USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 157:sc= -0.0861 (180deg=-0.753) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.128) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -55:sc= 0.225 USER MOD Single : A 15 THR OG1 : rot 41:sc= 0.388 USER MOD Single : A 16 THR OG1 : rot 99:sc= 0.886 USER MOD Single : A 21 SER OG : rot -28:sc= 0.351 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 37 SER OG : rot -140:sc= 0.143! USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -17:sc= 0.294 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -53:sc= 0.948 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -153:sc= -0.0758 (180deg=-0.527) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 161:sc= -0.0632 (180deg=-0.481) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.237 2.913 -2.631 1.00 0.00 N ATOM 2 CA MET A 1 -5.804 2.611 -4.025 1.00 0.00 C ATOM 3 C MET A 1 -6.117 3.805 -4.921 1.00 0.00 C ATOM 4 O MET A 1 -5.212 4.463 -5.430 1.00 0.00 O ATOM 5 CB MET A 1 -6.540 1.366 -4.527 1.00 0.00 C ATOM 6 CG MET A 1 -6.117 1.062 -5.965 1.00 0.00 C ATOM 7 SD MET A 1 -6.851 -0.508 -6.493 1.00 0.00 S ATOM 8 CE MET A 1 -8.572 0.046 -6.581 1.00 0.00 C ATOM 0 H1 MET A 1 -6.025 2.100 -2.018 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.729 3.751 -2.283 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.260 3.099 -2.618 1.00 0.00 H new ATOM 0 HA MET A 1 -4.731 2.422 -4.047 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.315 0.515 -3.884 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.617 1.525 -4.481 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.438 1.866 -6.627 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.030 1.008 -6.032 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.130 -0.605 -7.255 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.018 0.007 -5.587 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.606 1.070 -6.954 1.00 0.00 H new ATOM 20 N LYS A 2 -7.404 4.072 -5.116 1.00 0.00 N ATOM 21 CA LYS A 2 -7.825 5.191 -5.953 1.00 0.00 C ATOM 22 C LYS A 2 -7.422 6.527 -5.323 1.00 0.00 C ATOM 23 O LYS A 2 -6.921 7.421 -6.006 1.00 0.00 O ATOM 24 CB LYS A 2 -9.347 5.140 -6.148 1.00 0.00 C ATOM 25 CG LYS A 2 -9.827 6.303 -7.032 1.00 0.00 C ATOM 26 CD LYS A 2 -9.155 6.239 -8.413 1.00 0.00 C ATOM 27 CE LYS A 2 -9.993 7.011 -9.436 1.00 0.00 C ATOM 28 NZ LYS A 2 -10.096 8.439 -9.019 1.00 0.00 N ATOM 0 H LYS A 2 -8.169 3.534 -4.709 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.329 5.109 -6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.627 4.191 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.843 5.186 -5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.910 6.259 -7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.595 7.253 -6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.152 6.661 -8.359 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.047 5.201 -8.727 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -9.536 6.941 -10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.987 6.571 -9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -10.500 8.999 -9.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.710 8.513 -8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.150 8.802 -8.786 1.00 0.00 H new ATOM 42 N ASP A 3 -7.656 6.656 -4.013 1.00 0.00 N ATOM 43 CA ASP A 3 -7.332 7.887 -3.278 1.00 0.00 C ATOM 44 C ASP A 3 -6.567 7.562 -1.992 1.00 0.00 C ATOM 45 O ASP A 3 -7.114 7.679 -0.896 1.00 0.00 O ATOM 46 CB ASP A 3 -8.628 8.622 -2.930 1.00 0.00 C ATOM 47 CG ASP A 3 -9.364 8.993 -4.212 1.00 0.00 C ATOM 48 OD1 ASP A 3 -8.724 9.006 -5.251 1.00 0.00 O ATOM 49 OD2 ASP A 3 -10.553 9.259 -4.140 1.00 0.00 O ATOM 0 H ASP A 3 -8.069 5.922 -3.437 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.703 8.518 -3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.260 7.991 -2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.405 9.520 -2.353 1.00 0.00 H new ATOM 54 N PRO A 4 -5.332 7.143 -2.103 1.00 0.00 N ATOM 55 CA PRO A 4 -4.492 6.772 -0.925 1.00 0.00 C ATOM 56 C PRO A 4 -3.969 7.989 -0.159 1.00 0.00 C ATOM 57 O PRO A 4 -3.400 7.856 0.918 1.00 0.00 O ATOM 58 CB PRO A 4 -3.346 5.971 -1.555 1.00 0.00 C ATOM 59 CG PRO A 4 -3.184 6.559 -2.919 1.00 0.00 C ATOM 60 CD PRO A 4 -4.587 6.986 -3.368 1.00 0.00 C ATOM 0 HA PRO A 4 -5.056 6.214 -0.177 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.430 6.063 -0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.586 4.909 -1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -2.505 7.412 -2.898 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.759 5.831 -3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -4.559 7.917 -3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -5.046 6.236 -4.012 1.00 0.00 H new ATOM 68 N LYS A 5 -4.152 9.170 -0.727 1.00 0.00 N ATOM 69 CA LYS A 5 -3.686 10.395 -0.086 1.00 0.00 C ATOM 70 C LYS A 5 -4.606 10.877 1.047 1.00 0.00 C ATOM 71 O LYS A 5 -4.170 11.109 2.169 1.00 0.00 O ATOM 72 CB LYS A 5 -3.596 11.500 -1.144 1.00 0.00 C ATOM 73 CG LYS A 5 -2.444 11.195 -2.106 1.00 0.00 C ATOM 74 CD LYS A 5 -2.503 12.126 -3.326 1.00 0.00 C ATOM 75 CE LYS A 5 -2.170 13.566 -2.918 1.00 0.00 C ATOM 76 NZ LYS A 5 -2.048 14.409 -4.141 1.00 0.00 N ATOM 0 H LYS A 5 -4.616 9.309 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.715 10.175 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.535 11.568 -1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.437 12.466 -0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.491 11.319 -1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.499 10.156 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -1.800 11.785 -4.086 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.497 12.089 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.949 13.961 -2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.239 13.590 -2.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.822 15.387 -3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.290 14.035 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.947 14.395 -4.664 1.00 0.00 H new ATOM 90 N THR A 6 -5.893 10.970 0.712 1.00 0.00 N ATOM 91 CA THR A 6 -6.963 11.370 1.644 1.00 0.00 C ATOM 92 C THR A 6 -7.435 10.204 2.532 1.00 0.00 C ATOM 93 O THR A 6 -7.837 10.378 3.683 1.00 0.00 O ATOM 94 CB THR A 6 -8.156 11.915 0.853 1.00 0.00 C ATOM 95 OG1 THR A 6 -7.744 13.050 0.104 1.00 0.00 O ATOM 96 CG2 THR A 6 -9.271 12.315 1.821 1.00 0.00 C ATOM 0 H THR A 6 -6.233 10.768 -0.228 1.00 0.00 H new ATOM 0 HA THR A 6 -6.552 12.139 2.298 1.00 0.00 H new ATOM 0 HB THR A 6 -8.527 11.147 0.175 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.505 13.400 -0.405 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.120 12.703 1.258 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.584 11.443 2.395 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.904 13.084 2.500 1.00 0.00 H new ATOM 104 N LEU A 7 -7.345 9.026 1.952 1.00 0.00 N ATOM 105 CA LEU A 7 -7.729 7.795 2.656 1.00 0.00 C ATOM 106 C LEU A 7 -6.838 7.587 3.894 1.00 0.00 C ATOM 107 O LEU A 7 -7.328 7.329 4.992 1.00 0.00 O ATOM 108 CB LEU A 7 -7.629 6.587 1.718 1.00 0.00 C ATOM 109 CG LEU A 7 -8.009 5.292 2.456 1.00 0.00 C ATOM 110 CD1 LEU A 7 -9.456 5.376 2.970 1.00 0.00 C ATOM 111 CD2 LEU A 7 -7.876 4.113 1.485 1.00 0.00 C ATOM 0 H LEU A 7 -7.012 8.882 0.999 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.764 7.893 2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.288 6.730 0.862 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.614 6.505 1.329 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.344 5.152 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.712 4.453 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.550 6.217 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.134 5.517 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.143 3.188 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.543 4.264 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.847 4.048 1.131 1.00 0.00 H new ATOM 123 N LEU A 8 -5.537 7.743 3.696 1.00 0.00 N ATOM 124 CA LEU A 8 -4.512 7.631 4.745 1.00 0.00 C ATOM 125 C LEU A 8 -4.458 8.883 5.639 1.00 0.00 C ATOM 126 O LEU A 8 -3.964 8.856 6.767 1.00 0.00 O ATOM 127 CB LEU A 8 -3.136 7.404 4.095 1.00 0.00 C ATOM 128 CG LEU A 8 -2.961 5.920 3.733 1.00 0.00 C ATOM 129 CD1 LEU A 8 -4.153 5.438 2.898 1.00 0.00 C ATOM 130 CD2 LEU A 8 -1.668 5.743 2.932 1.00 0.00 C ATOM 0 H LEU A 8 -5.146 7.957 2.779 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.777 6.784 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.042 8.018 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.346 7.715 4.779 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.909 5.331 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.019 4.386 2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.072 5.560 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.216 6.025 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.541 4.692 2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.721 6.337 2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.820 6.074 3.532 1.00 0.00 H new ATOM 142 N ARG A 9 -4.988 9.965 5.084 1.00 0.00 N ATOM 143 CA ARG A 9 -5.042 11.263 5.767 1.00 0.00 C ATOM 144 C ARG A 9 -5.960 11.227 6.990 1.00 0.00 C ATOM 145 O ARG A 9 -5.716 11.909 7.984 1.00 0.00 O ATOM 146 CB ARG A 9 -5.546 12.344 4.815 1.00 0.00 C ATOM 147 CG ARG A 9 -5.455 13.711 5.489 1.00 0.00 C ATOM 148 CD ARG A 9 -5.821 14.799 4.479 1.00 0.00 C ATOM 149 NE ARG A 9 -5.770 16.115 5.103 1.00 0.00 N ATOM 150 CZ ARG A 9 -5.946 17.218 4.384 1.00 0.00 C ATOM 151 NH1 ARG A 9 -6.159 17.133 3.099 1.00 0.00 N ATOM 152 NH2 ARG A 9 -5.905 18.388 4.962 1.00 0.00 N ATOM 0 H ARG A 9 -5.394 9.974 4.148 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.028 11.489 6.096 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.954 12.340 