USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 492 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 NoAdj-H: A 42 HIS HD1 : A 42 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 151:sc= 0.0093 (180deg=0) USER MOD Single : A 2 SER OG : rot 7:sc= 0.141 USER MOD Single : A 3 SER OG : rot 30:sc= 0.266 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 37:sc= 0.939 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.152 USER MOD Single : A 30 GLN : amide:sc= -0.477 X(o=-0.48,f=-0.48) USER MOD Single : A 31 ASN : amide:sc= -2.08! C(o=-2.1!,f=-4.1!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0191 USER MOD Single : A 38 THR OG1 : rot 122:sc= -0.127 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.759 X(o=-0.76,f=-0.9) USER MOD Single : A 52 SER OG : rot -52:sc= 0.884 USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00734) USER MOD Single : A 55 ASN : amide:sc= -0.798 K(o=-0.8,f=-4!) USER MOD Single : A 57 ASN : amide:sc= -0.589 K(o=-0.59,f=-4.4!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -140:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -157:sc= -0.0914 (180deg=-0.525) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.0093) USER MOD Single : A 68 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.51) USER MOD Single : A 69 LYS NZ :NH3+ 160:sc= -0.0273 (180deg=-0.213) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.888 0.350 -18.655 1.00 0.00 N ATOM 2 CA GLY A 1 -27.494 -0.498 -17.645 1.00 0.00 C ATOM 3 C GLY A 1 -27.221 -1.970 -17.884 1.00 0.00 C ATOM 4 O GLY A 1 -27.182 -2.423 -19.027 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.453 1.216 -18.766 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.922 0.602 -18.363 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.854 -0.159 -19.561 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.114 -0.216 -16.663 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.571 -0.329 -17.631 1.00 0.00 H new ATOM 8 N SER A 2 -27.032 -2.718 -16.802 1.00 0.00 N ATOM 9 CA SER A 2 -26.756 -4.147 -16.899 1.00 0.00 C ATOM 10 C SER A 2 -27.353 -4.897 -15.712 1.00 0.00 C ATOM 11 O SER A 2 -27.176 -4.501 -14.560 1.00 0.00 O ATOM 12 CB SER A 2 -25.247 -4.393 -16.966 1.00 0.00 C ATOM 13 OG SER A 2 -24.730 -4.042 -18.238 1.00 0.00 O ATOM 0 H SER A 2 -27.065 -2.359 -15.848 1.00 0.00 H new ATOM 0 HA SER A 2 -27.219 -4.521 -17.813 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.746 -3.811 -16.193 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.037 -5.443 -16.761 1.00 0.00 H new ATOM 0 HG SER A 2 -25.432 -3.610 -18.769 1.00 0.00 H new ATOM 19 N SER A 3 -28.060 -5.984 -16.003 1.00 0.00 N ATOM 20 CA SER A 3 -28.687 -6.789 -14.961 1.00 0.00 C ATOM 21 C SER A 3 -28.825 -8.242 -15.407 1.00 0.00 C ATOM 22 O SER A 3 -28.855 -8.537 -16.600 1.00 0.00 O ATOM 23 CB SER A 3 -30.063 -6.221 -14.606 1.00 0.00 C ATOM 24 OG SER A 3 -29.958 -5.216 -13.612 1.00 0.00 O ATOM 0 H SER A 3 -28.213 -6.328 -16.951 1.00 0.00 H new ATOM 0 HA SER A 3 -28.049 -6.756 -14.078 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.530 -5.806 -15.499 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.710 -7.023 -14.250 1.00 0.00 H new ATOM 0 HG SER A 3 -29.091 -4.767 -13.692 1.00 0.00 H new ATOM 30 N GLY A 4 -28.908 -9.147 -14.436 1.00 0.00 N ATOM 31 CA GLY A 4 -29.041 -10.558 -14.746 1.00 0.00 C ATOM 32 C GLY A 4 -28.827 -11.441 -13.533 1.00 0.00 C ATOM 33 O GLY A 4 -27.733 -11.481 -12.971 1.00 0.00 O ATOM 0 H GLY A 4 -28.885 -8.928 -13.440 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -30.033 -10.745 -15.157 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.321 -10.827 -15.519 1.00 0.00 H new ATOM 37 N SER A 5 -29.875 -12.150 -13.127 1.00 0.00 N ATOM 38 CA SER A 5 -29.799 -13.033 -11.969 1.00 0.00 C ATOM 39 C SER A 5 -28.562 -13.922 -12.044 1.00 0.00 C ATOM 40 O SER A 5 -28.493 -14.841 -12.860 1.00 0.00 O ATOM 41 CB SER A 5 -31.058 -13.898 -11.877 1.00 0.00 C ATOM 42 OG SER A 5 -32.134 -13.174 -11.306 1.00 0.00 O ATOM 0 H SER A 5 -30.787 -12.130 -13.583 1.00 0.00 H new ATOM 0 HA SER A 5 -29.726 -12.414 -11.075 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.337 -14.246 -12.871 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.852 -14.783 -11.276 1.00 0.00 H new ATOM 0 HG SER A 5 -32.927 -13.748 -11.260 1.00 0.00 H new ATOM 48 N SER A 6 -27.586 -13.640 -11.186 1.00 0.00 N ATOM 49 CA SER A 6 -26.348 -14.411 -11.157 1.00 0.00 C ATOM 50 C SER A 6 -25.721 -14.380 -9.766 1.00 0.00 C ATOM 51 O SER A 6 -25.699 -13.342 -9.106 1.00 0.00 O ATOM 52 CB SER A 6 -25.358 -13.865 -12.187 1.00 0.00 C ATOM 53 OG SER A 6 -24.268 -14.753 -12.368 1.00 0.00 O ATOM 0 H SER A 6 -27.629 -12.884 -10.502 1.00 0.00 H new ATOM 0 HA SER A 6 -26.587 -15.445 -11.406 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.867 -13.710 -13.138 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.989 -12.893 -11.861 1.00 0.00 H new ATOM 0 HG SER A 6 -23.651 -14.382 -13.032 1.00 0.00 H new ATOM 59 N GLY A 7 -25.213 -15.527 -9.327 1.00 