0.00 C ATOM 63 C ILE A 5 186.954 -8.142 2.899 1.00 0.00 C ATOM 64 O ILE A 5 187.278 -6.998 2.578 1.00 0.00 O ATOM 65 CB ILE A 5 186.142 -8.575 5.218 1.00 0.00 C ATOM 66 CG1 ILE A 5 186.577 -8.710 6.685 1.00 0.00 C ATOM 67 CG2 ILE A 5 185.077 -9.610 4.881 1.00 0.00 C ATOM 68 CD1 ILE A 5 185.876 -7.738 7.609 1.00 0.00 C ATOM 0 H ILE A 5 188.472 -7.010 4.748 1.00 0.00 H new ATOM 0 HA ILE A 5 187.607 -9.765 4.164 1.00 0.00 H new ATOM 0 HB ILE A 5 185.719 -7.579 5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 5 186.381 -9.728 7.023 1.00 0.00 H new ATOM 0 HG13 ILE A 5 187.654 -8.554 6.753 1.00 0.00 H new ATOM 0 HG21 ILE A 5 184.235 -9.502 5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 5 184.734 -9.459 3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 5 185.498 -10.611 4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 5 186.229 -7.887 8.629 1.00 0.00 H new ATOM 0 HD12 ILE A 5 186.093 -6.717 7.295 1.00 0.00 H new ATOM 0 HD13 ILE A 5 184.800 -7.909 7.569 1.00 0.00 H new ATOM 80 N LYS A 6 186.249 -8.941 2.105 1.00 0.00 N ATOM 81 CA LYS A 6 185.810 -8.505 0.785 1.00 0.00 C ATOM 82 C LYS A 6 184.446 -7.837 0.872 1.00 0.00 C ATOM 83 O LYS A 6 183.414 -8.504 0.954 1.00 0.00 O ATOM 84 CB LYS A 6 185.753 -9.685 -0.183 1.00 0.00 C ATOM 85 CG LYS A 6 187.121 -10.234 -0.557 1.00 0.00 C ATOM 86 CD LYS A 6 187.479 -11.455 0.276 1.00 0.00 C ATOM 87 CE LYS A 6 188.484 -11.112 1.365 1.00 0.00 C ATOM 88 NZ LYS A 6 189.888 -11.292 0.903 1.00 0.00 N ATOM 0 H LYS A 6 185.970 -9.891 2.352 1.00 0.00 H new ATOM 0 HA LYS A 6 186.534 -7.782 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 6 185.161 -10.483 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 6 185.235 -9.375 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 6 187.131 -10.498 -1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 6 187.876 -9.461 -0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 6 186.576 -11.865 0.729 1.00 0.00 H new ATOM 0 HD3 LYS A 6 187.892 -12.230 -0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 6 188.336 -10.080 1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 6 188.305 -11.743 2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 190.541 -11.048 1.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 190.037 -12.283 0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 190.068 -10.671 0.088 1.00 0.00 H new ATOM 102 N LYS A 7 184.457 -6.513 0.866 1.00 0.00 N ATOM 103 CA LYS A 7 183.235 -5.731 0.957 1.00 0.00 C ATOM 104 C LYS A 7 182.727 -5.321 -0.421 1.00 0.00 C ATOM 105 O LYS A 7 183.489 -4.833 -1.256 1.00 0.00 O ATOM 106 CB LYS A 7 183.485 -4.490 1.807 1.00 0.00 C ATOM 107 CG LYS A 7 184.607 -3.613 1.278 1.00 0.00 C ATOM 108 CD LYS A 7 185.523 -3.145 2.397 1.00 0.00 C ATOM 109 CE LYS A 7 185.341 -1.663 2.686 1.00 0.00 C ATOM 110 NZ LYS A 7 185.433 -1.365 4.142 1.00 0.00 N ATOM 0 H LYS A 7 185.307 -5.954 0.798 1.00 0.00 H new ATOM 0 HA LYS A 7 182.470 -6.352 1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 7 182.568 -3.903 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 7 183.724 -4.798 2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 7 185.187 -4.168 0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 7 184.184 -2.748 0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 7 185.319 -3.720 3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 7 186.560 -3.338 2.124 1.00 0.00 H new ATOM 0 HE2 LYS A 7 186.100 -1.093 2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 7 184.372 -1.336 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 185.304 -0.345 4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 184.693 -1.889 4.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 186.367 -1.653 4.497 1.00 0.00 H new ATOM 124 N LEU A 8 181.430 -5.514 -0.648 1.00 0.00 N ATOM 125 CA LEU A 8 180.805 -5.157 -1.918 1.00 0.00 C ATOM 126 C LEU A 8 181.194 -3.741 -2.339 1.00 0.00 C ATOM 127 O LEU A 8 181.604 -2.928 -1.510 1.00 0.00 O ATOM 128 CB LEU A 8 179.282 -5.266 -1.799 1.00 0.00 C ATOM 129 CG LEU A 8 178.643 -6.373 -2.636 1.00 0.00 C ATOM 130 CD1 LEU A 8 177.197 -6.589 -2.219 1.00 0.00 C ATOM 131 CD2 LEU A 8 178.728 -6.035 -4.117 1.00 0.00 C ATOM 0 H LEU A 8 180.789 -5.918 0.035 1.00 0.00 H new ATOM 0 HA LEU A 8 181.159 -5.851 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 8 179.026 -5.430 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 8 178.841 -4.312 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 8 179.192 -7.299 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 8 176.758 -7.381 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 8 177.160 -6.875 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 8 176.635 -5.667 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 8 178.268 -6.834 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 8 178.203 -5.099 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 8 179.774 -5.930 -4.407 1.00 0.00 H new ATOM 143 N ASP A 9 181.060 -3.452 -3.628 1.00 0.00 N ATOM 144 CA ASP A 9 181.394 -2.133 -4.152 1.00 0.00 C ATOM 145 C ASP A 9 180.260 -1.145 -3.887 1.00 0.00 C ATOM 146 O ASP A 9 179.098 -1.537 -3.781 1.00 0.00 O ATOM 147 CB ASP A 9 181.683 -2.215 -5.653 1.00 0.00 C ATOM 148 CG ASP A 9 183.159 -2.057 -5.966 1.00 0.00 C ATOM 149 OD1 ASP A 9 183.889 -3.069 -5.910 1.00 0.00 O ATOM 150 OD2 ASP A 9 183.584 -0.922 -6.267 1.00 0.00 O ATOM 0 H ASP A 9 180.723 -4.112 -4.329 1.00 0.00 H new ATOM 0 HA ASP A 9 182.288 -1.777 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 9 181.334 -3.174 -6.036 1.00 0.00 H new ATOM 0 HB3 ASP A 9 181.119 -1.440 -6.172 1.00 0.00 H new ATOM 155 N PRO A 10 180.583 0.155 -3.777 1.00 0.00 N ATOM 156 CA PRO A 10 179.585 1.198 -3.524 1.00 0.00 C ATOM 157 C PRO A 10 178.482 1.206 -4.577 1.00 0.00 C ATOM 158 O PRO A 10 177.307 1.021 -4.261 1.00 0.00 O ATOM 159 CB PRO A 10 180.391 2.505 -3.579 1.00 0.00 C ATOM 160 CG PRO A 10 181.680 2.147 -4.241 1.00 0.00 C ATOM 161 CD PRO A 10 181.939 0.711 -3.891 1.00 0.00 C ATOM 0 HA PRO A 10 179.075 1.045 -2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 10 179.859 3.271 -4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 10 180.560 2.905 -2.579 1.00 0.00 H new ATOM 0 HG2 PRO A 10 181.614 2.280 -5.321 1.00 0.00 H new ATOM 0 HG3 PRO A 10 182.490 2.787 -3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 10 182.520 0.205 -4.662 1.00 0.00 H new ATOM 0 HD3 PRO A 10 182.495 0.616 -2.958 1.00 0.00 H new ATOM 169 N ASP A 11 178.869 1.420 -5.830 1.00 0.00 N ATOM 170 CA ASP A 11 177.913 1.450 -6.930 1.00 0.00 C ATOM 171 C ASP A 11 177.278 0.079 -7.140 1.00 0.00 C ATOM 172 O ASP A 11 176.146 -0.026 -7.613 1.00 0.00 O ATOM 173 CB ASP A 11 178.602 1.908 -8.217 1.00 0.00 C ATOM 174 CG ASP A 11 179.744 0.994 -8.617 1.00 0.00 C ATOM 175 OD1 ASP A 11 180.792 1.021 -7.937 1.00 0.00 O ATOM 176 OD2 ASP A 11 179.591 0.252 -9.610 1.00 0.00 O ATOM 0 H ASP A 11 179.838 1.575 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 11 177.125 2.158 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 11 177.870 1.946 -9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 11 178.981 2.921 -8.083 1.00 0.00 H new ATOM 181 N THR A 12 178.015 -0.971 -6.789 1.00 0.00 N ATOM 182 CA THR A 12 177.523 -2.335 -6.942 1.00 0.00 C ATOM 183 C THR A 12 176.355 -2.608 -5.998 1.00 0.00 C ATOM 184 O THR A 12 175.281 -3.026 -6.432 1.00 0.00 O ATOM 185 CB THR A 12 178.649 -3.338 -6.686 1.00 0.00 C ATOM 186 OG1 THR A 12 179.742 -3.095 -7.553 1.00 0.00 O ATOM 187 CG2 THR A 12 178.223 -4.777 -6.878 1.00 0.00 C ATOM 0 H THR A 12 178.954 -0.903 -6.397 1.00 0.00 H new ATOM 0 HA THR A 12 177.168 -2.451 -7.966 1.00 0.00 H new ATOM 0 HB THR A 12 178.932 -3.196 -5.643 1.00 0.00 H new ATOM 0 HG1 THR A 12 180.264 -3.918 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 12 179.068 -5.436 -6.681 1.00 0.00 H new ATOM 0 HG22 THR A 12 177.412 -5.011 -6.189 1.00 0.00 H new ATOM 0 HG23 THR A 12 177.881 -4.922 -7.903 1.00 0.00 H new ATOM 195 N ALA A 13 176.566 -2.363 -4.708 1.00 0.00 N ATOM 196 CA ALA A 13 175.524 -2.578 -3.713 1.00 0.00 C ATOM 197 C ALA A 13 174.316 -1.693 -3.992 1.00 0.00 C ATOM 198 O ALA A 13 173.186 -2.176 -4.079 1.00 0.00 O ATOM 199 CB ALA A 13 176.065 -2.311 -2.316 1.00 0.00 C ATOM 0 H ALA A 13 177.447 -2.016 -4.329 1.00 0.00 H new ATOM 0 HA ALA A 13 175.204 -3.618 -3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 13 175.276 -2.475 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 13 176.896 -2.986 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 13 176.411 -1.280 -2.251 1.00 0.00 H new ATOM 205 N ILE A 14 174.562 -0.392 -4.138 1.00 0.00 N ATOM 206 CA ILE A 14 173.496 0.566 -4.415 1.00 0.00 C ATOM 207 C ILE A 14 172.590 0.060 -5.536 1.00 0.00 C ATOM 208 O ILE A 14 171.376 0.260 -5.507 1.00 0.00 O ATOM 209 CB ILE A 14 174.074 1.945 -4.802 1.00 0.00 C ATOM 210 CG1 ILE A 14 174.773 2.581 -3.599 1.00 0.00 C ATOM 211 CG2 ILE A 14 172.980 2.862 -5.330 1.00 0.00 C ATOM 212 CD1 ILE A 14 175.458 3.891 -3.920 1.00 0.00 C ATOM 0 H ILE A 14 175.492 0.022 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 14 172.909 0.675 -3.503 1.00 0.00 H new ATOM 0 HB ILE A 14 174.806 1.801 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 14 174.040 2.748 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 14 175.511 1.881 -3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 14 173.411 3.827 -5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 14 172.523 2.413 -6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 14 172.221 3.003 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 14 175.932 4.284 -3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 14 176.215 3.727 -4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 14 174.721 4.607 -4.284 1.00 0.00 H new ATOM 224 N ASP A 15 173.192 -0.605 -6.514 1.00 0.00 N ATOM 225 CA ASP A 15 172.445 -1.153 -7.637 1.00 0.00 C ATOM 226 C ASP A 15 171.531 -2.279 -7.166 1.00 0.00 C ATOM 227 O ASP A 15 170.389 -2.396 -7.613 1.00 0.00 O ATOM 228 CB ASP A 15 173.401 -1.670 -8.713 1.00 0.00 C ATOM 229 CG ASP A 15 172.736 -1.789 -10.070 1.00 0.00 C ATOM 230 OD1 ASP A 15 172.091 -2.828 -10.326 1.00 0.00 O ATOM 231 OD2 ASP A 15 172.859 -0.843 -10.876 1.00 0.00 O ATOM 0 H ASP A 15 174.197 -0.778 -6.551 1.00 0.00 H new ATOM 0 HA ASP A 15 171.833 -0.358 -8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 15 174.256 -0.998 -8.788 1.00 0.00 H new ATOM 0 HB3 ASP A 15 173.787 -2.645 -8.414 1.00 0.00 H new ATOM 236 N ILE A 16 172.040 -3.101 -6.252 1.00 0.00 N ATOM 237 CA ILE A 16 171.268 -4.213 -5.712 1.00 0.00 C ATOM 238 C ILE A 16 170.042 -3.706 -4.961 1.00 0.00 C ATOM 239 O ILE A 16 168.907 -3.996 -5.339 1.00 0.00 O ATOM 240 CB ILE A 16 172.116 -5.083 -4.762 1.00 0.00 C ATOM 241 CG1 ILE A 16 173.421 -5.505 -5.435 1.00 0.00 C ATOM 242 CG2 ILE A 16 171.335 -6.307 -4.321 1.00 0.00 C ATOM 243 CD1 ILE A 16 173.228 -6.120 -6.806 1.00 0.00 C ATOM 0 H ILE A 16 172.983 -3.017 -5.871 1.00 0.00 H new ATOM 0 HA ILE A 16 170.952 -4.823 -6.559 1.00 0.00 H new ATOM 0 HB ILE A 16 172.358 -4.487 -3.882 1.00 0.00 H new ATOM 0 HG12 ILE A 16 174.071 -4.635 -5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 16 173.935 -6.222 -4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 16 171.949 -6.909 -3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 16 170.431 -5.993 -3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 16 171.063 -6.899 -5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 16 174.198 -6.395 -7.221 1.00 0.00 H new ATOM 0 HD12 ILE A 16 172.604 -7.010 -6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 16 172.743 -5.399 -7.463 1.00 0.00 H new ATOM 255 N ALA A 17 170.278 -2.943 -3.895 1.00 0.00 N ATOM 256 CA ALA A 17 169.192 -2.392 -3.090 1.00 0.00 C ATOM 257 C ALA A 17 168.135 -1.732 -3.969 1.00 0.00 C ATOM 258 O ALA A 17 166.938 -1.821 -3.693 1.00 0.00 O ATOM 259 CB ALA A 17 169.738 -1.396 -2.079 1.00 0.00 C ATOM 0 H ALA A 17 171.212 -2.693 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 17 168.718 -3.214 -2.554 1.00 0.00 H new ATOM 0 HB1 ALA A 17 168.917 -0.993 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 17 170.449 -1.897 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 17 170.240 -0.583 -2.604 1.00 0.00 H new ATOM 265 N TYR A 18 168.585 -1.075 -5.034 1.00 0.00 N ATOM 266 CA TYR A 18 167.676 -0.408 -5.957 1.00 0.00 C ATOM 267 C TYR A 18 166.676 -1.405 -6.532 1.00 0.00 C ATOM 268 O TYR A 18 165.464 -1.208 -6.441 1.00 0.00 O ATOM 269 CB TYR A 18 168.460 0.259 -7.089 1.00 0.00 C ATOM 270 CG TYR A 18 167.638 1.231 -7.905 1.00 0.00 C ATOM 271 CD1 TYR A 18 166.824 0.786 -8.939 1.00 0.00 C ATOM 272 CD2 TYR A 18 167.676 2.595 -7.642 1.00 0.00 C ATOM 273 CE1 TYR A 18 166.072 1.671 -9.687 1.00 0.00 C ATOM 274 CE2 TYR A 18 166.927 3.487 -8.385 1.00 0.00 C ATOM 275 CZ TYR A 18 166.126 3.020 -9.406 1.00 0.00 C ATOM 276 OH TYR A 18 165.379 3.905 -10.149 1.00 0.00 O ATOM 0 H TYR A 18 169.572 -0.991 -5.278 1.00 0.00 H new ATOM 0 HA TYR A 18 167.130 0.359 -5.408 1.00 0.00 H new ATOM 0 HB2 TYR A 18 169.315 0.786 -6.666 1.00 0.00 H new ATOM 0 HB3 TYR A 18 168.856 -0.513 -7.749 1.00 0.00 H new ATOM 0 HD1 TYR A 18 166.778 -0.270 -9.162 1.00 0.00 H new ATOM 0 HD2 TYR A 18 168.302 2.964 -6.843 1.00 0.00 H new ATOM 0 HE1 TYR A 18 165.445 1.308 -10.488 1.00 0.00 H new ATOM 0 HE2 TYR A 18 166.968 4.544 -8.168 1.00 0.00 H new ATOM 0 HH TYR A 18 165.530 4.816 -9.821 1.00 0.00 H new ATOM 286 N ASP A 19 167.194 -2.479 -7.120 1.00 0.00 N ATOM 287 CA ASP A 19 166.348 -3.514 -7.706 1.00 0.00 C ATOM 288 C ASP A 19 165.344 -4.039 -6.683 1.00 0.00 C ATOM 289 O ASP A 19 164.225 -4.421 -7.033 1.00 0.00 O ATOM 290 CB ASP A 19 167.207 -4.666 -8.233 1.00 0.00 C ATOM 291 CG ASP A 19 167.547 -4.507 -9.702 1.00 0.00 C ATOM 292 OD1 ASP A 19 168.349 -3.608 -10.032 1.00 0.00 O ATOM 293 OD2 ASP A 19 167.011 -5.281 -10.522 1.00 0.00 O ATOM 0 H ASP A 19 168.195 -2.656 -7.203 1.00 0.00 H new ATOM 0 HA ASP A 19 165.797 -3.072 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 19 168.128 -4.723 -7.654 1.00 0.00 H new ATOM 0 HB3 ASP A 19 166.678 -5.608 -8.085 1.00 0.00 H new ATOM 298 N ILE A 20 165.745 -4.043 -5.414 1.00 0.00 N ATOM 299 CA ILE A 20 164.873 -4.510 -4.345 1.00 0.00 C ATOM 300 C ILE A 20 163.626 -3.639 -4.256 1.00 0.00 C ATOM 301 O ILE A 20 162.544 -4.056 -4.658 1.00 0.00 O ATOM 302 CB ILE A 20 165.596 -4.517 -2.981 1.00 0.00 C ATOM 303 CG1 ILE A 20 166.892 -5.323 -3.071 1.00 0.00 C ATOM 304 CG2 ILE A 20 164.688 -5.087 -1.900 1.00 0.00 C ATOM 305 CD1 ILE A 20 167.682 -5.344 -1.781 1.00 0.00 C ATOM 0 H ILE A 20 166.665 -3.729 -5.104 1.00 0.00 H new ATOM 0 HA ILE A 20 164.586 -5.534 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 20 165.845 -3.490 -2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 20 166.654 -6.347 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 20 167.515 -4.906 -3.862 1.00 0.00 H new ATOM 0 HG21 ILE A 20 165.213 -5.085 -0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 20 163.789 -4.476 -1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 20 164.411 -6.109 -2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 20 168.588 -5.934 -1.919 1.00 0.00 H new ATOM 0 HD12 ILE A 20 167.951 -4.325 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 20 167.077 -5.788 -0.991 1.00 0.00 H new ATOM 317 N PHE A 21 163.786 -2.423 -3.734 1.00 0.00 N ATOM 318 CA PHE A 21 162.672 -1.483 -3.596 1.00 0.00 C ATOM 319 C PHE A 21 161.765 -1.505 -4.829 1.00 0.00 C ATOM 320 O PHE A 21 160.563 -1.259 -4.732 1.00 0.00 O ATOM 321 CB PHE A 21 163.215 -0.069 -3.368 1.00 0.00 C ATOM 322 CG PHE A 21 162.159 1.002 -3.356 1.00 0.00 C ATOM 323 CD1 PHE A 21 161.351 1.187 -2.246 1.00 0.00 C ATOM 324 CD2 PHE A 21 161.981 1.827 -4.455 1.00 0.00 C ATOM 325 CE1 PHE A 21 160.384 2.174 -2.233 1.00 0.00 C ATOM 326 CE2 PHE A 21 161.017 2.815 -4.447 1.00 0.00 C ATOM 327 CZ PHE A 21 160.217 2.989 -3.335 1.00 0.00 C ATOM 0 H PHE A 21 164.680 -2.064 -3.398 1.00 0.00 H new ATOM 0 HA PHE A 21 162.074 -1.788 -2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 21 163.751 -0.046 -2.419 1.00 0.00 H new ATOM 0 HB3 PHE A 21 163.940 0.160 -4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 21 161.478 0.553 -1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 21 162.604 1.696 -5.328 1.00 0.00 H new ATOM 0 HE1 PHE A 21 159.760 2.308 -1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 21 160.889 3.452 -5.310 1.00 0.00 H new ATOM 0 HZ PHE A 21 159.462 3.761 -3.327 1.00 0.00 H new ATOM 337 N LEU A 22 162.353 -1.796 -5.984 1.00 0.00 N ATOM 338 CA LEU A 22 161.605 -1.846 -7.235 1.00 0.00 C ATOM 339 C LEU A 22 160.574 -2.974 -7.227 1.00 0.00 C ATOM 340 O LEU A 22 159.431 -2.780 -7.639 1.00 0.00 O ATOM 341 CB LEU A 22 162.567 -2.027 -8.414 1.00 0.00 C ATOM 342 CG LEU A 22 162.409 -1.015 -9.552 1.00 0.00 C ATOM 343 CD1 LEU A 22 162.387 0.405 -9.006 1.00 0.00 C ATOM 344 CD2 LEU A 22 163.532 -1.180 -10.565 1.00 0.00 C ATOM 0 H LEU A 22 163.348 -2.001 -6.080 1.00 0.00 H new ATOM 0 HA LEU A 22 161.070 -0.902 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 22 163.589 -1.970 -8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 22 162.432 -3.029 -8.821 1.00 0.00 H new ATOM 0 HG LEU A 22 161.459 -1.203 -10.053 1.00 0.00 H new ATOM 0 HD11 LEU A 22 162.274 1.110 -9.830 1.00 0.00 H new ATOM 0 HD12 LEU A 22 161.551 0.517 -8.316 1.00 0.00 H new ATOM 0 HD13 LEU A 22 163.320 0.607 -8.481 1.00 0.00 H new ATOM 0 HD21 LEU A 22 163.407 -0.454 -11.368 1.00 0.00 H new ATOM 0 HD22 LEU A 22 164.492 -1.016 -10.074 1.00 0.00 H new ATOM 0 HD23 LEU A 22 163.503 -2.188 -10.979 1.00 0.00 H new ATOM 356 N GLU A 23 160.984 -4.155 -6.770 1.00 0.00 N ATOM 357 CA GLU A 23 160.087 -5.309 -6.731 1.00 0.00 C ATOM 358 C GLU A 23 159.566 -5.577 -5.319 1.00 0.00 C ATOM 359 O GLU A 23 158.468 -6.106 -5.144 1.00 0.00 O ATOM 360 CB GLU A 23 160.809 -6.548 -7.265 1.00 0.00 C ATOM 361 CG GLU A 23 161.919 -7.051 -6.354 1.00 0.00 C ATOM 362 CD GLU A 23 162.356 -8.463 -6.694 1.00 0.00 C ATOM 363 OE1 GLU A 23 162.652 -8.724 -7.879 1.00 0.00 O ATOM 364 OE2 GLU A 23 162.401 -9.308 -5.775 1.00 0.00 O ATOM 0 H GLU A 23 161.926 -4.338 -6.423 1.00 0.00 H new ATOM 0 HA GLU A 23 159.228 -5.083 -7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 23 160.082 -7.346 -7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 23 161.231 -6.318 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 23 162.776 -6.382 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 23 161.578 -7.019 -5.319 1.00 0.00 H new ATOM 371 N MET A 24 160.360 -5.216 -4.318 1.00 0.00 N ATOM 372 CA MET A 24 159.981 -5.425 -2.924 1.00 0.00 C ATOM 373 C MET A 24 158.878 -4.460 -2.501 1.00 0.00 C ATOM 374 O MET A 24 157.853 -4.875 -1.959 1.00 0.00 O ATOM 375 CB MET A 24 161.201 -5.256 -2.015 1.00 0.00 C ATOM 376 CG MET A 24 161.662 -6.553 -1.370 1.00 0.00 C ATOM 377 SD MET A 24 162.258 -6.317 0.315 1.00 0.00 S ATOM 378 CE MET A 24 160.712 -6.105 1.194 1.00 0.00 C ATOM 0 H MET A 24 161.272 -4.776 -4.445 1.00 0.00 H new ATOM 0 HA MET A 24 159.599 -6.441 -2.828 1.00 0.00 H new ATOM 0 HB2 MET A 24 162.022 -4.837 -2.597 1.00 0.00 H new ATOM 0 HB3 MET A 24 160.964 -4.535 -1.233 1.00 0.00 H new ATOM 0 HG2 MET A 24 160.836 -7.264 -1.363 1.00 0.00 H new ATOM 0 HG3 MET A 24 162.456 -6.992 -1.974 1.00 0.00 H new ATOM 0 HE1 MET A 24 160.793 -6.550 2.186 1.00 0.00 H new ATOM 0 HE2 MET A 24 160.491 -5.042 1.291 1.00 0.00 H new ATOM 0 HE3 MET A 24 159.909 -6.593 0.641 1.00 0.00 H new ATOM 388 N ALA A 25 159.094 -3.172 -2.750 1.00 0.00 N ATOM 389 CA ALA A 25 158.117 -2.149 -2.390 1.00 0.00 C ATOM 390 C ALA A 25 156.737 -2.480 -2.950 1.00 0.00 C ATOM 391 O ALA A 25 156.494 -2.346 -4.149 1.00 0.00 O ATOM 392 CB ALA A 25 158.576 -0.786 -2.888 1.00 0.00 C ATOM 0 H ALA A 25 159.936 -2.812 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 25 158.040 -2.123 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 25 157.839 -0.031 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 25 159.536 -0.538 -2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 25 158.682 -0.812 -3.973 1.00 0.00 H new ATOM 398 N GLY A 26 155.836 -2.915 -2.073 1.00 0.00 N ATOM 399 CA GLY A 26 154.493 -3.259 -2.501 1.00 0.00 C ATOM 400 C GLY A 26 153.536 -3.439 -1.338 1.00 0.00 C ATOM 401 O GLY A 26 152.791 -2.521 -0.991 1.00 0.00 O ATOM 0 H GLY A 26 156.012 -3.035 -1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 26 154.115 -2.477 -3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 26 154.526 -4.179 -3.084 1.00 0.00 H new ATOM 405 N GLU A 27 153.552 -4.625 -0.737 1.00 0.00 N ATOM 406 CA GLU A 27 152.674 -4.923 0.391 1.00 0.00 C ATOM 407 C GLU A 27 153.388 -4.719 1.727 1.00 0.00 C ATOM 408 O GLU A 27 152.805 -4.944 2.788 1.00 0.00 O ATOM 409 CB GLU A 27 152.161 -6.361 0.294 1.00 0.00 C ATOM 410 CG GLU A 27 151.539 -6.694 -1.052 1.00 0.00 C ATOM 411 CD GLU A 27 150.061 -6.364 -1.109 1.00 0.00 C ATOM 412 OE1 GLU A 27 149.721 -5.162 -1.117 1.00 0.00 O ATOM 413 OE2 GLU A 27 149.243 -7.307 -1.145 1.00 0.00 O ATOM 0 H GLU A 27 154.162 -5.395 -1.011 1.00 0.00 H new ATOM 0 HA GLU A 27 151.833 -4.232 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 27 152.987 -7.046 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 27 151.422 -6.528 1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 27 152.061 -6.144 -1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 27 151.679 -7.755 -1.260 1.00 0.00 H new ATOM 420 N ASN A 28 154.648 -4.294 1.675 1.00 0.00 N ATOM 421 CA ASN A 28 155.424 -4.066 2.888 1.00 0.00 C ATOM 422 C ASN A 28 155.323 -2.612 3.337 1.00 0.00 C ATOM 423 O ASN A 28 155.430 -2.310 4.526 1.00 0.00 O ATOM 424 CB ASN A 28 156.890 -4.440 2.658 1.00 0.00 C ATOM 425 CG ASN A 28 157.042 -5.789 1.982 1.00 0.00 C ATOM 426 OD1 ASN A 28 157.039 -5.885 0.755 1.00 0.00 O ATOM 427 ND2 ASN A 28 157.177 -6.841 2.782 1.00 0.00 N ATOM 0 H ASN A 28 155.151 -4.102 0.809 1.00 0.00 H new ATOM 0 HA ASN A 28 155.013 -4.698 3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 28 157.366 -3.674 2.046 1.00 0.00 H new ATOM 0 HB3 ASN A 28 157.413 -4.455 3.614 1.00 0.00 H new ATOM 0 HD21 ASN A 28 157.284 -7.774 2.384 1.00 0.00 H new ATOM 0 HD22 ASN A 28 157.174 -6.716 3.794 1.00 0.00 H new ATOM 434 N LEU A 29 155.116 -1.714 2.379 1.00 0.00 N ATOM 435 CA LEU A 29 155.002 -0.290 2.676 1.00 0.00 C ATOM 436 C LEU A 29 153.538 0.125 2.801 1.00 0.00 C ATOM 437 O LEU A 29 152.688 -0.320 2.030 1.00 0.00 O ATOM 438 CB LEU A 29 155.688 0.532 1.584 1.00 0.00 C ATOM 439 CG LEU A 29 156.161 1.920 2.017 1.00 0.00 C ATOM 440 CD1 LEU A 29 157.297 2.400 1.127 1.00 0.00 C ATOM 441 CD2 LEU A 29 155.005 2.905 1.986 1.00 0.00 C ATOM 0 H LEU A 29 155.024 -1.947 1.390 1.00 0.00 H new ATOM 0 HA LEU A 29 155.495 -0.100 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 29 156.547 -0.028 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 29 154.998 0.645 0.748 1.00 0.00 H new ATOM 0 HG LEU A 29 156.533 1.855 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 29 157.620 3.389 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 29 158.133 1.704 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 29 156.953 2.451 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 29 155.357 3.889 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 29 154.606 2.965 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 29 154.222 2.568 2.665 1.00 0.00 H new ATOM 453 N ASP A 30 153.249 0.974 3.786 1.00 0.00 N ATOM 454 CA ASP A 30 151.886 1.444 4.024 1.00 0.00 C ATOM 455 C ASP A 30 151.235 1.972 2.743 1.00 0.00 C ATOM 456 O ASP A 30 151.915 2.473 1.851 1.00 0.00 O ATOM 457 CB ASP A 30 151.886 2.536 5.096 1.00 0.00 C ATOM 458 CG ASP A 30 150.810 2.319 6.142 1.00 0.00 C ATOM 459 OD1 ASP A 30 150.931 1.354 6.926 1.00 0.00 O ATOM 460 OD2 ASP A 30 149.847 3.114 6.178 1.00 0.00 O ATOM 0 H ASP A 30 153.942 1.351 4.433 1.00 0.00 H new ATOM 0 HA ASP A 30 151.300 0.593 4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 30 152.861 2.564 5.582 1.00 0.00 H new ATOM 0 HB3 ASP A 30 151.738 3.506 4.622 1.00 0.00 H new ATOM 465 N PRO A 31 149.897 1.858 2.636 1.00 0.00 N ATOM 466 CA PRO A 31 149.138 2.311 1.459 1.00 0.00 C ATOM 467 C PRO A 31 149.078 3.835 1.313 1.00 0.00 C ATOM 468 O PRO A 31 148.161 4.363 0.684 1.00 0.00 O ATOM 469 CB PRO A 31 147.725 1.756 1.696 1.00 0.00 C ATOM 470 CG PRO A 31 147.854 0.789 2.825 1.00 0.00 C ATOM 471 CD PRO A 31 149.017 1.259 3.644 1.00 0.00 C ATOM 0 HA PRO A 31 