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.577 12.137 4.529 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.128 13.752 6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.446 13.876 5.868 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.134 14.764 3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.821 14.616 4.085 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.597 16.190 6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.190 16.219 2.647 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.294 17.980 2.547 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.738 18.455 5.966 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.040 19.235 4.410 1.00 0.00 H new ATOM 166 N VAL A 10 -7.019 10.431 6.903 1.00 0.00 N ATOM 167 CA VAL A 10 -7.991 10.293 7.986 1.00 0.00 C ATOM 168 C VAL A 10 -7.402 9.614 9.227 1.00 0.00 C ATOM 169 O VAL A 10 -7.716 10.024 10.344 1.00 0.00 O ATOM 170 CB VAL A 10 -9.212 9.512 7.489 1.00 0.00 C ATOM 171 CG1 VAL A 10 -10.157 9.212 8.657 1.00 0.00 C ATOM 172 CG2 VAL A 10 -9.951 10.346 6.440 1.00 0.00 C ATOM 0 H VAL A 10 -7.230 9.863 6.082 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.287 11.299 8.285 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.880 8.571 7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.021 8.657 8.292 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.633 8.617 9.405 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.490 10.148 9.105 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.821 9.794 6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.275 11.286 6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.284 10.552 5.603 1.00 0.00 H new ATOM 182 N SER A 11 -6.562 8.597 9.074 1.00 0.00 N ATOM 183 CA SER A 11 -6.001 7.953 10.260 1.00 0.00 C ATOM 184 C SER A 11 -5.119 8.918 11.053 1.00 0.00 C ATOM 185 O SER A 11 -5.318 9.070 12.232 1.00 0.00 O ATOM 186 CB SER A 11 -5.183 6.728 9.850 1.00 0.00 C ATOM 187 OG SER A 11 -4.121 7.136 8.997 1.00 0.00 O ATOM 0 H SER A 11 -6.262 8.211 8.179 1.00 0.00 H new ATOM 0 HA SER A 11 -6.829 7.645 10.898 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.784 6.230 10.734 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.819 6.006 9.338 1.00 0.00 H new ATOM 0 HG SER A 11 -4.485 7.637 8.237 1.00 0.00 H new ATOM 193 N ILE A 12 -4.149 9.547 10.424 1.00 0.00 N ATOM 194 CA ILE A 12 -3.258 10.453 11.172 1.00 0.00 C ATOM 195 C ILE A 12 -4.065 11.515 11.966 1.00 0.00 C ATOM 196 O ILE A 12 -3.836 11.767 13.148 1.00 0.00 O ATOM 197 CB ILE A 12 -2.273 11.128 10.194 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.014 11.659 8.965 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.222 10.109 9.735 1.00 0.00 C ATOM 200 CD1 ILE A 12 -2.039 12.432 8.075 1.00 0.00 C ATOM 0 H ILE A 12 -3.948 9.463 9.428 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.696 9.867 11.899 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.792 11.959 10.710 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.454 10.832 8.408 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.834 12.308 9.274 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.528 10.588 9.045 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.674 9.737 10.600 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.716 9.277 9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.567 12.810 7.200 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.620 13.268 8.635 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.235 11.769 7.755 1.00 0.00 H new ATOM 212 N ILE A 13 -5.021 12.072 11.260 1.00 0.00 N ATOM 213 CA ILE A 13 -5.932 13.082 11.837 1.00 0.00 C ATOM 214 C ILE A 13 -6.745 12.520 13.040 1.00 0.00 C ATOM 215 O ILE A 13 -6.835 13.165 14.085 1.00 0.00 O ATOM 216 CB ILE A 13 -6.903 13.657 10.783 1.00 0.00 C ATOM 217 CG1 ILE A 13 -6.138 14.543 9.794 1.00 0.00 C ATOM 218 CG2 ILE A 13 -7.985 14.506 11.475 1.00 0.00 C ATOM 219 CD1 ILE A 13 -7.055 14.914 8.626 1.00 0.00 C ATOM 0 H ILE A 13 -5.203 11.854 10.280 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.292 13.887 12.197 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.369 12.828 10.250 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.786 15.445 10.295 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.257 14.018 9.426 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.666 14.908 10.725 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -8.542 13.884 12.176 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.513 15.327 12.015 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.511 15.544 7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.385 14.007 8.120 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.923 15.456 9.003 1.00 0.00 H new ATOM 231 N GLY A 14 -7.271 11.306 12.901 1.00 0.00 N ATOM 232 CA GLY A 14 -8.009 10.649 14.012 1.00 0.00 C ATOM 233 C GLY A 14 -7.061 9.889 14.976 1.00 0.00 C ATOM 234 O GLY A 14 -7.322 9.730 16.169 1.00 0.00 O ATOM 0 H GLY A 14 -7.209 10.751 12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.566 11.401 14.571 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.739 9.953 13.599 1.00 0.00 H new ATOM 238 N THR A 15 -5.975 9.441 14.382 1.00 0.00 N ATOM 239 CA THR A 15 -4.914 8.681 15.073 1.00 0.00 C ATOM 240 C THR A 15 -4.028 9.569 15.943 1.00 0.00 C ATOM 241 O THR A 15 -3.477 9.107 16.942 1.00 0.00 O ATOM 242 CB THR A 15 -4.035 7.881 14.109 1.00 0.00 C ATOM 243 OG1 THR A 15 -4.851 7.032 13.312 1.00 0.00 O ATOM 244 CG2 THR A 15 -3.050 7.025 14.908 1.00 0.00 C ATOM 0 H THR A 15 -5.787 9.588 13.390 1.00 0.00 H new ATOM 0 HA THR A 15 -5.446 7.981 15.717 1.00 0.00 H new ATOM 0 HB THR A 15 -3.487 8.570 13.466 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.662 7.513 13.046 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.424 6.455 14.222 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.422 7.670 15.522 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.602 6.339 15.550 1.00 0.00 H new ATOM 252 N THR A 16 -3.897 10.841 15.579 1.00 0.00 N ATOM 253 CA THR A 16 -3.084 11.779 16.346 1.00 0.00 C ATOM 254 C THR A 16 -3.789 12.257 17.612 1.00 0.00 C ATOM 255 O THR A 16 -3.145 12.576 18.611 1.00 0.00 O ATOM 256 CB THR A 16 -2.711 12.985 15.481 1.00 0.00 C ATOM 257 OG1 THR A 16 -1.968 12.545 14.353 1.00 0.00 O ATOM 258 CG2 THR A 16 -1.864 13.962 16.299 1.00 0.00 C ATOM 0 H THR A 16 -4.344 11.246 14.757 1.00 0.00 H new ATOM 0 HA THR A 16 -2.183 11.246 16.650 1.00 0.00 H new ATOM 0 HB THR A 16 -3.620 13.486 15.147 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.561 12.479 13.576 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.600 14.820 15.681 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.433 14.300 17.165 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.955 13.463 16.635 1.00 0.00 H new ATOM 266 N LEU A 17 -5.111 12.367 17.537 1.00 0.00 N ATOM 267 CA LEU A 17 -5.942 12.873 18.625 1.00 0.00 C ATOM 268 C LEU A 17 -6.139 11.919 19.806 1.00 0.00 C ATOM 269 O LEU A 17 -6.399 12.388 20.914 1.00 0.00 O ATOM 270 CB LEU A 17 -7.313 13.265 18.056 1.00 0.00 C ATOM 271 CG LEU A 17 -8.126 14.078 19.082 1.00 0.00 C ATOM 272 CD1 LEU A 17 -7.440 15.430 19.369 1.00 0.00 C ATOM 273 CD2 LEU A 17 -9.537 14.319 18.522 1.00 0.00 C ATOM 0 H LEU A 17 -5.643 12.104 16.708 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.402 13.726 19.036 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.179 13.851 17.147 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.865 12.367 17.778 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.186 13.519 20.016 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.029 15.990 20.096 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.442 15.254 19.769 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.364 16.003 18.445 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.121 14.894 19.241 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.467 14.873 17.586 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.025 13.361 18.341 1.00 0.00 H new ATOM 285 N VAL A 18 -6.073 10.603 19.623 1.00 0.00 N ATOM 286 CA VAL A 18 -6.330 9.745 20.775 1.00 0.00 C ATOM 287 C VAL A 18 -5.311 10.037 21.877 1.00 0.00 C ATOM 288 O VAL A 18 -5.660 10.260 23.036 1.00 0.00 O ATOM 289 CB VAL A 18 -6.238 8.273 20.356 1.00 0.00 C ATOM 290 CG1 VAL A 18 -6.299 7.374 21.594 1.00 0.00 C ATOM 291 CG2 VAL A 18 -7.406 7.939 19.422 1.00 0.00 C ATOM 0 H VAL A 18 -5.858 10.130 18.746 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.332 9.946 21.155 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.294 8.103 19.839 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.233 6.330 21.289 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.467 7.611 22.257 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.240 7.540 22.118 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.344 6.893 19.122 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.348 8.112 19.942 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.357 8.574 18.537 1.00 0.00 H new ATOM 301 N ALA A 19 -4.043 9.991 21.481 1.00 0.00 N ATOM 302 CA ALA A 19 -2.918 10.204 22.389 1.00 0.00 C ATOM 303 C ALA A 19 -2.961 11.573 23.063 1.00 0.00 C ATOM 304 O ALA A 19 -2.512 11.727 24.199 1.00 0.00 O ATOM 305 CB ALA A 19 -1.606 10.064 21.614 1.00 0.00 C ATOM 0 H ALA A 19 -3.764 9.804 20.518 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.986 9.450 23.173 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.766 10.223 22.290 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.542 9.064 21.184 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.574 10.805 20.815 1.00 0.00 H new ATOM 311 N LEU A 20 -3.499 12.564 22.365 1.00 0.00 N ATOM 312 CA LEU A 20 -3.580 13.908 22.930 1.00 0.00 C ATOM 313 C LEU A 20 -4.576 13.934 24.096 1.00 0.00 C ATOM 314 O LEU A 20 -4.263 14.456 25.165 1.00 0.00 O ATOM 315 CB LEU A 20 -3.982 14.920 21.843 1.00 0.00 C