0.00 N ATOM 60 CA GLY A 7 -24.593 -15.611 -8.018 1.00 0.00 C ATOM 61 C GLY A 7 -23.135 -16.019 -8.092 1.00 0.00 C ATOM 62 O GLY A 7 -22.741 -16.792 -8.966 1.00 0.00 O ATOM 0 H GLY A 7 -25.220 -16.400 -9.855 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.672 -14.645 -7.519 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.138 -16.331 -7.407 1.00 0.00 H new ATOM 66 N THR A 8 -22.328 -15.497 -7.172 1.00 0.00 N ATOM 67 CA THR A 8 -20.905 -15.808 -7.138 1.00 0.00 C ATOM 68 C THR A 8 -20.424 -16.028 -5.709 1.00 0.00 C ATOM 69 O THR A 8 -20.851 -15.334 -4.786 1.00 0.00 O ATOM 70 CB THR A 8 -20.069 -14.687 -7.783 1.00 0.00 C ATOM 71 OG1 THR A 8 -20.531 -14.435 -9.115 1.00 0.00 O ATOM 72 CG2 THR A 8 -18.595 -15.061 -7.814 1.00 0.00 C ATOM 0 H THR A 8 -22.637 -14.857 -6.441 1.00 0.00 H new ATOM 0 HA THR A 8 -20.769 -16.726 -7.709 1.00 0.00 H new ATOM 0 HB THR A 8 -20.186 -13.785 -7.182 1.00 0.00 H new ATOM 0 HG1 THR A 8 -19.995 -13.720 -9.517 1.00 0.00 H new ATOM 0 HG21 THR A 8 -18.024 -14.254 -8.274 1.00 0.00 H new ATOM 0 HG22 THR A 8 -18.239 -15.223 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 8 -18.464 -15.975 -8.394 1.00 0.00 H new ATOM 80 N GLY A 9 -19.531 -16.997 -5.531 1.00 0.00 N ATOM 81 CA GLY A 9 -19.007 -17.290 -4.210 1.00 0.00 C ATOM 82 C GLY A 9 -18.121 -16.180 -3.680 1.00 0.00 C ATOM 83 O GLY A 9 -17.019 -15.960 -4.184 1.00 0.00 O ATOM 0 H GLY A 9 -19.161 -17.584 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -19.836 -17.450 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -18.438 -18.219 -4.246 1.00 0.00 H new ATOM 87 N LEU A 10 -18.602 -15.478 -2.660 1.00 0.00 N ATOM 88 CA LEU A 10 -17.846 -14.383 -2.061 1.00 0.00 C ATOM 89 C LEU A 10 -16.589 -14.903 -1.371 1.00 0.00 C ATOM 90 O LEU A 10 -16.591 -15.159 -0.167 1.00 0.00 O ATOM 91 CB LEU A 10 -18.717 -13.626 -1.056 1.00 0.00 C ATOM 92 CG LEU A 10 -20.064 -13.124 -1.580 1.00 0.00 C ATOM 93 CD1 LEU A 10 -20.991 -12.781 -0.425 1.00 0.00 C ATOM 94 CD2 LEU A 10 -19.867 -11.917 -2.485 1.00 0.00 C ATOM 0 H LEU A 10 -19.512 -15.647 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 10 -17.546 -13.703 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.902 -14.278 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -18.151 -12.770 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 10 -20.525 -13.920 -2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -21.944 -12.426 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -21.157 -13.669 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -20.537 -12.002 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -20.835 -11.573 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -19.385 -11.116 -1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -19.240 -12.196 -3.332 1.00 0.00 H new ATOM 106 N ARG A 11 -15.517 -15.054 -2.141 1.00 0.00 N ATOM 107 CA ARG A 11 -14.253 -15.541 -1.604 1.00 0.00 C ATOM 108 C ARG A 11 -13.142 -14.515 -1.810 1.00 0.00 C ATOM 109 O ARG A 11 -12.907 -14.032 -2.918 1.00 0.00 O ATOM 110 CB ARG A 11 -13.868 -16.865 -2.268 1.00 0.00 C ATOM 111 CG ARG A 11 -14.845 -17.994 -1.986 1.00 0.00 C ATOM 112 CD ARG A 11 -14.421 -19.283 -2.674 1.00 0.00 C ATOM 113 NE ARG A 11 -14.414 -19.150 -4.128 1.00 0.00 N ATOM 114 CZ ARG A 11 -13.695 -19.925 -4.933 1.00 0.00 C ATOM 115 NH1 ARG A 11 -12.930 -20.883 -4.427 1.00 0.00 N ATOM 116 NH2 ARG A 11 -13.741 -19.742 -6.246 1.00 0.00 N ATOM 0 H ARG A 11 -15.499 -14.846 -3.139 1.00 0.00 H new ATOM 0 HA ARG A 11 -14.381 -15.702 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -13.800 -16.715 -3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.876 -17.159 -1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.911 -18.159 -0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -15.840 -17.709 -2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.426 -19.567 -2.331 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -15.098 -20.087 -2.387 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.992 -18.423 -4.549 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.893 -21.026 -3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.379 -21.477 -5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.328 -19.006 -6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.189 -20.337 -6.864 1.00 0.00 H new ATOM 130 N PRO A 12 -12.443 -14.173 -0.718 1.00 0.00 N ATOM 131 CA PRO A 12 -11.346 -13.201 -0.753 1.00 0.00 C ATOM 132 C PRO A 12 -10.122 -13.734 -1.490 1.00 0.00 C ATOM 133 O PRO A 12 -9.661 -14.844 -1.225 1.00 0.00 O ATOM 134 CB PRO A 12 -11.023 -12.976 0.726 1.00 0.00 C ATOM 135 CG PRO A 12 -11.471 -14.224 1.405 1.00 0.00 C ATOM 136 CD PRO A 12 -12.668 -14.708 0.635 1.00 0.00 C ATOM 0 HA PRO A 12 -11.625 -12.292 -1.286 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.957 -12.804 0.877 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.545 -12.103 1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -10.679 -14.973 1.407 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.729 -14.031 2.446 