USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 SER OG : rot 180:sc= 0.00296 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00832) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.482 USER MOD Single : A -3 GLY N :NH3+ -130:sc= 0.0646 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.379) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc=-0.00687 (180deg=-0.252) USER MOD Single : A 28 LYS NZ :NH3+ -154:sc= -0.124 (180deg=-0.621) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00207 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0.021) USER MOD Single : A 42 MET CE :methyl -136:sc= -5.75! (180deg=-8.51!) USER MOD Single : A 44 GLN : amide:sc= -2.06! C(o=-2.1!,f=-3.4!) USER MOD Single : A 47 ASN :FLIP amide:sc= 0.638 F(o=-3.6!,f=0.64) USER MOD Single : A 50 ASN : amide:sc= -0.822 X(o=-0.82,f=-1.2!) USER MOD Single : A 51 THR OG1 : rot -46:sc= 0.942 USER MOD Single : A 54 GLN : amide:sc= -3.09 X(o=-3.1,f=-3.2!) USER MOD Single : A 60 TYR OH : rot 30:sc=-0.00482 USER MOD Single : A 61 HIS : no HD1:sc= -0.131 K(o=-0.13,f=-1.1) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.011) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= -0.0445 (180deg=-0.0445) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc=-0.00843 X(o=-0.0084,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.646 X(o=-0.65,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 6.272 -5.354 -2.087 1.00 0.00 N ATOM 2 CA GLY A -3 5.749 -4.361 -3.007 1.00 0.00 C ATOM 3 C GLY A -3 6.823 -3.419 -3.515 1.00 0.00 C ATOM 4 O GLY A -3 8.011 -3.594 -3.243 1.00 0.00 O ATOM 0 H1 GLY A -3 5.954 -6.300 -2.380 1.00 0.00 H new ATOM 0 H2 GLY A -3 7.311 -5.321 -2.094 1.00 0.00 H new ATOM 0 H3 GLY A -3 5.926 -5.154 -1.127 1.00 0.00 H new ATOM 0 HA2 GLY A -3 5.282 -4.865 -3.853 1.00 0.00 H new ATOM 0 HA3 GLY A -3 4.970 -3.784 -2.509 1.00 0.00 H new ATOM 8 N PRO A -2 6.406 -2.394 -4.273 1.00 0.00 N ATOM 9 CA PRO A -2 7.326 -1.402 -4.838 1.00 0.00 C ATOM 10 C PRO A -2 7.927 -0.495 -3.769 1.00 0.00 C ATOM 11 O PRO A -2 7.220 0.003 -2.894 1.00 0.00 O ATOM 12 CB PRO A -2 6.438 -0.594 -5.787 1.00 0.00 C ATOM 13 CG PRO A -2 5.061 -0.748 -5.240 1.00 0.00 C ATOM 14 CD PRO A -2 5.005 -2.125 -4.638 1.00 0.00 C ATOM 0 HA PRO A -2 8.180 -1.870 -5.327 1.00 0.00 H new ATOM 0 HB2 PRO A -2 6.738 0.453 -5.815 1.00 0.00 H new ATOM 0 HB3 PRO A -2 6.503 -0.971 -6.808 1.00 0.00 H new ATOM 0 HG2 PRO A -2 4.852 0.015 -4.490 1.00 0.00 H new ATOM 0 HG3 PRO A -2 4.314 -0.635 -6.026 1.00 0.00 H new ATOM 0 HD2 PRO A -2 4.350 -2.157 -3.768 1.00 0.00 H new ATOM 0 HD3 PRO A -2 4.627 -2.859 -5.349 1.00 0.00 H new ATOM 22 N GLY A -1 9.238 -0.284 -3.847 1.00 0.00 N ATOM 23 CA GLY A -1 9.911 0.563 -2.881 1.00 0.00 C ATOM 24 C GLY A -1 10.276 1.919 -3.453 1.00 0.00 C ATOM 25 O GLY A -1 10.788 2.012 -4.568 1.00 0.00 O ATOM 0 H GLY A -1 9.845 -0.685 -4.562 1.00 0.00 H new ATOM 0 HA2 GLY A -1 9.267 0.700 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A -1 10.815 0.064 -2.532 1.00 0.00 H new ATOM 29 N SER A 0 10.010 2.973 -2.688 1.00 0.00 N ATOM 30 CA SER A 0 10.308 4.331 -3.128 1.00 0.00 C ATOM 31 C SER A 0 11.444 4.931 -2.305 1.00 0.00 C ATOM 32 O SER A 0 11.252 5.323 -1.155 1.00 0.00 O ATOM 33 CB SER A 0 9.062 5.211 -3.017 1.00 0.00 C ATOM 34 OG SER A 0 8.249 4.808 -1.928 1.00 0.00 O ATOM 0 H SER A 0 9.589 2.913 -1.761 1.00 0.00 H new ATOM 0 HA SER A 0 10.621 4.288 -4.171 1.00 0.00 H new ATOM 0 HB2 SER A 0 9.358 6.252 -2.888 1.00 0.00 H new ATOM 0 HB3 SER A 0 8.489 5.155 -3.943 1.00 0.00 H new ATOM 0 HG SER A 0 7.460 5.387 -1.877 1.00 0.00 H new ATOM 40 N MET A 1 12.629 4.998 -2.904 1.00 0.00 N ATOM 41 CA MET A 1 13.796 5.552 -2.228 1.00 0.00 C ATOM 42 C MET A 1 14.630 6.397 -3.186 1.00 0.00 C ATOM 43 O MET A 1 14.882 5.998 -4.323 1.00 0.00 O ATOM 44 CB MET A 1 14.654 4.427 -1.643 1.00 0.00 C ATOM 45 CG MET A 1 14.072 3.814 -0.379 1.00 0.00 C ATOM 46 SD MET A 1 14.589 4.681 1.115 1.00 0.00 S ATOM 47 CE MET A 1 15.256 3.327 2.079 1.00 0.00 C ATOM 0 H MET A 1 12.806 4.676 -3.855 1.00 0.00 H new ATOM 0 HA MET A 1 13.446 6.192 -1.418 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.775 3.646 -2.393 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.648 4.816 -1.424 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.984 3.825 -0.442 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.377 2.770 -0.312 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.618 3.705 3.035 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.476 2.586 2.253 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.081 2.865 1.536 1.00 0.00 H new ATOM 57 N LYS A 2 15.055 7.566 -2.719 1.00 0.00 N ATOM 58 CA LYS A 2 15.861 8.468 -3.533 1.00 0.00 C ATOM 59 C LYS A 2 17.347 8.171 -3.365 1.00 0.00 C ATOM 60 O LYS A 2 17.730 7.298 -2.587 1.00 0.00 O ATOM 61 CB LYS A 2 15.575 9.923 -3.155 1.00 0.00 C ATOM 62 CG LYS A 2 14.433 10.543 -3.941 1.00 0.00 C ATOM 63 CD LYS A 2 13.083 10.171 -3.351 1.00 0.00 C ATOM 64 CE LYS A 2 11.991 10.178 -4.410 1.00 0.00 C ATOM 65 NZ LYS A 2 12.047 8.966 -5.273 1.00 0.00 N ATOM 0 H LYS A 2 14.854 7.911 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 2 15.593 8.311 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.343 9.974 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.477 10.515 -3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.542 11.628 -3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.482 10.211 -4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.144 9.182 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.826 10.872 -2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.016 10.234 -3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.091 11.069 -5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.660 9.190 -6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.035 8.655 -5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.486 8.205 -4.840 1.00 0.00 H new ATOM 79 N GLU A 3 18.180 8.903 -4.099 1.00 0.00 N ATOM 80 CA GLU A 3 19.624 8.717 -4.029 1.00 0.00 C ATOM 81 C GLU A 3 20.349 10.059 -4.077 1.00 0.00 C ATOM 82 O GLU A 3 19.897 10.997 -4.734 1.00 0.00 O ATOM 83 CB GLU A 3 20.102 7.826 -5.178 1.00 0.00 C ATOM 84 CG GLU A 3 19.932 8.459 -6.550 1.00 0.00 C ATOM 85 CD GLU A 3 18.488 8.473 -7.011 1.00 0.00 C ATOM 86 OE1 GLU A 3 17.885 7.384 -7.108 1.00 0.00 O ATOM 87 OE2 GLU A 3 17.961 9.574 -7.275 1.00 0.00 O ATOM 0 H GLU A 3 17.879 9.630 -4.748 1.00 0.00 H new ATOM 0 HA GLU A 3 19.856 8.232 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.154 7.585 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.552 6.885 -5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 3 20.311 9.481 -6.524 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.536 7.913 -7.275 1.00 0.00 H new ATOM 94 N ILE A 4 21.474 10.142 -3.374 1.00 0.00 N ATOM 95 CA ILE A 4 22.261 11.368 -3.336 1.00 0.00 C ATOM 96 C ILE A 4 23.511 11.246 -4.200 1.00 0.00 C ATOM 97 O ILE A 4 24.187 10.217 -4.189 1.00 0.00 O ATOM 98 CB ILE A 4 22.678 11.725 -1.897 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.238 13.148 -1.843 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.702 10.726 -1.380 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.739 13.213 -2.019 1.00 0.00 C ATOM 0 H ILE A 4 21.860 9.375 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 4 21.627 12.162 -3.729 1.00 0.00 H new ATOM 0 HB ILE A 4 21.797 11.678 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.763 13.747 -2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 4 22.972 13.598 -0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 4 23.987 10.991 -0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.270 9.725 -1.387 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.584 10.745 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 4 25.066 14.251 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.223 12.642 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 4 25.010 12.793 -2.987 1.00 0.00 H new ATOM 113 N ILE A 5 23.813 12.303 -4.947 1.00 0.00 N ATOM 114 CA ILE A 5 24.984 12.315 -5.815 1.00 0.00 C ATOM 115 C ILE A 5 25.788 13.598 -5.636 1.00 0.00 C ATOM 116 O ILE A 5 25.236 14.649 -5.305 1.00 0.00 O ATOM 117 CB ILE A 5 24.588 12.172 -7.296 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.454 11.157 -7.448 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.792 11.758 -8.129 1.00 0.00 C ATOM 120 CD1 ILE A 5 23.048 10.915 -8.885 1.00 0.00 C ATOM 0 H ILE A 5 23.263 13.162 -4.968 1.00 0.00 H new ATOM 0 HA ILE A 5 25.599 11.462 -5.528 1.00 0.00 H new ATOM 0 HB ILE A 5 24.236 13.138 -7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.762 10.211 -7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.587 11.507 -6.888 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.496 11.661 -9.173 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.572 12.514 -8.042 1.00 0.00 H new ATOM 0 HG23 ILE A 5 26.172 10.802 -7.769 1.00 0.00 H new ATOM 0 HD11 ILE A 5 22.240 10.185 -8.917 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.709 11.851 -9.330 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.902 10.535 -9.445 1.00 0.00 H new ATOM 132 N LEU A 6 27.094 13.508 -5.859 1.00 0.00 N ATOM 133 CA LEU A 6 27.975 14.663 -5.725 1.00 0.00 C ATOM 134 C LEU A 6 28.872 14.808 -6.950 1.00 0.00 C ATOM 135 O LEU A 6 29.711 13.949 -7.223 1.00 0.00 O ATOM 136 CB LEU A 6 28.831 14.532 -4.464 1.00 0.00 C ATOM 137 CG LEU A 6 29.157 13.106 -4.019 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.597 13.011 -3.540 1.00 0.00 C ATOM 139 CD2 LEU A 6 28.198 12.657 -2.925 1.00 0.00 C ATOM 0 H LEU A 6 27.567 12.647 -6.134 1.00 0.00 H new ATOM 0 HA LEU A 6 27.355 15.556 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.769 15.063 -4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.318 15.038 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 6 29.037 12.442 -4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 6 30.810 11.989 -3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.269 13.290 -4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 6 30.745 13.686 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 6 28.444 11.640 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 6 28.286 13.324 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 6 27.176 12.685 -3.303 1.00 0.00 H new ATOM 151 N TYR A 7 28.691 15.902 -7.682 1.00 0.00 N ATOM 152 CA TYR A 7 29.484 16.160 -8.878 1.00 0.00 C ATOM 153 C TYR A 7 30.692 17.034 -8.553 1.00 0.00 C ATOM 154 O TYR A 7 30.557 18.231 -8.295 1.00 0.00 O ATOM 155 CB TYR A 7 28.626 16.835 -9.949 1.00 0.00 C ATOM 156 CG TYR A 7 27.454 15.995 -10.404 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.614 15.009 -11.370 1.00 0.00 C ATOM 158 CD2 TYR A 7 26.186 16.187 -9.869 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.546 14.240 -11.790 1.00 0.00 C ATOM 160 CE2 TYR A 7 25.113 15.421 -10.281 1.00 0.00 C ATOM 161 CZ TYR A 7 25.298 14.449 -11.242 1.00 0.00 C ATOM 162 OH TYR A 7 24.231 13.685 -11.656 1.00 0.00 O ATOM 0 H TYR A 7 28.003 16.624 -7.468 1.00 0.00 H new ATOM 0 HA TYR A 7 29.842 15.203 -9.258 1.00 0.00 H new ATOM 0 HB2 TYR A 7 28.254 17.783 -9.560 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.252 17.068 -10.811 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.590 14.841 -11.800 1.00 0.00 H new ATOM 0 HD2 TYR A 7 26.037 16.949 -9.118 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.688 13.479 -12.543 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.135 15.582 -9.853 1.00 0.00 H new ATOM 0 HH TYR A 7 23.425 13.959 -11.171 1.00 0.00 H new ATOM 172 N THR A 8 31.875 16.427 -8.568 1.00 0.00 N ATOM 173 CA THR A 8 33.107 17.148 -8.275 1.00 0.00 C ATOM 174 C THR A 8 34.319 16.228 -8.376 1.00 0.00 C ATOM 175 O THR A 8 34.187 15.045 -8.686 1.00 0.00 O ATOM 176 CB THR A 8 33.069 17.776 -6.869 1.00 0.00 C ATOM 177 OG1 THR A 8 31.995 17.212 -6.109 1.00 0.00 O ATOM 178 CG2 THR A 8 32.897 19.285 -6.956 1.00 0.00 C ATOM 0 H THR A 8 32.005 15.438 -8.780 1.00 0.00 H new ATOM 0 HA THR A 8 33.194 17.942 -9.017 1.00 0.00 H new ATOM 0 HB THR A 8 34.016 17.561 -6.373 1.00 0.00 H new ATOM 0 HG1 THR A 8 31.979 17.616 -5.216 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.873 19.707 -5.951 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.731 19.715 -7.510 1.00 0.00 H new ATOM 0 HG23 THR A 8 31.963 19.516 -7.469 1.00 0.00 H new ATOM 186 N ARG A 9 35.498 16.781 -8.110 1.00 0.00 N ATOM 187 CA ARG A 9 36.734 16.009 -8.172 1.00 0.00 C ATOM 188 C ARG A 9 37.017 15.328 -6.836 1.00 0.00 C ATOM 189 O ARG A 9 36.522 15.738 -5.785 1.00 0.00 O ATOM 190 CB ARG A 9 37.907 16.914 -8.553 1.00 0.00 C ATOM 191 CG ARG A 9 37.986 18.189 -7.729 1.00 0.00 C ATOM 192 CD ARG A 9 39.254 18.971 -8.032 1.00 0.00 C ATOM 193 NE ARG A 9 40.447 18.131 -7.953 1.00 0.00 N ATOM 194 CZ ARG A 9 41.625 18.477 -8.460 1.00 0.00 C ATOM 195 NH1 ARG A 9 41.767 19.641 -9.079 1.00 0.00 N ATOM 196 NH2 ARG A 9 42.663 17.659 -8.347 1.00 0.00 N ATOM 0 H ARG A 9 35.624 17.759 -7.850 1.00 0.00 H new ATOM 0 HA ARG A 9 36.614 15.240 -8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.837 16.358 -8.436 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.824 17.178 -9.607 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.115 18.811 -7.936 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.955 17.940 -6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 9 39.182 19.406 -9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 9 39.346 19.799 -7.329 1.00 0.00 H new ATOM 0 HE ARG A 9 40.371 17.229 -7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 9 40.971 20.273 -9.166 1.00 0.00 H new ATOM 0 HH12 ARG A 9 42.672 19.905 -9.468 1.00 0.00 H new ATOM 0 HH21 ARG A 9 42.557 16.763 -7.870 1.00 0.00 H new ATOM 0 HH22 ARG A 9 43.567 17.926 -8.737 1.00 0.00 H new ATOM 210 N PRO A 10 37.832 14.264 -6.875 1.00 0.00 N ATOM 211 CA PRO A 10 38.199 13.504 -5.676 1.00 0.00 C ATOM 212 C PRO A 10 39.114 14.293 -4.747 1.00 0.00 C ATOM 213 O PRO A 10 39.395 13.867 -3.628 1.00 0.00 O ATOM 214 CB PRO A 10 38.933 12.284 -6.240 1.00 0.00 C ATOM 215 CG PRO A 10 39.462 12.737 -7.557 1.00 0.00 C ATOM 216 CD PRO A 10 38.458 13.720 -8.092 1.00 0.00 C ATOM 0 HA PRO A 10 37.328 13.253 -5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 10 39.738 11.965 -5.578 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.260 11.435 -6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.441 13.202 -7.445 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.585 11.895 -8.238 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.936 14.502 -8.682 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.726 13.236 -8.738 1.00 0.00 H new ATOM 224 N ASN A 11 39.576 15.447 -5.218 1.00 0.00 N ATOM 225 CA ASN A 11 40.460 16.296 -4.429 1.00 0.00 C ATOM 226 C ASN A 11 39.702 17.491 -3.860 1.00 0.00 C ATOM 227 O ASN A 11 40.077 18.643 -4.082 1.00 0.00 O ATOM 228 CB ASN A 11 41.632 16.783 -5.284 1.00 0.00 C ATOM 229 CG ASN A 11 42.904 16.956 -4.477 1.00 0.00 C ATOM 230 OD1 ASN A 11 42.894 17.561 -3.404 1.00 0.00 O ATOM 231 ND2 ASN A 11 44.008 16.425 -4.990 1.00 0.00 N ATOM 0 H ASN A 11 39.352 15.815 -6.143 1.00 0.00 H new ATOM 0 HA ASN A 11 40.845 15.703 -3.599 1.00 0.00 H new ATOM 0 HB2 ASN A 11 41.810 16.071 -6.090 1.00 0.00 H new ATOM 0 HB3 ASN A 11 41.368 17.733 -5.750 1.00 0.00 H new ATOM 0 HD21 ASN A 11 44.894 16.510 -4.492 1.00 0.00 H new ATOM 0 HD22 ASN A 11 43.970 15.932 -5.882 1.00 0.00 H new ATOM 238 N CYS A 12 38.632 17.209 -3.123 1.00 0.00 N ATOM 239 CA CYS A 12 37.819 18.259 -2.521 1.00 0.00 C ATOM 240 C CYS A 12 37.895 18.200 -0.998 1.00 0.00 C ATOM 241 O CYS A 12 37.221 17.401 -0.349 1.00 0.00 O ATOM 242 CB CYS A 12 36.364 18.131 -2.976 1.00 0.00 C ATOM 243 SG CYS A 12 35.706 16.434 -2.890 1.00 0.00 S ATOM 0 H CYS A 12 38.308 16.262 -2.929 1.00 0.00 H new ATOM 0 HA CYS A 12 38.212 19.221 -2.850 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.743 18.782 -2.360 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.282 18.490 -4.002 1.00 0.00 H new ATOM 248 N PRO A 13 38.735 19.067 -0.414 1.00 0.00 N ATOM 249 CA PRO A 13 38.919 19.134 1.039 1.00 0.00 C ATOM 250 C PRO A 13 37.692 19.690 1.754 1.00 0.00 C ATOM 251 O PRO A 13 37.624 19.689 2.983 1.00 0.00 O ATOM 252 CB PRO A 13 40.109 20.083 1.202 1.00 0.00 C ATOM 253 CG PRO A 13 40.090 20.930 -0.023 1.00 0.00 C ATOM 254 CD PRO A 13 39.570 20.049 -1.126 1.00 0.00 C ATOM 0 HA PRO A 13 39.079 18.148 1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 13 40.012 20.688 2.103 1.00 0.00 H new ATOM 0 HB3 PRO A 13 41.046 19.532 1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.450 21.802 0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 13 41.088 21.301 -0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 13 38.990 20.617 -1.854 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.381 19.566 -1.671 1.00 0.00 H new ATOM 262 N TYR A 14 36.725 20.165 0.976 1.00 0.00 N ATOM 263 CA TYR A 14 35.501 20.726 1.535 1.00 0.00 C ATOM 264 C TYR A 14 34.352 19.727 1.443 1.00 0.00 C ATOM 265 O TYR A 14 33.564 19.581 2.378 1.00 0.00 O ATOM 266 CB TYR A 14 35.128 22.018 0.807 1.00 0.00 C ATOM 267 CG TYR A 14 35.824 23.244 1.354 1.00 0.00 C ATOM 268 CD1 TYR A 14 35.706 23.595 2.693 1.00 0.00 C ATOM 269 CD2 TYR A 14 36.598 24.053 0.531 1.00 0.00 C ATOM 270 CE1 TYR A 14 36.339 24.714 3.197 1.00 0.00 C ATOM 271 CE2 TYR A 14 37.236 25.174 1.027 1.00 0.00 C ATOM 272 CZ TYR A 14 37.103 25.500 2.360 1.00 0.00 C ATOM 273 OH TYR A 14 37.736 26.616 2.857 1.00 0.00 O ATOM 0 H TYR A 14 36.765 20.173 -0.043 1.00 0.00 H new ATOM 0 HA TYR A 14 35.681 20.949 2.587 1.00 0.00 H new ATOM 0 HB2 TYR A 14 35.372 21.913 -0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 14 34.050 22.163 0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 14 35.109 22.982 3.351 1.00 0.00 H new ATOM 0 HD2 TYR A 14 36.703 23.801 -0.514 1.00 0.00 H new ATOM 0 HE1 TYR A 14 36.236 24.972 4.241 1.00 0.00 H new ATOM 0 HE2 TYR A 14 37.835 25.791 0.374 1.00 0.00 H new ATOM 0 HH TYR A 14 38.233 27.058 2.137 1.00 0.00 H new ATOM 283 N CYS A 15 34.263 19.041 0.309 1.00 0.00 N ATOM 284 CA CYS A 15 33.212 18.055 0.091 1.00 0.00 C ATOM 285 C CYS A 15 33.217 17.001 1.196 1.00 0.00 C ATOM 286 O CYS A 15 32.207 16.343 1.447 1.00 0.00 O ATOM 287 CB CYS A 15 33.389 17.381 -1.271 1.00 0.00 C ATOM 288 SG CYS A 15 34.651 16.068 -1.293 1.00 0.00 S ATOM 0 H CYS A 15 34.907 19.150 -0.474 1.00 0.00 H new ATOM 0 HA CYS A 15 32.253 18.573 0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 15 32.434 16.957 -1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 15 33.656 18.139 -2.007 1.00 0.00 H new ATOM 293 N LYS A 16 34.361 16.847 1.853 1.00 0.00 N ATOM 294 CA LYS A 16 34.500 15.876 2.932 1.00 0.00 C ATOM 295 C LYS A 16 33.350 16.000 3.926 1.00 0.00 C ATOM 296 O LYS A 16 32.922 15.010 4.521 1.00 0.00 O ATOM 297 CB LYS A 16 35.835 16.071 3.653 1.00 0.00 C ATOM 298 CG LYS A 16 37.021 15.484 2.907 1.00 0.00 C ATOM 299 CD LYS A 16 38.303 16.240 3.214 1.00 0.00 C ATOM 300 CE LYS A 16 38.947 15.744 4.500 1.00 0.00 C ATOM 301 NZ LYS A 16 38.392 16.431 5.699 1.00 0.00 N ATOM 0 H LYS A 16 35.207 17.383 1.657 1.00 0.00 H new ATOM 0 HA LYS A 16 34.473 14.878 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 16 36.004 17.137 3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.775 15.614 4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 16 37.141 14.436 3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 16 36.828 15.513 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 16 39.003 16.123 2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.087 17.305 3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 16 38.792 14.669 4.593 1.00 0.00 H new ATOM 0 HE3 LYS A 16 40.024 15.908 4.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 39.155 16.603 6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 37.970 17.338 5.