ATOM 316 CG LEU A 20 -3.420 16.313 22.163 1.00 0.00 C ATOM 317 CD1 LEU A 20 -3.773 17.272 21.022 1.00 0.00 C ATOM 318 CD2 LEU A 20 -4.011 16.836 23.484 1.00 0.00 C ATOM 0 H LEU A 20 -3.880 12.469 21.424 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.599 14.190 23.312 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.611 14.587 20.874 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.068 14.969 21.769 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.337 16.248 22.268 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.377 18.263 21.244 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.338 16.907 20.092 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.856 17.330 20.917 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.604 17.824 23.699 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.096 16.901 23.397 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.753 16.154 24.294 1.00 0.00 H new ATOM 330 N SER A 21 -5.759 13.357 23.911 1.00 0.00 N ATOM 331 CA SER A 21 -6.746 13.332 24.990 1.00 0.00 C ATOM 332 C SER A 21 -6.374 12.291 26.046 1.00 0.00 C ATOM 333 O SER A 21 -6.886 12.304 27.154 1.00 0.00 O ATOM 334 CB SER A 21 -8.131 13.018 24.422 1.00 0.00 C ATOM 335 OG SER A 21 -8.152 11.679 23.945 1.00 0.00 O ATOM 0 H SER A 21 -6.056 12.909 23.044 1.00 0.00 H new ATOM 0 HA SER A 21 -6.760 14.314 25.463 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.891 13.154 25.191 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.370 13.708 23.613 1.00 0.00 H new ATOM 0 HG SER A 21 -7.249 11.416 23.669 1.00 0.00 H new ATOM 341 N SER A 22 -5.520 11.364 25.654 1.00 0.00 N ATOM 342 CA SER A 22 -5.101 10.278 26.544 1.00 0.00 C ATOM 343 C SER A 22 -4.098 10.757 27.605 1.00 0.00 C ATOM 344 O SER A 22 -3.870 10.097 28.618 1.00 0.00 O ATOM 345 CB SER A 22 -4.430 9.179 25.724 1.00 0.00 C ATOM 346 OG SER A 22 -4.262 8.026 26.539 1.00 0.00 O ATOM 0 H SER A 22 -5.098 11.334 24.726 1.00 0.00 H new ATOM 0 HA SER A 22 -5.995 9.909 27.047 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.037 8.937 24.851 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.464 9.522 25.355 1.00 0.00 H new ATOM 0 HG SER A 22 -3.833 7.316 26.017 1.00 0.00 H new ATOM 352 N PHE A 23 -3.516 11.928 27.338 1.00 0.00 N ATOM 353 CA PHE A 23 -2.536 12.506 28.280 1.00 0.00 C ATOM 354 C PHE A 23 -3.208 13.262 29.459 1.00 0.00 C ATOM 355 O PHE A 23 -2.698 13.179 30.577 1.00 0.00 O ATOM 356 CB PHE A 23 -1.515 13.403 27.526 1.00 0.00 C ATOM 357 CG PHE A 23 -0.110 12.831 27.660 1.00 0.00 C ATOM 358 CD1 PHE A 23 0.667 13.166 28.776 1.00 0.00 C ATOM 359 CD2 PHE A 23 0.401 11.965 26.686 1.00 0.00 C ATOM 360 CE1 PHE A 23 1.955 12.634 28.917 1.00 0.00 C ATOM 361 CE2 PHE A 23 1.688 11.433 26.828 1.00 0.00 C ATOM 362 CZ PHE A 23 2.465 11.767 27.943 1.00 0.00 C ATOM 0 H PHE A 23 -3.694 12.487 26.504 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.993 11.675 28.730 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.788 13.471 26.473 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.543 14.415 27.929 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.273 13.834 29.528 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.198 11.707 25.825 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.555 12.893 29.777 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.082 10.764 26.077 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.458 11.356 28.052 1.00 0.00 H new ATOM 372 N THR A 24 -4.285 14.030 29.253 1.00 0.00 N ATOM 373 CA THR A 24 -4.886 14.797 30.368 1.00 0.00 C ATOM 374 C THR A 24 -5.545 13.929 31.471 1.00 0.00 C ATOM 375 O THR A 24 -5.457 14.256 32.654 1.00 0.00 O ATOM 376 CB THR A 24 -5.937 15.776 29.776 1.00 0.00 C ATOM 377 OG1 THR A 24 -6.026 15.559 28.375 1.00 0.00 O ATOM 378 CG2 THR A 24 -5.538 17.238 30.029 1.00 0.00 C ATOM 0 H THR A 24 -4.753 14.141 28.353 1.00 0.00 H new ATOM 0 HA THR A 24 -4.070 15.322 30.864 1.00 0.00 H new ATOM 0 HB THR A 24 -6.896 15.591 30.260 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.688 16.171 27.991 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.292 17.900 29.603 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.464 17.415 31.102 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.574 17.438 29.561 1.00 0.00 H new ATOM 386 N PRO A 25 -6.225 12.877 31.105 1.00 0.00 N ATOM 387 CA PRO A 25 -6.954 11.976 32.056 1.00 0.00 C ATOM 388 C PRO A 25 -6.170 11.590 33.308 1.00 0.00 C ATOM 389 O PRO A 25 -6.776 11.255 34.326 1.00 0.00 O ATOM 390 CB PRO A 25 -7.257 10.749 31.200 1.00 0.00 C ATOM 391 CG PRO A 25 -7.441 11.310 29.834 1.00 0.00 C ATOM 392 CD PRO A 25 -6.413 12.437 29.720 1.00 0.00 C ATOM 0 HA PRO A 25 -7.832 12.475 32.467 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.440 10.028 31.230 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -8.152 10.231 31.544 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.277 10.549 29.071 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.455 11.686 29.696 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.479 12.085 29.282 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.776 13.248 29.088 1.00 0.00 H new ATOM 400 N VAL A 26 -4.847 11.654 33.274 1.00 0.00 N ATOM 401 CA VAL A 26 -4.075 11.323 34.465 1.00 0.00 C ATOM 402 C VAL A 26 -4.445 12.277 35.604 1.00 0.00 C ATOM 403 O VAL A 26 -4.598 11.854 36.746 1.00 0.00 O ATOM 404 CB VAL A 26 -2.576 11.423 34.161 1.00 0.00 C ATOM 405 CG1 VAL A 26 -1.768 11.291 35.455 1.00 0.00 C ATOM 406 CG2 VAL A 26 -2.175 10.304 33.196 1.00 0.00 C ATOM 0 H VAL A 26 -4.296 11.924 32.459 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.306 10.302 34.768 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.369 12.392 33.707 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.704 11.363 35.229 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.048 12.090 36.142 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.976 10.326 35.917 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.109 10.375 32.980 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.389 9.337 33.651 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.741 10.402 32.269 1.00 0.00 H new ATOM 416 N LEU A 27 -4.536 13.568 35.298 1.00 0.00 N ATOM 417 CA LEU A 27 -4.824 14.593 36.306 1.00 0.00 C ATOM 418 C LEU A 27 -6.038 14.234 37.176 1.00 0.00 C ATOM 419 O LEU A 27 -6.142 14.679 38.319 1.00 0.00 O ATOM 420 CB LEU A 27 -5.105 15.928 35.585 1.00 0.00 C ATOM 421 CG LEU A 27 -3.789 16.643 35.252 1.00 0.00 C ATOM 422 CD1 LEU A 27 -2.963 15.780 34.296 1.00 0.00 C ATOM 423 CD2 LEU A 27 -4.099 17.986 34.586 1.00 0.00 C ATOM 0 H LEU A 27 -4.414 13.935 34.354 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.958 14.669 36.963 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.668 15.743 34.670 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.724 16.566 36.216 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.223 16.809 36.169 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.029 16.290 34.061 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.745 14.822 34.767 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.526 15.613 33.378 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.167 18.498 34.348 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.664 17.816 33.670 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.687 18.602 35.266 1.00 0.00 H new ATOM 435 N VAL A 28 -6.950 13.440 36.627 1.00 0.00 N ATOM 436 CA VAL A 28 -8.161 13.028 37.340 1.00 0.00 C ATOM 437 C VAL A 28 -7.848 12.092 38.509 1.00 0.00 C ATOM 438 O VAL A 28 -8.506 12.138 39.548 1.00 0.00 O ATOM 439 CB VAL A 28 -9.116 12.329 36.364 1.00 0.00 C ATOM 440 CG1 VAL A 28 -10.322 11.764 37.122 1.00 0.00 C ATOM 441 CG2 VAL A 28 -9.602 13.336 35.320 1.00 0.00 C ATOM 0 H VAL A 28 -6.875 13.064 35.682 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.627 13.924 37.749 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.588 11.512 35.872 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.994 11.270 36.420 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.980 11.044 37.865 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.851 12.576 37.621 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.281 12.841 34.625 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.124 14.153 35.818 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.748 13.733 34.772 1.00 0.00 H new ATOM 451 N ILE A 29 -6.819 11.276 38.341 1.00 0.00 N ATOM 452 CA ILE A 29 -6.406 10.367 39.406 1.00 0.00 C ATOM 453 C ILE A 29 -6.221 11.146 40.710 1.00 0.00 C ATOM 454 O ILE A 29 -6.472 10.610 41.790 1.00 0.00 O ATOM 455 CB ILE A 29 -5.108 9.620 39.036 1.00 0.00 C ATOM 456 CG1 ILE A 29 -3.884 10.581 39.101 1.00 0.00 C ATOM 457 CG2 ILE A 29 -5.243 9.025 37.624 1.00 0.00 C ATOM 458 CD1 ILE A 29 -3.128 10.399 40.425 1.00 0.00 C ATOM 0 H ILE A 29 -6.259 11.222 37.490 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.189 9.621 39.541 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.947 8.815 39.753 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.215 10.385 38.263 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.219 11.614 39.006 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.326 8.497 37.362 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.081 8.329 37.601 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.417 9.827 36.906 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.276 11.078 40.454 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.795 10.619 41.258 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.775 9.371 40.504 1.00 0.00 H new ATOM 470 N LEU A 30 -5.783 12.399 40.624 1.00 0.00 N ATOM 471 CA LEU A 30 -5.570 13.231 41.807 1.00 0.00 C ATOM 472 C LEU A 30 -6.836 13.391 42.659 1.00 0.00 C ATOM 473 O LEU A 30 -6.741 13.532 43.877 1.00 0.00 O ATOM 474 CB LEU A 30 -5.069 14.614 41.364 1.00 0.00 C ATOM 475 CG LEU A 30 -4.789 15.514 