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.730 -15.796 0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.599 -14.337 1.064 1.00 0.00 H new ATOM 144 N SER A 13 -9.600 -12.936 -2.416 1.00 0.00 N ATOM 145 CA SER A 13 -8.431 -13.330 -3.194 1.00 0.00 C ATOM 146 C SER A 13 -7.212 -12.501 -2.800 1.00 0.00 C ATOM 147 O SER A 13 -7.288 -11.278 -2.692 1.00 0.00 O ATOM 148 CB SER A 13 -8.709 -13.170 -4.689 1.00 0.00 C ATOM 149 OG SER A 13 -9.692 -14.093 -5.127 1.00 0.00 O ATOM 0 H SER A 13 -9.968 -12.013 -2.646 1.00 0.00 H new ATOM 0 HA SER A 13 -8.220 -14.378 -2.982 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.044 -12.153 -4.893 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.788 -13.321 -5.252 1.00 0.00 H new ATOM 0 HG SER A 13 -9.853 -13.969 -6.086 1.00 0.00 H new ATOM 155 N GLY A 14 -6.087 -13.177 -2.588 1.00 0.00 N ATOM 156 CA GLY A 14 -4.868 -12.488 -2.209 1.00 0.00 C ATOM 157 C GLY A 14 -4.677 -12.432 -0.706 1.00 0.00 C ATOM 158 O GLY A 14 -5.631 -12.213 0.041 1.00 0.00 O ATOM 0 H GLY A 14 -5.998 -14.190 -2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.014 -12.991 -2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.889 -11.474 -2.608 1.00 0.00 H new ATOM 162 N THR A 15 -3.440 -12.630 -0.260 1.00 0.00 N ATOM 163 CA THR A 15 -3.127 -12.604 1.163 1.00 0.00 C ATOM 164 C THR A 15 -2.802 -11.189 1.628 1.00 0.00 C ATOM 165 O THR A 15 -1.643 -10.859 1.880 1.00 0.00 O ATOM 166 CB THR A 15 -1.940 -13.527 1.494 1.00 0.00 C ATOM 167 OG1 THR A 15 -2.227 -14.865 1.072 1.00 0.00 O ATOM 168 CG2 THR A 15 -1.644 -13.514 2.987 1.00 0.00 C ATOM 0 H THR A 15 -2.639 -12.810 -0.865 1.00 0.00 H new ATOM 0 HA THR A 15 -4.012 -12.962 1.688 1.00 0.00 H new ATOM 0 HB THR A 15 -1.063 -13.159 0.962 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.466 -15.445 1.285 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.802 -14.173 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.397 -12.500 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.521 -13.860 3.535 1.00 0.00 H new ATOM 176 N VAL A 16 -3.831 -10.356 1.741 1.00 0.00 N ATOM 177 CA VAL A 16 -3.655 -8.977 2.178 1.00 0.00 C ATOM 178 C VAL A 16 -4.142 -8.787 3.610 1.00 0.00 C ATOM 179 O VAL A 16 -4.897 -9.607 4.133 1.00 0.00 O ATOM 180 CB VAL A 16 -4.405 -7.996 1.258 1.00 0.00 C ATOM 181 CG1 VAL A 16 -3.938 -8.150 -0.182 1.00 0.00 C ATOM 182 CG2 VAL A 16 -5.908 -8.209 1.365 1.00 0.00 C ATOM 0 H VAL A 16 -4.797 -10.613 1.536 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.587 -8.764 2.130 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.181 -6.979 1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.479 -7.449 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.869 -7.944 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.130 -9.168 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.423 -7.507 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.153 -9.229 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.227 -8.043 2.394 1.00 0.00 H new ATOM 192 N SER A 17 -3.706 -7.700 4.239 1.00 0.00 N ATOM 193 CA SER A 17 -4.096 -7.404 5.612 1.00 0.00 C ATOM 194 C SER A 17 -3.589 -6.029 6.036 1.00 0.00 C ATOM 195 O SER A 17 -2.382 -5.801 6.130 1.00 0.00 O ATOM 196 CB SER A 17 -3.553 -8.475 6.561 1.00 0.00 C ATOM 197 OG SER A 17 -2.146 -8.372 6.694 1.00 0.00 O ATOM 0 H SER A 17 -3.083 -7.010 3.819 1.00 0.00 H new ATOM 0 HA SER A 17 -5.185 -7.402 5.662 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.023 -8.371 7.539 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.815 -9.464 6.186 1.00 0.00 H new ATOM 0 HG SER A 17 -1.885 -7.427 6.688 1.00 0.00 H new ATOM 203 N CYS A 18 -4.519 -5.115 6.291 1.00 0.00 N ATOM 204 CA CYS A 18 -4.169 -3.761 6.704 1.00 0.00 C ATOM 205 C CYS A 18 -4.224 -3.625 8.223 1.00 0.00 C ATOM 206 O CYS A 18 -5.272 -3.791 8.849 1.00 0.00 O ATOM 207 CB CYS A 18 -5.114 -2.748 6.056 1.00 0.00 C ATOM 208 SG CYS A 18 -4.829 -1.026 6.578 1.00 0.00 S ATOM 0 H CYS A 18 -5.522 -5.287 6.219 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.150 -3.559 6.375 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.009 -2.810 4.973 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.142 -3.023 6.293 1.00 0.00 H new ATOM 213 N PRO A 19 -3.070 -3.315 8.831 1.00 0.00 N ATOM 214 CA PRO A 19 -2.960 -3.149 10.283 1.00 0.00 C ATOM 215 C PRO A 19 -3.671 -1.894 10.779 1.00 0.00 C ATOM 216 O PRO A 19 -3.909 -1.736 11.977 1.00 0.00 O ATOM 217 CB PRO A 19 -1.451 -3.034 10.514 1.00 0.00 C ATOM 218 CG PRO A 19 -0.908 -2.522 9.225 1.00 0.00 C ATOM 219 CD PRO A 19 -1.783 -3.102 8.148 1.00 0.00 C ATOM 0 HA PRO A 19 -3.427 -3.973 10.823 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.227 -2.354 11.336 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.015 -3.999 10.771 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.927 -1.432 9.199 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.130 -2.826 9.090 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.885 -2.421 7.303 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.376 -4.035 7.759 1.00 0.00 H new ATOM 227 N ILE A 20 -4.008 -1.005 9.850 1.00 0.00 N ATOM 228 CA ILE A 20 -4.694 0.234 10.193 1.00 0.00 C ATOM 229 C ILE A 20 -6.160 -0.022 10.526 1.00 0.00 C ATOM 230 O ILE A 20 -6.581 0.119 11.675 1.00 0.00 O ATOM 231 CB ILE A 20 -4.611 1.259 9.047 1.00 0.00 C ATOM 232 CG1 ILE A 20 -3.184 1.332 8.501 1.00 0.00 C ATOM 233 CG2 ILE A 20 -5.071 2.628 9.526 1.00 0.00 C ATOM 234 CD1 ILE A 20 -2.200 1.962 9.462 1.00 0.00 C ATOM 0 H ILE A 20 -3.817 -1.120 8.855 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.191 0.640 11.070 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.272 0.936 8.242 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.846 0.325 8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.188 1.902 7.572 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.006 3.342 8.705 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.103 2.565 9.872 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.434 2.960 10.346 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.209 1.980 9.008 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.514 2.981 9.689 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.167 1.379 10.383 1.00 0.00 H new ATOM 246 N CYS A 21 -6.933 -0.401 9.514 1.00 0.00 N ATOM 247 CA CYS A 21 -8.352 -0.679 9.698 1.00 0.00 C ATOM 248 C CYS A 21 -8.569 -2.115 10.167 1.00 0.00 C ATOM 249 O CYS A 21 -9.680 -2.499 10.531 1.00 0.00 O ATOM 250 CB CYS A 21 -9.114 -0.437 8.394 1.00 0.00 C ATOM 251 SG CYS A 21 -8.487 -1.394 6.977 1.00 0.00 S ATOM 0 H CYS A 21 -6.600 -0.523 8.558 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.732 -0.003 10.464 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -10.164 -0.683 8.549 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.068 0.624 8.151 1.00 0.00 H new ATOM 256 N MET A 22 -7.499 -2.903 10.155 1.00 0.00 N ATOM 257 CA MET A 22 -7.572 -4.296 10.580 1.00 0.00 C ATOM 258 C MET A 22 -8.831 -4.965 10.039 1.00 0.00 C ATOM 259 O MET A 22 -9.612 -5.543 10.795 1.00 0.00 O ATOM 260 CB MET A 22 -7.547 -4.388 12.107 1.00 0.00 C ATOM 261 CG MET A 22 -6.161 -4.208 12.705 1.00 0.00 C ATOM 262 SD MET A 22 -6.144 -4.423 14.495 1.00 0.00 S ATOM 263 CE MET A 22 -4.667 -3.509 14.931 1.00 0.00 C ATOM 0 H MET A 22 -6.572 -2.601 9.856 1.00 0.00 H new ATOM 0 HA MET A 22 -6.704 -4.818 10.178 1.00 0.00 H new ATOM 0 HB2 MET A 22 -8.213 -3.630 12.519 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.941 -5.358 12.411 1.00 0.00 H new ATOM 0 HG2 MET A 22 -5.477 -4.925 12.250 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.790 -3.213 12.459 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.520 -3.549 16.010 1.00 0.00 H new ATOM 0 HE2 MET A 22 -3.805 -3.950 14.431 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.776 -2.471 14.618 1.00 0.00 H new ATOM 273 N ASP A 23 -9.022 -4.883 8.727 1.00 0.00 N ATOM 274 CA ASP A 23 -10.187 -5.480 8.085 1.00 0.00 C ATOM 275 C ASP A 23 -9.768 -6.363 6.913 1.00 0.00 C ATOM 276 O ASP A 23 -8.596 -6.406 6.543 1.00 0.00 O ATOM 277 CB ASP A 23 -11.145 -4.391 7.601 1.00 0.00 C ATOM 278 CG ASP A 23 -12.047 -3.880 8.708 1.00 0.00 C ATOM 279 OD1 ASP A 23 -12.436 -4.689 9.576 1.00 0.00 O ATOM 280 OD2 ASP A 23 -12.363 -2.672 8.706 1.00 0.00 O ATOM 0 H ASP A 23 -8.385 -4.409 8.087 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.698 -6.101 8.821 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.570 -3.560 7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.757 -4.784 6.790 1.00 0.00 H new ATOM 285 N GLY A 24 -10.736 -7.066 6.332 1.00 0.00 N ATOM 286 CA GLY A 24 -10.447 -7.939 5.210 1.00 0.00 C ATOM 287 C GLY A 24 -10.280 -7.176 3.910 1.00 0.00 C ATOM 288 O GLY A 24 -10.211 -5.947 3.909 1.00 0.00 O ATOM 0 H GLY A 24 -11.715 -7.046 6.619 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.537 -8.502 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.253 -8.665 5.101 1.00 0.00 H new ATOM 292 N TYR A 25 -10.214 -7.906 2.802 1.00 0.00 N ATOM 293 CA TYR A 25 -10.049 -7.291 1.491 1.00 0.00 C ATOM 294 C TYR A 25 -11.392 -6.823 0.936 1.00 0.00 C ATOM 295 O TYR A 25 -11.504 -5.721 0.399 1.00 0.00 O ATOM 296 CB TYR A 25 -9.400 -8.278 0.519 1.00 0.00 C ATOM 297 CG TYR A 25 -9.520 -7.867 -0.931 1.00 0.00 C ATOM 298 CD1 TYR A 25 -10.746 -7.898 -1.583 1.00 0.00 C ATOM 299 CD2 TYR A 25 -8.406 -7.448 -1.649 1.00 0.00 C ATOM 300 CE1 TYR A 25 -10.860 -7.524 -2.908 1.00 0.00 C ATOM 301 CE2 TYR A 25 -8.511 -7.071 -2.974 1.00 0.00 C ATOM 302 CZ TYR A 25 -9.740 -7.111 -3.599 1.00 0.00 C ATOM 303 OH TYR A 25 -9.849 -6.737 -4.919 1.00 0.00 O ATOM 0 H TYR A 25 -10.272 -8.924 2.786 1.00 0.00 H new ATOM 0 HA TYR A 25 -9.400 -6.423 1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.345 -8.384 0.772 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.859 -9.258 0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.625 -8.220 -1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.442 -7.417 -1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.821 -7.555 -3.400 