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 37.663 15.832 6.136 1.00 0.00 H new ATOM 315 N ARG A 17 32.854 17.220 4.101 1.00 0.00 N ATOM 316 CA ARG A 17 31.753 17.473 5.024 1.00 0.00 C ATOM 317 C ARG A 17 30.471 16.806 4.535 1.00 0.00 C ATOM 318 O ARG A 17 29.720 16.230 5.322 1.00 0.00 O ATOM 319 CB ARG A 17 31.529 18.977 5.184 1.00 0.00 C ATOM 320 CG ARG A 17 32.435 19.621 6.222 1.00 0.00 C ATOM 321 CD ARG A 17 33.878 19.675 5.744 1.00 0.00 C ATOM 322 NE ARG A 17 34.620 18.470 6.105 1.00 0.00 N ATOM 323 CZ ARG A 17 34.989 18.179 7.347 1.00 0.00 C ATOM 324 NH1 ARG A 17 34.687 19.001 8.342 1.00 0.00 N ATOM 325 NH2 ARG A 17 35.662 17.063 7.596 1.00 0.00 N ATOM 0 H ARG A 17 33.197 18.049 3.616 1.00 0.00 H new ATOM 0 HA ARG A 17 32.018 17.047 5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.689 19.464 4.222 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.490 19.154 5.462 1.00 0.00 H new ATOM 0 HG2 ARG A 17 32.084 20.630 6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 17 32.380 19.059 7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 17 33.897 19.801 4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 17 34.370 20.547 6.175 1.00 0.00 H new ATOM 0 HE ARG A 17 34.868 17.816 5.363 1.00 0.00 H new ATOM 0 HH11 ARG A 17 34.170 19.860 8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 17 34.972 18.775 9.295 1.00 0.00 H new ATOM 0 HH21 ARG A 17 35.896 16.428 6.833 1.00 0.00 H new ATOM 0 HH22 ARG A 17 35.945 16.840 8.550 1.00 0.00 H new ATOM 339 N ALA A 18 30.226 16.889 3.232 1.00 0.00 N ATOM 340 CA ALA A 18 29.036 16.293 2.638 1.00 0.00 C ATOM 341 C ALA A 18 29.098 14.770 2.695 1.00 0.00 C ATOM 342 O ALA A 18 28.190 14.121 3.214 1.00 0.00 O ATOM 343 CB ALA A 18 28.871 16.763 1.201 1.00 0.00 C ATOM 0 H ALA A 18 30.836 17.364 2.567 1.00 0.00 H new ATOM 0 HA ALA A 18 28.171 16.617 3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 18 27.978 16.310 0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.772 17.848 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 18 29.744 16.468 0.619 1.00 0.00 H new ATOM 349 N ARG A 19 30.174 14.206 2.157 1.00 0.00 N ATOM 350 CA ARG A 19 30.353 12.759 2.145 1.00 0.00 C ATOM 351 C ARG A 19 30.355 12.200 3.565 1.00 0.00 C ATOM 352 O ARG A 19 29.911 11.076 3.800 1.00 0.00 O ATOM 353 CB ARG A 19 31.659 12.391 1.439 1.00 0.00 C ATOM 354 CG ARG A 19 32.898 12.625 2.288 1.00 0.00 C ATOM 355 CD ARG A 19 33.286 11.375 3.062 1.00 0.00 C ATOM 356 NE ARG A 19 33.884 11.696 4.355 1.00 0.00 N ATOM 357 CZ ARG A 19 34.174 10.784 5.278 1.00 0.00 C ATOM 358 NH1 ARG A 19 33.922 9.503 5.050 1.00 0.00 N ATOM 359 NH2 ARG A 19 34.717 11.154 6.430 1.00 0.00 N ATOM 0 H ARG A 19 30.935 14.729 1.724 1.00 0.00 H new ATOM 0 HA ARG A 19 29.517 12.319 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.621 11.341 1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.743 12.973 0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 19 33.726 12.930 1.649 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.714 13.443 2.984 1.00 0.00 H new ATOM 0 HD2 ARG A 19 32.403 10.755 3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 19 33.990 10.788 2.473 1.00 0.00 H new ATOM 0 HE ARG A 19 34.091 12.673 4.561 1.00 0.00 H new ATOM 0 HH11 ARG A 19 33.505 9.215 4.165 1.00 0.00 H new ATOM 0 HH12 ARG A 19 34.145 8.805 5.760 1.00 0.00 H new ATOM 0 HH21 ARG A 19 34.913 12.139 6.609 1.00 0.00 H new ATOM 0 HH22 ARG A 19 34.939 10.454 7.137 1.00 0.00 H new ATOM 373 N ASP A 20 30.858 12.991 4.506 1.00 0.00 N ATOM 374 CA ASP A 20 30.918 12.576 5.902 1.00 0.00 C ATOM 375 C ASP A 20 29.524 12.556 6.523 1.00 0.00 C ATOM 376 O ASP A 20 29.175 11.633 7.260 1.00 0.00 O ATOM 377 CB ASP A 20 31.830 13.512 6.697 1.00 0.00 C ATOM 378 CG ASP A 20 31.774 13.246 8.188 1.00 0.00 C ATOM 379 OD1 ASP A 20 31.929 12.074 8.589 1.00 0.00 O ATOM 380 OD2 ASP A 20 31.576 14.212 8.955 1.00 0.00 O ATOM 0 H ASP A 20 31.230 13.924 4.327 1.00 0.00 H new ATOM 0 HA ASP A 20 31.327 11.566 5.938 1.00 0.00 H new ATOM 0 HB2 ASP A 20 32.856 13.397 6.349 1.00 0.00 H new ATOM 0 HB3 ASP A 20 31.542 14.545 6.504 1.00 0.00 H new ATOM 385 N LEU A 21 28.733 13.579 6.222 1.00 0.00 N ATOM 386 CA LEU A 21 27.377 13.680 6.751 1.00 0.00 C ATOM 387 C LEU A 21 26.521 12.509 6.281 1.00 0.00 C ATOM 388 O LEU A 21 25.852 11.855 7.082 1.00 0.00 O ATOM 389 CB LEU A 21 26.737 15.000 6.318 1.00 0.00 C ATOM 390 CG LEU A 21 25.211 15.064 6.397 1.00 0.00 C ATOM 391 CD1 LEU A 21 24.753 16.473 6.739 1.00 0.00 C ATOM 392 CD2 LEU A 21 24.590 14.602 5.087 1.00 0.00 C ATOM 0 H LEU A 21 29.007 14.351 5.614 1.00 0.00 H new ATOM 0 HA LEU A 21 27.435 13.651 7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 21 27.147 15.799 6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 21 27.037 15.206 5.290 1.00 0.00 H new ATOM 0 HG LEU A 21 24.878 14.394 7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 21 23.665 16.499 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 21 25.169 16.767 7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.096 17.164 5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 21 23.504 14.654 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.930 15.246 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 21 24.891 13.574 4.884 1.00 0.00 H new ATOM 404 N LEU A 22 26.548 12.247 4.979 1.00 0.00 N ATOM 405 CA LEU A 22 25.776 11.152 4.402 1.00 0.00 C ATOM 406 C LEU A 22 26.271 9.805 4.919 1.00 0.00 C ATOM 407 O LEU A 22 25.504 9.024 5.482 1.00 0.00 O ATOM 408 CB LEU A 22 25.863 11.190 2.876 1.00 0.00 C ATOM 409 CG LEU A 22 25.683 12.562 2.226 1.00 0.00 C ATOM 410 CD1 LEU A 22 26.615 12.716 1.035 1.00 0.00 C ATOM 411 CD2 LEU A 22 24.235 12.766 1.803 1.00 0.00 C ATOM 0 H LEU A 22 27.096 12.778 4.303 1.00 0.00 H new ATOM 0 HA LEU A 22 24.736 11.275 4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 22 26.834 10.794 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 22 25.106 10.517 2.472 1.00 0.00 H new ATOM 0 HG LEU A 22 25.937 13.326 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.472 13.699 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 22 27.649 12.615 1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 22 26.394 11.944 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 22 24.125 13.748 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 22 23.953 11.995 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.588 12.701 2.678 1.00 0.00 H new ATOM 423 N ASP A 23 27.558 9.541 4.725 1.00 0.00 N ATOM 424 CA ASP A 23 28.158 8.289 5.174 1.00 0.00 C ATOM 425 C ASP A 23 27.854 8.039 6.647 1.00 0.00 C ATOM 426 O ASP A 23 27.636 6.901 7.063 1.00 0.00 O ATOM 427 CB ASP A 23 29.670 8.314 4.949 1.00 0.00 C ATOM 428 CG ASP A 23 30.374 7.149 5.616 1.00 0.00 C ATOM 429 OD1 ASP A 23 30.773 7.290 6.791 1.00 0.00 O ATOM 430 OD2 ASP A 23 30.527 6.095 4.963 1.00 0.00 O ATOM 0 H ASP A 23 28.206 10.177 4.260 1.00 0.00 H new ATOM 0 HA ASP A 23 27.725 7.477 4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 23 29.875 8.294 3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 23 30.076 9.249 5.334 1.00 0.00 H new ATOM 435 N LYS A 24 27.842 9.110 7.434 1.00 0.00 N ATOM 436 CA LYS A 24 27.565 9.008 8.862 1.00 0.00 C ATOM 437 C LYS A 24 26.070 8.842 9.116 1.00 0.00 C ATOM 438 O LYS A 24 25.661 8.244 10.111 1.00 0.00 O ATOM 439 CB LYS A 24 28.082 10.249 9.592 1.00 0.00 C ATOM 440 CG LYS A 24 29.590 10.262 9.777 1.00 0.00 C ATOM 441 CD LYS A 24 29.997 9.610 11.087 1.00 0.00 C ATOM 442 CE LYS A 24 31.484 9.785 11.359 1.00 0.00 C ATOM 443 NZ LYS A 24 31.982 8.810 12.368 1.00 0.00 N ATOM 0 H LYS A 24 28.021 10.059 7.106 1.00 0.00 H new ATOM 0 HA LYS A 24 28.081 8.127 9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 24 27.785 11.138 9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 24 27.604 10.311 10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.064 9.739 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.951 11.290 9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 24 29.423 10.045 11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 24 29.754 8.548 11.057 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.040 9.662 10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.672 10.799 11.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.999 8.962 12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.469 8.944 13.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 31.826 7.842 12.022 1.00 0.00 H new ATOM 457 N LYS A 25 25.258 9.374 8.208 1.00 0.00 N ATOM 458 CA LYS A 25 23.808 9.283 8.332 1.00 0.00 C ATOM 459 C LYS A 25 23.329 7.857 8.081 1.00 0.00 C ATOM 460 O LYS A 25 22.334 7.416 8.655 1.00 0.00 O ATOM 461 CB LYS A 25 23.131 10.240 7.348 1.00 0.00 C ATOM 462 CG LYS A 25 22.327 11.338 8.022 1.00 0.00 C ATOM 463 CD LYS A 25 23.213 12.238 8.867 1.00 0.00 C ATOM 464 CE LYS A 25 22.425 13.393 9.465 1.00 0.00 C ATOM 465 NZ LYS A 25 22.490 14.611 8.611 1.00 0.00 N ATOM 0 H LYS A 25 25.580 9.873 7.378 1.00 0.00 H new ATOM 0 HA LYS A 25 23.537 9.565 9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.893 10.695 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 25 22.473 9.669 6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.817 11.934 7.265 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.555 10.892 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.669 11.654 9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 25 24.026 12.629 8.255 1.00 0.00 H new ATOM 0 HE2 LYS A 25 21.384 13.095 9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 25 22.815 13.624 10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.775 15.296 8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 23.436 15.038 8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.305 14.351 7.621 1.00 0.00 H new ATOM 479 N GLY A 26 24.046 7.139 7.221 1.00 0.00 N ATOM 480 CA GLY A 26 23.679 5.769 6.912 1.00 0.00 C ATOM 481 C GLY A 26 23.084 5.628 5.525 1.00 0.00 C ATOM 482 O GLY A 26 22.087 4.931 5.337 1.00 0.00 O ATOM 0 H GLY A 26 24.874 7.481 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.560 5.133 6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.961 5.413 7.650 1.00 0.00 H new ATOM 486 N VAL A 27 23.696 6.292 4.550 1.00 0.00 N ATOM 487 CA VAL A 27 23.221 6.238 3.172 1.00 0.00 C ATOM 488 C VAL A 27 24.368 5.969 2.205 1.00 0.00 C ATOM 489 O VAL A 27 25.534 5.942 2.599 1.00 0.00 O ATOM 490 CB VAL A 27 22.520 7.549 2.768 1.00 0.00 C ATOM 491 CG1 VAL A 27 21.079 7.556 3.253 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.281 8.749 3.314 1.00 0.00 C ATOM 0 H VAL A 27 24.522 6.874 4.689 1.00 0.00 H new ATOM 0 HA VAL A 27 22.504 5.419 3.117 1.00 0.00 H new ATOM 0 HB VAL A 27 22.512 7.616 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.600 8.490 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.542 6.717 2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.060 7.466 4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.772 9.667 3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.322 8.690 4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.294 8.751 2.912 1.00 0.00 H new ATOM 502 N LYS A 28 24.030 5.769 0.936 1.00 0.00 N ATOM 503 CA LYS A 28 25.030 5.503 -0.091 1.00 0.00 C ATOM 504 C LYS A 28 25.068 6.630 -1.119 1.00 0.00 C ATOM 505 O LYS A 28 24.190 6.730 -1.976 1.00 0.00 O ATOM 506 CB LYS A 28 24.736 4.173 -0.787 1.00 0.00 C ATOM 507 CG LYS A 28 25.671 3.050 -0.373 1.00 0.00 C ATOM 508 CD LYS A 28 27.006 3.142 -1.094 1.00 0.00 C ATOM 509 CE LYS A 28 27.014 2.302 -2.362 1.00 0.00 C ATOM 510 NZ LYS A 28 26.861 0.850 -2.067 1.00 0.00 N ATOM 0 H LYS A 28 23.069 5.786 0.594 1.00 0.00 H new ATOM 0 HA LYS A 28 26.005 5.444 