42.581 1.00 0.00 C ATOM 476 CD1 LEU A 30 -3.700 14.890 43.470 1.00 0.00 C ATOM 477 CD2 LEU A 30 -4.323 16.886 42.082 1.00 0.00 C ATOM 0 H LEU A 30 -5.567 12.864 39.742 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.829 12.731 42.430 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.160 14.503 40.772 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.813 15.086 40.722 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.699 15.618 43.171 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.514 15.538 44.326 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.032 13.913 43.820 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.781 14.776 42.894 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.121 17.534 42.935 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.414 16.769 41.492 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.102 17.332 41.464 1.00 0.00 H new ATOM 489 N LEU A 31 -8.013 13.347 42.050 1.00 0.00 N ATOM 490 CA LEU A 31 -9.254 13.453 42.820 1.00 0.00 C ATOM 491 C LEU A 31 -9.558 12.139 43.558 1.00 0.00 C ATOM 492 O LEU A 31 -9.974 12.115 44.713 1.00 0.00 O ATOM 493 CB LEU A 31 -10.411 13.789 41.868 1.00 0.00 C ATOM 494 CG LEU A 31 -11.734 13.913 42.642 1.00 0.00 C ATOM 495 CD1 LEU A 31 -11.635 15.034 43.690 1.00 0.00 C ATOM 496 CD2 LEU A 31 -12.857 14.236 41.650 1.00 0.00 C ATOM 0 H LEU A 31 -8.139 13.241 41.043 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.138 14.243 43.562 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.200 14.723 41.347 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.500 13.013 41.108 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.944 12.974 43.155 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.578 15.111 44.231 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.832 14.806 44.391 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.424 15.980 43.192 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.801 14.327 42.187 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -12.636 15.175 41.143 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.933 13.436 40.914 1.00 0.00 H new ATOM 508 N GLY A 32 -9.350 11.059 42.816 1.00 0.00 N ATOM 509 CA GLY A 32 -9.596 9.699 43.309 1.00 0.00 C ATOM 510 C GLY A 32 -8.675 9.317 44.477 1.00 0.00 C ATOM 511 O GLY A 32 -9.131 8.831 45.511 1.00 0.00 O ATOM 0 H GLY A 32 -9.007 11.095 41.856 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.635 9.615 43.628 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.455 8.990 42.493 1.00 0.00 H new ATOM 515 N VAL A 33 -7.385 9.586 44.309 1.00 0.00 N ATOM 516 CA VAL A 33 -6.433 9.294 45.391 1.00 0.00 C ATOM 517 C VAL A 33 -6.966 9.971 46.661 1.00 0.00 C ATOM 518 O VAL A 33 -7.001 9.364 47.732 1.00 0.00 O ATOM 519 CB VAL A 33 -5.019 9.779 45.062 1.00 0.00 C ATOM 520 CG1 VAL A 33 -4.469 8.984 43.876 1.00 0.00 C ATOM 521 CG2 VAL A 33 -5.061 11.254 44.699 1.00 0.00 C ATOM 0 H VAL A 33 -6.978 9.992 43.467 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.353 8.216 45.530 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.376 9.633 45.930 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.462 9.330 43.642 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.439 7.925 44.131 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.114 9.131 43.009 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.054 11.600 44.465 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.705 11.397 43.831 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.454 11.825 45.540 1.00 0.00 H new ATOM 531 N VAL A 34 -7.384 11.227 46.527 1.00 0.00 N ATOM 532 CA VAL A 34 -7.916 11.960 47.680 1.00 0.00 C ATOM 533 C VAL A 34 -9.116 11.182 48.232 1.00 0.00 C ATOM 534 O VAL A 34 -9.321 11.060 49.436 1.00 0.00 O ATOM 535 CB VAL A 34 -8.338 13.379 47.279 1.00 0.00 C ATOM 536 CG1 VAL A 34 -9.107 14.033 48.431 1.00 0.00 C ATOM 537 CG2 VAL A 34 -7.090 14.210 46.973 1.00 0.00 C ATOM 0 H VAL A 34 -7.367 11.752 45.653 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.144 12.051 48.444 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.976 13.330 46.397 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.406 15.041 48.143 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.995 13.442 48.657 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.469 14.082 49.313 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.386 15.219 46.688 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.456 14.254 47.859 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.537 13.749 46.154 1.00 0.00 H new ATOM 547 N GLY A 35 -9.889 10.644 47.308 1.00 0.00 N ATOM 548 CA GLY A 35 -11.053 9.848 47.685 1.00 0.00 C ATOM 549 C GLY A 35 -10.575 8.679 48.552 1.00 0.00 C ATOM 550 O GLY A 35 -11.153 8.370 49.591 1.00 0.00 O ATOM 0 H GLY A 35 -9.740 10.738 46.303 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.770 10.459 48.233 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.564 9.478 46.796 1.00 0.00 H new ATOM 554 N LEU A 36 -9.486 8.066 48.106 1.00 0.00 N ATOM 555 CA LEU A 36 -8.866 6.949 48.823 1.00 0.00 C ATOM 556 C LEU A 36 -8.210 7.442 50.126 1.00 0.00 C ATOM 557 O LEU A 36 -8.161 6.726 51.123 1.00 0.00 O ATOM 558 CB LEU A 36 -7.802 6.266 47.932 1.00 0.00 C ATOM 559 CG LEU A 36 -8.445 5.189 47.042 1.00 0.00 C ATOM 560 CD1 LEU A 36 -9.404 5.833 46.041 1.00 0.00 C ATOM 561 CD2 LEU A 36 -7.347 4.446 46.278 1.00 0.00 C ATOM 0 H LEU A 36 -9.007 8.324 47.243 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.644 6.227 49.070 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.309 7.012 47.309 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.032 5.815 48.558 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.001 4.494 47.671 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.852 5.060 45.417 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.188 6.365 46.579 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.856 6.534 45.412 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.798 3.681 45.645 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.795 5.151 45.657 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.665 3.975 46.987 1.00 0.00 H new ATOM 573 N SER A 37 -7.759 8.697 50.105 1.00 0.00 N ATOM 574 CA SER A 37 -7.165 9.308 51.302 1.00 0.00 C ATOM 575 C SER A 37 -8.232 9.311 52.404 1.00 0.00 C ATOM 576 O SER A 37 -7.972 9.040 53.567 1.00 0.00 O ATOM 577 CB SER A 37 -6.672 10.732 51.016 1.00 0.00 C ATOM 578 OG SER A 37 -5.661 10.681 50.020 1.00 0.00 O ATOM 0 H SER A 37 -7.791 9.305 49.287 1.00 0.00 H new ATOM 0 HA SER A 37 -6.295 8.733 51.618 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.500 11.356 50.680 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.280 11.185 51.927 1.00 0.00 H new ATOM 0 HG SER A 37 -4.946 11.311 50.247 1.00 0.00 H new ATOM 584 N ALA A 38 -9.453 9.571 52.019 1.00 0.00 N ATOM 585 CA ALA A 38 -10.530 9.542 52.994 1.00 0.00 C ATOM 586 C ALA A 38 -10.553 8.153 53.640 1.00 0.00 C ATOM 587 O ALA A 38 -10.811 8.020 54.836 1.00 0.00 O ATOM 588 CB ALA A 38 -11.878 9.848 52.338 1.00 0.00 C ATOM 0 H ALA A 38 -9.731 9.800 51.065 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.357 10.308 53.750 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.665 9.819 53.092 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.846 10.839 51.885 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.085 9.104 51.569 1.00 0.00 H new ATOM 594 N LEU A 39 -10.265 7.126 52.846 1.00 0.00 N ATOM 595 CA LEU A 39 -10.245 5.765 53.389 1.00 0.00 C ATOM 596 C LEU A 39 -8.936 5.464 54.162 1.00 0.00 C ATOM 597 O LEU A 39 -8.967 4.982 55.293 1.00 0.00 O ATOM 598 CB LEU A 39 -10.362 4.762 52.236 1.00 0.00 C ATOM 599 CG LEU A 39 -11.628 5.040 51.413 1.00 0.00 C ATOM 600 CD1 LEU A 39 -11.701 4.039 50.255 1.00 0.00 C ATOM 601 CD2 LEU A 39 -12.882 4.903 52.295 1.00 0.00 C ATOM 0 H LEU A 39 -10.048 7.201 51.852 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.082 5.676 54.081 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.482 4.829 51.596 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.392 3.746 52.630 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.586 6.057 51.024 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.598 4.230 49.665 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.820 4.150 49.622 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.737 3.025 50.653 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.771 5.103 51.697 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.935 3.891 52.697 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.829 5.618 53.116 1.00 0.00 H new ATOM 613 N THR A 40 -7.794 5.687 53.493 1.00 0.00 N ATOM 614 CA THR A 40 -6.461 5.371 54.054 1.00 0.00 C ATOM 615 C THR A 40 -5.642 6.605 54.469 1.00 0.00 C ATOM 616 O THR A 40 -4.665 6.507 55.211 1.00 0.00 O ATOM 617 CB THR A 40 -5.664 4.678 52.946 1.00 0.00 C ATOM 618 OG1 THR A 40 -5.527 5.560 51.841 1.00 0.00 O ATOM 619 CG2 THR A 40 -6.400 3.412 52.502 1.00 0.00 C ATOM 0 H THR A 40 -7.763 6.088 52.556 1.00 0.00 H new ATOM 0 HA THR A 40 -6.625 4.768 54.947 1.00 0.00 H new ATOM 0 HB THR A 40 -4.677 4.409 53.321 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.016 5.118 51.131 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.832 2.919 51.713 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.505 2.736 53.350 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.388 3.678 52.126 1.00 0.00 H new ATOM 627 N GLY A 41 -6.109 7.752 54.019 1.00 0.00 N ATOM 628 CA GLY A 41 -5.491 9.039 54.370 1.00 0.00 C ATOM 629 C GLY A 41 -3.981 9.071 54.174 1.00 0.00 C ATOM 630 O GLY A 41 -3.234 8.348 54.832 1.00 0.00 O ATOM 0 H GLY A 41 -6.919 7.831 53.405 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.943 9.825 53.765 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.718 9.268 55.411 1.00 0.00 H new ATOM 634 N TYR A 42 -3.551 9.916 53.240 1.00 0.00 N ATOM 635 CA TYR