149.612 1.963 0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 31 147.027 2.556 1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 31 147.342 1.264 0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 31 146.942 0.763 3.422 1.00 0.00 H new ATOM 0 HG3 PRO A 31 148.022 -0.222 2.455 1.00 0.00 H new ATOM 0 HD2 PRO A 31 148.714 1.984 4.400 1.00 0.00 H new ATOM 0 HD3 PRO A 31 149.503 0.436 4.168 1.00 0.00 H new ATOM 479 N ALA A 32 150.057 4.538 1.872 1.00 0.00 N ATOM 480 CA ALA A 32 150.108 5.992 1.773 1.00 0.00 C ATOM 481 C ALA A 32 151.395 6.419 1.079 1.00 0.00 C ATOM 482 O ALA A 32 151.377 6.934 -0.045 1.00 0.00 O ATOM 483 CB ALA A 32 150.010 6.623 3.154 1.00 0.00 C ATOM 0 H ALA A 32 150.826 4.124 2.399 1.00 0.00 H new ATOM 0 HA ALA A 32 149.260 6.336 1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 32 150.050 7.708 3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 32 149.069 6.333 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 32 150.841 6.281 3.770 1.00 0.00 H new ATOM 489 N ASP A 33 152.519 6.182 1.748 1.00 0.00 N ATOM 490 CA ASP A 33 153.820 6.524 1.183 1.00 0.00 C ATOM 491 C ASP A 33 154.005 5.812 -0.156 1.00 0.00 C ATOM 492 O ASP A 33 154.781 6.253 -1.002 1.00 0.00 O ATOM 493 CB ASP A 33 154.975 6.172 2.139 1.00 0.00 C ATOM 494 CG ASP A 33 154.524 5.901 3.564 1.00 0.00 C ATOM 495 OD1 ASP A 33 153.661 5.019 3.756 1.00 0.00 O ATOM 496 OD2 ASP A 33 155.035 6.571 4.486 1.00 0.00 O ATOM 0 H ASP A 33 152.556 5.758 2.675 1.00 0.00 H new ATOM 0 HA ASP A 33 153.844 7.603 1.030 1.00 0.00 H new ATOM 0 HB2 ASP A 33 155.496 5.293 1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 33 155.694 6.991 2.144 1.00 0.00 H new ATOM 501 N ILE A 34 153.254 4.727 -0.362 1.00 0.00 N ATOM 502 CA ILE A 34 153.314 3.990 -1.616 1.00 0.00 C ATOM 503 C ILE A 34 152.839 4.895 -2.745 1.00 0.00 C ATOM 504 O ILE A 34 153.429 4.929 -3.825 1.00 0.00 O ATOM 505 CB ILE A 34 152.443 2.711 -1.573 1.00 0.00 C ATOM 506 CG1 ILE A 34 153.115 1.639 -0.710 1.00 0.00 C ATOM 507 CG2 ILE A 34 152.190 2.178 -2.979 1.00 0.00 C ATOM 508 CD1 ILE A 34 152.311 0.361 -0.597 1.00 0.00 C ATOM 0 H ILE A 34 152.602 4.345 0.323 1.00 0.00 H new ATOM 0 HA ILE A 34 154.346 3.681 -1.783 1.00 0.00 H new ATOM 0 HB ILE A 34 151.482 2.968 -1.128 1.00 0.00 H new ATOM 0 HG12 ILE A 34 154.094 1.407 -1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 34 153.284 2.042 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 34 151.576 1.279 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 34 151.672 2.935 -3.567 1.00 0.00 H new ATOM 0 HG23 ILE A 34 153.141 1.938 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 34 152.848 -0.352 0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 34 151.342 0.579 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 34 152.164 -0.065 -1.589 1.00 0.00 H new ATOM 520 N LEU A 35 151.776 5.645 -2.471 1.00 0.00 N ATOM 521 CA LEU A 35 151.227 6.575 -3.445 1.00 0.00 C ATOM 522 C LEU A 35 152.270 7.629 -3.788 1.00 0.00 C ATOM 523 O LEU A 35 152.517 7.919 -4.958 1.00 0.00 O ATOM 524 CB LEU A 35 149.962 7.238 -2.893 1.00 0.00 C ATOM 525 CG LEU A 35 149.424 8.408 -3.725 1.00 0.00 C ATOM 526 CD1 LEU A 35 148.064 8.066 -4.316 1.00 0.00 C ATOM 527 CD2 LEU A 35 149.335 9.670 -2.878 1.00 0.00 C ATOM 0 H LEU A 35 151.279 5.625 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 35 150.961 6.029 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 35 149.181 6.482 -2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 35 150.168 7.595 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 35 150.118 8.591 -4.545 1.00 0.00 H new ATOM 0 HD11 LEU A 35 147.700 8.909 -4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 35 148.156 7.190 -4.958 1.00 0.00 H new ATOM 0 HD13 LEU A 35 147.361 7.853 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 35 148.951 10.490 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 35 148.664 9.497 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 35 150.326 9.928 -2.505 1.00 0.00 H new ATOM 539 N LEU A 36 152.895 8.189 -2.753 1.00 0.00 N ATOM 540 CA LEU A 36 153.931 9.201 -2.943 1.00 0.00 C ATOM 541 C LEU A 36 155.030 8.667 -3.859 1.00 0.00 C ATOM 542 O LEU A 36 155.533 9.375 -4.730 1.00 0.00 O ATOM 543 CB LEU A 36 154.523 9.613 -1.590 1.00 0.00 C ATOM 544 CG LEU A 36 154.163 11.025 -1.121 1.00 0.00 C ATOM 545 CD1 LEU A 36 154.949 12.063 -1.905 1.00 0.00 C ATOM 546 CD2 LEU A 36 152.667 11.270 -1.255 1.00 0.00 C ATOM 0 H LEU A 36 152.702 7.960 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 36 153.482 10.077 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 36 154.190 8.901 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 36 155.609 9.533 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 36 154.430 11.116 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 36 154.680 13.061 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 36 156.016 11.901 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 36 154.715 11.972 -2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 36 152.432 12.279 -0.916 1.00 0.00 H new ATOM 0 HD22 LEU A 36 152.372 11.159 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 36 152.124 10.547 -0.646 1.00 0.00 H new ATOM 558 N PHE A 37 155.381 7.402 -3.659 1.00 0.00 N ATOM 559 CA PHE A 37 156.404 6.747 -4.466 1.00 0.00 C ATOM 560 C PHE A 37 156.014 6.782 -5.943 1.00 0.00 C ATOM 561 O PHE A 37 156.870 6.870 -6.823 1.00 0.00 O ATOM 562 CB PHE A 37 156.595 5.299 -3.987 1.00 0.00 C ATOM 563 CG PHE A 37 157.313 4.402 -4.960 1.00 0.00 C ATOM 564 CD1 PHE A 37 158.323 4.895 -5.769 1.00 0.00 C ATOM 565 CD2 PHE A 37 156.975 3.061 -5.058 1.00 0.00 C ATOM 566 CE1 PHE A 37 158.984 4.069 -6.659 1.00 0.00 C ATOM 567 CE2 PHE A 37 157.632 2.230 -5.946 1.00 0.00 C ATOM 568 CZ PHE A 37 158.638 2.735 -6.747 1.00 0.00 C ATOM 0 H PHE A 37 154.969 6.806 -2.941 1.00 0.00 H new ATOM 0 HA PHE A 37 157.348 7.280 -4.351 1.00 0.00 H new ATOM 0 HB2 PHE A 37 157.150 5.312 -3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 37 155.616 4.870 -3.773 1.00 0.00 H new ATOM 0 HD1 PHE A 37 158.598 5.937 -5.704 1.00 0.00 H new ATOM 0 HD2 PHE A 37 156.190 2.661 -4.434 1.00 0.00 H new ATOM 0 HE1 PHE A 37 159.770 4.466 -7.284 1.00 0.00 H new ATOM 0 HE2 PHE A 37 157.359 1.187 -6.014 1.00 0.00 H new ATOM 0 HZ PHE A 37 159.153 2.087 -7.441 1.00 0.00 H new ATOM 578 N ASN A 38 154.712 6.717 -6.205 1.00 0.00 N ATOM 579 CA ASN A 38 154.203 6.742 -7.571 1.00 0.00 C ATOM 580 C ASN A 38 154.249 8.154 -8.152 1.00 0.00 C ATOM 581 O ASN A 38 154.756 8.363 -9.254 1.00 0.00 O ATOM 582 CB ASN A 38 152.770 6.207 -7.611 1.00 0.00 C ATOM 583 CG ASN A 38 152.710 4.746 -8.009 1.00 0.00 C ATOM 584 OD1 ASN A 38 151.887 4.349 -8.835 1.00 0.00 O ATOM 585 ND2 ASN A 38 153.583 3.935 -7.422 1.00 0.00 N ATOM 0 H ASN A 38 153.990 6.647 -5.488 1.00 0.00 H new ATOM 0 HA ASN A 38 154.842 6.102 -8.179 1.00 0.00 H new ATOM 0 HB2 ASN A 38 152.311 6.333 -6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 38 152.184 6.797 -8.316 1.00 0.00 H new ATOM 0 HD21 ASN A 38 153.589 2.941 -7.650 1.00 0.00 H new ATOM 0 HD22 ASN A 38 154.248 4.306 -6.743 1.00 0.00 H new ATOM 592 N LEU A 39 153.711 9.118 -7.409 1.00 0.00 N ATOM 593 CA LEU A 39 153.689 10.505 -7.863 1.00 0.00 C ATOM 594 C LEU A 39 155.099 11.086 -7.937 1.00 0.00 C ATOM 595 O LEU A 39 155.424 11.824 -8.867 1.00 0.00 O ATOM 596 CB LEU A 39 152.808 11.357 -6.943 1.00 0.00 C ATOM 597 CG LEU A 39 151.300 11.194 -7.149 1.00 0.00 C ATOM 598 CD1 LEU A 39 150.947 11.271 -8.626 1.00 0.00 C ATOM 599 CD2 LEU A 39 150.825 9.878 -6.553 1.00 0.00 C ATOM 0 H LEU A 39 153.286 8.965 -6.494 1.00 0.00 H new ATOM 0 HA LEU A 39 153.266 10.521 -8.867 1.00 0.00 H new ATOM 0 HB2 LEU A 39 153.046 11.110 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 39 153.067 12.406 -7.088 1.00 0.00 H new ATOM 0 HG LEU A 39 150.792 12.011 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 39 149.870 11.153 -8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 39 151.254 12.239 -9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 39 151.463 10.477 -9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 39 149.751 9.776 -6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 39 151.342 9.051 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 39 151.042 9.863 -5.485 1.00 0.00 H new ATOM 611 N GLN A 40 155.941 10.742 -6.964 1.00 0.00 N ATOM 612 CA GLN A 40 157.315 11.222 -6.942 1.00 0.00 C ATOM 613 C GLN A 40 158.278 10.048 -7.106 1.00 0.00 C ATOM 614 O GLN A 40 157.905 8.999 -7.632 1.00 0.00 O ATOM 615 CB GLN A 40 157.633 11.998 -5.645 1.00 0.00 C ATOM 616 CG GLN A 40 156.448 12.246 -4.724 1.00 0.00 C ATOM 617 CD GLN A 40 155.868 13.639 -4.879 1.00 0.00 C ATOM 618 OE1 GLN A 40 156.177 14.542 -4.102 1.00 0.00 O ATOM 619 NE2 GLN A 40 155.020 13.819 -5.885 1.00 0.00 N ATOM 0 H GLN A 40 155.693 10.134 -6.184 1.00 0.00 H new ATOM 0 HA GLN A 40 157.440 11.914 -7.775 1.00 0.00 H new ATOM 0 HB2 GLN A 40 158.393 11.448 -5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 40 158.069 12.960 -5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 40 155.672 11.509 -4.930 1.00 0.00 H new ATOM 0 HG3 GLN A 40 156.760 12.100 -3.690 1.00 0.00 H new ATOM 0 HE21 GLN A 40 154.792 13.042 -6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 40 154.597 14.734 -6.038 1.00 0.00 H new ATOM 628 N PHE A 41 159.517 10.237 -6.660 1.00 0.00 N ATOM 629 CA PHE A 41 160.557 9.210 -6.751 1.00 0.00 C ATOM 630 C PHE A 41 161.233 9.225 -8.123 1.00 0.00 C ATOM 631 O PHE A 41 162.390 8.828 -8.259 1.00 0.00 O ATOM 632 CB PHE A 41 159.988 7.816 -6.466 1.00 0.00 C ATOM 633 CG PHE A 41 161.011 6.856 -5.931 1.00 0.00 C ATOM 634 CD1 PHE A 41 161.845 6.160 -6.792 1.00 0.00 C ATOM 635 CD2 PHE A 41 161.144 6.652 -4.567 1.00 0.00 C ATOM 636 CE1 PHE A 41 162.791 5.280 -6.303 1.00 0.00 C ATOM 637 CE2 PHE A 41 162.087 5.772 -4.072 1.00 0.00 C ATOM 638 CZ PHE A 41 162.913 5.085 -4.941 1.00 0.00 C ATOM 0 H PHE A 41 159.831 11.105 -6.225 1.00 0.00 H new ATOM 0 HA PHE A 41 161.305 9.442 -5.993 1.00 0.00 H new ATOM 0 HB2 PHE A 41 159.172 7.904 -5.749 1.00 0.00 H new ATOM 0 HB3 PHE A 41 159.563 7.410 -7.384 1.00 0.00 H new ATOM 0 HD1 PHE A 41 161.754 6.307 -7.858 1.00 0.00 H new ATOM 0 HD2 PHE A 41 160.503 7.187 -3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 41 163.435 4.745 -6.985 1.00 0.00 H new ATOM 0 HE2 PHE A 41 162.179 5.621 -3.007 1.00 0.00 H new ATOM 0 HZ PHE A 41 163.652 4.398 -4.556 1.00 0.00 H new ATOM 648 N GLU A 42 160.507 9.688 -9.138 1.00 0.00 N ATOM 649 CA GLU A 42 161.035 9.761 -10.496 1.00 0.00 C ATOM 650 C GLU A 42 161.749 11.089 -10.720 1.00 0.00 C ATOM 651 O GLU A 42 162.733 11.166 -11.456 1.00 0.00 O ATOM 652 CB GLU A 42 159.896 9.609 -11.505 1.00 0.00 C ATOM 653 CG GLU A 42 160.321 9.830 -12.947 1.00 0.00 C ATOM 654 CD GLU A 42 161.232 8.734 -13.463 1.00 0.00 C ATOM 655 OE1 GLU A 42 162.434 8.752 -13.124 1.00 0.00 O ATOM 656 OE2 GLU A 42 160.743 7.856 -14.206 1.00 0.00 O ATOM 0 H GLU A 42 159.547 10.019 -9.044 1.00 0.00 H new ATOM 0 HA GLU A 42 161.751 8.951 -10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 42 159.470 8.610 -11.410 1.00 0.00 H new ATOM 0 HB3 GLU A 42 159.106 10.317 -11.256 1.00 0.00 H new ATOM 0 HG2 GLU A 42 159.434 9.887 -13.578 1.00 0.00 H new ATOM 0 HG3 GLU A 42 160.832 10.789 -13.028 1.00 0.00 H new ATOM 663 N GLU A 43 161.244 12.127 -10.069 1.00 0.00 N ATOM 664 CA GLU A 43 161.824 13.460 -10.176 1.00 0.00 C ATOM 665 C GLU A 43 162.586 13.819 -8.904 1.00 0.00 C ATOM 666 O GLU A 43 163.539 14.597 -8.937 1.00 0.00 O ATOM 667 CB GLU A 43 160.731 14.498 -10.440 1.00 0.00 C ATOM 668 CG GLU A 43 161.261 15.810 -10.996 1.00 0.00 C ATOM 669 CD GLU A 43 160.277 16.488 -11.929 1.00 0.00 C ATOM 670 OE1 GLU A 43 159.932 15.886 -12.968 1.00 0.00 O ATOM 671 OE2 GLU A 43 159.851 17.621 -11.621 1.00 0.00 O ATOM 0 H GLU A 43 160.429 12.072 -9.458 1.00 0.00 H new ATOM 0 HA GLU A 43 162.522 13.461 -11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 43 160.007 14.082 -11.141 1.00 0.00 H new ATOM 0 HB3 GLU A 43 160.197 14.696 -9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 43 161.495 16.482 -10.170 1.00 0.00 H new ATOM 0 HG3 GLU A 43 162.193 15.624 -11.530 1.00 0.00 