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.636 -6.747 -3.517 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.968 -6.472 -5.258 1.00 0.00 H new ATOM 313 N SER A 26 -12.408 -7.669 1.072 1.00 0.00 N ATOM 314 CA SER A 26 -13.743 -7.345 0.583 1.00 0.00 C ATOM 315 C SER A 26 -14.300 -6.118 1.297 1.00 0.00 C ATOM 316 O SER A 26 -14.844 -5.213 0.665 1.00 0.00 O ATOM 317 CB SER A 26 -14.684 -8.535 0.779 1.00 0.00 C ATOM 318 OG SER A 26 -15.064 -8.665 2.138 1.00 0.00 O ATOM 0 H SER A 26 -12.332 -8.584 1.517 1.00 0.00 H new ATOM 0 HA SER A 26 -13.669 -7.122 -0.481 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.572 -8.406 0.160 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.193 -9.450 0.446 1.00 0.00 H new ATOM 0 HG SER A 26 -15.667 -9.431 2.237 1.00 0.00 H new ATOM 324 N GLU A 27 -14.160 -6.095 2.619 1.00 0.00 N ATOM 325 CA GLU A 27 -14.650 -4.980 3.420 1.00 0.00 C ATOM 326 C GLU A 27 -14.109 -3.653 2.895 1.00 0.00 C ATOM 327 O GLU A 27 -14.872 -2.728 2.613 1.00 0.00 O ATOM 328 CB GLU A 27 -14.251 -5.161 4.886 1.00 0.00 C ATOM 329 CG GLU A 27 -15.113 -6.166 5.632 1.00 0.00 C ATOM 330 CD GLU A 27 -14.898 -6.119 7.132 1.00 0.00 C ATOM 331 OE1 GLU A 27 -14.753 -5.003 7.675 1.00 0.00 O ATOM 332 OE2 GLU A 27 -14.875 -7.196 7.763 1.00 0.00 O ATOM 0 H GLU A 27 -13.711 -6.836 3.157 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.737 -4.964 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.210 -5.482 4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.311 -4.197 5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.163 -5.972 5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.892 -7.169 5.268 1.00 0.00 H new ATOM 339 N ILE A 28 -12.790 -3.569 2.766 1.00 0.00 N ATOM 340 CA ILE A 28 -12.147 -2.357 2.275 1.00 0.00 C ATOM 341 C ILE A 28 -12.841 -1.836 1.021 1.00 0.00 C ATOM 342 O ILE A 28 -13.389 -0.734 1.013 1.00 0.00 O ATOM 343 CB ILE A 28 -10.658 -2.596 1.962 1.00 0.00 C ATOM 344 CG1 ILE A 28 -9.885 -2.895 3.248 1.00 0.00 C ATOM 345 CG2 ILE A 28 -10.065 -1.390 1.249 1.00 0.00 C ATOM 346 CD1 ILE A 28 -8.603 -3.662 3.019 1.00 0.00 C ATOM 0 H ILE A 28 -12.145 -4.326 2.995 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.228 -1.614 3.068 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.576 -3.460 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.652 -1.955 3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.524 -3.465 3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.012 -1.575 1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.601 -1.220 0.315 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.157 -0.510 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.109 -3.838 3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.830 -4.618 2.547 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.944 -3.084 2.371 1.00 0.00 H new ATOM 358 N VAL A 29 -12.815 -2.638 -0.039 1.00 0.00 N ATOM 359 CA VAL A 29 -13.444 -2.260 -1.299 1.00 0.00 C ATOM 360 C VAL A 29 -14.944 -2.052 -1.124 1.00 0.00 C ATOM 361 O VAL A 29 -15.566 -1.291 -1.865 1.00 0.00 O ATOM 362 CB VAL A 29 -13.209 -3.326 -2.386 1.00 0.00 C ATOM 363 CG1 VAL A 29 -11.720 -3.559 -2.591 1.00 0.00 C ATOM 364 CG2 VAL A 29 -13.915 -4.623 -2.022 1.00 0.00 C ATOM 0 H VAL A 29 -12.365 -3.553 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.984 -1.323 -1.613 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.628 -2.962 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.573 -4.315 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.245 -2.628 -2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.273 -3.901 -1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.738 -5.365 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.528 -4.994 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.986 -4.441 -1.931 1.00 0.00 H new ATOM 374 N GLN A 30 -15.519 -2.732 -0.137 1.00 0.00 N ATOM 375 CA GLN A 30 -16.947 -2.622 0.136 1.00 0.00 C ATOM 376 C GLN A 30 -17.371 -1.160 0.236 1.00 0.00 C ATOM 377 O GLN A 30 -18.285 -0.720 -0.460 1.00 0.00 O ATOM 378 CB GLN A 30 -17.299 -3.357 1.430 1.00 0.00 C ATOM 379 CG GLN A 30 -18.697 -3.955 1.430 1.00 0.00 C ATOM 380 CD GLN A 30 -18.974 -4.790 0.196 1.00 0.00 C ATOM 381 OE1 GLN A 30 -18.382 -5.854 0.006 1.00 0.00 O ATOM 382 NE2 GLN A 30 -19.877 -4.313 -0.652 1.00 0.00 N ATOM 0 H GLN A 30 -15.018 -3.365 0.487 1.00 0.00 H new ATOM 0 HA GLN A 30 -17.486 -3.082 -0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.573 -4.153 1.595 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -17.209 -2.665 2.267 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -18.824 -4.574 2.319 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -19.432 -3.152 1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -20.343 -3.427 -0.455 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -20.104 -4.832 -1.500 1.00 0.00 H new ATOM 391 N ASN A 31 -16.699 -0.413 1.106 1.00 0.00 N ATOM 392 CA ASN A 31 -17.007 1.000 1.298 1.00 0.00 C ATOM 393 C ASN A 31 -16.520 1.828 0.113 1.00 