A 42 -2.140 10.078 52.888 1.00 0.00 C ATOM 636 C TYR A 42 -1.763 11.568 52.915 1.00 0.00 C ATOM 637 O TYR A 42 -0.822 11.980 52.241 1.00 0.00 O ATOM 638 CB TYR A 42 -1.949 9.520 51.442 1.00 0.00 C ATOM 639 CG TYR A 42 -2.236 10.599 50.384 1.00 0.00 C ATOM 640 CD1 TYR A 42 -3.268 11.521 50.591 1.00 0.00 C ATOM 641 CD2 TYR A 42 -1.436 10.689 49.237 1.00 0.00 C ATOM 642 CE1 TYR A 42 -3.502 12.534 49.652 1.00 0.00 C ATOM 643 CE2 TYR A 42 -1.671 11.701 48.299 1.00 0.00 C ATOM 644 CZ TYR A 42 -2.704 12.623 48.506 1.00 0.00 C ATOM 645 OH TYR A 42 -2.934 13.620 47.580 1.00 0.00 O ATOM 0 H TYR A 42 -4.177 10.514 52.700 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.506 9.546 53.597 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.929 9.153 51.323 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.614 8.670 51.287 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -3.884 11.452 51.475 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.639 9.978 49.077 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.298 13.246 49.813 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.055 11.771 47.415 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.290 13.539 46.846 1.00 0.00 H new ATOM 655 N LEU A 43 -2.512 12.376 53.661 1.00 0.00 N ATOM 656 CA LEU A 43 -2.266 13.815 53.730 1.00 0.00 C ATOM 657 C LEU A 43 -0.787 14.169 53.927 1.00 0.00 C ATOM 658 O LEU A 43 -0.177 14.823 53.082 1.00 0.00 O ATOM 659 CB LEU A 43 -3.037 14.312 54.980 1.00 0.00 C ATOM 660 CG LEU A 43 -3.435 15.799 54.846 1.00 0.00 C ATOM 661 CD1 LEU A 43 -2.200 16.644 54.514 1.00 0.00 C ATOM 662 CD2 LEU A 43 -4.510 15.985 53.750 1.00 0.00 C ATOM 0 H LEU A 43 -3.297 12.058 54.229 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.582 14.273 52.792 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.932 13.706 55.121 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.418 14.178 55.867 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.853 16.129 55.797 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.490 17.691 54.421 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.463 16.540 55.311 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.768 16.303 53.574 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.774 17.040 53.674 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.118 15.640 52.793 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.397 15.407 54.009 1.00 0.00 H new ATOM 674 N ASP A 44 -0.228 13.739 55.054 1.00 0.00 N ATOM 675 CA ASP A 44 1.172 14.028 55.352 1.00 0.00 C ATOM 676 C ASP A 44 2.082 13.282 54.384 1.00 0.00 C ATOM 677 O ASP A 44 3.078 13.831 53.913 1.00 0.00 O ATOM 678 CB ASP A 44 1.510 13.666 56.799 1.00 0.00 C ATOM 679 CG ASP A 44 2.901 14.175 57.158 1.00 0.00 C ATOM 680 OD1 ASP A 44 3.561 14.710 56.283 1.00 0.00 O ATOM 681 OD2 ASP A 44 3.278 14.040 58.311 1.00 0.00 O ATOM 0 H ASP A 44 -0.714 13.196 55.768 1.00 0.00 H new ATOM 0 HA ASP A 44 1.335 15.099 55.228 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.771 14.100 57.472 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.465 12.585 56.931 1.00 0.00 H new ATOM 686 N TYR A 45 1.755 12.029 54.101 1.00 0.00 N ATOM 687 CA TYR A 45 2.582 11.234 53.204 1.00 0.00 C ATOM 688 C TYR A 45 2.690 11.880 51.824 1.00 0.00 C ATOM 689 O TYR A 45 3.789 11.962 51.289 1.00 0.00 O ATOM 690 CB TYR A 45 1.997 9.824 53.057 1.00 0.00 C ATOM 691 CG TYR A 45 2.271 9.013 54.302 1.00 0.00 C ATOM 692 CD1 TYR A 45 3.492 8.340 54.436 1.00 0.00 C ATOM 693 CD2 TYR A 45 1.303 8.916 55.308 1.00 0.00 C ATOM 694 CE1 TYR A 45 3.745 7.572 55.579 1.00 0.00 C ATOM 695 CE2 TYR A 45 1.557 8.148 56.451 1.00 0.00 C ATOM 696 CZ TYR A 45 2.777 7.476 56.586 1.00 0.00 C ATOM 697 OH TYR A 45 3.026 6.718 57.712 1.00 0.00 O ATOM 0 H TYR A 45 0.937 11.547 54.472 1.00 0.00 H new ATOM 0 HA TYR A 45 3.580 11.178 53.639 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.923 9.884 52.883 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.433 9.330 52.189 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.238 8.413 53.658 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.361 9.433 55.203 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.687 7.054 55.684 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.811 8.074 57.229 1.00 0.00 H new ATOM 0 HH TYR A 45 2.252 6.759 58.312 1.00 0.00 H new ATOM 707 N VAL A 46 1.552 12.318 51.268 1.00 0.00 N ATOM 708 CA VAL A 46 1.478 12.940 49.929 1.00 0.00 C ATOM 709 C VAL A 46 2.833 13.292 49.307 1.00 0.00 C ATOM 710 O VAL A 46 3.072 12.986 48.138 1.00 0.00 O ATOM 711 CB VAL A 46 0.629 14.211 50.013 1.00 0.00 C ATOM 712 CG1 VAL A 46 1.341 15.260 50.874 1.00 0.00 C ATOM 713 CG2 VAL A 46 0.407 14.769 48.605 1.00 0.00 C ATOM 0 H VAL A 46 0.647 12.252 51.735 1.00 0.00 H new ATOM 0 HA VAL A 46 1.032 12.189 49.277 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.332 13.970 50.467 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.730 16.161 50.929 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.494 14.864 51.878 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.306 15.502 50.429 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.197 15.674 48.663 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.370 15.004 48.151 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.109 14.027 47.997 1.00 0.00 H new ATOM 723 N LEU A 47 3.702 13.944 50.053 1.00 0.00 N ATOM 724 CA LEU A 47 5.001 14.337 49.515 1.00 0.00 C ATOM 725 C LEU A 47 5.743 13.143 48.875 1.00 0.00 C ATOM 726 O LEU A 47 6.246 13.232 47.758 1.00 0.00 O ATOM 727 CB LEU A 47 5.849 14.912 50.668 1.00 0.00 C ATOM 728 CG LEU A 47 6.863 15.958 50.156 1.00 0.00 C ATOM 729 CD1 LEU A 47 7.724 15.355 49.042 1.00 0.00 C ATOM 730 CD2 LEU A 47 6.132 17.217 49.633 1.00 0.00 C ATOM 0 H LEU A 47 3.541 14.213 51.024 1.00 0.00 H new ATOM 0 HA LEU A 47 4.845 15.082 48.734 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.194 15.370 51.409 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.381 14.103 51.169 1.00 0.00 H new ATOM 0 HG LEU A 47 7.505 16.249 50.987 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.436 16.101 48.688 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.265 14.491 49.428 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.084 15.043 48.216 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.864 17.941 49.277 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.469 16.939 48.814 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.547 17.659 50.439 1.00 0.00 H new ATOM 742 N LEU A 48 5.817 12.044 49.623 1.00 0.00 N ATOM 743 CA LEU A 48 6.527 10.837 49.165 1.00 0.00 C ATOM 744 C LEU A 48 5.933 10.215 47.878 1.00 0.00 C ATOM 745 O LEU A 48 6.662 10.061 46.899 1.00 0.00 O ATOM 746 CB LEU A 48 6.626 9.812 50.310 1.00 0.00 C ATOM 747 CG LEU A 48 7.149 8.459 49.802 1.00 0.00 C ATOM 748 CD1 LEU A 48 8.530 8.641 49.166 1.00 0.00 C ATOM 749 CD2 LEU A 48 7.267 7.495 50.986 1.00 0.00 C ATOM 0 H LEU A 48 5.397 11.958 50.548 1.00 0.00 H new ATOM 0 HA LEU A 48 7.533 11.149 48.885 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.290 10.193 51.086 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.646 9.677 50.767 1.00 0.00 H new ATOM 0 HG LEU A 48 6.459 8.060 49.058 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.895 7.679 48.808 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.456 9.335 48.329 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.223 9.039 49.908 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.638 6.532 50.635 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.960 7.905 51.721 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.288 7.362 51.446 1.00 0.00 H new ATOM 761 N PRO A 49 4.672 9.852 47.822 1.00 0.00 N ATOM 762 CA PRO A 49 4.080 9.250 46.585 1.00 0.00 C ATOM 763 C PRO A 49 4.168 10.192 45.382 1.00 0.00 C ATOM 764 O PRO A 49 4.222 9.738 44.243 1.00 0.00 O ATOM 765 CB PRO A 49 2.620 8.955 46.974 1.00 0.00 C ATOM 766 CG PRO A 49 2.351 9.851 48.133 1.00 0.00 C ATOM 767 CD PRO A 49 3.673 9.954 48.886 1.00 0.00 C ATOM 0 HA PRO A 49 4.617 8.356 46.268 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.940 9.161 46.147 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.486 7.907 47.243 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.012 10.832 47.800 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.567 9.442 48.771 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.756 10.897 49.427 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.782 9.155 49.619 1.00 0.00 H new ATOM 775 N ALA A 50 4.230 11.496 45.638 1.00 0.00 N ATOM 776 CA ALA A 50 4.364 12.486 44.570 1.00 0.00 C ATOM 777 C ALA A 50 5.757 12.421 43.958 1.00 0.00 C ATOM 778 O ALA A 50 5.927 12.686 42.768 1.00 0.00 O ATOM 779 CB ALA A 50 4.098 13.891 45.114 1.00 0.00 C ATOM 0 H ALA A 50 4.190 11.893 46.577 1.00 0.00 H new ATOM 0 HA ALA A 50 3.630 12.261 43.796 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.201 14.618 44.309 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.087 13.939 45.519 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.816 14.118 45.902 1.00 0.00 H new ATOM 785 N LEU A 51 6.744 12.035 44.752 1.00 0.00 N ATOM 786 CA LEU A 51 8.097 11.907 44.230 1.00 0.00 C ATOM 787 C LEU A 51 8.119 10.807 43.176 1.00 0.00 C ATOM 788 O LEU A 51 8.776 10.921 42.143 1.00 0.00 O ATOM 789 CB LEU A 51 9.078 11.554 45.353 1.00 0.00 C ATOM 790 CG LEU A 51 9.250 12.749 46.307 1.00 0.00 C ATOM 791 CD1 LEU A 51 10.055 12.305 47.534 1.00 0.00 C ATOM 792 CD2 LEU A 51 9.983 13.908 45.596 1.00 0.00 C ATOM 0 H LEU A 51 6.639 11.809 45.741 1.00 0.00 H new ATOM 0 HA LEU A 51 8.399 12.858 43.791 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.713 10.688 45.906 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.043 11.277 44.928 1.00 0.00 H new ATOM 0 HG LEU A 51 8.266 13.099 46.617 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.179 13.149 48.213 