0.394 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.709 3.878 -0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.806 4.314 -1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 28 25.834 3.090 0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 28 25.205 2.089 -0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 28 27.215 4.182 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 28 27.803 2.808 -0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 28 26.206 2.626 -3.018 1.00 0.00 H new ATOM 0 HE3 LYS A 28 27.947 2.467 -2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 27.294 0.293 -2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 27.332 0.627 -1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 25.850 0.615 -1.997 1.00 0.00 H new ATOM 524 N TYR A 29 26.090 7.473 -1.028 1.00 0.00 N ATOM 525 CA TYR A 29 26.241 8.593 -1.950 1.00 0.00 C ATOM 526 C TYR A 29 27.101 8.200 -3.147 1.00 0.00 C ATOM 527 O TYR A 29 28.050 7.425 -3.019 1.00 0.00 O ATOM 528 CB TYR A 29 26.865 9.791 -1.232 1.00 0.00 C ATOM 529 CG TYR A 29 28.310 9.579 -0.841 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.337 9.822 -1.745 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.648 9.133 0.431 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.659 9.629 -1.392 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.967 8.938 0.792 1.00 0.00 C ATOM 534 CZ TYR A 29 30.969 9.187 -0.123 1.00 0.00 C ATOM 535 OH TYR A 29 32.284 8.993 0.233 1.00 0.00 O ATOM 0 H TYR A 29 26.826 7.403 -0.326 1.00 0.00 H new ATOM 0 HA TYR A 29 25.251 8.870 -2.311 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.797 10.666 -1.878 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.284 10.010 -0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.098 10.167 -2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.866 8.936 1.149 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.445 9.823 -2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 29 30.213 8.592 1.785 1.00 0.00 H new ATOM 0 HH TYR A 29 32.329 8.681 1.161 1.00 0.00 H new ATOM 545 N THR A 30 26.762 8.741 -4.314 1.00 0.00 N ATOM 546 CA THR A 30 27.500 8.448 -5.535 1.00 0.00 C ATOM 547 C THR A 30 28.435 9.595 -5.902 1.00 0.00 C ATOM 548 O THR A 30 27.985 10.690 -6.239 1.00 0.00 O ATOM 549 CB THR A 30 26.549 8.179 -6.716 1.00 0.00 C ATOM 550 OG1 THR A 30 25.724 7.043 -6.432 1.00 0.00 O ATOM 551 CG2 THR A 30 27.332 7.935 -7.997 1.00 0.00 C ATOM 0 H THR A 30 25.980 9.385 -4.438 1.00 0.00 H new ATOM 0 HA THR A 30 28.088 7.551 -5.340 1.00 0.00 H new ATOM 0 HB THR A 30 25.921 9.059 -6.855 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.121 6.880 -7.187 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.639 7.747 -8.817 1.00 0.00 H new ATOM 0 HG22 THR A 30 27.937 8.812 -8.227 1.00 0.00 H new ATOM 0 HG23 THR A 30 27.982 7.070 -7.867 1.00 0.00 H new ATOM 559 N ASP A 31 29.736 9.337 -5.834 1.00 0.00 N ATOM 560 CA ASP A 31 30.734 10.348 -6.160 1.00 0.00 C ATOM 561 C ASP A 31 30.993 10.391 -7.663 1.00 0.00 C ATOM 562 O ASP A 31 31.523 9.439 -8.238 1.00 0.00 O ATOM 563 CB ASP A 31 32.039 10.068 -5.413 1.00 0.00 C ATOM 564 CG ASP A 31 33.102 11.112 -5.692 1.00 0.00 C ATOM 565 OD1 ASP A 31 32.742 12.221 -6.139 1.00 0.00 O ATOM 566 OD2 ASP A 31 34.294 10.820 -5.463 1.00 0.00 O ATOM 0 H ASP A 31 30.124 8.436 -5.556 1.00 0.00 H new ATOM 0 HA ASP A 31 30.347 11.318 -5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 31 31.841 10.033 -4.342 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.415 9.086 -5.700 1.00 0.00 H new ATOM 571 N ILE A 32 30.616 11.498 -8.292 1.00 0.00 N ATOM 572 CA ILE A 32 30.807 11.664 -9.728 1.00 0.00 C ATOM 573 C ILE A 32 32.089 12.434 -10.026 1.00 0.00 C ATOM 574 O ILE A 32 32.254 13.576 -9.598 1.00 0.00 O ATOM 575 CB ILE A 32 29.618 12.400 -10.373 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.320 11.627 -10.131 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.858 12.588 -11.864 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.237 10.328 -10.901 1.00 0.00 C ATOM 0 H ILE A 32 30.176 12.294 -7.830 1.00 0.00 H new ATOM 0 HA ILE A 32 30.879 10.664 -10.155 1.00 0.00 H new ATOM 0 HB ILE A 32 29.525 13.383 -9.912 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.226 11.415 -9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.475 12.258 -10.406 1.00 0.00 H new ATOM 0 HG21 ILE A 32 29.009 13.110 -12.306 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.764 13.175 -12.016 1.00 0.00 H new ATOM 0 HG23 ILE A 32 29.973 11.614 -12.340 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.291 9.834 -10.681 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.299 10.534 -11.970 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.062 9.678 -10.609 1.00 0.00 H new ATOM 590 N ASP A 33 32.995 11.801 -10.764 1.00 0.00 N ATOM 591 CA ASP A 33 34.262 12.427 -11.123 1.00 0.00 C ATOM 592 C ASP A 33 34.033 13.806 -11.734 1.00 0.00 C ATOM 593 O ASP A 33 33.064 14.021 -12.461 1.00 0.00 O ATOM 594 CB ASP A 33 35.032 11.543 -12.105 1.00 0.00 C ATOM 595 CG ASP A 33 35.726 10.383 -11.418 1.00 0.00 C ATOM 596 OD1 ASP A 33 35.095 9.316 -11.271 1.00 0.00 O ATOM 597 OD2 ASP A 33 36.902 10.543 -11.027 1.00 0.00 O ATOM 0 H ASP A 33 32.875 10.855 -11.125 1.00 0.00 H new ATOM 0 HA ASP A 33 34.851 12.545 -10.213 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.345 11.157 -12.858 1.00 0.00 H new ATOM 0 HB3 ASP A 33 35.773 12.147 -12.629 1.00 0.00 H new ATOM 602 N ALA A 34 34.931 14.738 -11.431 1.00 0.00 N ATOM 603 CA ALA A 34 34.827 16.096 -11.951 1.00 0.00 C ATOM 604 C ALA A 34 34.886 16.107 -13.474 1.00 0.00 C ATOM 605 O ALA A 34 34.500 17.086 -14.113 1.00 0.00 O ATOM 606 CB ALA A 34 35.931 16.968 -11.372 1.00 0.00 C ATOM 0 H ALA A 34 35.738 14.577 -10.828 1.00 0.00 H new ATOM 0 HA ALA A 34 33.862 16.502 -11.648 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.842 17.979 -11.769 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.842 16.995 -10.286 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.902 16.555 -11.646 1.00 0.00 H new ATOM 612 N SER A 35 35.372 15.012 -14.051 1.00 0.00 N ATOM 613 CA SER A 35 35.486 14.898 -15.500 1.00 0.00 C ATOM 614 C SER A 35 34.179 15.296 -16.181 1.00 0.00 C ATOM 615 O SER A 35 33.176 14.588 -16.088 1.00 0.00 O ATOM 616 CB SER A 35 35.864 13.468 -15.892 1.00 0.00 C ATOM 617 OG SER A 35 37.232 13.212 -15.627 1.00 0.00 O ATOM 0 H SER A 35 35.693 14.192 -13.537 1.00 0.00 H new ATOM 0 HA SER A 35 36.270 15.578 -15.833 1.00 0.00 H new ATOM 0 HB2 SER A 35 35.245 12.761 -15.340 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.660 13.312 -16.951 1.00 0.00 H new ATOM 0 HG SER A 35 37.448 12.291 -15.884 1.00 0.00 H new ATOM 623 N THR A 36 34.199 16.434 -16.866 1.00 0.00 N ATOM 624 CA THR A 36 33.017 16.928 -17.562 1.00 0.00 C ATOM 625 C THR A 36 32.611 15.988 -18.691 1.00 0.00 C ATOM 626 O THR A 36 31.450 15.957 -19.099 1.00 0.00 O ATOM 627 CB THR A 36 33.254 18.336 -18.141 1.00 0.00 C ATOM 628 OG1 THR A 36 34.474 18.359 -18.889 1.00 0.00 O ATOM 629 CG2 THR A 36 33.313 19.375 -17.031 1.00 0.00 C ATOM 0 H THR A 36 35.021 17.032 -16.954 1.00 0.00 H new ATOM 0 HA THR A 36 32.214 16.976 -16.827 1.00 0.00 H new ATOM 0 HB THR A 36 32.420 18.579 -18.800 1.00 0.00 H new ATOM 0 HG1 THR A 36 34.616 19.257 -19.255 1.00 0.00 H new ATOM 0 HG21 THR A 36 33.481 20.361 -17.464 1.00 0.00 H new ATOM 0 HG22 THR A 36 32.371 19.375 -16.483 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.129 19.134 -16.350 1.00 0.00 H new ATOM 637 N SER A 37 33.575 15.223 -19.193 1.00 0.00 N ATOM 638 CA SER A 37 33.318 14.283 -20.279 1.00 0.00 C ATOM 639 C SER A 37 32.093 13.425 -19.976 1.00 0.00 C ATOM 640 O SER A 37 31.363 13.021 -20.882 1.00 0.00 O ATOM 641 CB SER A 37 34.537 13.389 -20.507 1.00 0.00 C ATOM 642 OG SER A 37 35.725 14.157 -20.594 1.00 0.00 O ATOM 0 H SER A 37 34.541 15.235 -18.866 1.00 0.00 H new ATOM 0 HA SER A 37 33.123 14.857 -21.185 1.00 0.00 H new ATOM 0 HB2 SER A 37 34.623 12.672 -19.691 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.404 12.814 -21.424 1.00 0.00 H new ATOM 0 HG SER A 37 36.490 13.561 -20.738 1.00 0.00 H new ATOM 648 N LEU A 38 31.873 13.151 -18.695 1.00 0.00 N ATOM 649 CA LEU A 38 30.737 12.340 -18.270 1.00 0.00 C ATOM 650 C LEU A 38 29.899 13.079 -17.231 1.00 0.00 C ATOM 651 O LEU A 38 28.675 12.953 -17.202 1.00 0.00 O ATOM 652 CB LEU A 38 31.222 11.008 -17.696 1.00 0.00 C ATOM 653 CG LEU A 38 30.417 9.771 -18.099 1.00 0.00 C ATOM 654 CD1 LEU A 38 30.896 9.235 -19.439 1.00 0.00 C ATOM 655 CD2 LEU A 38 30.517 8.697 -17.026 1.00 0.00 C ATOM 0 H LEU A 38 32.466 13.478 -17.932 1.00 0.00 H new ATOM 0 HA LEU A 38 30.113 12.147 -19.143 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.257 10.859 -18.002 1.00 0.00 H new ATOM 0 HB3 LEU A 38 31.218 11.081 -16.608 1.00 0.00 H new ATOM 0 HG LEU A 38 29.371 10.059 -18.200 1.00 0.00 H new ATOM 0 HD11 LEU A 38 30.312 8.355 -19.709 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.771 10.002 -20.203 1.00 0.00 H new ATOM 0 HD13 LEU A 38 31.949 8.963 -19.367 1.00 0.00 H new ATOM 0 HD21 LEU A 38 29.938 7.825 -17.329 1.00 0.00 H new ATOM 0 HD22 LEU A 38 31.561 8.412 -16.893 1.00 0.00 H new ATOM 0 HD23 LEU A 38 30.124 9.084 -16.086 1.00 0.00 H new ATOM 667 N ARG A 39 30.567 13.853 -16.381 1.00 0.00 N ATOM 668 CA ARG A 39 29.884 14.613 -15.342 1.00 0.00 C ATOM 669 C ARG A 39 28.883 15.590 -15.951 1.00 0.00 C ATOM 670 O ARG A 39 27.809 15.819 -15.396 1.00 0.00 O ATOM 671 CB ARG A 39 30.899 15.373 -14.486 1.00 0.00 C ATOM 672 CG ARG A 39 30.275 16.113 -13.314 1.00 0.00 C ATOM 673 CD ARG A 39 30.984 17.431 -13.045 1.00 0.00 C ATOM 674 NE ARG A 39 30.075 18.570 -13.136 1.00 0.00 N ATOM 675 CZ ARG A 39 29.739 19.153 -14.282 1.00 0.00 C ATOM 676 NH1 ARG A 39 30.235 18.705 -15.427 1.00 0.00 N ATOM 677 NH2 ARG A 39 28.906 20.185 -14.283 1.00 0.00 N ATOM 0 H ARG A 39 31.580 13.970 -16.392 1.00 0.00 H new ATOM 0 HA ARG A 39 29.340 13.910 -14.711 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.641 14.670 -14.107 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.429 16.088 -15.115 1.00 0.00 H new ATOM 0 HG2 ARG A 39 29.221 16.301 -13.521 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.318 15.487 -12.423 1.00 0.00 H new ATOM 0 HD2 ARG A 39 31.434 17.405 -12.052 1.00 0.00 H new ATOM 0 HD3 ARG A 39 31.797 17.558 -13.760 1.00 0.00 H new ATOM 0 HE ARG A 39 29.676 18.938 -12.273 1.00 0.00 H new ATOM 0 HH11 ARG A 39 30.876 17.911 -15.429 1.00 0.00 H new ATOM 0 HH12 ARG A 39 29.976 