H new ATOM 678 N ARG A 44 162.160 13.242 -7.784 1.00 0.00 N ATOM 679 CA ARG A 44 162.801 13.495 -6.499 1.00 0.00 C ATOM 680 C ARG A 44 163.283 12.191 -5.869 1.00 0.00 C ATOM 681 O ARG A 44 163.171 11.996 -4.659 1.00 0.00 O ATOM 682 CB ARG A 44 161.829 14.201 -5.552 1.00 0.00 C ATOM 683 CG ARG A 44 161.518 15.634 -5.953 1.00 0.00 C ATOM 684 CD ARG A 44 160.461 15.692 -7.045 1.00 0.00 C ATOM 685 NE ARG A 44 159.173 16.157 -6.534 1.00 0.00 N ATOM 686 CZ ARG A 44 158.205 16.650 -7.302 1.00 0.00 C ATOM 687 NH1 ARG A 44 158.372 16.743 -8.616 1.00 0.00 N ATOM 688 NH2 ARG A 44 157.065 17.052 -6.756 1.00 0.00 N ATOM 0 H ARG A 44 161.372 12.595 -7.741 1.00 0.00 H new ATOM 0 HA ARG A 44 163.664 14.139 -6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 44 160.899 13.634 -5.512 1.00 0.00 H new ATOM 0 HB3 ARG A 44 162.248 14.197 -4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 44 161.172 16.190 -5.081 1.00 0.00 H new ATOM 0 HG3 ARG A 44 162.429 16.121 -6.301 1.00 0.00 H new ATOM 0 HD2 ARG A 44 160.797 16.357 -7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 44 160.341 14.703 -7.486 1.00 0.00 H new ATOM 0 HE ARG A 44 159.006 16.100 -5.529 1.00 0.00 H new ATOM 0 HH11 ARG A 44 159.246 16.436 -9.042 1.00 0.00 H new ATOM 0 HH12 ARG A 44 157.626 17.122 -9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 44 156.930 16.983 -5.747 1.00 0.00 H new ATOM 0 HH22 ARG A 44 156.323 17.430 -7.345 1.00 0.00 H new ATOM 702 N GLY A 45 163.816 11.299 -6.698 1.00 0.00 N ATOM 703 CA GLY A 45 164.302 10.024 -6.203 1.00 0.00 C ATOM 704 C GLY A 45 165.793 10.033 -5.931 1.00 0.00 C ATOM 705 O GLY A 45 166.586 10.422 -6.788 1.00 0.00 O ATOM 0 H GLY A 45 163.920 11.436 -7.703 1.00 0.00 H new ATOM 0 HA2 GLY A 45 163.771 9.768 -5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 45 164.074 9.245 -6.931 1.00 0.00 H new ATOM 709 N GLY A 46 166.174 9.597 -4.735 1.00 0.00 N ATOM 710 CA GLY A 46 167.578 9.558 -4.372 1.00 0.00 C ATOM 711 C GLY A 46 167.885 8.451 -3.382 1.00 0.00 C ATOM 712 O GLY A 46 167.236 8.343 -2.342 1.00 0.00 O ATOM 0 H GLY A 46 165.535 9.270 -4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 46 168.180 9.417 -5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 46 167.867 10.517 -3.942 1.00 0.00 H new ATOM 716 N VAL A 47 168.876 7.627 -3.705 1.00 0.00 N ATOM 717 CA VAL A 47 169.267 6.525 -2.835 1.00 0.00 C ATOM 718 C VAL A 47 170.763 6.571 -2.540 1.00 0.00 C ATOM 719 O VAL A 47 171.588 6.373 -3.431 1.00 0.00 O ATOM 720 CB VAL A 47 168.915 5.163 -3.465 1.00 0.00 C ATOM 721 CG1 VAL A 47 169.216 4.028 -2.497 1.00 0.00 C ATOM 722 CG2 VAL A 47 167.454 5.135 -3.890 1.00 0.00 C ATOM 0 H VAL A 47 169.423 7.702 -4.563 1.00 0.00 H new ATOM 0 HA VAL A 47 168.712 6.637 -1.904 1.00 0.00 H new ATOM 0 HB VAL A 47 169.533 5.025 -4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 47 168.960 3.076 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 47 170.277 4.036 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 47 168.627 4.158 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 47 167.222 4.166 -4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 47 166.819 5.297 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 47 167.273 5.921 -4.623 1.00 0.00 H new ATOM 732 N GLU A 48 171.105 6.838 -1.283 1.00 0.00 N ATOM 733 CA GLU A 48 172.502 6.915 -0.872 1.00 0.00 C ATOM 734 C GLU A 48 172.964 5.602 -0.250 1.00 0.00 C ATOM 735 O GLU A 48 172.167 4.686 -0.044 1.00 0.00 O ATOM 736 CB GLU A 48 172.699 8.062 0.122 1.00 0.00 C ATOM 737 CG GLU A 48 171.951 7.869 1.430 1.00 0.00 C ATOM 738 CD GLU A 48 172.387 8.850 2.501 1.00 0.00 C ATOM 739 OE1 GLU A 48 172.320 10.071 2.249 1.00 0.00 O ATOM 740 OE2 GLU A 48 172.795 8.396 3.591 1.00 0.00 O ATOM 0 H GLU A 48 170.434 7.004 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 48 173.105 7.104 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 48 173.763 8.169 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 48 172.371 8.993 -0.341 1.00 0.00 H new ATOM 0 HG2 GLU A 48 170.881 7.982 1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 48 172.109 6.852 1.788 1.00 0.00 H new ATOM 747 N PHE A 49 174.257 5.516 0.045 1.00 0.00 N ATOM 748 CA PHE A 49 174.828 4.314 0.642 1.00 0.00 C ATOM 749 C PHE A 49 175.602 4.648 1.914 1.00 0.00 C ATOM 750 O PHE A 49 176.543 5.442 1.889 1.00 0.00 O ATOM 751 CB PHE A 49 175.749 3.614 -0.359 1.00 0.00 C ATOM 752 CG PHE A 49 176.357 2.348 0.171 1.00 0.00 C ATOM 753 CD1 PHE A 49 177.388 2.394 1.096 1.00 0.00 C ATOM 754 CD2 PHE A 49 175.897 1.112 -0.254 1.00 0.00 C ATOM 755 CE1 PHE A 49 177.948 1.231 1.587 1.00 0.00 C ATOM 756 CE2 PHE A 49 176.454 -0.054 0.234 1.00 0.00 C ATOM 757 CZ PHE A 49 177.480 0.006 1.156 1.00 0.00 C ATOM 0 H PHE A 49 174.930 6.265 -0.120 1.00 0.00 H new ATOM 0 HA PHE A 49 174.008 3.645 0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 49 175.184 3.386 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 49 176.547 4.298 -0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 49 177.758 3.350 1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 49 175.094 1.060 -0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 49 178.751 1.280 2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 49 176.087 -1.012 -0.105 1.00 0.00 H new ATOM 0 HZ PHE A 49 177.916 -0.905 1.540 1.00 0.00 H new ATOM 767 N VAL A 50 175.203 4.032 3.022 1.00 0.00 N ATOM 768 CA VAL A 50 175.860 4.257 4.303 1.00 0.00 C ATOM 769 C VAL A 50 176.416 2.948 4.864 1.00 0.00 C ATOM 770 O VAL A 50 176.513 1.951 4.146 1.00 0.00 O ATOM 771 CB VAL A 50 174.896 4.897 5.324 1.00 0.00 C ATOM 772 CG1 VAL A 50 174.374 6.226 4.801 1.00 0.00 C ATOM 773 CG2 VAL A 50 173.744 3.957 5.641 1.00 0.00 C ATOM 0 H VAL A 50 174.426 3.372 3.058 1.00 0.00 H new ATOM 0 HA VAL A 50 176.685 4.948 4.130 1.00 0.00 H new ATOM 0 HB VAL A 50 175.447 5.081 6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 50 173.696 6.664 5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 50 175.210 6.904 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 50 173.841 6.064 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 50 173.077 4.429 6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 50 173.192 3.737 4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 50 174.135 3.030 6.061 1.00 0.00 H new ATOM 783 N GLU A 51 176.777 2.946 6.144 1.00 0.00 N ATOM 784 CA GLU A 51 177.318 1.750 6.779 1.00 0.00 C ATOM 785 C GLU A 51 176.504 1.369 8.010 1.00 0.00 C ATOM 786 O GLU A 51 175.629 2.118 8.446 1.00 0.00 O ATOM 787 CB GLU A 51 178.780 1.974 7.171 1.00 0.00 C ATOM 788 CG GLU A 51 179.691 2.256 5.987 1.00 0.00 C ATOM 789 CD GLU A 51 180.709 3.340 6.280 1.00 0.00 C ATOM 790 OE1 GLU A 51 180.305 4.514 6.411 1.00 0.00 O ATOM 791 OE2 GLU A 51 181.911 3.014 6.380 1.00 0.00 O ATOM 0 H GLU A 51 176.705 3.756 6.759 1.00 0.00 H new ATOM 0 HA GLU A 51 177.260 0.932 6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 51 178.836 2.809 7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 51 179.145 1.093 7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 51 180.211 1.340 5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 51 179.086 2.553 5.130 1.00 0.00 H new ATOM 798 N THR A 52 176.798 0.199 8.566 1.00 0.00 N ATOM 799 CA THR A 52 176.095 -0.287 9.748 1.00 0.00 C ATOM 800 C THR A 52 176.270 0.674 10.920 1.00 0.00 C ATOM 801 O THR A 52 177.178 1.505 10.924 1.00 0.00 O ATOM 802 CB THR A 52 176.606 -1.675 10.134 1.00 0.00 C ATOM 803 OG1 THR A 52 176.490 -2.574 9.045 1.00 0.00 O ATOM 804 CG2 THR A 52 175.869 -2.280 11.309 1.00 0.00 C ATOM 0 H THR A 52 177.520 -0.432 8.217 1.00 0.00 H new ATOM 0 HA THR A 52 175.034 -0.350 9.508 1.00 0.00 H new ATOM 0 HB THR A 52 177.649 -1.529 10.416 1.00 0.00 H new ATOM 0 HG1 THR A 52 176.952 -2.203 8.264 1.00 0.00 H new ATOM 0 HG21 THR A 52 176.282 -3.264 11.530 1.00 0.00 H new ATOM 0 HG22 THR A 52 175.982 -1.635 12.181 1.00 0.00 H new ATOM 0 HG23 THR A 52 174.811 -2.377 11.064 1.00 0.00 H new ATOM 812 N ALA A 53 175.395 0.553 11.913 1.00 0.00 N ATOM 813 CA ALA A 53 175.451 1.408 13.093 1.00 0.00 C ATOM 814 C ALA A 53 175.803 0.602 14.339 1.00 0.00 C ATOM 815 O ALA A 53 176.165 -0.571 14.249 1.00 0.00 O ATOM 816 CB ALA A 53 174.125 2.128 13.284 1.00 0.00 C ATOM 0 H ALA A 53 174.638 -0.130 11.924 1.00 0.00 H new ATOM 0 HA ALA A 53 176.236 2.149 12.939 1.00 0.00 H new ATOM 0 HB1 ALA A 53 174.180 2.763 14.168 1.00 0.00 H new ATOM 0 HB2 ALA A 53 173.915 2.742 12.408 1.00 0.00 H new ATOM 0 HB3 ALA A 53 173.328 1.395 13.412 1.00 0.00 H new ATOM 822 N ASP A 54 175.693 1.238 15.501 1.00 0.00 N ATOM 823 CA ASP A 54 176.000 0.577 16.766 1.00 0.00 C ATOM 824 C ASP A 54 174.732 0.340 17.583 1.00 0.00 C ATOM 825 O ASP A 54 174.783 0.247 18.810 1.00 0.00 O ATOM 826 CB ASP A 54 176.992 1.415 17.574 1.00 0.00 C ATOM 827 CG ASP A 54 178.433 1.053 17.273 1.00 0.00 C ATOM 828 OD1 ASP A 54 178.954 1.505 16.232 1.00 0.00 O ATOM 829 OD2 ASP A 54 179.041 0.318 18.079 1.00 0.00 O ATOM 0 H ASP A 54 175.394 2.209 15.594 1.00 0.00 H new ATOM 0 HA ASP A 54 176.449 -0.390 16.541 1.00 0.00 H new ATOM 0 HB2 ASP A 54 176.833 2.471 17.357 1.00 0.00 H new ATOM 0 HB3 ASP A 54 176.800 1.275 18.638 1.00 0.00 H new ATOM 834 N ASP A 55 173.598 0.242 16.897 1.00 0.00 N ATOM 835 CA ASP A 55 172.319 0.014 17.559 1.00 0.00 C ATOM 836 C ASP A 55 171.257 -0.405 16.548 1.00 0.00 C ATOM 837 O ASP A 55 170.290 0.320 16.308 1.00 0.00 O ATOM 838 CB ASP A 55 171.872 1.275 18.300 1.00 0.00 C ATOM 839 CG ASP A 55 172.401 1.331 19.720 1.00 0.00 C ATOM 840 OD1 ASP A 55 171.862 0.607 20.583 1.00 0.00 O ATOM 841 OD2 ASP A 55 173.356 2.097 19.968 1.00 0.00 O ATOM 0 H ASP A 55 173.539 0.317 15.881 1.00 0.00 H new ATOM 0 HA ASP A 55 172.446 -0.792 18.281 1.00 0.00 H new ATOM 0 HB2 ASP A 55 172.213 2.154 17.753 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.783 1.315 18.319 1.00 0.00 H new ATOM 846 N TRP A 56 171.448 -1.577 15.953 1.00 0.00 N ATOM 847 CA TRP A 56 170.514 -2.094 14.960 1.00 0.00 C ATOM 848 C TRP A 56 169.507 -3.052 15.592 1.00 0.00 C ATOM 849 O TRP A 56 168.381 -3.185 15.114 1.00 0.00 O ATOM 850 CB TRP A 56 171.277 -2.808 13.844 1.00 0.00 C ATOM 851 CG TRP A 56 171.339 -2.024 12.569 1.00 0.00 C ATOM 852 CD1 TRP A 56 172.454 -1.492 11.988 1.00 0.00 C ATOM 853 CD2 TRP A 56 170.241 -1.685 11.716 1.00 0.00 C ATOM 854 NE1 TRP A 56 172.116 -0.844 10.825 1.00 0.00 N ATOM 855 CE2 TRP A 56 170.762 -0.948 10.636 1.00 0.00 C ATOM 856 CE3 TRP A 56 168.867 -1.934 11.761 1.00 0.00 C ATOM 857 CZ2 TRP A 56 169.957 -0.460 9.611 1.00 0.00 C ATOM 858 CZ3 TRP A 56 168.068 -1.449 10.742 1.00 0.00 C ATOM 859 CH2 TRP A 56 168.615 -0.719 9.680 1.00 0.00 C ATOM 0 H TRP A 56 172.243 -2.188 16.142 1.00 0.00 H new ATOM 0 HA TRP A 56 169.966 -1.249 14.543 1.00 0.00 H new ATOM 0 HB2 TRP A 56 172.292 -3.016 14.183 1.00 0.00 H new ATOM 0 HB3 TRP A 56 170.803 -3.770 13.648 1.00 0.00 H new ATOM 0 HD1 TRP A 56 173.455 -1.569 12.385 1.00 0.00 H new ATOM 0 HE1 TRP A 56 172.766 -0.364 10.203 1.00 0.00 H new ATOM 0 HE3 TRP A 56 168.437 -2.495 12.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 170.376 0.103 8.