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.524 11.502 48.046 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.035 11.948 47.217 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.096 14.745 46.286 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.967 13.571 45.270 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.404 14.228 44.730 1.00 0.00 H new ATOM 804 N ALA A 52 7.358 9.752 43.449 1.00 0.00 N ATOM 805 CA ALA A 52 7.256 8.635 42.518 1.00 0.00 C ATOM 806 C ALA A 52 6.667 9.112 41.189 1.00 0.00 C ATOM 807 O ALA A 52 7.170 8.758 40.123 1.00 0.00 O ATOM 808 CB ALA A 52 6.383 7.524 43.107 1.00 0.00 C ATOM 0 H ALA A 52 6.807 9.647 44.301 1.00 0.00 H new ATOM 0 HA ALA A 52 8.256 8.237 42.343 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.318 6.698 42.398 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.825 7.169 44.038 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.384 7.912 43.304 1.00 0.00 H new ATOM 814 N ILE A 53 5.615 9.931 41.251 1.00 0.00 N ATOM 815 CA ILE A 53 5.004 10.451 40.026 1.00 0.00 C ATOM 816 C ILE A 53 5.993 11.338 39.269 1.00 0.00 C ATOM 817 O ILE A 53 6.209 11.126 38.079 1.00 0.00 O ATOM 818 CB ILE A 53 3.704 11.229 40.352 1.00 0.00 C ATOM 819 CG1 ILE A 53 2.535 10.249 40.597 1.00 0.00 C ATOM 820 CG2 ILE A 53 3.333 12.163 39.189 1.00 0.00 C ATOM 821 CD1 ILE A 53 2.629 9.652 41.999 1.00 0.00 C ATOM 0 H ILE A 53 5.176 10.243 42.117 1.00 0.00 H new ATOM 0 HA ILE A 53 4.743 9.608 39.386 1.00 0.00 H new ATOM 0 HB ILE A 53 3.881 11.818 41.252 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.585 10.769 40.479 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.557 9.453 39.853 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.418 12.702 39.433 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.141 12.876 39.023 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.177 11.574 38.285 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.799 8.963 42.158 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.571 9.114 42.103 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.584 10.451 42.739 1.00 0.00 H new ATOM 833 N PHE A 54 6.600 12.323 39.927 1.00 0.00 N ATOM 834 CA PHE A 54 7.553 13.186 39.235 1.00 0.00 C ATOM 835 C PHE A 54 8.697 12.357 38.667 1.00 0.00 C ATOM 836 O PHE A 54 9.125 12.576 37.535 1.00 0.00 O ATOM 837 CB PHE A 54 8.103 14.247 40.191 1.00 0.00 C ATOM 838 CG PHE A 54 9.050 15.156 39.445 1.00 0.00 C ATOM 839 CD1 PHE A 54 8.543 16.199 38.662 1.00 0.00 C ATOM 840 CD2 PHE A 54 10.432 14.957 39.538 1.00 0.00 C ATOM 841 CE1 PHE A 54 9.420 17.046 37.971 1.00 0.00 C ATOM 842 CE2 PHE A 54 11.309 15.802 38.847 1.00 0.00 C ATOM 843 CZ PHE A 54 10.803 16.846 38.063 1.00 0.00 C ATOM 0 H PHE A 54 6.455 12.540 40.913 1.00 0.00 H new ATOM 0 HA PHE A 54 7.036 13.685 38.416 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.284 14.828 40.616 1.00 0.00 H new ATOM 0 HB3 PHE A 54 8.621 13.769 41.023 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.476 16.351 38.590 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.822 14.152 40.143 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.030 17.852 37.368 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.376 15.649 38.919 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.479 17.497 37.529 1.00 0.00 H new ATOM 853 N ILE A 55 9.163 11.382 39.434 1.00 0.00 N ATOM 854 CA ILE A 55 10.226 10.506 38.963 1.00 0.00 C ATOM 855 C ILE A 55 9.717 9.704 37.768 1.00 0.00 C ATOM 856 O ILE A 55 10.410 9.520 36.768 1.00 0.00 O ATOM 857 CB ILE A 55 10.644 9.549 40.095 1.00 0.00 C ATOM 858 CG1 ILE A 55 11.397 10.325 41.201 1.00 0.00 C ATOM 859 CG2 ILE A 55 11.538 8.432 39.536 1.00 0.00 C ATOM 860 CD1 ILE A 55 12.880 10.532 40.838 1.00 0.00 C ATOM 0 H ILE A 55 8.826 11.179 40.375 1.00 0.00 H new ATOM 0 HA ILE A 55 11.089 11.100 38.663 1.00 0.00 H new ATOM 0 HB ILE A 55 9.747 9.104 40.527 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.921 11.293 41.356 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.325 9.780 42.142 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.829 7.760 40.344 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.990 7.872 38.778 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.431 8.870 39.089 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.377 11.081 41.638 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.362 9.563 40.709 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.952 11.099 39.910 1.00 0.00 H new ATOM 872 N GLY A 56 8.474 9.249 37.906 1.00 0.00 N ATOM 873 CA GLY A 56 7.812 8.479 36.860 1.00 0.00 C ATOM 874 C GLY A 56 7.613 9.320 35.602 1.00 0.00 C ATOM 875 O GLY A 56 7.820 8.844 34.486 1.00 0.00 O ATOM 0 H GLY A 56 7.904 9.402 38.738 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.407 7.597 36.622 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.847 8.124 37.221 1.00 0.00 H new ATOM 879 N LEU A 57 7.211 10.576 35.790 1.00 0.00 N ATOM 880 CA LEU A 57 6.995 11.465 34.653 1.00 0.00 C ATOM 881 C LEU A 57 8.308 11.663 33.907 1.00 0.00 C ATOM 882 O LEU A 57 8.365 11.518 32.685 1.00 0.00 O ATOM 883 CB LEU A 57 6.449 12.815 35.139 1.00 0.00 C ATOM 884 CG LEU A 57 6.253 13.778 33.957 1.00 0.00 C ATOM 885 CD1 LEU A 57 5.255 13.185 32.948 1.00 0.00 C ATOM 886 CD2 LEU A 57 5.713 15.110 34.491 1.00 0.00 C ATOM 0 H LEU A 57 7.031 10.994 36.703 1.00 0.00 H new ATOM 0 HA LEU A 57 6.265 11.019 33.977 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.500 12.665 35.654 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.138 13.253 35.861 1.00 0.00 H new ATOM 0 HG LEU A 57 7.207 13.934 33.453 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.125 13.877 32.116 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.637 12.235 32.574 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.295 13.023 33.438 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.569 15.803 33.662 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.760 14.941 34.992 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.425 15.534 35.199 1.00 0.00 H new ATOM 898 N THR A 58 9.356 12.020 34.640 1.00 0.00 N ATOM 899 CA THR A 58 10.648 12.260 34.015 1.00 0.00 C ATOM 900 C THR A 58 11.028 11.076 33.140 1.00 0.00 C ATOM 901 O THR A 58 11.551 11.245 32.040 1.00 0.00 O ATOM 902 CB THR A 58 11.717 12.459 35.094 1.00 0.00 C ATOM 903 OG1 THR A 58 11.704 11.351 35.983 1.00 0.00 O ATOM 904 CG2 THR A 58 11.441 13.750 35.872 1.00 0.00 C ATOM 0 H THR A 58 9.337 12.148 35.652 1.00 0.00 H new ATOM 0 HA THR A 58 10.582 13.157 33.399 1.00 0.00 H new ATOM 0 HB THR A 58 12.696 12.533 34.620 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.861 10.861 35.883 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.206 13.884 36.637 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.460 14.598 35.188 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.461 13.687 36.345 1.00 0.00 H new ATOM 912 N ILE A 59 10.715 9.880 33.625 1.00 0.00 N ATOM 913 CA ILE A 59 10.981 8.666 32.865 1.00 0.00 C ATOM 914 C ILE A 59 10.122 8.661 31.603 1.00 0.00 C ATOM 915 O ILE A 59 10.602 8.319 30.522 1.00 0.00 O ATOM 916 CB ILE A 59 10.702 7.421 33.713 1.00 0.00 C ATOM 917 CG1 ILE A 59 11.741 7.333 34.837 1.00 0.00 C ATOM 918 CG2 ILE A 59 10.795 6.168 32.839 1.00 0.00 C ATOM 919 CD1 ILE A 59 11.320 6.266 35.856 1.00 0.00 C ATOM 0 H ILE A 59 10.280 9.726 34.535 1.00 0.00 H new ATOM 0 HA ILE A 59 12.034 8.646 32.583 1.00 0.00 H new ATOM 0 HB ILE A 59 9.701 7.490 34.139 1.00 0.00 H new ATOM 0 HG12 ILE A 59 12.718 7.086 34.422 1.00 0.00 H new ATOM 0 HG13 ILE A 59 11.839 8.300 35.330 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.596 5.285 33.446 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.061 6.229 32.036 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.795 6.096 32.411 1.00 0.00 H new ATOM 0 HD11 ILE A 59 12.063 6.209 36.651 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.352 6.531 36.282 1.00 0.00 H new ATOM 0 HD13 ILE A 59 11.245 5.298 35.360 1.00 0.00 H new ATOM 931 N TYR A 60 8.847 9.016 31.742 1.00 0.00 N ATOM 932 CA TYR A 60 7.932 9.020 30.605 1.00 0.00 C ATOM 933 C TYR A 60 8.532 9.774 29.418 1.00 0.00 C ATOM 934 O TYR A 60 8.343 9.363 28.273 1.00 0.00 O ATOM 935 CB TYR A 60 6.594 9.655 31.024 1.00 0.00 C ATOM 936 CG TYR A 60 5.448 9.056 30.233 1.00 0.00 C ATOM 937 CD1 TYR A 60 5.237 9.430 28.900 1.00 0.00 C ATOM 938 CD2 TYR A 60 4.588 8.136 30.846 1.00 0.00 C ATOM 939 CE1 TYR A 60 4.166 8.884 28.181 1.00 0.00 C ATOM 940 CE2 TYR A 60 3.518 7.590 30.126 1.00 0.00 C ATOM 941 CZ TYR A 60 3.307 7.965 28.794 1.00 0.00 C ATOM 942 OH TYR A 60 2.252 7.428 28.085 1.00 0.00 O ATOM 0 H TYR A 60 8.426 9.303 32.626 1.00 0.00 H new ATOM 0 HA TYR A 60 7.761 7.990 30.291 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.429 9.498 32.090 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.630 10.732 30.863 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.900 10.139 28.427 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.750 7.848 31.874 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.003 9.172 27.153 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.856 6.880 30.598 1.00 0.00 H new ATOM 0 HH TYR A 60 1.755 6.807 28.658 1.00 0.00 H new ATOM 952 N ALA A 61 9.302 10.830 29.665 1.00 0.00 N ATOM 953 CA ALA A 61 9.944 11.520 28.555 1.00 0.00 C ATOM 954 C ALA A 61 10.897 10.548 27.877 1.00 0.00 C ATOM 955 O ALA A 61 10.834 10.386 26.668 1.00 0.00 O ATOM 956 CB ALA A 61 10.710 12.747 29.055 1.00 0.00 C ATOM 0 H ALA A 61 9.491 11.215 30.590 1.00 0.00 H new ATOM 0 HA ALA A 61 9.189 11.862 27.847 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.183 13.249 28.211 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.019 13.433 29.545 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.475 12.434 29.766 1.00 0.00 H new ATOM 962 N ILE A 62 11.788 9.916 28.624 1.00 0.00 N ATOM 963 CA ILE A 62 12.739 9.000 27.997 1.00 