19.154 -16.305 1.00 0.00 H new ATOM 0 HH21 ARG A 39 28.523 20.532 -13.404 1.00 0.00 H new ATOM 0 HH22 ARG A 39 28.649 20.632 -15.163 1.00 0.00 H new ATOM 691 N GLN A 40 29.245 16.162 -17.095 1.00 0.00 N ATOM 692 CA GLN A 40 28.379 17.116 -17.779 1.00 0.00 C ATOM 693 C GLN A 40 27.124 16.429 -18.308 1.00 0.00 C ATOM 694 O GLN A 40 26.035 17.000 -18.283 1.00 0.00 O ATOM 695 CB GLN A 40 29.131 17.787 -18.929 1.00 0.00 C ATOM 696 CG GLN A 40 28.303 18.818 -19.678 1.00 0.00 C ATOM 697 CD GLN A 40 29.054 19.435 -20.842 1.00 0.00 C ATOM 698 OE1 GLN A 40 29.065 18.892 -21.947 1.00 0.00 O ATOM 699 NE2 GLN A 40 29.686 20.578 -20.599 1.00 0.00 N ATOM 0 H GLN A 40 30.131 15.982 -17.567 1.00 0.00 H new ATOM 0 HA GLN A 40 28.079 17.877 -17.059 1.00 0.00 H new ATOM 0 HB2 GLN A 40 30.026 18.269 -18.535 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.464 17.022 -19.630 1.00 0.00 H new ATOM 0 HG2 GLN A 40 27.391 18.348 -20.047 1.00 0.00 H new ATOM 0 HG3 GLN A 40 27.999 19.605 -18.988 1.00 0.00 H new ATOM 0 HE21 GLN A 40 29.650 20.993 -19.668 1.00 0.00 H new ATOM 0 HE22 GLN A 40 30.207 21.041 -21.344 1.00 0.00 H new ATOM 708 N GLU A 41 27.286 15.200 -18.788 1.00 0.00 N ATOM 709 CA GLU A 41 26.166 14.436 -19.325 1.00 0.00 C ATOM 710 C GLU A 41 25.242 13.965 -18.205 1.00 0.00 C ATOM 711 O GLU A 41 24.024 13.915 -18.372 1.00 0.00 O ATOM 712 CB GLU A 41 26.675 13.232 -20.121 1.00 0.00 C ATOM 713 CG GLU A 41 27.931 13.521 -20.925 1.00 0.00 C ATOM 714 CD GLU A 41 27.798 14.759 -21.791 1.00 0.00 C ATOM 715 OE1 GLU A 41 27.050 14.705 -22.790 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.441 15.780 -21.471 1.00 0.00 O ATOM 0 H GLU A 41 28.181 14.712 -18.816 1.00 0.00 H new ATOM 0 HA GLU A 41 25.600 15.089 -19.990 1.00 0.00 H new ATOM 0 HB2 GLU A 41 26.875 12.411 -19.433 1.00 0.00 H new ATOM 0 HB3 GLU A 41 25.890 12.896 -20.798 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.773 13.647 -20.244 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.159 12.663 -21.557 1.00 0.00 H new ATOM 723 N MET A 42 25.832 13.621 -17.065 1.00 0.00 N ATOM 724 CA MET A 42 25.062 13.155 -15.918 1.00 0.00 C ATOM 725 C MET A 42 24.365 14.320 -15.221 1.00 0.00 C ATOM 726 O MET A 42 23.180 14.244 -14.899 1.00 0.00 O ATOM 727 CB MET A 42 25.972 12.425 -14.929 1.00 0.00 C ATOM 728 CG MET A 42 26.072 10.930 -15.185 1.00 0.00 C ATOM 729 SD MET A 42 27.726 10.422 -15.695 1.00 0.00 S ATOM 730 CE MET A 42 28.662 10.775 -14.209 1.00 0.00 C ATOM 0 H MET A 42 26.840 13.656 -16.911 1.00 0.00 H new ATOM 0 HA MET A 42 24.301 12.463 -16.280 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.970 12.861 -14.976 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.600 12.588 -13.917 1.00 0.00 H new ATOM 0 HG2 MET A 42 25.793 10.391 -14.280 1.00 0.00 H new ATOM 0 HG3 MET A 42 25.356 10.649 -15.957 1.00 0.00 H new ATOM 0 HE1 MET A 42 29.597 11.267 -14.476 1.00 0.00 H new ATOM 0 HE2 MET A 42 28.080 11.429 -13.560 1.00 0.00 H new ATOM 0 HE3 MET A 42 28.879 9.844 -13.686 1.00 0.00 H new ATOM 740 N VAL A 43 25.109 15.397 -14.992 1.00 0.00 N ATOM 741 CA VAL A 43 24.563 16.578 -14.334 1.00 0.00 C ATOM 742 C VAL A 43 23.470 17.222 -15.180 1.00 0.00 C ATOM 743 O VAL A 43 22.462 17.693 -14.654 1.00 0.00 O ATOM 744 CB VAL A 43 25.660 17.621 -14.051 1.00 0.00 C ATOM 745 CG1 VAL A 43 26.190 18.204 -15.352 1.00 0.00 C ATOM 746 CG2 VAL A 43 25.129 18.719 -13.143 1.00 0.00 C ATOM 0 H VAL A 43 26.092 15.476 -15.253 1.00 0.00 H new ATOM 0 HA VAL A 43 24.137 16.245 -13.388 1.00 0.00 H new ATOM 0 HB VAL A 43 26.485 17.126 -13.540 1.00 0.00 H new ATOM 0 HG11 VAL A 43 26.964 18.939 -15.133 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.610 17.406 -15.964 1.00 0.00 H new ATOM 0 HG13 VAL A 43 25.376 18.685 -15.893 1.00 0.00 H new ATOM 0 HG21 VAL A 43 25.917 19.447 -12.953 1.00 0.00 H new ATOM 0 HG22 VAL A 43 24.286 19.214 -13.625 1.00 0.00 H new ATOM 0 HG23 VAL A 43 24.802 18.284 -12.199 1.00 0.00 H new ATOM 756 N GLN A 44 23.678 17.238 -16.493 1.00 0.00 N ATOM 757 CA GLN A 44 22.710 17.824 -17.411 1.00 0.00 C ATOM 758 C GLN A 44 21.505 16.907 -17.591 1.00 0.00 C ATOM 759 O GLN A 44 20.374 17.373 -17.738 1.00 0.00 O ATOM 760 CB GLN A 44 23.363 18.099 -18.767 1.00 0.00 C ATOM 761 CG GLN A 44 23.501 16.861 -19.638 1.00 0.00 C ATOM 762 CD GLN A 44 22.260 16.587 -20.464 1.00 0.00 C ATOM 763 OE1 GLN A 44 21.484 17.496 -20.760 1.00 0.00 O ATOM 764 NE2 GLN A 44 22.065 15.329 -20.841 1.00 0.00 N ATOM 0 H GLN A 44 24.508 16.852 -16.944 1.00 0.00 H new ATOM 0 HA GLN A 44 22.366 18.766 -16.983 1.00 0.00 H new ATOM 0 HB2 GLN A 44 22.773 18.844 -19.300 1.00 0.00 H new ATOM 0 HB3 GLN A 44 24.351 18.531 -18.604 1.00 0.00 H new ATOM 0 HG2 GLN A 44 24.356 16.983 -20.303 1.00 0.00 H new ATOM 0 HG3 GLN A 44 23.710 15.998 -19.006 1.00 0.00 H new ATOM 0 HE21 GLN A 44 22.734 14.607 -20.573 1.00 0.00 H new ATOM 0 HE22 GLN A 44 21.246 15.085 -21.398 1.00 0.00 H new ATOM 773 N ARG A 45 21.754 15.602 -17.579 1.00 0.00 N ATOM 774 CA ARG A 45 20.689 14.619 -17.743 1.00 0.00 C ATOM 775 C ARG A 45 19.924 14.425 -16.437 1.00 0.00 C ATOM 776 O ARG A 45 18.814 13.894 -16.430 1.00 0.00 O ATOM 777 CB ARG A 45 21.267 13.283 -18.212 1.00 0.00 C ATOM 778 CG ARG A 45 20.218 12.200 -18.405 1.00 0.00 C ATOM 779 CD ARG A 45 20.836 10.913 -18.928 1.00 0.00 C ATOM 780 NE ARG A 45 19.964 9.761 -18.714 1.00 0.00 N ATOM 781 CZ ARG A 45 20.115 8.599 -19.340 1.00 0.00 C ATOM 782 NH1 ARG A 45 21.100 8.435 -20.212 1.00 0.00 N ATOM 783 NH2 ARG A 45 19.281 7.597 -19.092 1.00 0.00 N ATOM 0 H ARG A 45 22.684 15.200 -17.457 1.00 0.00 H new ATOM 0 HA ARG A 45 19.997 14.992 -18.498 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.796 13.436 -19.152 1.00 0.00 H new ATOM 0 HB3 ARG A 45 22.002 12.939 -17.484 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.716 12.005 -17.457 1.00 0.00 H new ATOM 0 HG3 ARG A 45 19.457 12.549 -19.103 1.00 0.00 H new ATOM 0 HD2 ARG A 45 21.044 11.017 -19.993 1.00 0.00 H new ATOM 0 HD3 ARG A 45 21.791 10.742 -18.432 1.00 0.00 H new ATOM 0 HE ARG A 45 19.197 9.854 -18.048 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.744 9.202 -20.404 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.214 7.542 -20.691 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.523 7.719 -18.420 1.00 0.00 H new ATOM 0 HH22 ARG A 45 19.398 6.705 -19.573 1.00 0.00 H new ATOM 797 N ALA A 46 20.526 14.857 -15.334 1.00 0.00 N ATOM 798 CA ALA A 46 19.901 14.732 -14.023 1.00 0.00 C ATOM 799 C ALA A 46 19.125 15.994 -13.662 1.00 0.00 C ATOM 800 O ALA A 46 18.028 15.923 -13.110 1.00 0.00 O ATOM 801 CB ALA A 46 20.952 14.435 -12.964 1.00 0.00 C ATOM 0 H ALA A 46 21.446 15.297 -15.322 1.00 0.00 H new ATOM 0 HA ALA A 46 19.195 13.902 -14.062 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.471 14.344 -11.990 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.459 13.501 -13.207 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.679 15.246 -12.936 1.00 0.00 H new ATOM 807 N ASN A 47 19.702 17.149 -13.978 1.00 0.00 N ATOM 808 CA ASN A 47 19.065 18.427 -13.686 1.00 0.00 C ATOM 809 C ASN A 47 18.339 18.967 -14.914 1.00 0.00 C ATOM 810 O ASN A 47 17.186 19.388 -14.832 1.00 0.00 O ATOM 811 CB ASN A 47 20.105 19.443 -13.208 1.00 0.00 C ATOM 812 CG ASN A 47 19.802 20.849 -13.686 1.00 0.00 C ATOM 813 OD1 ASN A 47 20.659 21.377 -14.552 1.00 0.00 O flip ATOM 814 ND2 ASN A 47 18.809 21.454 -13.281 1.00 0.00 N flip ATOM 0 H ASN A 47 20.610 17.226 -14.436 1.00 0.00 H new ATOM 0 HA ASN A 47 18.333 18.266 -12.894 1.00 0.00 H new ATOM 0 HB2 ASN A 47 20.145 19.433 -12.119 1.00 0.00 H new ATOM 0 HB3 ASN A 47 21.091 19.145 -13.565 1.00 0.00 H new ATOM 0 HD21 ASN A 47 18.177 21.009 -12.615 1.00 0.00 H new ATOM 0 HD22 ASN A 47 18.618 22.400 -13.611 1.00 0.00 H new ATOM 821 N GLY A 48 19.023 18.950 -16.054 1.00 0.00 N ATOM 822 CA GLY A 48 18.427 19.439 -17.284 1.00 0.00 C ATOM 823 C GLY A 48 19.375 20.315 -18.079 1.00 0.00 C ATOM 824 O GLY A 48 19.290 20.380 -19.305 1.00 0.00 O ATOM 0 H GLY A 48 19.979 18.607 -16.148 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.120 18.592 -17.897 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.526 20.005 -17.048 1.00 0.00 H new ATOM 828 N ARG A 49 20.280 20.992 -17.379 1.00 0.00 N ATOM 829 CA ARG A 49 21.245 21.871 -18.027 1.00 0.00 C ATOM 830 C ARG A 49 22.200 22.479 -17.003 1.00 0.00 C ATOM 831 O ARG A 49 21.869 23.457 -16.335 1.00 0.00 O ATOM 832 CB ARG A 49 20.523 22.984 -18.790 1.00 0.00 C ATOM 833 CG ARG A 49 21.456 24.049 -19.342 1.00 0.00 C ATOM 834 CD ARG A 49 22.371 23.485 -20.418 1.00 0.00 C ATOM 835 NE ARG A 49 22.870 24.525 -21.313 1.00 0.00 N ATOM 836 CZ ARG A 49 23.672 24.285 -22.344 1.00 0.00 C ATOM 837 NH1 ARG A 49 24.064 23.047 -22.609 1.00 0.00 N ATOM 838 NH2 ARG A 49 24.084 25.286 -23.112 1.00 0.00 N ATOM 0 H ARG A 49 20.365 20.948 -16.363 1.00 0.00 H new ATOM 0 HA ARG A 49 21.825 21.275 -18.731 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.961 22.543 -19.614 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.798 23.456 -18.127 1.00 0.00 H new ATOM 0 HG2 ARG A 49 20.869 24.869 -19.755 1.00 0.00 H new ATOM 0 HG3 ARG A 49 22.057 24.463 -18.532 1.00 0.00 H new ATOM 0 HD2 ARG A 49 23.213 22.977 -19.948 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.830 22.737 -20.998 1.00 0.00 H new ATOM 0 HE ARG A 49 22.587 25.489 -21.137 1.00 0.00 H new ATOM 0 HH11 ARG A 49 23.750 22.276 -22.020 1.00 0.00 H new ATOM 0 HH12 ARG A 49 24.680 22.866 -23.402 1.00 0.00 H new ATOM 0 HH21 ARG A 49 23.785 26.240 -22.910 1.00 0.00 H new ATOM 0 HH22 ARG A 49 24.700 25.101 -23.904 1.00 0.00 H new ATOM 852 N ASN A 50 23.386 21.891 -16.887 1.00 0.00 N ATOM 853 CA ASN A 50 24.389 22.374 -15.944 1.00 0.00 C ATOM 854 C ASN A 50 25.793 22.236 -16.525 1.00 0.00 C ATOM 855 O ASN A 50 26.063 21.335 -17.320 1.00 0.00 O ATOM 856 CB ASN A 50 24.293 21.602 -14.626 1.00 0.00 C ATOM 857 CG ASN A 50 24.268 22.520 -13.419 1.00 0.00 C ATOM 858 OD1 ASN A 50 23.741 23.631 -13.481 1.00 0.00 O ATOM 859 ND2 ASN A 50 24.841 22.059 -12.313 1.00 0.00 N ATOM 0 H ASN A 50 23.676 21.080 -17.433 1.00 0.00 H new ATOM 0 HA ASN A 50 24.195 23.430 -15.755 1.00 0.00 H new ATOM 0 HB2 ASN A 50 23.392 20.989 -14.632 1.00 0.00 H new ATOM 0 HB3 ASN A 50 25.141 20.921 -14.544 1.00 0.00 H new ATOM 0 HD21 ASN A 50 24.856 22.632 -11.469 1.00 0.00 H new ATOM 0 HD22 ASN A 50 25.266 21.132 -12.307 1.00 0.00 H new ATOM 866 N THR A 51 26.685 23.136 -16.122 1.00 0.00 N ATOM 867 CA THR A 51 28.061 23.117 -16.603 1.00 0.00 C ATOM 868 C THR A 51 29.037 23.478 -15.489 1.00 0.00 C ATOM 869 O THR A 51 30.086 24.073 -15.738 1.00 0.00 O ATOM 870 CB THR A 51 28.259 24.090 -17.780 1.00 0.00 C ATOM 871 OG1 THR A 51 29.586 23.964 -18.302 1.00 0.00 O ATOM 872 CG2 THR A 51 28.015 25.526 -17.341 1.00 0.00 C ATOM 0 H THR A 51 26.479 23.887 -15.464 1.00 0.00 H new ATOM 0 HA THR A 51 28.263 22.102 -16.944 1.00 0.00 H new ATOM 0 HB THR A 51 27.538 23.837 -18.558 1.00 0.00 H new ATOM 0 HG1 THR A 51 30.228 23.944 -17.562 1.00 0.00 H new ATOM 0 HG21 THR A 51 28.161 26.195 -18.189 1.00 0.00 H new ATOM 0 HG22 THR A 51 26.994 25.625 -16.972 1.00 0.00 H new ATOM 0 HG23 THR A 51 28.715 25.788 -16.548 1.00 0.00 H new ATOM 880 N PHE A 52 28.686 23.115 -14.260 1.00 0.00 N ATOM 881 CA PHE A 52 29.532 23.401 -13.107 1.00 0.00 C ATOM 882 C PHE A 52 29.337 22.353 -12.016 1.00 0.00 C ATOM 883 O PHE A 52 28.288 21.717 -11.911 1.00 0.00 O ATOM 884 CB PHE A 52 29.223 24.794 -12.554 1.00 0.00 C ATOM 885 CG PHE A 52 29.815 25.907 -13.370 1.00 0.00 C ATOM 886 CD1 PHE A 52 31.090 26.379 -13.100 1.00 0.00 C ATOM 887 CD2 PHE A 52 29.097 26.482 -14.406 1.00 0.00 C ATOM 888 CE1 PHE A 52 31.637 27.404 -13.848 1.00 0.00 C ATOM 889 CE2 PHE A 52 29.639 27.508 -15.158 1.00 0.00 C ATOM 890 CZ PHE A 52 30.911 27.969 -14.879 1.00 0.00 C ATOM 0 H PHE A 52 27.821 22.622 -14.037 1.00 0.00 H new ATOM 0 HA PHE A 52 30.571 23.370 -13.434 1.00 0.00 H new ATOM 0 HB2 PHE A 52 28.142 24.925 -12.505 1.00 0.00 H new ATOM 0 HB3 PHE A 52 29.599 24.863 -11.533 1.00 0.00 H new ATOM 0 HD1 PHE A 52 31.662 25.941 -12.296 1.00 0.00 H new ATOM 0 HD2 PHE A 52 28.102 26.125 -14.629 1.00 0.00 H new ATOM 0 HE1 PHE A 52 32.631 27.763 -13.627 1.00 0.00 H new ATOM 0 HE2 PHE A 52 29.069 27.948 -15.962 1.00 0.00 H new ATOM 0 HZ PHE A 52 31.337 28.769 -15.466 1.00 0.00 H new ATOM 900 N PRO A 53 30.371 22.168 -11.182 1.00 0.00 N ATOM 901 CA PRO A 53 30.339 21.198 -10.083 1.00 0.00 C ATOM 902 C PRO A 53 29.388 21.618 -8.967 1.00 0.00 C ATOM 903 O PRO A 53 29.253 22.805 -8.670 1.00 0.00 O ATOM 904 CB PRO A 53 31.784 21.185 -9.578 1.00 0.00 C ATOM 905 CG PRO A 53 32.329 22.518 -9.958 1.00 0.00 C ATOM 906 CD PRO A 53 31.652 22.891 -11.248 1.00 0.00 C ATOM 0 HA PRO A 53 29.979 20.223 -10.411 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.825 21.033 -8.499 1.00 0.00 H new ATOM 0 HB3 PRO A 53 32.356 20.378 -10.036 1.00 0.00 H new ATOM 0 HG2 PRO A 53 32.126 23.257 -9.183 1.00 0.00 H new ATOM 0 HG3 PRO A 53 33.411 22.476 -10.083 1.00 0.00 H new ATOM 0 HD2 PRO A 53 31.502 23.968 -11.327 1.00 0.00 H new ATOM 0 HD3 PRO A 53 32.241 22.587 -12.113 1.00 0.00 H new ATOM 914 N GLN A 54 28.733 20.638 -8.354 1.00 0.00 N ATOM 915 CA GLN A 54 27.795 20.908 -7.270 1.00 0.00 C ATOM 916 C GLN A 54 27.284 19.609 -6.657 1.00 0.00 C ATOM 917 O GLN A 54 27.626 18.518 -7.114 1.00 0.00 O ATOM 918 CB GLN A 54 26.620 21.742 -7.781 1.00 0.00 C ATOM 919 CG GLN A 54 25.706 20.987 -8.733 1.00 0.00 C ATOM 920 CD GLN A 54 24.501 20.388 -8.033 1.00 0.00 C ATOM 921 OE1 GLN A 54 23.758 21.088 -7.344 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.302 19.087 -8.206 1.00 0.00 N ATOM 0 H GLN A 54 28.834 19.651 -8.589 1.00 0.00 H new ATOM 0 HA GLN A 54 28.321 21.470 -6.498 1.00 0.00 H new ATOM 0 HB2 GLN A 54 26.036 22.091 -6.930 1.00 0.00 H new ATOM 0 HB3 GLN A 54 27.006 22.627 -8.287 1.00 0.00 H new ATOM 0 HG2 GLN A 54 25.367 21.663 -9.518 1.00 0.00 H new ATOM 0 HG3 GLN A 54 26.271 20.192 -9.220 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.943 18.546 -8.786 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.508 18.629 -7.759 1.00 0.00 H new ATOM 931 N ILE A 55 26.463 19.733 -5.619 1.00 0.00 N ATOM 932 CA ILE A 55 25.904 18.569 -4.944 1.00 0.00 C ATOM 933 C ILE A 55 24.458 18.330 -5.365 1.00 0.00 C ATOM 934 O ILE A 55 23.629 19.240 -5.319 1.00 0.00 O ATOM 935 CB ILE A 55 25.962 18.724 -3.413 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.413 18.859 -2.946 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.290 17.540 -2.734 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.944 20.273 -3.022 1.00 0.00 C ATOM 0 H ILE A 55 26.171 20.628 -5.228 1.00 0.00 H new ATOM 0 HA ILE A 55 26.511 17.713 -5.238 1.00 0.00 H new ATOM 0 HB ILE A 55 25.425 19.631 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.489 18.506 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 55 28.043 18.210 -3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.339 17.665 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.247 17.486 -3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.801 16.620 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.977 20.293 -2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.900 20.623 -4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 55 27.338 20.924 -2.392 1.00 0.00 H new ATOM 950 N PHE A 56 24.162 17.101 -5.773 1.00 0.00 N ATOM 951 CA PHE A 56 22.815 16.742 -6.202 1.00 0.00 C ATOM 952 C PHE A 56 22.136 15.847 -5.170 1.00 0.00 C ATOM 953 O PHE A 56 22.787 15.033 -4.515 1.00 0.00 O ATOM 954 CB PHE A 56 22.860 16.034 -7.558 1.00 0.00 C ATOM 955 CG PHE A 56 21.842 16.545 -8.536 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.496 16.270 -8.362 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.232 17.302 -9.630 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.557 16.740 -9.262 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.298 17.774 -10.532 1.00 0.00 C ATOM 960 CZ PHE A 56 19.958 17.494 -10.347 1.00 0.00 C ATOM 0 H PHE A 56 24.836 16.337 -5.816 1.00 0.00 H new ATOM 0 HA PHE A 56 22.235 17.660 -6.299 1.00 0.00 H new ATOM 0 HB2 PHE A 56 23.855 16.152 -7.987 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.702 14.966 -7.407 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.176 15.682 -7.514 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.278 17.525 -9.779 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.510 16.517 -9.116 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.615 18.361 -11.381 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.226 17.864 -11.049 1.00 0.00 H new ATOM 970 N ILE A 57 20.824 16.004 -5.031 1.00 0.00 N ATOM 971 CA ILE A 57 20.057 15.210 -4.080 1.00 0.00 C ATOM 972 C ILE A 57 18.779 14.673 -4.716 1.00 0.00 C ATOM 973 O ILE A 57 17.740 15.333 -4.700 1.00 0.00 O ATOM 974 CB ILE A 57 19.689 16.030 -2.829 1.00 0.00 C ATOM 975 CG1 ILE A 57 20.953 16.568 -2.155 1.00 0.00 C ATOM 976 CG2 ILE A 57 18.884 15.181 -1.857 1.00 0.00 C ATOM 977 CD1 ILE A 57 20.671 17.440 -0.952 1.00 0.00 C ATOM 0 H ILE A 57 20.270 16.674 -5.565 1.00 0.00 H new ATOM 0 HA ILE A 57 20.691 14.375 -3.783 1.00 0.00 H new ATOM 0 HB ILE A 57 19.075 16.877 -3.135 1.00 0.00 H new ATOM 0 HG12 ILE A 57 21.576 15.729 -1.847 1.00 0.00 H new ATOM 0 HG13 ILE A 57 21.527 17.141 -2.883 1.00 0.00 H new ATOM 0 HG21 ILE A 57 18.632 15.774 -0.978 1.00 0.00 H new ATOM 0 HG22 ILE A 57 17.968 14.843 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 57 19.475 14.317 -1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 57 21.612 17.786 -0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 57 20.074 18.299 -1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 57 20.124 16.864 -0.206 1.00 0.00 H new ATOM 989 N GLY A 58 18.863 13.470 -5.276 1.00 0.00 N ATOM 990 CA GLY A 58 17.706 12.864 -5.908 1.00 0.00 C ATOM 991 C GLY A 58 17.123 13.733 -7.005 1.00 0.00 C ATOM 992 O GLY A 58 17.612 13.730 -8.134 1.00 0.00 O ATOM 0 H GLY A 58 19.712 12.905 -5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.989 11.898 -6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.942 12.674 -5.154 1.00 0.00 H new ATOM 996 N ASP A 59 16.074 14.477 -6.672 1.00 0.00 N ATOM 997 CA ASP A 59 15.422 15.355 -7.638 1.00 0.00 C ATOM 998 C ASP A 59 15.566 16.817 -7.227 1.00 0.00 C ATOM 999 O ASP A 59 14.706 17.644 -7.529 1.00 0.00 O ATOM 1000 CB ASP A 59 13.942 14.992 -7.771 1.00 0.00 C ATOM 1001 CG ASP A 59 13.735 13.623 -8.387 1.00 0.00 C ATOM 1002 OD1 ASP A 59 14.181 13.414 -9.535 1.00 0.00 O ATOM 1003 OD2 ASP A 59 13.127 12.759 -7.721 1.00 0.00 O ATOM 0 H ASP A 59 15.657 14.490 -5.741 1.00 0.00 H new ATOM 0 HA ASP A 59 15.909 15.219 -8.603 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.474 15.019 -6.787 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.440 15.742 -8.383 1.00 0.00 H new ATOM 1008 N TYR A 60 16.657 17.127 -6.535 1.00 0.00 N ATOM 1009 CA TYR A 60 16.911 18.488 -6.079 1.00 0.00 C ATOM 1010 C TYR A 60 18.409 18.772 -6.021 1.00 0.00 C ATOM 1011 O TYR A 60 19.151 18.107 -5.297 1.00 0.00 O ATOM 1012 CB TYR A 60 16.284 18.713 -4.702 1.00 0.00 C ATOM 1013 CG TYR A 60 16.797 19.948 -3.997 1.00 0.00 C ATOM 1014 CD1 TYR A 60 16.275 21.203 -4.285 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.804 19.860 -3.043 1.00 0.00 C ATOM 1016 CE1 TYR A 60 16.741 22.335 -3.644 1.00 0.00 C ATOM 1017 CE2 TYR A 60 18.275 20.986 -2.396 1.00 0.00 C ATOM 1018 CZ TYR A 60 17.741 22.221 -2.700 1.00 0.00 C ATOM 1019 OH TYR A 60 18.207 23.346 -2.059 1.00 0.00 O ATOM 0 H TYR A 60 17.379 16.454 -6.278 1.00 0.00 H new ATOM 0 HA TYR A 60 16.457 19.174 -6.794 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.203 18.791 -4.813 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.478 17.841 -4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.492 21.295 -5.023 1.00 0.00 H new ATOM 0 HD2 TYR A 60 18.225 18.895 -2.803 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.325 23.303 -3.880 1.00 0.00 H new ATOM 0 HE2 TYR A 60 19.057 20.900 -1.656 1.00 0.00 H new ATOM 0 HH TYR A 60 17.487 24.008 -1.995 1.00 0.00 H new ATOM 1029 N HIS A 61 18.847 19.765 -6.788 1.00 0.00 N ATOM 1030 CA HIS A 61 20.256 20.140 -6.824 1.00 0.00 C ATOM 1031 C HIS A 61 20.546 21.260 -5.829 1.00 0.00 C ATOM 1032 O HIS A 61 19.982 22.350 -5.925 1.00 0.00 O ATOM 1033 CB HIS A 61 20.653 20.579 -8.234 1.00 0.00 C ATOM 1034 CG HIS A 61 19.701 21.558 -8.847 1.00 0.00 C ATOM 1035 ND1 HIS A 61 18.567 21.177 -9.533 1.00 0.00 N ATOM 1036 CD2 HIS A 61 19.717 22.912 -8.873 1.00 0.00 C ATOM 1037 CE1 HIS A 61 17.928 22.253 -9.956 1.00 0.00 C ATOM 1038 NE2 HIS A 61 18.605 23.319 -9.568 1.00 0.00 N ATOM 0 H HIS A 61 18.246 20.325 -7.393 1.00 0.00 H new ATOM 0 HA HIS A 61 20.846 19.267 -6.544 1.00 0.00 H new ATOM 0 HB2 HIS A 61 21.647 21.024 -8.200 1.00 0.00 H new ATOM 0 HB3 HIS A 61 20.719 19.699 -8.874 1.00 0.00 H new ATOM 0 HD2 HIS A 61 20.465 23.552 -8.430 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.009 22.260 -10.523 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.344 24.287 -9.754 1.00 0.00 H