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 167.005 -1.636 10.766 1.00 0.00 H new ATOM 0 HH2 TRP A 56 167.965 -0.353 8.899 1.00 0.00 H new ATOM 870 N GLU A 57 169.921 -3.724 16.662 1.00 0.00 N ATOM 871 CA GLU A 57 169.055 -4.675 17.350 1.00 0.00 C ATOM 872 C GLU A 57 167.911 -3.961 18.067 1.00 0.00 C ATOM 873 O GLU A 57 167.824 -3.981 19.295 1.00 0.00 O ATOM 874 CB GLU A 57 169.865 -5.500 18.352 1.00 0.00 C ATOM 875 CG GLU A 57 170.918 -6.382 17.702 1.00 0.00 C ATOM 876 CD GLU A 57 171.629 -7.273 18.702 1.00 0.00 C ATOM 877 OE1 GLU A 57 171.094 -8.357 19.017 1.00 0.00 O ATOM 878 OE2 GLU A 57 172.722 -6.888 19.168 1.00 0.00 O ATOM 0 H GLU A 57 170.850 -3.628 17.071 1.00 0.00 H new ATOM 0 HA GLU A 57 168.626 -5.341 16.601 1.00 0.00 H new ATOM 0 HB2 GLU A 57 170.352 -4.825 19.056 1.00 0.00 H new ATOM 0 HB3 GLU A 57 169.184 -6.126 18.929 1.00 0.00 H new ATOM 0 HG2 GLU A 57 170.447 -7.002 16.939 1.00 0.00 H new ATOM 0 HG3 GLU A 57 171.651 -5.754 17.195 1.00 0.00 H new ATOM 885 N GLU A 58 167.037 -3.326 17.292 1.00 0.00 N ATOM 886 CA GLU A 58 165.903 -2.605 17.851 1.00 0.00 C ATOM 887 C GLU A 58 164.802 -2.423 16.810 1.00 0.00 C ATOM 888 O GLU A 58 163.638 -2.737 17.062 1.00 0.00 O ATOM 889 CB GLU A 58 166.362 -1.242 18.369 1.00 0.00 C ATOM 890 CG GLU A 58 166.540 -1.193 19.878 1.00 0.00 C ATOM 891 CD GLU A 58 165.332 -0.614 20.588 1.00 0.00 C ATOM 892 OE1 GLU A 58 165.127 0.615 20.506 1.00 0.00 O ATOM 893 OE2 GLU A 58 164.591 -1.391 21.227 1.00 0.00 O ATOM 0 H GLU A 58 167.094 -3.297 16.274 1.00 0.00 H new ATOM 0 HA GLU A 58 165.497 -3.190 18.676 1.00 0.00 H new ATOM 0 HB2 GLU A 58 167.306 -0.980 17.891 1.00 0.00 H new ATOM 0 HB3 GLU A 58 165.635 -0.486 18.073 1.00 0.00 H new ATOM 0 HG2 GLU A 58 166.728 -2.200 20.251 1.00 0.00 H new ATOM 0 HG3 GLU A 58 167.419 -0.595 20.117 1.00 0.00 H new ATOM 900 N GLU A 59 165.177 -1.907 15.644 1.00 0.00 N ATOM 901 CA GLU A 59 164.217 -1.675 14.566 1.00 0.00 C ATOM 902 C GLU A 59 163.877 -2.970 13.830 1.00 0.00 C ATOM 903 O GLU A 59 162.740 -3.440 13.883 1.00 0.00 O ATOM 904 CB GLU A 59 164.744 -0.629 13.571 1.00 0.00 C ATOM 905 CG GLU A 59 166.257 -0.623 13.400 1.00 0.00 C ATOM 906 CD GLU A 59 166.936 0.419 14.266 1.00 0.00 C ATOM 907 OE1 GLU A 59 167.087 1.569 13.803 1.00 0.00 O ATOM 908 OE2 GLU A 59 167.316 0.086 15.408 1.00 0.00 O ATOM 0 H GLU A 59 166.136 -1.641 15.420 1.00 0.00 H new ATOM 0 HA GLU A 59 163.305 -1.293 15.026 1.00 0.00 H new ATOM 0 HB2 GLU A 59 164.282 -0.806 12.600 1.00 0.00 H new ATOM 0 HB3 GLU A 59 164.425 0.360 13.900 1.00 0.00 H new ATOM 0 HG2 GLU A 59 166.651 -1.609 13.647 1.00 0.00 H new ATOM 0 HG3 GLU A 59 166.500 -0.436 12.354 1.00 0.00 H new ATOM 915 N ILE A 60 164.860 -3.541 13.140 1.00 0.00 N ATOM 916 CA ILE A 60 164.647 -4.777 12.394 1.00 0.00 C ATOM 917 C ILE A 60 164.580 -5.985 13.324 1.00 0.00 C ATOM 918 O ILE A 60 163.778 -6.895 13.116 1.00 0.00 O ATOM 919 CB ILE A 60 165.758 -5.005 11.349 1.00 0.00 C ATOM 920 CG1 ILE A 60 167.134 -5.020 12.019 1.00 0.00 C ATOM 921 CG2 ILE A 60 165.700 -3.932 10.271 1.00 0.00 C ATOM 922 CD1 ILE A 60 168.273 -5.271 11.053 1.00 0.00 C ATOM 0 H ILE A 60 165.808 -3.169 13.082 1.00 0.00 H new ATOM 0 HA ILE A 60 163.692 -4.670 11.880 1.00 0.00 H new ATOM 0 HB ILE A 60 165.596 -5.976 10.880 1.00 0.00 H new ATOM 0 HG12 ILE A 60 167.296 -4.065 12.519 1.00 0.00 H new ATOM 0 HG13 ILE A 60 167.146 -5.790 12.790 1.00 0.00 H new ATOM 0 HG21 ILE A 60 166.490 -4.107 9.541 1.00 0.00 H new ATOM 0 HG22 ILE A 60 164.731 -3.969 9.773 1.00 0.00 H new ATOM 0 HG23 ILE A 60 165.837 -2.951 10.726 1.00 0.00 H new ATOM 0 HD11 ILE A 60 169.218 -5.268 11.596 1.00 0.00 H new ATOM 0 HD12 ILE A 60 168.134 -6.239 10.571 1.00 0.00 H new ATOM 0 HD13 ILE A 60 168.287 -4.487 10.296 1.00 0.00 H new ATOM 934 N GLY A 61 165.424 -5.988 14.351 1.00 0.00 N ATOM 935 CA GLY A 61 165.439 -7.091 15.295 1.00 0.00 C ATOM 936 C GLY A 61 166.272 -8.262 14.810 1.00 0.00 C ATOM 937 O GLY A 61 165.736 -9.233 14.277 1.00 0.00 O ATOM 0 H GLY A 61 166.097 -5.247 14.546 1.00 0.00 H new ATOM 0 HA2 GLY A 61 165.831 -6.742 16.250 1.00 0.00 H new ATOM 0 HA3 GLY A 61 164.417 -7.426 15.473 1.00 0.00 H new ATOM 941 N VAL A 62 167.585 -8.171 15.003 1.00 0.00 N ATOM 942 CA VAL A 62 168.514 -9.225 14.595 1.00 0.00 C ATOM 943 C VAL A 62 169.951 -8.744 14.728 1.00 0.00 C ATOM 944 O VAL A 62 170.231 -7.557 14.569 1.00 0.00 O ATOM 945 CB VAL A 62 168.291 -9.704 13.140 1.00 0.00 C ATOM 946 CG1 VAL A 62 167.495 -10.997 13.122 1.00 0.00 C ATOM 947 CG2 VAL A 62 167.614 -8.632 12.295 1.00 0.00 C ATOM 0 H VAL A 62 168.035 -7.369 15.444 1.00 0.00 H new ATOM 0 HA VAL A 62 168.322 -10.067 15.260 1.00 0.00 H new ATOM 0 HB VAL A 62 169.268 -9.895 12.697 1.00 0.00 H new ATOM 0 HG11 VAL A 62 167.348 -11.319 12.091 1.00 0.00 H new ATOM 0 HG12 VAL A 62 168.039 -11.767 13.669 1.00 0.00 H new ATOM 0 HG13 VAL A 62 166.526 -10.834 13.593 1.00 0.00 H new ATOM 0 HG21 VAL A 62 167.474 -9.004 11.280 1.00 0.00 H new ATOM 0 HG22 VAL A 62 166.645 -8.385 12.728 1.00 0.00 H new ATOM 0 HG23 VAL A 62 168.239 -7.739 12.271 1.00 0.00 H new ATOM 957 N LEU A 63 170.860 -9.665 15.023 1.00 0.00 N ATOM 958 CA LEU A 63 172.269 -9.317 15.177 1.00 0.00 C ATOM 959 C LEU A 63 172.817 -8.685 13.901 1.00 0.00 C ATOM 960 O LEU A 63 172.700 -9.253 12.815 1.00 0.00 O ATOM 961 CB LEU A 63 173.086 -10.560 15.537 1.00 0.00 C ATOM 962 CG LEU A 63 174.077 -10.373 16.687 1.00 0.00 C ATOM 963 CD1 LEU A 63 175.167 -9.386 16.298 1.00 0.00 C ATOM 964 CD2 LEU A 63 173.355 -9.907 17.942 1.00 0.00 C ATOM 0 H LEU A 63 170.650 -10.654 15.160 1.00 0.00 H new ATOM 0 HA LEU A 63 172.352 -8.590 15.985 1.00 0.00 H new ATOM 0 HB2 LEU A 63 172.399 -11.365 15.797 1.00 0.00 H new ATOM 0 HB3 LEU A 63 173.636 -10.883 14.653 1.00 0.00 H new ATOM 0 HG LEU A 63 174.546 -11.334 16.898 1.00 0.00 H new ATOM 0 HD11 LEU A 63 175.862 -9.266 17.129 1.00 0.00 H new ATOM 0 HD12 LEU A 63 175.704 -9.761 15.427 1.00 0.00 H new ATOM 0 HD13 LEU A 63 174.717 -8.422 16.059 1.00 0.00 H new ATOM 0 HD21 LEU A 63 174.075 -9.779 18.750 1.00 0.00 H new ATOM 0 HD22 LEU A 63 172.859 -8.957 17.745 1.00 0.00 H new ATOM 0 HD23 LEU A 63 172.613 -10.651 18.232 1.00 0.00 H new ATOM 976 N ILE A 64 173.414 -7.507 14.041 1.00 0.00 N ATOM 977 CA ILE A 64 173.979 -6.797 12.900 1.00 0.00 C ATOM 978 C ILE A 64 175.444 -6.445 13.138 1.00 0.00 C ATOM 979 O ILE A 64 175.755 -5.418 13.742 1.00 0.00 O ATOM 980 CB ILE A 64 173.196 -5.503 12.596 1.00 0.00 C ATOM 981 CG1 ILE A 64 171.698 -5.793 12.479 1.00 0.00 C ATOM 982 CG2 ILE A 64 173.713 -4.856 11.321 1.00 0.00 C ATOM 983 CD1 ILE A 64 171.371 -6.953 11.563 1.00 0.00 C ATOM 0 H ILE A 64 173.519 -7.024 14.933 1.00 0.00 H new ATOM 0 HA ILE A 64 173.904 -7.469 12.045 1.00 0.00 H new ATOM 0 HB ILE A 64 173.347 -4.809 13.423 1.00 0.00 H new ATOM 0 HG12 ILE A 64 171.299 -6.002 13.472 1.00 0.00 H new ATOM 0 HG13 ILE A 64 171.192 -4.900 12.114 1.00 0.00 H new ATOM 0 HG21 ILE A 64 173.150 -3.944 11.121 1.00 0.00 H new ATOM 0 HG22 ILE A 64 174.769 -4.612 11.439 1.00 0.00 H new ATOM 0 HG23 ILE A 64 173.592 -5.547 10.487 1.00 0.00 H new ATOM 0 HD11 ILE A 64 170.291 -7.098 11.531 1.00 0.00 H new ATOM 0 HD12 ILE A 64 171.739 -6.739 10.559 1.00 0.00 H new ATOM 0 HD13 ILE A 64 171.848 -7.859 11.938 1.00 0.00 H new ATOM 995 N ASP A 65 176.340 -7.300 12.656 1.00 0.00 N ATOM 996 CA ASP A 65 177.771 -7.075 12.813 1.00 0.00 C ATOM 997 C ASP A 65 178.232 -5.907 11.942 1.00 0.00 C ATOM 998 O ASP A 65 178.136 -5.967 10.717 1.00 0.00 O ATOM 999 CB ASP A 65 178.551 -8.338 12.445 1.00 0.00 C ATOM 1000 CG ASP A 65 178.513 -9.382 13.543 1.00 0.00 C ATOM 1001 OD1 ASP A 65 178.866 -9.047 14.693 1.00 0.00 O ATOM 1002 OD2 ASP A 65 178.129 -10.535 13.253 1.00 0.00 O ATOM 0 H ASP A 65 176.100 -8.155 12.154 1.00 0.00 H new ATOM 0 HA ASP A 65 177.965 -6.829 13.857 1.00 0.00 H new ATOM 0 HB2 ASP A 65 178.139 -8.762 11.530 1.00 0.00 H new ATOM 0 HB3 ASP A 65 179.587 -8.073 12.235 1.00 0.00 H new ATOM 1007 N PRO A 66 178.744 -4.825 12.557 1.00 0.00 N ATOM 1008 CA PRO A 66 179.215 -3.655 11.811 1.00 0.00 C ATOM 1009 C PRO A 66 180.368 -4.001 10.877 1.00 0.00 C ATOM 1010 O PRO A 66 181.118 -4.944 11.124 1.00 0.00 O ATOM 1011 CB PRO A 66 179.674 -2.681 12.900 1.00 0.00 C ATOM 1012 CG PRO A 66 179.900 -3.528 14.106 1.00 0.00 C ATOM 1013 CD PRO A 66 178.910 -4.653 14.010 1.00 0.00 C ATOM 0 HA PRO A 66 178.437 -3.243 11.168 1.00 0.00 H new ATOM 0 HB2 PRO A 66 180.586 -2.162 12.606 1.00 0.00 H new ATOM 0 HB3 PRO A 66 178.920 -1.917 13.090 1.00 0.00 H new ATOM 0 HG2 PRO A 66 180.921 -3.908 14.131 1.00 0.00 H new ATOM 0 HG3 PRO A 66 179.751 -2.954 15.020 1.00 0.00 H new ATOM 0 HD2 PRO A 66 179.283 -5.561 14.484 1.00 0.00 H new ATOM 0 HD3 PRO A 66 177.967 -4.404 14.497 1.00 0.00 H new ATOM 1021 N GLU A 67 180.493 -3.239 9.795 1.00 0.00 N ATOM 1022 CA GLU A 67 181.547 -3.468 8.808 1.00 0.00 C ATOM 1023 C GLU A 67 181.313 -4.766 8.029 1.00 0.00 C ATOM 1024 O GLU A 67 182.092 -5.113 7.141 1.00 0.00 O ATOM 1025 CB GLU A 67 182.919 -3.508 9.487 1.00 0.00 C ATOM 1026 CG GLU A 67 183.175 -2.329 10.411 1.00 0.00 C ATOM 1027 CD GLU A 67 183.962 -2.716 11.647 1.00 0.00 C ATOM 1028 OE1 GLU A 67 183.414 -3.454 12.493 1.00 0.00 O ATOM 1029 OE2 GLU A 67 185.127 -2.282 11.769 1.00 0.00 O ATOM 0 H GLU A 67 179.877 -2.456 9.578 1.00 0.00 H new ATOM 0 HA GLU A 67 181.521 -2.638 8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 67 183.006 -4.432 10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 67 183.694 -3.533 8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 67 183.718 -1.557 9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 67 182.222 -1.895 10.713 1.00 0.00 H new ATOM 1036 N GLU A 68 180.239 -5.481 8.364 1.00 0.00 N ATOM 1037 CA GLU A 68 179.909 -6.734 7.696 1.00 0.00 C ATOM 1038 C GLU A 68 178.592 -6.624 6.931 1.00 0.00 C ATOM 1039 O GLU A 68 178.234 -7.518 6.165 1.00 0.00 O ATOM 1040 CB GLU A 68 179.830 -7.862 8.723 1.00 0.00 C ATOM 1041 CG GLU A 68 181.187 -8.258 9.268 1.00 0.00 C ATOM 1042 CD GLU A 68 181.096 -9.031 10.568 1.00 0.00 C ATOM 1043 OE1 GLU A 68 180.453 -10.102 10.578 1.00 0.00 O ATOM 1044 OE2 GLU A 68 181.666 -8.566 11.577 1.00 0.00 O ATOM 0 H GLU A 68 179.583 -5.210 9.096 1.00 0.00 H new ATOM 0 HA GLU A 68 180.696 -6.955 6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 68 179.189 -7.551 9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 68 179.360 -8.732 8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 68 181.708 -8.863 8.527 1.00 0.00 H new ATOM 0 HG3 GLU A 68 181.786 -7.361 9.425 1.00 0.00 H new ATOM 1051 N TYR A 69 177.876 -5.522 7.139 1.00 0.00 N ATOM 1052 CA TYR A 69 176.603 -5.297 6.464 1.00 0.00 C ATOM 1053 C TYR A 69 176.540 -3.890 5.880 1.00 0.00 C ATOM 1054 O TYR A 69 176.828 -2.910 6.568 1.00 0.00 O ATOM 1055 CB TYR A 69 175.443 -5.506 7.435 1.00 0.00 C ATOM 1056 CG TYR A 69 175.271 -6.942 7.873 1.00 0.00 C ATOM 1057 CD1 TYR A 69 174.584 -7.852 7.080 1.00 0.00 C ATOM 1058 CD2 TYR A 69 175.797 -7.389 9.078 1.00 0.00 C ATOM 1059 CE1 TYR A 69 174.426 -9.166 7.477 1.00 0.00 C ATOM 1060 CE2 TYR A 69 175.643 -8.701 9.482 1.00 0.00 C ATOM 1061 CZ TYR A 69 174.958 -9.586 8.677 1.00 0.00 C ATOM 1062 OH TYR A 69 174.803 -10.894 9.075 1.00 0.00 O ATOM 0 H TYR A 69 178.157 -4.771 7.770 1.00 0.00 H new ATOM 0 HA TYR A 69 176.521 -6.016 5.649 1.00 0.00 H new ATOM 0 HB2 TYR A 69 175.601 -4.883 8.315 1.00 0.00 H new ATOM 0 HB3 TYR A 69 174.521 -5.166 6.964 1.00 0.00 H new ATOM 0 HD1 TYR A 69 174.167 -7.527 6.138 1.00 0.00 H new ATOM 0 HD2 TYR A 69 176.336 -6.699 9.710 1.00 0.00 H new ATOM 0 HE1 TYR A 69 173.888 -9.861 6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 69 176.057 -9.032 10.423 1.00 0.00 H new ATOM 0 HH TYR A 69 173.980 -11.258 8.688 1.00 0.00 H new ATOM 1072 N ALA A 70 176.154 -3.795 4.612 1.00 0.00 N ATOM 1073 CA ALA A 70 176.044 -2.504 3.946 1.00 0.00 C ATOM 1074 C ALA A 70 174.646 -1.931 4.136 1.00 0.00 C ATOM 1075 O ALA A 70 173.652 -2.593 3.841 1.00 0.00 O ATOM 1076 CB ALA A 70 176.366 -2.643 2.466 1.00 0.00 C ATOM 0 H ALA A 70 175.913 -4.595 4.027 1.00 0.00 H new ATOM 0 HA ALA A 70 176.764 -1.818 4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 70 176.280 -1.670 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 70 177.383 -3.018 2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 70 175.667 -3.341 2.005 1.00 0.00 H new ATOM 1082 N GLU A 71 174.573 -0.707 4.644 1.00 0.00 N ATOM 1083 CA GLU A 71 173.286 -0.067 4.885 1.00 0.00 C ATOM 1084 C GLU A 71 172.981 0.982 3.819 1.00 0.00 C ATOM 1085 O GLU A 71 173.654 2.008 3.729 1.00 0.00 O ATOM 1086 CB GLU A 71 173.264 0.562 6.290 1.00 0.00 C ATOM 1087 CG GLU A 71 172.115 1.539 6.542 1.00 0.00 C ATOM 1088 CD GLU A 71 172.338 2.384 7.781 1.00 0.00 C ATOM 1089 OE1 GLU A 71 173.156 1.982 8.635 1.00 0.00 O ATOM 1090 OE2 GLU A 71 171.694 3.448 7.898 1.00 0.00 O ATOM 0 H GLU A 71 175.383 -0.141 4.896 1.00 0.00 H new ATOM 0 HA GLU A 71 172.509 -0.830 4.828 1.00 0.00 H new ATOM 0 HB2 GLU A 71 173.210 -0.237 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 71 174.207 1.084 6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 71 171.999 2.191 5.676 1.00 0.00 H new ATOM 0 HG3 GLU A 71 171.184 0.982 6.648 1.00 0.00 H new ATOM 1097 N VAL A 72 171.950 0.718 3.023 1.00 0.00 N ATOM 1098 CA VAL A 72 171.536 1.637 1.972 1.00 0.00 C ATOM 1099 C VAL A 72 170.207 