0.00 C ATOM 964 C ILE A 62 11.982 8.032 27.078 1.00 0.00 C ATOM 965 O ILE A 62 12.440 7.724 25.978 1.00 0.00 O ATOM 966 CB ILE A 62 13.513 8.220 29.083 1.00 0.00 C ATOM 967 CG1 ILE A 62 14.631 9.101 29.656 1.00 0.00 C ATOM 968 CG2 ILE A 62 14.143 6.951 28.489 1.00 0.00 C ATOM 969 CD1 ILE A 62 14.021 10.305 30.372 1.00 0.00 C ATOM 0 H ILE A 62 11.876 10.012 29.636 1.00 0.00 H new ATOM 0 HA ILE A 62 13.456 9.567 27.403 1.00 0.00 H new ATOM 0 HB ILE A 62 12.812 7.942 29.870 1.00 0.00 H new ATOM 0 HG12 ILE A 62 15.242 8.524 30.350 1.00 0.00 H new ATOM 0 HG13 ILE A 62 15.289 9.437 28.855 1.00 0.00 H new ATOM 0 HG21 ILE A 62 14.684 6.414 29.268 1.00 0.00 H new ATOM 0 HG22 ILE A 62 13.359 6.311 28.085 1.00 0.00 H new ATOM 0 HG23 ILE A 62 14.833 7.226 27.692 1.00 0.00 H new ATOM 0 HD11 ILE A 62 14.817 10.929 30.778 1.00 0.00 H new ATOM 0 HD12 ILE A 62 13.429 10.887 29.666 1.00 0.00 H new ATOM 0 HD13 ILE A 62 13.381 9.960 31.184 1.00 0.00 H new ATOM 981 N GLN A 63 10.807 7.597 27.516 1.00 0.00 N ATOM 982 CA GLN A 63 9.976 6.710 26.703 1.00 0.00 C ATOM 983 C GLN A 63 9.452 7.427 25.455 1.00 0.00 C ATOM 984 O GLN A 63 9.471 6.871 24.356 1.00 0.00 O ATOM 985 CB GLN A 63 8.788 6.206 27.537 1.00 0.00 C ATOM 986 CG GLN A 63 7.865 5.346 26.667 1.00 0.00 C ATOM 987 CD GLN A 63 6.792 4.678 27.521 1.00 0.00 C ATOM 988 OE1 GLN A 63 7.106 3.946 28.459 1.00 0.00 O ATOM 989 NE2 GLN A 63 5.535 4.860 27.222 1.00 0.00 N ATOM 0 H GLN A 63 10.408 7.840 28.423 1.00 0.00 H new ATOM 0 HA GLN A 63 10.592 5.869 26.383 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.149 5.624 28.385 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.234 7.052 27.944 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.396 5.965 25.902 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.449 4.586 26.148 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.279 5.468 26.444 1.00 0.00 H new ATOM 0 HE22 GLN A 63 4.809 4.395 27.767 1.00 0.00 H new ATOM 998 N ARG A 64 8.998 8.660 25.630 1.00 0.00 N ATOM 999 CA ARG A 64 8.473 9.492 24.547 1.00 0.00 C ATOM 1000 C ARG A 64 9.579 10.140 23.705 1.00 0.00 C ATOM 1001 O ARG A 64 9.351 10.563 22.577 1.00 0.00 O ATOM 1002 CB ARG A 64 7.571 10.586 25.130 1.00 0.00 C ATOM 1003 CG ARG A 64 6.918 11.368 23.987 1.00 0.00 C ATOM 1004 CD ARG A 64 5.894 12.359 24.542 1.00 0.00 C ATOM 1005 NE ARG A 64 5.263 13.075 23.439 1.00 0.00 N ATOM 1006 CZ ARG A 64 5.831 14.146 22.892 1.00 0.00 C ATOM 1007 NH1 ARG A 64 6.923 14.640 23.409 1.00 0.00 N ATOM 1008 NH2 ARG A 64 5.298 14.702 21.839 1.00 0.00 N ATOM 0 H ARG A 64 8.982 9.121 26.540 1.00 0.00 H new ATOM 0 HA ARG A 64 7.905 8.836 23.887 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.805 10.141 25.765 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.155 11.258 25.758 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.681 11.901 23.420 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.431 10.679 23.297 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.140 11.831 25.125 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.382 13.064 25.215 1.00 0.00 H new ATOM 0 HE ARG A 64 4.367 12.747 23.079 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.340 14.205 24.232 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.359 15.461 22.990 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.445 14.315 21.435 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.734 15.523 21.420 1.00 0.00 H new ATOM 1022 N LYS A 65 10.763 10.239 24.299 1.00 0.00 N ATOM 1023 CA LYS A 65 11.927 10.874 23.674 1.00 0.00 C ATOM 1024 C LYS A 65 12.540 10.049 22.544 1.00 0.00 C ATOM 1025 O LYS A 65 12.988 10.578 21.529 1.00 0.00 O ATOM 1026 CB LYS A 65 13.007 11.051 24.749 1.00 0.00 C ATOM 1027 CG LYS A 65 14.137 11.944 24.210 1.00 0.00 C ATOM 1028 CD LYS A 65 15.282 12.031 25.229 1.00 0.00 C ATOM 1029 CE LYS A 65 14.887 12.933 26.404 1.00 0.00 C ATOM 1030 NZ LYS A 65 16.081 13.169 27.265 1.00 0.00 N ATOM 0 H LYS A 65 10.948 9.879 25.235 1.00 0.00 H new ATOM 0 HA LYS A 65 11.585 11.817 23.248 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.573 11.498 25.643 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.406 10.079 25.040 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.510 11.541 23.268 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.752 12.942 24.000 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.528 11.034 25.595 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.177 12.423 24.747 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.497 13.882 26.035 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.092 12.466 26.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.818 13.781 28.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.433 12.260 27.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.826 13.631 26.706 1.00 0.00 H new ATOM 1044 N ARG A 66 12.423 8.735 22.701 1.00 0.00 N ATOM 1045 CA ARG A 66 12.848 7.863 21.608 1.00 0.00 C ATOM 1046 C ARG A 66 11.736 7.925 20.567 1.00 0.00 C ATOM 1047 O ARG A 66 11.955 8.316 19.420 1.00 0.00 O ATOM 1048 CB ARG A 66 13.053 6.432 22.113 1.00 0.00 C ATOM 1049 CG ARG A 66 13.703 5.581 21.020 1.00 0.00 C ATOM 1050 CD ARG A 66 14.114 4.234 21.618 1.00 0.00 C ATOM 1051 NE ARG A 66 15.104 4.446 22.665 1.00 0.00 N ATOM 1052 CZ ARG A 66 15.497 3.460 23.465 1.00 0.00 C ATOM 1053 NH1 ARG A 66 15.017 2.257 23.300 1.00 0.00 N ATOM 1054 NH2 ARG A 66 16.362 3.693 24.414 1.00 0.00 N ATOM 0 H ARG A 66 12.057 8.266 23.530 1.00 0.00 H new ATOM 0 HA ARG A 66 13.800 8.182 21.184 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.682 6.438 23.003 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.096 5.999 22.402 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.006 5.430 20.196 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.574 6.093 20.612 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.241 3.725 22.027 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.524 3.590 20.841 1.00 0.00 H new ATOM 0 HE ARG A 66 15.506 5.375 22.788 1.00 0.00 H new ATOM 0 HH11 ARG A 66 14.341 2.075 22.558 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.318 1.499 23.913 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.737 4.633 24.543 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.663 2.935 25.027 1.00 0.00 H new ATOM 1068 N GLN A 67 10.545 7.522 20.988 1.00 0.00 N ATOM 1069 CA GLN A 67 9.367 7.499 20.130 1.00 0.00 C ATOM 1070 C GLN A 67 8.998 8.897 19.634 1.00 0.00 C ATOM 1071 O GLN A 67 8.158 9.054 18.754 1.00 0.00 O ATOM 1072 CB GLN A 67 8.183 6.931 20.920 1.00 0.00 C ATOM 1073 CG GLN A 67 8.447 5.456 21.231 1.00 0.00 C ATOM 1074 CD GLN A 67 7.240 4.839 21.931 1.00 0.00 C ATOM 1075 OE1 GLN A 67 6.107 5.007 21.479 1.00 0.00 O ATOM 1076 NE2 GLN A 67 7.419 4.105 22.995 1.00 0.00 N ATOM 0 H GLN A 67 10.367 7.200 21.939 1.00 0.00 H new ATOM 0 HA GLN A 67 9.595 6.877 19.264 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.045 7.491 21.845 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.263 7.035 20.345 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.657 4.915 20.309 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.330 5.363 21.863 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.359 3.967 23.367 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.619 3.669 23.454 1.00 0.00 H new ATOM 1085 N ALA A 68 9.585 9.907 20.275 1.00 0.00 N ATOM 1086 CA ALA A 68 9.251 11.302 19.959 1.00 0.00 C ATOM 1087 C ALA A 68 9.162 11.455 18.438 1.00 0.00 C ATOM 1088 O ALA A 68 8.266 12.118 17.915 1.00 0.00 O ATOM 1089 CB ALA A 68 10.358 12.233 20.486 1.00 0.00 C ATOM 0 H ALA A 68 10.286 9.792 21.007 1.00 0.00 H new ATOM 0 HA ALA A 68 8.301 11.564 20.425 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.107 13.267 20.250 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.446 12.119 21.566 1.00 0.00 H new ATOM 0 HB3 ALA A 68 11.306 11.973 20.015 1.00 0.00 H new ATOM 1095 N ASP A 69 10.057 10.762 17.744 1.00 0.00 N ATOM 1096 CA ASP A 69 10.026 10.749 16.286 1.00 0.00 C ATOM 1097 C ASP A 69 8.686 10.184 15.820 1.00 0.00 C ATOM 1098 O ASP A 69 7.957 10.834 15.072 1.00 0.00 O ATOM 1099 CB ASP A 69 11.134 9.819 15.784 1.00 0.00 C ATOM 1100 CG ASP A 69 11.150 9.810 14.260 1.00 0.00 C ATOM 1101 OD1 ASP A 69 10.216 10.335 13.677 1.00 0.00 O ATOM 1102 OD2 ASP A 69 12.094 9.281 13.698 1.00 0.00 O ATOM 0 H ASP A 69 10.805 10.208 18.161 1.00 0.00 H new ATOM 0 HA ASP A 69 10.164 11.760 15.903 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.100 10.151 16.165 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.972 8.809 16.161 1.00 0.00 H new ATOM 1107 N ALA A 70 8.370 8.969 16.256 1.00 0.00 N ATOM 1108 CA ALA A 70 7.118 8.325 15.864 1.00 0.00 C ATOM 1109 C ALA A 70 5.904 9.116 16.347 1.00 0.00 C ATOM 1110 O ALA A 70 4.909 9.239 15.632 1.00 0.00 O ATOM 1111 CB ALA A 70 7.062 6.908 16.437 1.00 0.00 C ATOM 0 H ALA A 70 8.958 8.412 16.877 1.00 0.00 H new ATOM 0 HA ALA A 70 7.089 8.289 14.775 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.127 6.433 16.142 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.901 6.327 16.054 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.119 6.953 17.525 1.00 0.00 H new ATOM 1117 N SER A 71 5.982 9.639 17.565 1.00 0.00 N ATOM 1118 CA SER A 71 4.875 10.400 18.130 1.00 0.00 C ATOM 1119 C SER A 71 3.643 9.508 18.259 1.00 0.00 C ATOM 1120 O SER A 71 2.676 9.662 17.514 1.00 0.00 O ATOM 1121 CB SER A 71 4.557 11.606 17.244 1.00 0.00 C ATOM 1122 OG SER A 71 3.823 12.560 18.000 1.00 0.00 O ATOM 0 H SER A 71 6.794 9.551 18.176 1.00 0.00 H new ATOM 0 HA SER A 71 5.161 10.757 19.119 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.479 12.052 16.871 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.980 11.292 16.374 1.00 0.00 H new ATOM 0 HG SER A 71 3.618 13.336 17.437 1.00 0.00 H new ATOM 1128 N SER A 72 3.702 8.565 19.200 1.00 0.00 N ATOM 1129 CA SER A 72 2.602 7.625 19.429 1.00 0.00 C ATOM 1130 