new ATOM 1046 N VAL A 62 21.428 20.983 -4.874 1.00 0.00 N ATOM 1047 CA VAL A 62 21.793 21.967 -3.862 1.00 0.00 C ATOM 1048 C VAL A 62 22.629 23.091 -4.464 1.00 0.00 C ATOM 1049 O VAL A 62 22.140 24.200 -4.671 1.00 0.00 O ATOM 1050 CB VAL A 62 22.579 21.319 -2.707 1.00 0.00 C ATOM 1051 CG1 VAL A 62 23.020 22.374 -1.703 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.741 20.245 -2.030 1.00 0.00 C ATOM 0 H VAL A 62 21.903 20.085 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 62 20.863 22.380 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 62 23.472 20.847 -3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.574 21.897 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.659 23.104 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 62 22.143 22.877 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 62 22.312 19.797 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.830 20.692 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.480 19.475 -2.756 1.00 0.00 H new ATOM 1062 N GLY A 63 23.895 22.794 -4.743 1.00 0.00 N ATOM 1063 CA GLY A 63 24.780 23.789 -5.319 1.00 0.00 C ATOM 1064 C GLY A 63 26.154 23.785 -4.677 1.00 0.00 C ATOM 1065 O GLY A 63 27.162 23.587 -5.354 1.00 0.00 O ATOM 0 H GLY A 63 24.323 21.882 -4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 63 24.882 23.605 -6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.333 24.777 -5.207 1.00 0.00 H new ATOM 1069 N GLY A 64 26.194 24.005 -3.367 1.00 0.00 N ATOM 1070 CA GLY A 64 27.459 24.024 -2.656 1.00 0.00 C ATOM 1071 C GLY A 64 27.525 22.976 -1.563 1.00 0.00 C ATOM 1072 O GLY A 64 26.533 22.304 -1.276 1.00 0.00 O ATOM 0 H GLY A 64 25.373 24.170 -2.785 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.272 23.859 -3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.612 25.011 -2.219 1.00 0.00 H new ATOM 1076 N CYS A 65 28.695 22.834 -0.951 1.00 0.00 N ATOM 1077 CA CYS A 65 28.888 21.858 0.116 1.00 0.00 C ATOM 1078 C CYS A 65 28.194 22.310 1.397 1.00 0.00 C ATOM 1079 O CYS A 65 27.235 21.685 1.849 1.00 0.00 O ATOM 1080 CB CYS A 65 30.379 21.644 0.377 1.00 0.00 C ATOM 1081 SG CYS A 65 31.331 21.207 -1.097 1.00 0.00 S ATOM 0 H CYS A 65 29.525 23.383 -1.175 1.00 0.00 H new ATOM 0 HA CYS A 65 28.444 20.915 -0.203 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.796 22.554 0.809 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.497 20.855 1.120 1.00 0.00 H new ATOM 0 HG CYS A 65 32.581 21.049 -0.775 1.00 0.00 H new ATOM 1087 N ASP A 66 28.688 23.398 1.978 1.00 0.00 N ATOM 1088 CA ASP A 66 28.116 23.933 3.208 1.00 0.00 C ATOM 1089 C ASP A 66 26.619 24.177 3.051 1.00 0.00 C ATOM 1090 O ASP A 66 25.871 24.160 4.029 1.00 0.00 O ATOM 1091 CB ASP A 66 28.819 25.235 3.598 1.00 0.00 C ATOM 1092 CG ASP A 66 30.056 24.994 4.442 1.00 0.00 C ATOM 1093 OD1 ASP A 66 31.051 24.472 3.899 1.00 0.00 O ATOM 1094 OD2 ASP A 66 30.028 25.328 5.645 1.00 0.00 O ATOM 0 H ASP A 66 29.483 23.926 1.617 1.00 0.00 H new ATOM 0 HA ASP A 66 28.265 23.197 3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 66 29.099 25.778 2.695 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.124 25.869 4.149 1.00 0.00 H new ATOM 1099 N ASP A 67 26.188 24.405 1.815 1.00 0.00 N ATOM 1100 CA ASP A 67 24.780 24.652 1.529 1.00 0.00 C ATOM 1101 C ASP A 67 23.905 23.548 2.114 1.00 0.00 C ATOM 1102 O ASP A 67 22.893 23.820 2.761 1.00 0.00 O ATOM 1103 CB ASP A 67 24.554 24.753 0.019 1.00 0.00 C ATOM 1104 CG ASP A 67 23.130 25.141 -0.328 1.00 0.00 C ATOM 1105 OD1 ASP A 67 22.316 25.308 0.604 1.00 0.00 O ATOM 1106 OD2 ASP A 67 22.830 25.278 -1.532 1.00 0.00 O ATOM 0 H ASP A 67 26.794 24.424 0.995 1.00 0.00 H new ATOM 0 HA ASP A 67 24.501 25.597 1.994 1.00 0.00 H new ATOM 0 HB2 ASP A 67 25.240 25.489 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 67 24.790 23.796 -0.446 1.00 0.00 H new ATOM 1111 N LEU A 68 24.300 22.301 1.881 1.00 0.00 N ATOM 1112 CA LEU A 68 23.551 21.155 2.384 1.00 0.00 C ATOM 1113 C LEU A 68 23.484 21.174 3.908 1.00 0.00 C ATOM 1114 O LEU A 68 22.465 20.819 4.499 1.00 0.00 O ATOM 1115 CB LEU A 68 24.194 19.851 1.907 1.00 0.00 C ATOM 1116 CG LEU A 68 25.432 19.392 2.678 1.00 0.00 C ATOM 1117 CD1 LEU A 68 25.034 18.505 3.848 1.00 0.00 C ATOM 1118 CD2 LEU A 68 26.395 18.660 1.755 1.00 0.00 C ATOM 0 H LEU A 68 25.134 22.058 1.347 1.00 0.00 H new ATOM 0 HA LEU A 68 22.535 21.217 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 68 23.445 19.060 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.466 19.966 0.858 1.00 0.00 H new ATOM 0 HG LEU A 68 25.938 20.273 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.928 18.188 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.384 19.062 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.504 17.628 3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 68 27.270 18.341 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.899 17.787 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.707 19.327 0.951 1.00 0.00 H new ATOM 1130 N TYR A 69 24.577 21.593 4.537 1.00 0.00 N ATOM 1131 CA TYR A 69 24.642 21.659 5.993 1.00 0.00 C ATOM 1132 C TYR A 69 23.690 22.720 6.534 1.00 0.00 C ATOM 1133 O TYR A 69 22.887 22.452 7.427 1.00 0.00 O ATOM 1134 CB TYR A 69 26.072 21.961 6.446 1.00 0.00 C ATOM 1135 CG TYR A 69 26.696 20.851 7.262 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.173 19.698 6.652 1.00 0.00 C ATOM 1137 CD2 TYR A 69 26.808 20.956 8.643 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.744 18.681 7.393 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.378 19.945 9.392 1.00 0.00 C ATOM 1140 CZ TYR A 69 27.844 18.810 8.763 1.00 0.00 C ATOM 1141 OH TYR A 69 28.413 17.800 9.504 1.00 0.00 O ATOM 0 H TYR A 69 25.429 21.892 4.062 1.00 0.00 H new ATOM 0 HA TYR A 69 24.339 20.690 6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.691 22.147 5.568 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.071 22.878 7.036 1.00 0.00 H new ATOM 0 HD1 TYR A 69 27.096 19.594 5.580 1.00 0.00 H new ATOM 0 HD2 TYR A 69 26.443 21.843 9.139 1.00 0.00 H new ATOM 0 HE1 TYR A 69 28.110 17.791 6.903 1.00 0.00 H new ATOM 0 HE2 TYR A 69 27.458 20.043 10.465 1.00 0.00 H new ATOM 0 HH TYR A 69 28.408 18.047 10.452 1.00 0.00 H new ATOM 1151 N ALA A 70 23.786 23.927 5.985 1.00 0.00 N ATOM 1152 CA ALA A 70 22.932 25.029 6.409 1.00 0.00 C ATOM 1153 C ALA A 70 21.458 24.690 6.212 1.00 0.00 C ATOM 1154 O ALA A 70 20.614 25.034 7.041 1.00 0.00 O ATOM 1155 CB ALA A 70 23.290 26.297 5.649 1.00 0.00 C ATOM 0 H ALA A 70 24.447 24.166 5.246 1.00 0.00 H new ATOM 0 HA ALA A 70 23.100 25.197 7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.644 27.112 5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.330 26.557 5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 70 23.153 26.132 4.580 1.00 0.00 H new ATOM 1161 N LEU A 71 21.154 24.013 5.110 1.00 0.00 N ATOM 1162 CA LEU A 71 19.781 23.627 4.803 1.00 0.00 C ATOM 1163 C LEU A 71 19.249 22.641 5.837 1.00 0.00 C ATOM 1164 O LEU A 71 18.215 22.879 6.460 1.00 0.00 O ATOM 1165 CB LEU A 71 19.705 23.010 3.405 1.00 0.00 C ATOM 1166 CG LEU A 71 19.520 23.992 2.247 1.00 0.00 C ATOM 1167 CD1 LEU A 71 19.533 23.256 0.916 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.226 24.775 2.413 1.00 0.00 C ATOM 0 H LEU A 71 21.840 23.720 4.414 1.00 0.00 H new ATOM 0 HA LEU A 71 19.162 24.524 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 71 20.618 22.441 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.879 22.299 3.388 1.00 0.00 H new ATOM 0 HG LEU A 71 20.351 24.697 2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 71 19.400 23.971 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.486 22.741 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 71 18.722 22.528 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.111 25.469 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.383 24.085 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.256 25.333 3.349 1.00 0.00 H new ATOM 1180 N GLU A 72 19.963 21.534 6.014 1.00 0.00 N ATOM 1181 CA GLU A 72 19.563 20.512 6.974 1.00 0.00 C ATOM 1182 C GLU A 72 19.435 21.103 8.375 1.00 0.00 C ATOM 1183 O GLU A 72 18.663 20.613 9.199 1.00 0.00 O ATOM 1184 CB GLU A 72 20.574 19.364 6.982 1.00 0.00 C ATOM 1185 CG GLU A 72 21.940 19.760 7.517 1.00 0.00 C ATOM 1186 CD GLU A 72 22.777 18.562 7.922 1.00 0.00 C ATOM 1187 OE1 GLU A 72 22.262 17.427 7.854 1.00 0.00 O ATOM 1188 OE2 GLU A 72 23.949 18.761 8.307 1.00 0.00 O ATOM 0 H GLU A 72 20.821 21.322 5.505 1.00 0.00 H new ATOM 0 HA GLU A 72 18.590 20.126 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.179 18.547 7.586 1.00 0.00 H new ATOM 0 HB3 GLU A 72 20.687 18.983 5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 72 22.473 20.330 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.813 20.417 8.377 1.00 0.00 H new ATOM 1195 N ASN A 73 20.200 22.158 8.638 1.00 0.00 N ATOM 1196 CA ASN A 73 20.174 22.815 9.940 1.00 0.00 C ATOM 1197 C ASN A 73 19.066 23.862 9.998 1.00 0.00 C ATOM 1198 O ASN A 73 18.590 24.219 11.076 1.00 0.00 O ATOM 1199 CB ASN A 73 21.526 23.470 10.230 1.00 0.00 C ATOM 1200 CG ASN A 73 21.581 24.093 11.612 1.00 0.00 C ATOM 1201 OD1 ASN A 73 22.003 23.455 12.577 1.00 0.00 O ATOM 1202 ND2 ASN A 73 21.154 25.346 11.713 1.00 0.00 N ATOM 0 H ASN A 73 20.845 22.576 7.967 1.00 0.00 H new ATOM 0 HA ASN A 73 19.974 22.058 10.698 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.315 22.724 10.139 1.00 0.00 H new ATOM 0 HB3 ASN A 73 21.724 24.236 9.481 1.00 0.00 H new ATOM 0 HD21 ASN A 73 21.167 25.818 12.617 1.00 0.00 H new ATOM 0 HD22 ASN A 73 20.813 25.837 10.887 1.00 0.00 H new ATOM 1209 N LYS A 74 18.660 24.351 8.832 1.00 0.00 N ATOM 1210 CA LYS A 74 17.606 25.356 8.748 1.00 0.00 C ATOM 1211 C LYS A 74 16.228 24.706 8.811 1.00 0.00 C ATOM 1212 O LYS A 74 15.240 25.356 9.150 1.00 0.00 O ATOM 1213 CB LYS A 74 17.744 26.162 7.454 1.00 0.00 C ATOM 1214 CG LYS A 74 18.272 27.570 7.667 1.00 0.00 C ATOM 1215 CD LYS A 74 19.606 27.561 8.394 1.00 0.00 C ATOM 1216 CE LYS A 74 20.697 28.219 7.563 1.00 0.00 C ATOM 1217 NZ LYS A 74 22.001 28.248 8.283 1.00 0.00 N ATOM 0 H LYS A 74 19.045 24.068 7.931 1.00 0.00 H new ATOM 0 HA LYS A 74 17.710 26.028 9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 74 18.412 25.632 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.771 26.218 6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.385 28.067 6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.548 28.148 8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.507 28.083 9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.890 26.534 8.622 1.00 0.00 H new ATOM 0 HE2 LYS A 74 20.813 27.679 6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.398 29.237 7.