0.00 C ATOM 394 O ASN A 31 -17.176 2.784 -0.300 1.00 0.00 O ATOM 395 CB ASN A 31 -16.367 1.511 2.590 1.00 0.00 C ATOM 396 CG ASN A 31 -16.684 2.971 2.854 1.00 0.00 C ATOM 397 OD1 ASN A 31 -16.836 3.762 1.924 1.00 0.00 O ATOM 398 ND2 ASN A 31 -16.786 3.333 4.127 1.00 0.00 N ATOM 0 H ASN A 31 -15.938 -0.762 1.689 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.090 1.105 1.371 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.717 0.909 3.428 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.286 1.381 2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.998 4.301 4.366 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.652 2.643 4.866 1.00 0.00 H new ATOM 405 N GLY A 32 -15.365 1.454 -0.429 1.00 0.00 N ATOM 406 CA GLY A 32 -14.811 2.172 -1.561 1.00 0.00 C ATOM 407 C GLY A 32 -13.295 2.176 -1.559 1.00 0.00 C ATOM 408 O GLY A 32 -12.666 2.237 -2.616 1.00 0.00 O ATOM 0 H GLY A 32 -14.804 0.667 -0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -15.169 1.719 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -15.174 3.200 -1.549 1.00 0.00 H new ATOM 412 N ARG A 33 -12.706 2.112 -0.369 1.00 0.00 N ATOM 413 CA ARG A 33 -11.254 2.112 -0.234 1.00 0.00 C ATOM 414 C ARG A 33 -10.621 1.092 -1.176 1.00 0.00 C ATOM 415 O ARG A 33 -11.258 0.114 -1.568 1.00 0.00 O ATOM 416 CB ARG A 33 -10.856 1.804 1.211 1.00 0.00 C ATOM 417 CG ARG A 33 -11.197 2.918 2.187 1.00 0.00 C ATOM 418 CD ARG A 33 -10.485 2.731 3.517 1.00 0.00 C ATOM 419 NE ARG A 33 -11.211 1.826 4.405 1.00 0.00 N ATOM 420 CZ ARG A 33 -12.252 2.198 5.141 1.00 0.00 C ATOM 421 NH1 ARG A 33 -12.686 3.450 5.096 1.00 0.00 N ATOM 422 NH2 ARG A 33 -12.861 1.317 5.924 1.00 0.00 N ATOM 0 H ARG A 33 -13.212 2.060 0.515 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.888 3.103 -0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.355 0.888 1.529 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.784 1.613 1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.918 3.879 1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.274 2.943 2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.484 2.339 3.340 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.367 3.699 4.004 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.902 0.856 4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.220 4.130 4.495 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.486 3.733 5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.530 0.353 5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.660 1.604 6.489 1.00 0.00 H new ATOM 436 N LEU A 34 -9.364 1.327 -1.535 1.00 0.00 N ATOM 437 CA LEU A 34 -8.644 0.430 -2.432 1.00 0.00 C ATOM 438 C LEU A 34 -7.445 -0.197 -1.727 1.00 0.00 C ATOM 439 O LEU A 34 -7.069 0.220 -0.632 1.00 0.00 O ATOM 440 CB LEU A 34 -8.179 1.186 -3.678 1.00 0.00 C ATOM 441 CG LEU A 34 -9.145 1.184 -4.863 1.00 0.00 C ATOM 442 CD1 LEU A 34 -9.510 -0.240 -5.251 1.00 0.00 C ATOM 443 CD2 LEU A 34 -10.395 1.987 -4.535 1.00 0.00 C ATOM 0 H LEU A 34 -8.822 2.131 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.325 -0.367 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.981 2.221 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.232 0.758 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.649 1.654 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.198 -0.222 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.607 -0.784 -5.530 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.986 -0.737 -4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.071 1.974 -5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.894 1.547 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.117 3.016 -4.308 1.00 0.00 H new ATOM 455 N ILE A 35 -6.850 -1.200 -2.363 1.00 0.00 N ATOM 456 CA ILE A 35 -5.692 -1.882 -1.799 1.00 0.00 C ATOM 457 C ILE A 35 -4.393 -1.326 -2.372 1.00 0.00 C ATOM 458 O ILE A 35 -4.254 -1.168 -3.585 1.00 0.00 O ATOM 459 CB ILE A 35 -5.748 -3.398 -2.061 1.00 0.00 C ATOM 460 CG1 ILE A 35 -7.052 -3.984 -1.516 1.00 0.00 C ATOM 461 CG2 ILE A 35 -4.547 -4.090 -1.434 1.00 0.00 C ATOM 462 CD1 ILE A 35 -7.211 -3.817 -0.021 1.00 0.00 C ATOM 0 H ILE A 35 -7.151 -1.559 -3.269 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.716 -1.707 -0.723 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.718 -3.566 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.893 -3.507 -2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.095 -5.045 -1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.602 -5.161 -1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.630 -3.689 -1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.548 -3.916 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.157 -4.255 0.295 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.390 -4.319 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.201 -2.756 0.230 1.00 0.00 H new ATOM 474 N VAL A 36 -3.441 -1.033 -1.492 1.00 0.00 N ATOM 475 CA VAL A 36 -2.151 -0.497 -1.910 1.00 0.00 C ATOM 476 C VAL A 36 -1.005 -1.201 -1.191 1.00 0.00 C ATOM 