C SER A 72 2.726 6.439 18.478 1.00 0.00 C ATOM 1131 O SER A 72 3.103 6.603 17.319 1.00 0.00 O ATOM 1132 CB SER A 72 1.246 8.313 19.227 1.00 0.00 C ATOM 1133 OG SER A 72 0.858 8.194 17.865 1.00 0.00 O ATOM 0 H SER A 72 4.502 8.431 19.818 1.00 0.00 H new ATOM 0 HA SER A 72 2.661 7.272 20.459 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.495 7.858 19.872 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.313 9.364 19.508 1.00 0.00 H new ATOM 0 HG SER A 72 1.583 8.515 17.289 1.00 0.00 H new ATOM 1139 N THR A 73 2.418 5.244 18.976 1.00 0.00 N ATOM 1140 CA THR A 73 2.516 4.040 18.158 1.00 0.00 C ATOM 1141 C THR A 73 1.655 4.174 16.891 1.00 0.00 C ATOM 1142 O THR A 73 0.428 4.183 16.988 1.00 0.00 O ATOM 1143 CB THR A 73 2.013 2.844 18.969 1.00 0.00 C ATOM 1144 OG1 THR A 73 2.857 2.646 20.094 1.00 0.00 O ATOM 1145 CG2 THR A 73 2.020 1.588 18.095 1.00 0.00 C ATOM 0 H THR A 73 2.102 5.085 19.933 1.00 0.00 H new ATOM 0 HA THR A 73 3.557 3.898 17.867 1.00 0.00 H new ATOM 0 HB THR A 73 0.996 3.040 19.308 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.534 1.881 20.615 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.661 0.738 18.676 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.369 1.740 17.234 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.035 1.390 17.751 1.00 0.00 H new ATOM 1153 N PRO A 74 2.240 4.253 15.706 1.00 0.00 N ATOM 1154 CA PRO A 74 1.443 4.355 14.440 1.00 0.00 C ATOM 1155 C PRO A 74 0.482 3.178 14.265 1.00 0.00 C ATOM 1156 O PRO A 74 0.821 2.036 14.577 1.00 0.00 O ATOM 1157 CB PRO A 74 2.511 4.356 13.330 1.00 0.00 C ATOM 1158 CG PRO A 74 3.755 4.832 13.999 1.00 0.00 C ATOM 1159 CD PRO A 74 3.694 4.277 15.418 1.00 0.00 C ATOM 0 HA PRO A 74 0.810 5.243 14.430 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.645 3.360 12.909 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.227 5.014 12.508 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.642 4.475 13.476 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.805 5.921 14.006 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.134 3.282 15.481 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.234 4.910 16.122 1.00 0.00 H new ATOM 1167 N LYS A 75 -0.706 3.464 13.747 1.00 0.00 N ATOM 1168 CA LYS A 75 -1.699 2.423 13.513 1.00 0.00 C ATOM 1169 C LYS A 75 -1.313 1.605 12.285 1.00 0.00 C ATOM 1170 O LYS A 75 -1.878 0.541 12.027 1.00 0.00 O ATOM 1171 CB LYS A 75 -3.081 3.055 13.304 1.00 0.00 C ATOM 1172 CG LYS A 75 -3.563 3.720 14.611 1.00 0.00 C ATOM 1173 CD LYS A 75 -4.293 2.697 15.505 1.00 0.00 C ATOM 1174 CE LYS A 75 -5.770 2.596 15.100 1.00 0.00 C ATOM 1175 NZ LYS A 75 -6.472 3.854 15.478 1.00 0.00 N ATOM 0 H LYS A 75 -1.004 4.403 13.482 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.736 1.766 14.382 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.034 3.796 12.506 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.794 2.293 12.990 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.711 4.138 15.148 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.231 4.549 14.378 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.817 1.721 15.416 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.215 2.996 16.550 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.854 2.428 14.026 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.237 1.743 15.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.479 3.654 15.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.050 4.240 16.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.378 4.548 14.709 1.00 0.00 H new ATOM 1189 N PHE A 76 -0.346 2.118 11.532 1.00 0.00 N ATOM 1190 CA PHE A 76 0.123 1.447 10.326 1.00 0.00 C ATOM 1191 C PHE A 76 0.829 0.140 10.675 1.00 0.00 C ATOM 1192 O PHE A 76 0.791 -0.821 9.907 1.00 0.00 O ATOM 1193 CB PHE A 76 1.083 2.362 9.565 1.00 0.00 C ATOM 1194 CG PHE A 76 0.311 3.522 8.986 1.00 0.00 C ATOM 1195 CD1 PHE A 76 -0.281 3.410 7.723 1.00 0.00 C ATOM 1196 CD2 PHE A 76 0.182 4.709 9.717 1.00 0.00 C ATOM 1197 CE1 PHE A 76 -1.002 4.485 7.190 1.00 0.00 C ATOM 1198 CE2 PHE A 76 -0.539 5.784 9.185 1.00 0.00 C ATOM 1199 CZ PHE A 76 -1.132 5.672 7.921 1.00 0.00 C ATOM 0 H PHE A 76 0.129 2.997 11.736 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.740 1.220 9.699 1.00 0.00 H new ATOM 0 HB2 PHE A 76 1.863 2.727 10.233 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.579 1.807 8.769 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.182 2.494 7.159 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.639 4.795 10.692 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.458 4.399 6.215 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.638 6.700 9.749 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.689 6.501 7.510 1.00 0.00 H new ATOM 1209 N ASN A 77 1.480 0.114 11.835 1.00 0.00 N ATOM 1210 CA ASN A 77 2.196 -1.080 12.267 1.00 0.00 C ATOM 1211 C ASN A 77 1.240 -2.264 12.381 1.00 0.00 C ATOM 1212 O ASN A 77 1.567 -3.379 11.978 1.00 0.00 O ATOM 1213 CB ASN A 77 2.859 -0.830 13.622 1.00 0.00 C ATOM 1214 CG ASN A 77 3.682 -2.046 14.032 1.00 0.00 C ATOM 1215 OD1 ASN A 77 4.611 -2.435 13.324 1.00 0.00 O ATOM 1216 ND2 ASN A 77 3.396 -2.674 15.139 1.00 0.00 N ATOM 0 H ASN A 77 1.526 0.898 12.486 1.00 0.00 H new ATOM 0 HA ASN A 77 2.960 -1.311 11.525 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.499 0.051 13.566 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.099 -0.624 14.376 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.942 -3.489 15.419 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.626 -2.350 15.725 1.00 0.00 H new ATOM 1223 N GLY A 78 0.055 -2.012 12.929 1.00 0.00 N ATOM 1224 CA GLY A 78 -0.941 -3.065 13.085 1.00 0.00 C ATOM 1225 C GLY A 78 -0.548 -4.033 14.196 1.00 0.00 C ATOM 1226 O GLY A 78 0.235 -3.692 15.082 1.00 0.00 O ATOM 0 H GLY A 78 -0.237 -1.096 13.270 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.911 -2.622 13.311 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.050 -3.609 12.147 1.00 0.00 H new ATOM 1230 N VAL A 79 -1.100 -5.240 14.142 1.00 0.00 N ATOM 1231 CA VAL A 79 -0.803 -6.254 15.148 1.00 0.00 C ATOM 1232 C VAL A 79 -1.151 -5.740 16.542 1.00 0.00 C ATOM 1233 O VAL A 79 -0.315 -5.752 17.446 1.00 0.00 O ATOM 1234 CB VAL A 79 0.681 -6.628 15.092 1.00 0.00 C ATOM 1235 CG1 VAL A 79 0.908 -7.949 15.831 1.00 0.00 C ATOM 1236 CG2 VAL A 79 1.111 -6.783 13.632 1.00 0.00 C ATOM 0 H VAL A 79 -1.752 -5.540 13.417 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.406 -7.137 14.938 1.00 0.00 H new ATOM 0 HB VAL A 79 1.270 -5.843 15.566 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.965 -8.212 15.789 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.602 -7.841 16.872 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.319 -8.736 15.359 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.167 -7.049 13.590 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.520 -7.568 13.160 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.953 -5.843 13.104 1.00 0.00 H new ATOM 1246 N LYS A 80 -2.390 -5.290 16.709 1.00 0.00 N ATOM 1247 CA LYS A 80 -2.839 -4.776 17.998 1.00 0.00 C ATOM 1248 C LYS A 80 -2.774 -5.865 19.064 1.00 0.00 C ATOM 1249 O LYS A 80 -2.705 -5.574 20.258 1.00 0.00 O ATOM 1250 CB LYS A 80 -4.271 -4.242 17.876 1.00 0.00 C ATOM 1251 CG LYS A 80 -5.232 -5.388 17.542 1.00 0.00 C ATOM 1252 CD LYS A 80 -6.643 -4.827 17.349 1.00 0.00 C ATOM 1253 CE LYS A 80 -7.594 -5.962 16.964 1.00 0.00 C ATOM 1254 NZ LYS A 80 -7.674 -6.944 18.082 1.00 0.00 N ATOM 0 H LYS A 80 -3.097 -5.271 15.974 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.178 -3.963 18.298 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.571 -3.766 18.809 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.318 -3.479 17.099 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.905 -5.900 16.637 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.229 -6.126 18.344 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.984 -4.348 18.267 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.639 -4.062 16.572 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.584 -5.563 16.745 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.242 -6.454 16.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.531 -7.524 17.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.835 -7.559 18.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.712 -6.436 18.989 1.00 0.00 H new ATOM 1268 N LYS A 81 -2.797 -7.118 18.623 1.00 0.00 N ATOM 1269 CA LYS A 81 -2.740 -8.246 19.546 1.00 0.00 C ATOM 1270 C LYS A 81 -3.874 -8.154 20.564 1.00 0.00 C ATOM 1271 O LYS A 81 -3.684 -7.496 21.574 1.00 0.00 O ATOM 1272 CB LYS A 81 -1.391 -8.259 20.271 1.00 0.00 C ATOM 1273 CG LYS A 81 -1.304 -9.483 21.187 1.00 0.00 C ATOM 1274 CD LYS A 81 0.061 -9.508 21.878 1.00 0.00 C ATOM 1275 CE LYS A 81 0.146 -10.729 22.796 1.00 0.00 C ATOM 1276 NZ LYS A 81 1.480 -10.758 23.461 1.00 0.00 N ATOM 1277 OXT LYS A 81 -4.913 -8.744 20.319 1.00 0.00 O ATOM 0 H LYS A 81 -2.854 -7.378 17.638 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.851 -9.170 18.978 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.578 -8.279 19.545 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -1.274 -7.347 20.856 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -2.100 -9.451 21.931 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.447 -10.395 20.607 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.857 -9.543 21.134 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.205 -8.595 22.456 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.645 -10.690 23.545 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.005 -11.642 22.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.539 -11.588 24.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.227 -10.814 22.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.607 -9.892 24.023 1.00 0.00 H new TER 1291 LYS A 81