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 22.718 28.704 7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.897 28.785 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.299 27.276 8.501 1.00 0.00 H new ATOM 1231 N GLY A 75 16.170 23.419 8.483 1.00 0.00 N ATOM 1232 CA GLY A 75 14.908 22.703 8.510 1.00 0.00 C ATOM 1233 C GLY A 75 14.705 21.838 7.281 1.00 0.00 C ATOM 1234 O GLY A 75 13.678 21.173 7.143 1.00 0.00 O ATOM 0 H GLY A 75 16.974 22.860 8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.868 22.077 9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.089 23.419 8.586 1.00 0.00 H new ATOM 1238 N LYS A 76 15.686 21.848 6.385 1.00 0.00 N ATOM 1239 CA LYS A 76 15.612 21.059 5.161 1.00 0.00 C ATOM 1240 C LYS A 76 16.132 19.645 5.392 1.00 0.00 C ATOM 1241 O LYS A 76 16.318 18.878 4.446 1.00 0.00 O ATOM 1242 CB LYS A 76 16.414 21.734 4.046 1.00 0.00 C ATOM 1243 CG LYS A 76 15.563 22.558 3.096 1.00 0.00 C ATOM 1244 CD LYS A 76 14.757 23.610 3.840 1.00 0.00 C ATOM 1245 CE LYS A 76 14.198 24.659 2.891 1.00 0.00 C ATOM 1246 NZ LYS A 76 13.000 25.338 3.458 1.00 0.00 N ATOM 0 H LYS A 76 16.542 22.394 6.484 1.00 0.00 H new ATOM 0 HA LYS A 76 14.566 20.997 4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.171 22.378 4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.942 20.969 3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.204 23.043 2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.888 21.901 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.938 23.130 4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.388 24.093 4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.967 25.400 2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.934 24.188 1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.649 26.045 2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.256 24.635 3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.257 25.809 4.349 1.00 0.00 H new ATOM 1260 N LEU A 77 16.365 19.304 6.655 1.00 0.00 N ATOM 1261 CA LEU A 77 16.863 17.980 7.011 1.00 0.00 C ATOM 1262 C LEU A 77 15.884 16.895 6.577 1.00 0.00 C ATOM 1263 O LEU A 77 16.284 15.859 6.046 1.00 0.00 O ATOM 1264 CB LEU A 77 17.104 17.892 8.519 1.00 0.00 C ATOM 1265 CG LEU A 77 17.316 16.488 9.084 1.00 0.00 C ATOM 1266 CD1 LEU A 77 18.278 16.526 10.262 1.00 0.00 C ATOM 1267 CD2 LEU A 77 15.987 15.873 9.499 1.00 0.00 C ATOM 0 H LEU A 77 16.217 19.926 7.450 1.00 0.00 H new ATOM 0 HA LEU A 77 17.807 17.822 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 77 17.978 18.496 8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.253 18.343 9.030 1.00 0.00 H new ATOM 0 HG LEU A 77 17.754 15.866 8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.417 15.517 10.651 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.239 16.924 9.935 1.00 0.00 H new ATOM 0 HD13 LEU A 77 17.869 17.164 11.045 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.158 14.873 9.899 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.521 16.495 10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.329 15.810 8.632 1.00 0.00 H new ATOM 1279 N ASP A 78 14.598 17.141 6.803 1.00 0.00 N ATOM 1280 CA ASP A 78 13.560 16.186 6.433 1.00 0.00 C ATOM 1281 C ASP A 78 13.715 15.752 4.978 1.00 0.00 C ATOM 1282 O ASP A 78 13.618 14.567 4.660 1.00 0.00 O ATOM 1283 CB ASP A 78 12.174 16.796 6.651 1.00 0.00 C ATOM 1284 CG ASP A 78 11.782 16.832 8.115 1.00 0.00 C ATOM 1285 OD1 ASP A 78 12.534 16.278 8.945 1.00 0.00 O ATOM 1286 OD2 ASP A 78 10.723 17.413 8.431 1.00 0.00 O ATOM 0 H ASP A 78 14.250 17.994 7.241 1.00 0.00 H new ATOM 0 HA ASP A 78 13.666 15.307 7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.158 17.809 6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.435 16.220 6.094 1.00 0.00 H new ATOM 1291 N SER A 79 13.954 16.721 4.100 1.00 0.00 N ATOM 1292 CA SER A 79 14.118 16.440 2.678 1.00 0.00 C ATOM 1293 C SER A 79 15.442 15.730 2.413 1.00 0.00 C ATOM 1294 O SER A 79 15.497 14.750 1.669 1.00 0.00 O ATOM 1295 CB SER A 79 14.050 17.736 1.869 1.00 0.00 C ATOM 1296 OG SER A 79 14.316 17.497 0.498 1.00 0.00 O ATOM 0 H SER A 79 14.038 17.707 4.348 1.00 0.00 H new ATOM 0 HA SER A 79 13.306 15.783 2.367 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.063 18.185 1.978 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.771 18.452 2.263 1.00 0.00 H new ATOM 0 HG SER A 79 14.265 18.341 0.003 1.00 0.00 H new ATOM 1302 N LEU A 80 16.508 16.232 3.027 1.00 0.00 N ATOM 1303 CA LEU A 80 17.834 15.647 2.859 1.00 0.00 C ATOM 1304 C LEU A 80 17.823 14.163 3.208 1.00 0.00 C ATOM 1305 O LEU A 80 18.258 13.324 2.417 1.00 0.00 O ATOM 1306 CB LEU A 80 18.851 16.381 3.734 1.00 0.00 C ATOM 1307 CG LEU A 80 19.753 17.386 3.017 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.821 16.663 2.211 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.929 18.296 2.118 1.00 0.00 C ATOM 0 H LEU A 80 16.480 17.043 3.646 1.00 0.00 H new ATOM 0 HA LEU A 80 18.121 15.753 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.311 16.906 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.483 15.639 4.221 1.00 0.00 H new ATOM 0 HG LEU A 80 20.248 18.002 3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.454 17.394 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.431 16.054 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.345 16.022 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.588 19.005 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.407 17.696 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.202 18.841 2.720 1.00 0.00 H new ATOM 1321 N LEU A 81 17.321 13.843 4.396 1.00 0.00 N ATOM 1322 CA LEU A 81 17.250 12.459 4.850 1.00 0.00 C ATOM 1323 C LEU A 81 16.295 11.649 3.980 1.00 0.00 C ATOM 1324 O LEU A 81 16.650 10.582 3.479 1.00 0.00 O ATOM 1325 CB LEU A 81 16.800 12.402 6.311 1.00 0.00 C ATOM 1326 CG LEU A 81 17.612 13.244 7.296 1.00 0.00 C ATOM 1327 CD1 LEU A 81 17.523 12.659 8.697 1.00 0.00 C ATOM 1328 CD2 LEU A 81 19.063 13.339 6.847 1.00 0.00 C ATOM 0 H LEU A 81 16.957 14.524 5.062 1.00 0.00 H new ATOM 0 HA LEU A 81 18.246 12.024 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.759 12.722 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.831 11.363 6.640 1.00 0.00 H new ATOM 0 HG LEU A 81 17.193 14.250 7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 81 18.107 13.271 9.385 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.482 12.644 9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.917 11.643 8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 81 19.626 13.942 7.560 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.495 12.339 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 81 19.109 13.804 5.862 1.00 0.00 H new ATOM 1340 N GLN A 82 15.082 12.164 3.803 1.00 0.00 N ATOM 1341 CA GLN A 82 14.076 11.488 2.992 1.00 0.00 C ATOM 1342 C GLN A 82 14.593 11.242 1.578 1.00 0.00 C ATOM 1343 O GLN A 82 14.123 10.340 0.884 1.00 0.00 O ATOM 1344 CB GLN A 82 12.791 12.316 2.941 1.00 0.00 C ATOM 1345 CG GLN A 82 11.726 11.732 2.028 1.00 0.00 C ATOM 1346 CD GLN A 82 10.339 12.257 2.338 1.00 0.00 C ATOM 1347 OE1 GLN A 82 9.386 11.488 2.470 1.00 0.00 O ATOM 1348 NE2 GLN A 82 10.217 13.575 2.455 1.00 0.00 N ATOM 0 H GLN A 82 14.772 13.047 4.210 1.00 0.00 H new ATOM 0 HA GLN A 82 13.861 10.524 3.454 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.385 12.404 3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.032 13.325 2.605 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.975 11.963 0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.728 10.646 2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.033 14.175 2.338 1.00 0.00 H new ATOM 0 HE22 GLN A 82 9.307 13.987 2.662 1.00 0.00 H new ATOM 1357 N ASP A 83 15.561 12.049 1.159 1.00 0.00 N ATOM 1358 CA ASP A 83 16.142 11.918 -0.172 1.00 0.00 C ATOM 1359 C ASP A 83 17.305 10.931 -0.163 1.00 0.00 C ATOM 1360 O ASP A 83 17.244 9.877 -0.796 1.00 0.00 O ATOM 1361 CB ASP A 83 16.617 13.280 -0.681 1.00 0.00 C ATOM 1362 CG ASP A 83 15.469 14.159 -1.139 1.00 0.00 C ATOM 1363 OD1 ASP A 83 14.501 13.619 -1.715 1.00 0.00 O ATOM 1364 OD2 ASP A 83 15.538 15.386 -0.919 1.00 0.00 O ATOM 0 H ASP A 83 15.960 12.801 1.721 1.00 0.00 H new ATOM 0 HA ASP A 83 15.371 11.537 -0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.167 13.789 0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.311 13.134 -1.508 1.00 0.00 H new ATOM 1369 N VAL A 84 18.366 11.281 0.559 1.00 0.00 N ATOM 1370 CA VAL A 84 19.543 10.426 0.651 1.00 0.00 C ATOM 1371 C VAL A 84 19.161 9.004 1.045 1.00 0.00 C ATOM 1372 O VAL A 84 19.840 8.043 0.681 1.00 0.00 O ATOM 1373 CB VAL A 84 20.557 10.975 1.672 1.00 0.00 C ATOM 1374 CG1 VAL A 84 21.079 12.334 1.229 1.00 0.00 C ATOM 1375 CG2 VAL A 84 19.926 11.062 3.054 1.00 0.00 C ATOM 0 H VAL A 84 18.434 12.150 1.088 1.00 0.00 H new ATOM 0 HA VAL A 84 20.003 10.414 -0.337 1.00 0.00 H new ATOM 0 HB VAL A 84 21.402 10.288 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.794 12.706 1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.570 12.237 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.247 13.034 1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.656 11.452 3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.063 11.727 3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.606 10.069 3.371 1.00 0.00 H new ATOM 1385 N HIS A 85 18.069 8.876 1.792 1.00 0.00 N ATOM 1386 CA HIS A 85 17.595 7.570 2.236 1.00 0.00 C ATOM 1387 C HIS A 85 17.460 6.612 1.056 1.00 0.00 C ATOM 1388 O HIS A 85 18.091 5.555 1.028 1.00 0.00 O ATOM 1389 CB HIS A 85 16.251 7.708 2.952 1.00 0.00 C ATOM 1390 CG HIS A 85 16.367 7.731 4.445 1.00 0.00 C ATOM 1391 ND1 HIS A 85 17.141 6.837 5.153 1.00 0.00 N ATOM 1392 CD2 HIS A 85 15.804 8.549 5.364 1.00 0.00 C ATOM 1393 CE1 HIS A 85 17.047 7.102 6.444 1.00 0.00 C ATOM 1394 NE2 HIS A 85 16.242 8.138 6.599 1.00 0.00 N ATOM 0 H HIS A 85 17.496 9.661 2.102 1.00 0.00 H new ATOM 0 HA HIS A 85 18.328 7.162 2.932 1.00 0.00 H new ATOM 0 HB2 HIS A 85 15.764 8.625 2.620 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.606 6.880 2.659 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.134 9.372 5.164 1.00 0.00 H new ATOM 0 HE1 HIS A 85 17.544 6.563 7.237 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.987 8.563 7.490 1.00 0.00 H new TER 1402 HIS A 85