477 O VAL A 36 -1.228 -2.050 -0.329 1.00 0.00 O ATOM 478 CB VAL A 36 -2.058 1.017 -1.642 1.00 0.00 C ATOM 479 CG1 VAL A 36 -2.909 1.788 -2.639 1.00 0.00 C ATOM 480 CG2 VAL A 36 -2.478 1.331 -0.214 1.00 0.00 C ATOM 0 H VAL A 36 -3.539 -1.158 -0.484 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.067 -0.674 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.021 1.329 -1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.831 2.856 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.557 1.586 -3.651 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.949 1.476 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.406 2.405 -0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.507 1.006 -0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.822 0.807 0.482 1.00 0.00 H new ATOM 490 N SER A 37 0.222 -0.840 -1.552 1.00 0.00 N ATOM 491 CA SER A 37 1.405 -1.439 -0.945 1.00 0.00 C ATOM 492 C SER A 37 2.490 -0.391 -0.720 1.00 0.00 C ATOM 493 O SER A 37 2.541 0.626 -1.413 1.00 0.00 O ATOM 494 CB SER A 37 1.943 -2.567 -1.828 1.00 0.00 C ATOM 495 OG SER A 37 3.222 -2.992 -1.389 1.00 0.00 O ATOM 0 H SER A 37 0.423 -0.136 -2.262 1.00 0.00 H new ATOM 0 HA SER A 37 1.117 -1.851 0.022 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.251 -3.409 -1.810 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.004 -2.226 -2.862 1.00 0.00 H new ATOM 0 HG SER A 37 3.543 -3.714 -1.968 1.00 0.00 H new ATOM 501 N THR A 38 3.359 -0.646 0.254 1.00 0.00 N ATOM 502 CA THR A 38 4.443 0.274 0.571 1.00 0.00 C ATOM 503 C THR A 38 5.791 -0.297 0.147 1.00 0.00 C ATOM 504 O THR A 38 5.860 -1.370 -0.451 1.00 0.00 O ATOM 505 CB THR A 38 4.485 0.594 2.077 1.00 0.00 C ATOM 506 OG1 THR A 38 4.111 -0.562 2.835 1.00 0.00 O ATOM 507 CG2 THR A 38 3.553 1.749 2.411 1.00 0.00 C ATOM 0 H THR A 38 3.332 -1.483 0.837 1.00 0.00 H new ATOM 0 HA THR A 38 4.250 1.192 0.017 1.00 0.00 H new ATOM 0 HB THR A 38 5.504 0.883 2.336 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.839 -0.803 3.445 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.600 1.957 3.480 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.859 2.636 1.855 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.532 1.483 2.137 1.00 0.00 H new ATOM 515 N GLU A 39 6.861 0.427 0.462 1.00 0.00 N ATOM 516 CA GLU A 39 8.208 -0.010 0.112 1.00 0.00 C ATOM 517 C GLU A 39 8.695 -1.092 1.072 1.00 0.00 C ATOM 518 O GLU A 39 8.958 -2.225 0.667 1.00 0.00 O ATOM 519 CB GLU A 39 9.173 1.177 0.131 1.00 0.00 C ATOM 520 CG GLU A 39 8.674 2.380 -0.651 1.00 0.00 C ATOM 521 CD GLU A 39 7.640 3.184 0.113 1.00 0.00 C ATOM 522 OE1 GLU A 39 7.814 3.364 1.337 1.00 0.00 O ATOM 523 OE2 GLU A 39 6.658 3.634 -0.513 1.00 0.00 O ATOM 0 H GLU A 39 6.821 1.317 0.958 1.00 0.00 H new ATOM 0 HA GLU A 39 8.178 -0.428 -0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.350 1.474 1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.133 0.861 -0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.518 3.023 -0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.243 2.043 -1.593 1.00 0.00 H new ATOM 530 N CYS A 40 8.815 -0.734 2.346 1.00 0.00 N ATOM 531 CA CYS A 40 9.272 -1.671 3.365 1.00 0.00 C ATOM 532 C CYS A 40 8.772 -3.082 3.069 1.00 0.00 C ATOM 533 O CYS A 40 9.516 -4.055 3.193 1.00 0.00 O ATOM 534 CB CYS A 40 8.791 -1.228 4.748 1.00 0.00 C ATOM 535 SG CYS A 40 6.982 -1.271 4.956 1.00 0.00 S ATOM 0 H CYS A 40 8.602 0.199 2.697 1.00 0.00 H new ATOM 0 HA CYS A 40 10.362 -1.680 3.352 1.00 0.00 H new ATOM 0 HB2 CYS A 40 9.248 -1.869 5.502 1.00 0.00 H new ATOM 0 HB3 CYS A 40 9.143 -0.214 4.936 1.00 0.00 H new ATOM 540 N GLY A 41 7.506 -3.186 2.676 1.00 0.00 N ATOM 541 CA GLY A 41 6.928 -4.481 2.368 1.00 0.00 C ATOM 542 C GLY A 41 5.650 -4.744 3.139 1.00 0.00 C ATOM 543 O GLY A 41 5.318 -5.893 3.432 1.00 0.00 O ATOM 0 H GLY A 41 6.870 -2.396 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.722 -4.538 1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.653 -5.262 2.595 1.00 0.00 H new ATOM 547 N HIS A 42 4.931 -3.676 3.472 1.00 0.00 N ATOM 548 CA HIS A 42 3.682 -3.797 4.216 1.00 0.00 C ATOM 549 C HIS A 42 2.484 -3.523 3.313 1.00 0.00 C ATOM 550 O HIS A 42 2.638 -3.074 2.177 1.00 0.00 O ATOM 551 CB HIS A 42 3.675 -2.831 5.401 1.00 0.00 C ATOM 552 CG HIS A 42 4.457 -3.322 6.580 1.00 0.00 C ATOM 553 ND1 HIS A 42 5.113 -2.479 7.452 1.00 0.00 N ATOM 554 CD2 HIS A 42 4.686 -4.579 7.029 1.00 0.00 C ATOM 555 CE1 HIS A 42 5.712 -3.196 8.386 1.00 0.00 C ATOM 556 NE2 HIS A 42 5.468 -4.473 8.153 1.00 0.00 N ATOM 0 H HIS A 42 5.192 -2.718 3.239 1.00 0.00 H new ATOM 0 HA HIS A 42 3.607 -4.818 4.589 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.082 -1.872 5.080 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.644 -2.653 5.708 1.00 0.00 H new ATOM 0 HD2 HIS A 42 4.322 -5.494 6.586 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.301 -2.804 9.202 1.00 0.00 H new ATOM 0 HE2 HIS A 42 5.805 -5.254 8.716 1.00 0.00 H new ATOM 564 N VAL A 43 1.288 -3.798 3.826 1.00 0.00 N ATOM 565 CA VAL A 