2.290 2.339 1.00 0.00 C ATOM 1100 O VAL A 72 169.345 1.659 2.950 1.00 0.00 O ATOM 1101 CB VAL A 72 171.417 0.919 0.606 1.00 0.00 C ATOM 1102 CG1 VAL A 72 170.356 1.565 -0.278 1.00 0.00 C ATOM 1103 CG2 VAL A 72 172.763 0.915 -0.098 1.00 0.00 C ATOM 0 H VAL A 72 171.385 -0.129 3.087 1.00 0.00 H new ATOM 0 HA VAL A 72 172.302 2.407 1.880 1.00 0.00 H new ATOM 0 HB VAL A 72 171.107 -0.109 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 72 170.301 1.034 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 72 169.388 1.517 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 72 170.619 2.607 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 72 172.670 0.408 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 72 173.092 1.941 -0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 72 173.495 0.393 0.519 1.00 0.00 H new ATOM 1113 N TRP A 73 170.052 3.556 1.973 1.00 0.00 N ATOM 1114 CA TRP A 73 168.830 4.290 2.279 1.00 0.00 C ATOM 1115 C TRP A 73 168.121 4.744 1.007 1.00 0.00 C ATOM 1116 O TRP A 73 168.755 5.220 0.065 1.00 0.00 O ATOM 1117 CB TRP A 73 169.152 5.501 3.158 1.00 0.00 C ATOM 1118 CG TRP A 73 169.189 5.179 4.621 1.00 0.00 C ATOM 1119 CD1 TRP A 73 169.404 3.955 5.185 1.00 0.00 C ATOM 1120 CD2 TRP A 73 169.005 6.094 5.708 1.00 0.00 C ATOM 1121 NE1 TRP A 73 169.360 4.051 6.554 1.00 0.00 N ATOM 1122 CE2 TRP A 73 169.117 5.354 6.899 1.00 0.00 C ATOM 1123 CE3 TRP A 73 168.755 7.466 5.790 1.00 0.00 C ATOM 1124 CZ2 TRP A 73 168.987 5.939 8.154 1.00 0.00 C ATOM 1125 CZ3 TRP A 73 168.627 8.047 7.037 1.00 0.00 C ATOM 1126 CH2 TRP A 73 168.743 7.284 8.205 1.00 0.00 C ATOM 0 H TRP A 73 170.754 4.095 1.466 1.00 0.00 H new ATOM 0 HA TRP A 73 168.161 3.619 2.817 1.00 0.00 H new ATOM 0 HB2 TRP A 73 170.116 5.912 2.859 1.00 0.00 H new ATOM 0 HB3 TRP A 73 168.407 6.277 2.983 1.00 0.00 H new ATOM 0 HD1 TRP A 73 169.583 3.043 4.634 1.00 0.00 H new ATOM 0 HE1 TRP A 73 169.487 3.278 7.207 1.00 0.00 H new ATOM 0 HE3 TRP A 73 168.663 8.062 4.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 169.076 5.352 9.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 168.434 9.107 7.112 1.00 0.00 H new ATOM 0 HH2 TRP A 73 168.638 7.767 9.165 1.00 0.00 H new ATOM 1137 N VAL A 74 166.799 4.602 0.995 1.00 0.00 N ATOM 1138 CA VAL A 74 165.989 5.003 -0.149 1.00 0.00 C ATOM 1139 C VAL A 74 164.930 6.014 0.277 1.00 0.00 C ATOM 1140 O VAL A 74 163.954 5.663 0.940 1.00 0.00 O ATOM 1141 CB VAL A 74 165.299 3.790 -0.804 1.00 0.00 C ATOM 1142 CG1 VAL A 74 164.504 4.219 -2.030 1.00 0.00 C ATOM 1143 CG2 VAL A 74 166.324 2.727 -1.169 1.00 0.00 C ATOM 0 H VAL A 74 166.264 4.210 1.770 1.00 0.00 H new ATOM 0 HA VAL A 74 166.659 5.458 -0.879 1.00 0.00 H new ATOM 0 HB VAL A 74 164.603 3.361 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 74 164.025 3.347 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 74 163.742 4.940 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 74 165.175 4.677 -2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 74 165.819 1.878 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 74 167.047 3.144 -1.870 1.00 0.00 H new ATOM 0 HG23 VAL A 74 166.841 2.396 -0.269 1.00 0.00 H new ATOM 1153 N GLY A 75 165.139 7.274 -0.090 1.00 0.00 N ATOM 1154 CA GLY A 75 164.201 8.317 0.286 1.00 0.00 C ATOM 1155 C GLY A 75 163.550 9.004 -0.898 1.00 0.00 C ATOM 1156 O GLY A 75 163.238 8.369 -1.906 1.00 0.00 O ATOM 0 H GLY A 75 165.938 7.591 -0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 75 163.424 7.885 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 75 164.722 9.063 0.887 1.00 0.00 H new ATOM 1160 N LEU A 76 163.347 10.311 -0.766 1.00 0.00 N ATOM 1161 CA LEU A 76 162.729 11.111 -1.821 1.00 0.00 C ATOM 1162 C LEU A 76 163.347 12.503 -1.851 1.00 0.00 C ATOM 1163 O LEU A 76 162.645 13.514 -1.858 1.00 0.00 O ATOM 1164 CB LEU A 76 161.209 11.205 -1.616 1.00 0.00 C ATOM 1165 CG LEU A 76 160.359 10.900 -2.850 1.00 0.00 C ATOM 1166 CD1 LEU A 76 160.852 9.639 -3.541 1.00 0.00 C ATOM 1167 CD2 LEU A 76 158.896 10.759 -2.458 1.00 0.00 C ATOM 0 H LEU A 76 163.603 10.842 0.066 1.00 0.00 H new ATOM 0 HA LEU A 76 162.913 10.622 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 76 160.924 10.517 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 76 160.968 12.210 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 76 160.453 11.730 -3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 76 160.234 9.439 -4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 76 161.888 9.775 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 76 160.788 8.797 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 76 158.301 10.542 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 76 158.788 9.945 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 76 158.549 11.689 -2.007 1.00 0.00 H new ATOM 1179 N VAL A 77 164.671 12.535 -1.858 1.00 0.00 N ATOM 1180 CA VAL A 77 165.411 13.790 -1.875 1.00 0.00 C ATOM 1181 C VAL A 77 165.290 14.486 -3.227 1.00 0.00 C ATOM 1182 O VAL A 77 164.923 13.866 -4.225 1.00 0.00 O ATOM 1183 CB VAL A 77 166.898 13.560 -1.545 1.00 0.00 C ATOM 1184 CG1 VAL A 77 167.553 12.678 -2.597 1.00 0.00 C ATOM 1185 CG2 VAL A 77 167.630 14.886 -1.414 1.00 0.00 C ATOM 0 H VAL A 77 165.259 11.701 -1.852 1.00 0.00 H new ATOM 0 HA VAL A 77 164.973 14.432 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 77 166.960 13.044 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 77 168.603 12.529 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 77 167.047 11.713 -2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 77 167.480 13.159 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 77 168.679 14.701 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 77 167.558 15.435 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 77 167.179 15.473 -0.614 1.00 0.00 H new ATOM 1195 N ASN A 78 165.594 15.781 -3.251 1.00 0.00 N ATOM 1196 CA ASN A 78 165.512 16.562 -4.477 1.00 0.00 C ATOM 1197 C ASN A 78 166.844 16.529 -5.247 1.00 0.00 C ATOM 1198 O ASN A 78 167.480 15.479 -5.336 1.00 0.00 O ATOM 1199 CB ASN A 78 165.057 17.995 -4.154 1.00 0.00 C ATOM 1200 CG ASN A 78 165.927 18.677 -3.117 1.00 0.00 C ATOM 1201 OD1 ASN A 78 166.846 19.421 -3.455 1.00 0.00 O ATOM 1202 ND2 ASN A 78 165.630 18.432 -1.843 1.00 0.00 N ATOM 0 H ASN A 78 165.899 16.310 -2.434 1.00 0.00 H new ATOM 0 HA ASN A 78 164.766 16.116 -5.135 1.00 0.00 H new ATOM 0 HB2 ASN A 78 165.063 18.586 -5.070 1.00 0.00 H new ATOM 0 HB3 ASN A 78 164.028 17.971 -3.796 1.00 0.00 H new ATOM 0 HD21 ASN A 78 166.174 18.869 -1.099 1.00 0.00 H new ATOM 0 HD22 ASN A 78 164.858 17.807 -1.610 1.00 0.00 H new ATOM 1209 N GLU A 79 167.248 17.657 -5.827 1.00 0.00 N ATOM 1210 CA GLU A 79 168.482 17.719 -6.613 1.00 0.00 C ATOM 1211 C GLU A 79 169.733 17.717 -5.737 1.00 0.00 C ATOM 1212 O GLU A 79 170.666 16.951 -5.979 1.00 0.00 O ATOM 1213 CB GLU A 79 168.477 18.965 -7.502 1.00 0.00 C ATOM 1214 CG GLU A 79 168.335 20.268 -6.731 1.00 0.00 C ATOM 1215 CD GLU A 79 167.641 21.349 -7.536 1.00 0.00 C ATOM 1216 OE1 GLU A 79 167.970 21.503 -8.731 1.00 0.00 O ATOM 1217 OE2 GLU A 79 166.768 22.041 -6.971 1.00 0.00 O ATOM 0 H GLU A 79 166.741 18.540 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 79 168.513 16.821 -7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 79 169.402 18.993 -8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 79 167.659 18.886 -8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 79 167.773 20.085 -5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 79 169.323 20.619 -6.434 1.00 0.00 H new ATOM 1224 N GLN A 80 169.757 18.583 -4.730 1.00 0.00 N ATOM 1225 CA GLN A 80 170.906 18.686 -3.832 1.00 0.00 C ATOM 1226 C GLN A 80 171.305 17.329 -3.251 1.00 0.00 C ATOM 1227 O GLN A 80 172.420 17.170 -2.755 1.00 0.00 O ATOM 1228 CB GLN A 80 170.597 19.659 -2.697 1.00 0.00 C ATOM 1229 CG GLN A 80 169.286 19.358 -1.998 1.00 0.00 C ATOM 1230 CD GLN A 80 168.514 20.612 -1.637 1.00 0.00 C ATOM 1231 OE1 GLN A 80 168.116 20.800 -0.487 1.00 0.00 O ATOM 1232 NE2 GLN A 80 168.298 21.478 -2.620 1.00 0.00 N ATOM 0 H GLN A 80 168.995 19.225 -4.513 1.00 0.00 H new ATOM 0 HA GLN A 80 171.746 19.056 -4.420 1.00 0.00 H new ATOM 0 HB2 GLN A 80 171.407 19.627 -1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 80 170.566 20.674 -3.094 1.00 0.00 H new ATOM 0 HG2 GLN A 80 168.671 18.731 -2.643 1.00 0.00 H new ATOM 0 HG3 GLN A 80 169.485 18.785 -1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 80 168.646 21.282 -3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 80 167.784 22.340 -2.437 1.00 0.00 H new ATOM 1241 N ASP A 81 170.389 16.360 -3.299 1.00 0.00 N ATOM 1242 CA ASP A 81 170.648 15.022 -2.767 1.00 0.00 C ATOM 1243 C ASP A 81 171.198 15.090 -1.344 1.00 0.00 C ATOM 1244 O ASP A 81 172.205 14.460 -1.021 1.00 0.00 O ATOM 1245 CB ASP A 81 171.606 14.245 -3.681 1.00 0.00 C ATOM 1246 CG ASP A 81 173.016 14.803 -3.683 1.00 0.00 C ATOM 1247 OD1 ASP A 81 173.302 15.688 -4.517 1.00 0.00 O ATOM 1248 OD2 ASP A 81 173.835 14.353 -2.855 1.00 0.00 O ATOM 0 H ASP A 81 169.459 16.478 -3.702 1.00 0.00 H new ATOM 0 HA ASP A 81 169.698 14.489 -2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 81 171.635 13.203 -3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 81 171.216 14.257 -4.699 1.00 0.00 H new ATOM 1253 N GLU A 82 170.523 15.862 -0.497 1.00 0.00 N ATOM 1254 CA GLU A 82 170.930 16.023 0.895 1.00 0.00 C ATOM 1255 C GLU A 82 170.181 15.057 1.812 1.00 0.00 C ATOM 1256 O GLU A 82 170.054 15.308 3.010 1.00 0.00 O ATOM 1257 CB GLU A 82 170.668 17.458 1.345 1.00 0.00 C ATOM 1258 CG GLU A 82 171.930 18.226 1.700 1.00 0.00 C ATOM 1259 CD GLU A 82 171.751 19.727 1.588 1.00 0.00 C ATOM 1260 OE1 GLU A 82 170.671 20.227 1.969 1.00 0.00 O ATOM 1261 OE2 GLU A 82 172.690 20.404 1.119 1.00 0.00 O ATOM 0 H GLU A 82 169.687 16.388 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 82 171.995 15.799 0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 82 170.142 17.988 0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 82 170.007 17.443 2.211 1.00 0.00 H new ATOM 0 HG2 GLU A 82 172.229 17.975 2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 82 172.740 17.910 1.042 1.00 0.00 H new ATOM 1268 N MET A 83 169.700 13.953 1.240 1.00 0.00 N ATOM 1269 CA MET A 83 168.963 12.925 1.986 1.00 0.00 C ATOM 1270 C MET A 83 168.199 13.506 3.177 1.00 0.00 C ATOM 1271 O MET A 83 168.758 13.677 4.260 1.00 0.00 O ATOM 1272 CB MET A 83 169.920 11.832 2.467 1.00 0.00 C ATOM 1273 CG MET A 83 169.390 10.423 2.251 1.00 0.00 C ATOM 1274 SD MET A 83 169.262 9.992 0.505 1.00 0.00 S ATOM 1275 CE MET A 83 167.764 9.010 0.508 1.00 0.00 C ATOM 0 H MET A 83 169.809 13.743 0.248 1.00 0.00 H new ATOM 0 HA MET A 83 168.229 12.498 1.302 1.00 0.00 H new ATOM 0 HB2 MET A 83 170.871 11.938 1.945 1.00 0.00 H new ATOM 0 HB3 MET A 83 170.121 11.977 3.528 1.00 0.00 H new ATOM 0 HG2 MET A 83 170.047 9.711 2.750 1.00 0.00 H new ATOM 0 HG3 MET A 83 168.409 10.332 2.717 1.00 0.00 H new ATOM 0 HE1 MET A 83 167.954 8.055 0.017 1.00 0.00 H new ATOM 0 HE2 MET A 83 167.447 8.833 1.536 1.00 0.00 H new ATOM 0 HE3 MET A 83 166.978 9.543 -0.027 1.00 0.00 H new ATOM 1285 N ASP A 84 166.920 13.799 2.970 1.00 0.00 N ATOM 1286 CA ASP A 84 166.085 14.354 4.031 1.00 0.00 C ATOM 1287 C ASP A 84 164.659 13.820 3.938 1.00 0.00 C ATOM 1288 O ASP A 84 163.695 14.586 3.969 1.00 0.00 O ATOM 1289 CB ASP A 84 166.080 15.885 3.965 1.00 0.00 C ATOM 1290 CG ASP A 84 165.817 16.519 5.317 1.00 0.00 C ATOM 1291 OD1 ASP A 84 164.734 16.274 5.887 1.00 0.00 O ATOM 1292 OD2 ASP A 84 166.695 17.263 5.804 1.00 0.00 O ATOM 0 H ASP A 84 166.439 13.662 2.081 1.00 0.00 H new ATOM 0 HA ASP A 84 166.506 14.045 4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 84 167.040 16.233 3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 84 165.318 16.213 3.258 1.00 0.00 H new ATOM 1297 N ASP A 85 164.536 12.498 3.829 1.00 0.00 N ATOM 1298 CA ASP A 85 163.234 11.838 3.735 1.00 0.00 C ATOM 1299 C ASP A 85 163.397 10.408 3.232 1.00 0.00 C ATOM 1300 O ASP A 85 163.229 10.141 2.043 1.00 0.00 O ATOM 1301 CB ASP A 85 162.292 12.607 2.800 1.00 0.00 C ATOM 1302 CG ASP A 85 161.267 13.427 3.559 1.00 0.00 C ATOM 1303 OD1 ASP A 85 160.653 12.885 4.502 1.00 0.00 O ATOM 1304 OD2 ASP A 85 161.078 14.611 3.210 1.00 0.00 O ATOM 0 H ASP A 85 165.330 11.858 3.803 1.00 0.00 H new ATOM 0 HA ASP A 85 162.797 11.821 4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 85 162.878 13.266 2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 85 161.778 11.902 2.147 1.00 0.00 H new ATOM 1309 N VAL A 86 163.727 9.491 4.138 1.00 0.00 N ATOM 1310 CA VAL A 86 163.913 8.093 3.769 1.00 0.00 C ATOM 1311 C VAL A 86 162.598 7.323 3.855 1.00 0.00 C ATOM 1312 O VAL A 86 161.852 7.449 4.826 1.00 0.00 O ATOM 1313 CB VAL A 86 164.964 7.396 4.666 1.00 0.00 C ATOM 1314 CG1 VAL A 86 164.606 7.556 6.135 1.00 0.00 C ATOM 1315 CG2 VAL A 86 165.105 5.924 4.297 1.00 0.00 C ATOM 0 H VAL A 86 163.870 9.691 5.128 1.00 0.00 H new ATOM 0 HA VAL A 86 164.272 8.088 2.740 1.00 0.00 H new ATOM 0 HB VAL A 86 165.927 7.877 4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 86 165.357 7.059 6.749 1.00 0.00 H new ATOM 0 HG12 VAL A 86 164.574 8.616 6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 86 163.630 7.108 6.323 1.00 0.00 H new ATOM 0 HG21 VAL A 86 165.849 5.457 4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 86 164.146 5.423 4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 86 165.421 5.838 3.257 1.00 0.00 H new ATOM 1325 N PHE A 87 162.336 6.514 2.836 1.00 0.00 N ATOM 1326 CA PHE A 87 161.128 5.701 2.787 1.00 0.00 C ATOM 1327 C PHE A 87 161.396 4.366 3.458 1.00 0.00 C ATOM 1328 O PHE A 87 160.626 3.900 4.297 1.00 0.00 O ATOM 1329 CB PHE A 87 160.709 5.463 1.336 1.00 0.00 C ATOM 1330 CG PHE A 87 159.798 6.516 0.780 1.00 0.00 C ATOM 1331 CD1 PHE A 87 160.168 7.851 0.785 1.00 0.00 C ATOM 1332 CD2 PHE A 87 158.571 6.166 0.245 1.00 0.00 C ATOM 1333 CE1 PHE A 87 159.327 8.816 0.265 1.00 0.00 C ATOM 1334 CE2 PHE A 87 157.729 7.125 -0.276 1.00 0.00 C ATOM 1335 CZ PHE A 87 158.106 8.453 -0.267 1.00 0.00 C ATOM 0 H PHE A 87 162.948 6.403 2.028 1.00 0.00 H new ATOM 0 HA PHE A 87 160.325 6.224 3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 87 161.603 5.407 0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 87 160.212 4.495 1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 87 161.123 8.140 1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 87 158.269 5.129 0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 87 159.625 9.854 0.275 1.00 0.00 H new ATOM 0 HE2 PHE A 87 156.774 6.837 -0.691 1.00 0.00 H new ATOM 0 HZ PHE A 87 157.448 9.206 -0.675 1.00 0.00 H new ATOM 1345 N ALA A 88 162.513 3.767 3.074 1.00 0.00 N ATOM 1346 CA ALA A 88 162.935 2.490 3.616 1.00 0.00 C ATOM 1347 C ALA A 88 164.453 2.433 3.689 1.00 0.00 C ATOM 1348 O ALA A 88 165.140 3.296 3.144 1.00 0.00 O ATOM 1349 CB ALA A 88 162.398 1.350 2.764 1.00 0.00 C ATOM 0 H ALA A 88 163.150 4.154 2.378 1.00 0.00 H new ATOM 0 HA ALA A 88 162.532 2.383 4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 88 162.723 0.398 3.183 1.00 0.00 H new ATOM 0 HB2 ALA A 88 161.309 1.388 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 88 162.777 1.446 1.747 1.00 0.00 H new ATOM 1355 N LYS A 89 164.975 1.414 4.352 1.00 0.00 N ATOM 1356 CA LYS A 89 166.415 1.244 4.481 1.00 0.00 C ATOM 1357 C LYS A 89 166.764 -0.213 4.199 1.00 0.00 C ATOM 1358 O LYS A 89 165.958 -1.100 4.470 1.00 0.00 O ATOM 1359 CB LYS A 89 166.878 1.653 5.882 1.00 0.00 C ATOM 1360 CG LYS A 89 165.930 2.620 6.579 1.00 0.00 C ATOM 1361 CD LYS A 89 166.665 3.528 7.545 1.00 0.00 C ATOM 1362 CE LYS A 89 165.868 3.743 8.822 1.00 0.00 C ATOM 1363 NZ LYS A 89 164.550 4.382 8.555 1.00 0.00 N ATOM 0 H LYS A 89 164.422 0.690 4.811 1.00 0.00 H new ATOM 0 HA LYS A 89 166.928 1.884 3.763 1.00 0.00 H new ATOM 0 HB2 LYS A 89 166.987 0.758 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 89 167.864 2.112 5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 89 165.413 3.224 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 89 165.167 2.057 7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 89 167.635 3.094 7.789 1.00 0.00 H new ATOM 0 HD3 LYS A 89 166.857 4.489 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 89 165.713 2.785 9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 89 166.442 4.367 9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 164.082 4.603 9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 164.693 5.259 8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 163.953 3.730 8.007 1.00 0.00 H new ATOM 1377 N PHE A 90 167.935 -0.468 3.626 1.00 0.00 N ATOM 1378 CA PHE A 90 168.314 -1.840 3.292 1.00 0.00 C ATOM 1379 C PHE A 90 169.667 -2.242 3.874 1.00 0.00 C ATOM 1380 O PHE A 90 170.599 -1.441 3.941 1.00 0.00 O ATOM 1381 CB PHE A 90 168.329 -2.016 1.773 1.00 0.00 C ATOM 1382 CG PHE A 90 167.032 -1.633 1.118 1.00 0.00 C ATOM 1383 CD1 PHE A 90 166.599 -0.316 1.127 1.00 0.00 C ATOM 1384 CD2 PHE A 90 166.243 -2.589 0.499 1.00 0.00 C ATOM 1385 CE1 PHE A 90 165.405 0.040 0.531 1.00 0.00 C ATOM 1386 CE2 PHE A 90 165.047 -2.239 -0.098 1.00 0.00 C ATOM 1387 CZ PHE A 90 164.627 -0.923 -0.082 1.00 0.00 C ATOM 0 H PHE A 90 168.628 0.241 3.386 1.00 0.00 H new ATOM 0 HA PHE A 90 167.568 -2.496 3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 90 169.133 -1.412 1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 90 168.554 -3.056 1.537 1.00 0.00 H new ATOM 0 HD1 PHE A 90 167.203 0.441 1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 90 166.566 -3.619 0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 90 165.080 1.070 0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 90 164.441 -2.994 -0.577 1.00 0.00 H new ATOM 0 HZ PHE A 90 163.692 -0.648 -0.548 1.00 0.00 H new ATOM 1397 N LEU A 91 169.756 -3.510 4.273 1.00 0.00 N ATOM 1398 CA LEU A 91 170.981 -4.073 4.834 1.00 0.00 C ATOM 1399 C LEU A 91 171.278 -5.419 4.176 1.00 0.00 C ATOM 1400 O LEU A 91 170.413 -6.291 4.122 1.00 0.00 O ATOM 1401 CB LEU A 91 170.852 -4.254 6.347 1.00 0.00 C ATOM 1402 CG LEU A 91 170.276 -3.056 7.108 1.00 0.00 C ATOM 1403 CD1 LEU A 91 170.022 -3.419 8.564 1.00 0.00 C ATOM 1404 CD2 LEU A 91 171.214 -1.861 7.015 1.00 0.00 C ATOM 0 H LEU A 91 168.983 -4.173 4.216 1.00 0.00 H new ATOM 0 HA LEU A 91 171.801 -3.382 4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 91 170.221 -5.122 6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 91 171.838 -4.481 6.754 1.00 0.00 H new ATOM 0 HG LEU A 91 169.325 -2.785 6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 91 169.613 -2.555 9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 91 169.312 -4.244 8.615 1.00 0.00 H new ATOM 0 HD13 LEU A 91 170.959 -3.718 9.033 1.00 0.00 H new ATOM 0 HD21 LEU A 91 170.787 -1.020 7.562 1.00 0.00 H new ATOM 0 HD22 LEU A 91 172.180 -2.122 7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 91 171.347 -1.584 5.969 1.00 0.00 H new ATOM 1416 N ILE A 92 172.493 -5.579 3.657 1.00 0.00 N ATOM 1417 CA ILE A 92 172.866 -6.823 2.984 1.00 0.00 C ATOM 1418 C ILE A 92 174.253 -7.317 3.393 1.00 0.00 C ATOM 1419 O ILE A 92 175.148 -6.529 3.699 1.00 0.00 O ATOM 1420 CB ILE A 92 172.816 -6.671 1.444 1.00 0.00 C ATOM 1421 CG1 ILE A 92 172.989 -5.202 1.037 1.00 0.00 C ATOM 1422 CG2 ILE A 92 171.505 -7.226 0.905 1.00 0.00 C ATOM 1423 CD1 ILE A 92 172.726 -4.943 -0.431 1.00 0.00 C ATOM 0 H ILE A 92 173.229 -4.873 3.688 1.00 0.00 H new ATOM 0 HA ILE A 92 172.131 -7.564 3.300 1.00 0.00 H new ATOM 0 HB ILE A 92 173.640 -7.240 1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 92 172.314 -4.587 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 92 174.004 -4.885 1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 92 171.481 -7.114 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 92 171.424 -8.282 1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 92 170.670 -6.680 1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 92 172.868 -3.884 -0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 92 173.419 -5.530 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 92 171.702 -5.228 -0.673 1.00 0.00 H new ATOM 1435 N SER A 93 174.407 -8.640 3.395 1.00 0.00 N ATOM 1436 CA SER A 93 175.667 -9.282 3.765 1.00 0.00 C ATOM 1437 C SER A 93 176.765 -9.007 2.738 1.00 0.00 C ATOM 1438 O SER A 93 176.568 -9.194 1.537 1.00 0.00 O ATOM 1439 CB SER A 93 175.464 -10.793 3.911 1.00 0.00 C ATOM 1440 OG SER A 93 175.708 -11.466 2.687 1.00 0.00 O ATOM 0 H SER A 93 173.666 -9.294 3.142 1.00 0.00 H new ATOM 0 HA SER A 93 175.984 -8.860 4.718 1.00 0.00 H new ATOM 0 HB2 SER A 93 176.132 -11.179 4.680 1.00 0.00 H new ATOM 0 HB3 SER A 93 174.446 -10.995 4.243 1.00 0.00 H new ATOM 0 HG SER A 93 175.790 -10.810 1.964 1.00 0.00 H new ATOM 1446 N HIS A 94 177.923 -8.564 3.222 1.00 0.00 N ATOM 1447 CA HIS A 94 179.060 -8.265 2.351 1.00 0.00 C ATOM 1448 C HIS A 94 179.728 -9.551 1.866 1.00 0.00 C ATOM 1449 O HIS A 94 180.200 -9.627 0.731 1.00 0.00 O ATOM 1450 CB HIS A 94 180.091 -7.398 3.086 1.00 0.00 C ATOM 1451 CG HIS A 94 179.715 -5.948 3.178 1.00 0.00 C ATOM 1452 ND1 HIS A 94 180.264 -4.973 2.371 1.00 0.00 N ATOM 1453 CD2 HIS A 94 178.842 -5.309 3.990 1.00 0.00 C ATOM 1454 CE1 HIS A 94 179.743 -3.800 2.682 1.00 0.00 C ATOM 1455 NE2 HIS A 94 178.877 -3.977 3.661 1.00 0.00 N ATOM 0 H HIS A 94 178.100 -8.404 4.214 1.00 0.00 H new ATOM 0 HA HIS A 94 178.682 -7.717 1.488 1.00 0.00 H new ATOM 0 HB2 HIS A 94 180.229 -7.791 4.093 1.00 0.00 H new ATOM 0 HB3 HIS A 94 181.051 -7.482 2.576 1.00 0.00 H new ATOM 0 HD2 HIS A 94 178.230 -5.763 4.756 1.00 0.00 H new ATOM 0 HE1 HIS A 94 179.985 -2.857 2.215 1.00 0.00 H new ATOM 0 HE2 HIS A 94 178.323 -3.243 4.102 1.00 0.00 H new ATOM 1464 N ARG A 95 179.771 -10.555 2.737 1.00 0.00 N ATOM 1465 CA ARG A 95 180.389 -11.839 2.408 1.00 0.00 C ATOM 1466 C ARG A 95 179.799 -12.435 1.135 1.00 0.00 C ATOM 1467 O ARG A 95 178.943 -11.831 0.489 1.00 0.00 O ATOM 1468 CB ARG A 95 180.220 -12.820 3.569 1.00 0.00 C ATOM 1469 CG ARG A 95 178.777 -13.003 4.008 1.00 0.00 C ATOM 1470 CD ARG A 95 178.684 -13.823 5.285 1.00 0.00 C ATOM 1471 NE ARG A 95 177.363 -13.729 5.902 1.00 0.00 N ATOM 1472 CZ ARG A 95 176.909 -12.641 6.520 1.00 0.00 C ATOM 1473 NH1 ARG A 95 177.662 -11.551 6.599 1.00 0.00 N ATOM 1474 NH2 ARG A 95 175.697 -12.643 7.058 1.00 0.00 N ATOM 0 H ARG A 95 179.384 -10.505 3.680 1.00 0.00 H new ATOM 0 HA ARG A 95 181.450 -11.661 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 95 180.627 -13.788 3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 95 180.807 -12.470 4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 95 178.317 -12.028 4.166 1.00 0.00 H new ATOM 0 HG3 ARG A 95 178.214 -13.496 3.216 1.00 0.00 H new ATOM 0 HD2 ARG A 95 178.907 -14.867 5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 95 179.439 -13.480 5.992 1.00 0.00 H new ATOM 0 HE ARG A 95 176.753 -14.545 5.857 1.00 0.00 H new ATOM 0 HH11 ARG A 95 178.594 -11.544 6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 95 177.309 -10.720 7.074 1.00 0.00 H new ATOM 0 HH21 ARG A 95 175.114 -13.478 6.998 1.00 0.00 H new ATOM 0 HH22 ARG A 95 175.348 -11.810 7.532 1.00 0.00 H new ATOM 1488 N GLU A 96 180.278 -13.622 0.777 1.00 0.00 N ATOM 1489 CA GLU A 96 179.816 -14.306 -0.423 1.00 0.00 C ATOM 1490 C GLU A 96 178.866 -15.453 -0.076 1.00 0.00 C ATOM 1491 O GLU A 96 177.776 -15.555 -0.638 1.00 0.00 O ATOM 1492 CB GLU A 96 181.018 -14.816 -1.223 1.00 0.00 C ATOM 1493 CG GLU A 96 181.631 -16.098 -0.679 1.00 0.00 C ATOM 1494 CD GLU A 96 182.863 -16.529 -1.450 1.00 0.00 C ATOM 1495 OE1 GLU A 96 182.706 -17.109 -2.545 1.00 0.00 O ATOM 1496 OE2 GLU A 96 183.986 -16.286 -0.959 1.00 0.00 O ATOM 0 H GLU A 96 180.988 -14.131 1.304 1.00 0.00 H new ATOM 0 HA GLU A 96 179.259 -13.596 -1.035 1.00 0.00 H new ATOM 0 HB2 GLU A 96 180.709 -14.984 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 96 181.783 -14.040 -1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 96 181.895 -15.954 0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 96 180.888 -16.895 -0.714 1.00 0.00 H new ATOM 1503 N GLU A 97 179.278 -16.305 0.859 1.00 0.00 N ATOM 1504 CA GLU A 97 178.449 -17.428 1.281 1.00 0.00 C ATOM 1505 C GLU A 97 177.296 -16.927 2.136 1.00 0.00 C ATOM 1506 O GLU A 97 177.495 -16.116 3.040 1.00 0.00 O ATOM 1507 CB GLU A 97 179.284 -18.450 2.059 1.00 0.00 C ATOM 1508 CG GLU A 97 179.312 -19.827 1.418 1.00 0.00 C ATOM 1509 CD GLU A 97 179.962 -20.870 2.306 1.00 0.00 C ATOM 1510 OE1 GLU A 97 181.201 -21.015 2.243 1.00 0.00 O ATOM 1511 OE2 GLU A 97 179.232 -21.542 3.065 1.00 0.00 O ATOM 0 H GLU A 97 180.177 -16.239 1.336 1.00 0.00 H new ATOM 0 HA GLU A 97 178.046 -17.919 0.395 1.00 0.00 H new ATOM 0 HB2 GLU A 97 180.305 -18.079 2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 97 178.886 -18.537 3.070 1.00 0.00 H new ATOM 0 HG2 GLU A 97 178.293 -20.137 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 97 179.852 -19.773 0.473 1.00 0.00 H new ATOM 1518 N ASP A 98 176.088 -17.400 1.843 1.00 0.00 N ATOM 1519 CA ASP A 98 174.910 -16.974 2.586 1.00 0.00 C ATOM 1520 C ASP A 98 174.753 -15.461 2.485 1.00 0.00 C ATOM 1521 O ASP A 98 175.573 -14.708 3.009 1.00 0.00 O ATOM 1522 CB ASP A 98 175.020 -17.397 4.053 1.00 0.00 C ATOM 1523 CG ASP A 98 174.220 -18.649 4.355 1.00 0.00 C ATOM 1524 OD1 ASP A 98 173.018 -18.682 4.016 1.00 0.00 O ATOM 1525 OD2 ASP A 98 174.795 -19.597 4.931 1.00 0.00 O ATOM 0 H ASP A 98 175.901 -18.074 1.101 1.00 0.00 H new ATOM 0 HA ASP A 98 174.031 -17.453 2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 98 176.067 -17.570 4.301 1.00 0.00 H new ATOM 0 HB3 ASP A 98 174.671 -16.584 4.690 1.00 0.00 H new ATOM 1530 N ARG A 99 173.700 -15.013 1.814 1.00 0.00 N ATOM 1531 CA ARG A 99 173.455 -13.586 1.656 1.00 0.00 C ATOM 1532 C ARG A 99 172.077 -13.224 2.198 1.00 0.00 C ATOM 1533 O ARG A 99 171.053 -13.611 1.634 1.00 0.00 O ATOM 1534 CB ARG A 99 173.567 -13.196 0.173 1.00 0.00 C ATOM 1535 CG ARG A 99 173.924 -11.733 -0.084 1.00 0.00 C ATOM 1536 CD ARG A 99 173.120 -10.789 0.797 1.00 0.00 C ATOM 1537 NE ARG A 99 171.701 -10.802 0.450 1.00 0.00 N ATOM 1538 CZ ARG A 99 171.211 -10.287 -0.676 1.00 0.00 C ATOM 1539 NH1 ARG A 99 172.015 -9.693 -1.548 1.00 0.00 N ATOM 1540 NH2 ARG A 99 169.911 -10.364 -0.928 1.00 0.00 N ATOM 0 H ARG A 99 173.005 -15.614 1.372 1.00 0.00 H new ATOM 0 HA ARG A 99 174.205 -13.033 2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 99 174.322 -13.827 -0.297 1.00 0.00 H new ATOM 0 HB3 ARG A 99 172.618 -13.415 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 99 174.988 -11.582 0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 99 173.743 -11.494 -1.132 1.00 0.00 H new ATOM 0 HD2 ARG A 99 173.242 -11.074 1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 99 173.510 -9.776 0.696 1.00 0.00 H new ATOM 0 HE ARG A 99 171.049 -11.230 1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 99 173.015 -9.629 -1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 99 171.633 -9.301 -2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 99 169.288 -10.817 -0.260 1.00 0.00 H new ATOM 0 HH22 ARG A 99 169.534 -9.970 -1.790 1.00 0.00 H new ATOM 1554 N GLU A 100 172.062 -12.483 3.299 1.00 0.00 N ATOM 1555 CA GLU A 100 170.813 -12.071 3.927 1.00 0.00 C ATOM 1556 C GLU A 100 170.547 -10.589 3.695 1.00 0.00 C ATOM 1557 O GLU A 100 171.427 -9.750 3.894 1.00 0.00 O ATOM 1558 CB GLU A 100 170.853 -12.365 5.427 1.00 0.00 C ATOM 1559 CG GLU A 100 172.090 -11.818 6.121 1.00 0.00 C ATOM 1560 CD GLU A 100 172.077 -12.065 7.617 1.00 0.00 C ATOM 1561 OE1 GLU A 100 171.035 -11.803 8.253 1.00 0.00 O ATOM 1562 OE2 GLU A 100 173.110 -12.521 8.152 1.00 0.00 O ATOM 0 H GLU A 100 172.902 -12.155 3.776 1.00 0.00 H new ATOM 0 HA GLU A 100 170.003 -12.640 3.472 1.00 0.00 H new ATOM 0 HB2 GLU A 100 169.966 -11.940 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 100 170.808 -13.443 5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 100 172.978 -12.278 5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 100 172.163 -10.747 5.934 1.00 0.00 H new ATOM 1569 N PHE A 101 169.325 -10.273 3.281 1.00 0.00 N ATOM 1570 CA PHE A 101 168.934 -8.892 3.030 1.00 0.00 C ATOM 1571 C PHE A 101 167.715 -8.526 3.870 1.00 0.00 C ATOM 1572 O PHE A 101 166.796 -9.330 4.027 1.00 0.00 O ATOM 1573 CB PHE A 101 168.636 -8.679 1.542 1.00 0.00 C ATOM 1574 CG PHE A 101 167.341 -9.293 1.086 1.00 0.00 C ATOM 1575 CD1 PHE A 101 167.195 -10.669 1.016 1.00 0.00 C ATOM 1576 CD2 PHE A 101 166.269 -8.491 0.729 1.00 0.00 C ATOM 1577 CE1 PHE A 101 166.005 -11.234 0.597 1.00 0.00 C ATOM 1578 CE2 PHE A 101 165.076 -9.049 0.310 1.00 0.00 C ATOM 1579 CZ PHE A 101 164.944 -10.423 0.244 1.00 0.00 C ATOM 0 H PHE A 101 168.587 -10.957 3.112 1.00 0.00 H new ATOM 0 HA PHE A 101 169.762 -8.243 3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 101 168.612 -7.609 1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 101 169.453 -9.098 0.954 1.00 0.00 H new ATOM 0 HD1 PHE A 101 168.021 -11.308 1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 101 166.367 -7.417 0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 101 165.905 -12.308 0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 101 164.248 -8.412 0.035 1.00 0.00 H new ATOM 0 HZ PHE A 101 164.013 -10.862 -0.083 1.00 0.00 H new ATOM 1589 N HIS A 102 167.708 -7.312 4.405 1.00 0.00 N ATOM 1590 CA HIS A 102 166.593 -6.853 5.225 1.00 0.00 C ATOM 1591 C HIS A 102 166.247 -5.404 4.901 1.00 0.00 C ATOM 1592 O HIS A 102 167.098 -4.639 4.447 1.00 0.00 O ATOM 1593 CB HIS A 102 166.897 -7.004 6.726 1.00 0.00 C ATOM 1594 CG HIS A 102 168.349 -7.190 7.070 1.00 0.00 C ATOM 1595 ND1 HIS A 102 168.971 -6.492 8.082 1.00 0.00 N ATOM 1596 CD2 HIS A 102 169.292 -8.019 6.557 1.00 0.00 C ATOM 1597 CE1 HIS A 102 170.230 -6.883 8.178 1.00 0.00 C ATOM 1598 NE2 HIS A 102 170.449 -7.808 7.265 1.00 0.00 N ATOM 0 H HIS A 102 168.457 -6.630 4.287 1.00 0.00 H new ATOM 0 HA HIS A 102 165.734 -7.481 4.991 1.00 0.00 H new ATOM 0 HB2 HIS A 102 166.527 -6.120 7.246 1.00 0.00 H new ATOM 0 HB3 HIS A 102 166.337 -7.857 7.110 1.00 0.00 H new ATOM 0 HD2 HIS A 102 169.158 -8.716 5.743 1.00 0.00 H new ATOM 0 HE1 HIS A 102 170.956 -6.508 8.884 1.00 0.00 H new ATOM 0 HE2 HIS A 102 171.335 -8.289 7.110 1.00 0.00 H new ATOM 1607 N VAL A 103 164.991 -5.035 5.131 1.00 0.00 N ATOM 1608 CA VAL A 103 164.542 -3.677 4.853 1.00 0.00 C ATOM 1609 C VAL A 103 163.415 -3.238 5.779 1.00 0.00 C ATOM 1610 O VAL A 103 162.516 -4.016 6.099 1.00 0.00 O ATOM 1611 CB VAL A 103 164.071 -3.530 3.393 1.00 0.00 C ATOM 1612 CG1 VAL A 103 162.820 -4.359 3.144 1.00 0.00 C ATOM 1613 CG2 VAL A 103 163.826 -2.068 3.053 1.00 0.00 C ATOM 0 H VAL A 103 164.271 -5.653 5.506 1.00 0.00 H new ATOM 0 HA VAL A 103 165.405 -3.035 5.027 1.00 0.00 H new ATOM 0 HB VAL A 103 164.860 -3.904 2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 103 162.505 -4.240 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 103 163.035 -5.410 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 103 162.022 -4.022 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 103 163.494 -1.986 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 103 163.058 -1.665 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 103 164.750 -1.504 3.184 1.00 0.00 H new ATOM 1623 N ILE A 104 163.466 -1.976 6.189 1.00 0.00 N ATOM 1624 CA ILE A 104 162.445 -1.411 7.062 1.00 0.00 C ATOM 1625 C ILE A 104 161.609 -0.377 6.318 1.00 0.00 C ATOM 1626 O ILE A 104 162.144 0.463 5.593 1.00 0.00 O ATOM 1627 CB ILE A 104 163.049 -0.749 8.317 1.00 0.00 C ATOM 1628 CG1 ILE A 104 164.399 -0.092 7.992 1.00 0.00 C ATOM 1629 CG2 ILE A 104 163.180 -1.770 9.437 1.00 0.00 C ATOM 1630 CD1 ILE A 104 165.581 -1.039 8.032 1.00 0.00 C ATOM 0 H ILE A 104 164.206 -1.323 5.930 1.00 0.00 H new ATOM 0 HA ILE A 104 161.817 -2.244 7.378 1.00 0.00 H new ATOM 0 HB ILE A 104 162.377 0.040 8.656 1.00 0.00 H new ATOM 0 HG12 ILE A 104 164.342 0.357 7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 104 164.574 0.719 8.699 1.00 0.00 H new ATOM 0 HG21 ILE A 104 163.608 -1.291 10.318 1.00 0.00 H new ATOM 0 HG22 ILE A 104 162.196 -2.169 9.683 1.00 0.00 H new ATOM 0 HG23 ILE A 104 163.831 -2.583 9.114 1.00 0.00 H new ATOM 0 HD11 ILE A 104 166.493 -0.493 7.791 1.00 0.00 H new ATOM 0 HD12 ILE A 104 165.669 -1.469 9.030 1.00 0.00 H new ATOM 0 HD13 ILE A 104 165.433 -1.837 7.305 1.00 0.00 H new ATOM 1642 N TRP A 105 160.296 -0.444 6.504 1.00 0.00 N ATOM 1643 CA TRP A 105 159.382 0.489 5.851 1.00 0.00 C ATOM 1644 C TRP A 105 158.777 1.456 6.863 1.00 0.00 C ATOM 1645 O TRP A 105 158.577 1.108 8.027 1.00 0.00 O ATOM 1646 CB TRP A 105 158.266 -0.268 5.128 1.00 0.00 C ATOM 1647 CG TRP A 105 158.769 -1.241 4.105 1.00 0.00 C ATOM 1648 CD1 TRP A 105 158.898 -2.592 4.258 1.00 0.00 C ATOM 1649 CD2 TRP A 105 159.213 -0.944 2.773 1.00 0.00 C ATOM 1650 NE1 TRP A 105 159.390 -3.153 3.106 1.00 0.00 N ATOM 1651 CE2 TRP A 105 159.592 -2.164 2.180 1.00 0.00 C ATOM 1652 CE3 TRP A 105 159.325 0.232 2.022 1.00 0.00 C ATOM 1653 CZ2 TRP A 105 160.073 -2.241 0.876 1.00 0.00 C ATOM 1654 CZ3 TRP A 105 159.804 0.153 0.729 1.00 0.00 C ATOM 1655 CH2 TRP A 105 160.172 -1.076 0.166 1.00 0.00 C ATOM 0 H TRP A 105 159.839 -1.134 7.101 1.00 0.00 H new ATOM 0 HA TRP A 105 159.954 1.061 5.120 1.00 0.00 H new ATOM 0 HB2 TRP A 105 157.666 -0.804 5.863 1.00 0.00 H new ATOM 0 HB3 TRP A 105 157.607 0.451 4.641 1.00 0.00 H new ATOM 0 HD1 TRP A 105 158.649 -3.139 5.155 1.00 0.00 H new ATOM 0 HE1 TRP A 105 159.575 -4.146 2.963 1.00 0.00 H new ATOM 0 HE3 TRP A 105 159.042 1.184 2.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 160.358 -3.187 0.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 159.897 1.055 0.142 1.00 0.00 H new ATOM 0 HH2 TRP A 105 160.541 -1.104 -0.849 1.00 0.00 H new ATOM 1666 N LYS A 106 158.487 2.672 6.411 1.00 0.00 N ATOM 1667 CA LYS A 106 157.902 3.690 7.276 1.00 0.00 C ATOM 1668 C LYS A 106 156.524 3.257 7.769 1.00 0.00 C ATOM 1669 O LYS A 106 155.841 2.468 7.117 1.00 0.00 O ATOM 1670 CB LYS A 106 157.799 5.023 6.530 1.00 0.00 C ATOM 1671 CG LYS A 106 158.562 6.155 7.199 1.00 0.00 C ATOM 1672 CD LYS A 106 158.313 7.483 6.502 1.00 0.00 C ATOM 1673 CE LYS A 106 157.285 8.322 7.244 1.00 0.00 C ATOM 1674 NZ LYS A 106 156.144 8.706 6.368 1.00 0.00 N ATOM 0 H LYS A 106 158.648 2.976 5.451 1.00 0.00 H new ATOM 0 HA LYS A 106 158.552 3.817 8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 106 158.175 4.892 5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 106 156.749 5.303 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 106 158.262 6.230 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 106 159.629 5.932 7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 106 159.249 8.036 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 106 157.968 7.301 5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 106 156.912 7.763 8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 106 157.763 9.221 7.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 155.333 8.985 6.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 156.424 9.504 5.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 155.877 7.897 5.772 1.00 0.00 H new ATOM 1688 N LYS A 107 156.124 3.779 8.924 1.00 0.00 N ATOM 1689 CA LYS A 107 154.828 3.446 9.503 1.00 0.00 C ATOM 1690 C LYS A 107 154.279 4.614 10.316 1.00 0.00 C ATOM 1691 O LYS A 107 155.074 5.261 11.032 1.00 0.00 O ATOM 1692 CB LYS A 107 154.945 2.204 10.389 1.00 0.00 C ATOM 1693 CG LYS A 107 155.890 2.383 11.565 1.00 0.00 C ATOM 1694 CD LYS A 107 156.619 1.090 11.895 1.00 0.00 C ATOM 1695 CE LYS A 107 157.982 1.361 12.512 1.00 0.00 C ATOM 1696 NZ LYS A 107 158.791 0.118 12.638 1.00 0.00 N ATOM 1697 OXT LYS A 107 153.061 4.874 10.231 1.00 0.00 O ATOM 0 H LYS A 107 156.678 4.433 9.477 1.00 0.00 H new ATOM 0 HA LYS A 107 154.137 3.238 8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 107 153.956 1.942 10.765 1.00 0.00 H new ATOM 0 HB3 LYS A 107 155.288 1.366 9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 107 156.616 3.163 11.335 1.00 0.00 H new ATOM 0 HG3 LYS A 107 155.328 2.718 12.437 1.00 0.00 H new ATOM 0 HD2 LYS A 107 156.018 0.498 12.585 1.00 0.00 H new ATOM 0 HD3 LYS A 107 156.740 0.498 10.988 1.00 0.00 H new ATOM 0 HE2 LYS A 107 158.521 2.084 11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 107 157.852 1.811 13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 159.713 0.345 13.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 158.289 -0.563 13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 158.937 -0.298 11.696 1.00 0.00 H new TER 1711 LYS A 107