43 0.063 -3.580 3.066 1.00 0.00 C ATOM 566 C VAL A 43 -0.836 -2.558 3.753 1.00 0.00 C ATOM 567 O VAL A 43 -0.882 -2.482 4.981 1.00 0.00 O ATOM 568 CB VAL A 43 -0.722 -4.893 2.879 1.00 0.00 C ATOM 569 CG1 VAL A 43 -2.027 -4.635 2.142 1.00 0.00 C ATOM 570 CG2 VAL A 43 0.124 -5.917 2.138 1.00 0.00 C ATOM 0 H VAL A 43 1.142 -4.172 4.764 1.00 0.00 H new ATOM 0 HA VAL A 43 0.360 -3.199 2.089 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.962 -5.296 3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.567 -5.574 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.637 -3.937 2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.813 -4.209 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.445 -6.838 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.396 -5.524 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.029 -6.124 2.710 1.00 0.00 H new ATOM 580 N PHE A 44 -1.549 -1.773 2.952 1.00 0.00 N ATOM 581 CA PHE A 44 -2.447 -0.754 3.482 1.00 0.00 C ATOM 582 C PHE A 44 -3.532 -0.403 2.468 1.00 0.00 C ATOM 583 O PHE A 44 -3.534 -0.908 1.344 1.00 0.00 O ATOM 584 CB PHE A 44 -1.660 0.503 3.859 1.00 0.00 C ATOM 585 CG PHE A 44 -0.501 0.232 4.775 1.00 0.00 C ATOM 586 CD1 PHE A 44 -0.682 0.189 6.149 1.00 0.00 C ATOM 587 CD2 PHE A 44 0.769 0.021 4.264 1.00 0.00 C ATOM 588 CE1 PHE A 44 0.383 -0.060 6.994 1.00 0.00 C ATOM 589 CE2 PHE A 44 1.838 -0.228 5.104 1.00 0.00 C ATOM 590 CZ PHE A 44 1.644 -0.269 6.471 1.00 0.00 C ATOM 0 H PHE A 44 -1.522 -1.823 1.934 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.926 -1.157 4.375 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.291 0.977 2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.333 1.213 4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.666 0.352 6.563 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.926 0.051 3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.229 -0.091 8.063 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.823 -0.390 4.692 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.477 -0.464 7.130 1.00 0.00 H new ATOM 600 N CYS A 45 -4.453 0.465 2.872 1.00 0.00 N ATOM 601 CA CYS A 45 -5.545 0.883 2.001 1.00 0.00 C ATOM 602 C CYS A 45 -5.253 2.247 1.381 1.00 0.00 C ATOM 603 O CYS A 45 -4.274 2.904 1.734 1.00 0.00 O ATOM 604 CB CYS A 45 -6.858 0.937 2.783 1.00 0.00 C ATOM 605 SG CYS A 45 -7.268 -0.609 3.656 1.00 0.00 S ATOM 0 H CYS A 45 -4.465 0.893 3.798 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.638 0.150 1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.803 1.748 3.509 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.668 1.179 2.095 1.00 0.00 H new ATOM 610 N SER A 46 -6.110 2.664 0.454 1.00 0.00 N ATOM 611 CA SER A 46 -5.943 3.948 -0.218 1.00 0.00 C ATOM 612 C SER A 46 -6.091 5.101 0.769 1.00 0.00 C ATOM 613 O SER A 46 -5.318 6.059 0.740 1.00 0.00 O ATOM 614 CB SER A 46 -6.965 4.093 -1.347 1.00 0.00 C ATOM 615 OG SER A 46 -6.987 5.418 -1.848 1.00 0.00 O ATOM 0 H SER A 46 -6.926 2.132 0.151 1.00 0.00 H new ATOM 0 HA SER A 46 -4.939 3.981 -0.640 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.722 3.400 -2.153 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.956 3.822 -0.982 1.00 0.00 H new ATOM 0 HG SER A 46 -7.647 5.484 -2.569 1.00 0.00 H new ATOM 621 N GLN A 47 -7.089 5.002 1.641 1.00 0.00 N ATOM 622 CA GLN A 47 -7.339 6.037 2.637 1.00 0.00 C ATOM 623 C GLN A 47 -6.373 5.908 3.810 1.00 0.00 C ATOM 624 O GLN A 47 -5.661 6.854 4.149 1.00 0.00 O ATOM 625 CB GLN A 47 -8.782 5.955 3.137 1.00 0.00 C ATOM 626 CG GLN A 47 -9.184 7.119 4.028 1.00 0.00 C ATOM 627 CD GLN A 47 -8.818 6.894 5.482 1.00 0.00 C ATOM 628 OE1 GLN A 47 -9.165 5.869 6.070 1.00 0.00 O ATOM 629 NE2 GLN A 47 -8.114 7.853 6.071 1.00 0.00 N ATOM 0 H GLN A 47 -7.738 4.216 1.678 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.181 7.007 2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.453 5.916 2.279 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.915 5.024 3.688 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.700 8.028 3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.259 7.278 3.948 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.848 8.686 5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -7.839 7.757 7.049 1.00 0.00 H new ATOM 638 N CYS A 48 -6.355 4.732 4.428 1.00 0.00 N ATOM 639 CA CYS A 48 -5.478 4.478 5.565 1.00 0.00 C ATOM 640 C CYS A 48 -4.086 5.053 5.317 1.00 0.00 C ATOM 641 O CYS A 48 -3.694 6.046 5.930 1.00 0.00 O ATOM 642 CB CYS A 48 -5.380 2.976 5.835 1.00 0.00 C ATOM 643 SG CYS A 48 -6.988 2.164 6.113 1.00 0.00 S ATOM 0 H CYS A 48 -6.938 3.939 4.160 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.905 4.970 6.439 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.885 2.497 4.990 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.748 2.815 6.708 1.00 0.00 H new ATOM 648 N LEU A 49 -3.344 4.422 4.413 1.00 0.00 N ATOM 649 CA LEU A 49 -1.996 4.870 4.083 1.00 0.00 C ATOM 650 C LEU A 49 -1.952 6.384 3.908 1.00 0.00 C ATOM 651 O LEU A 49 -1.151 7.070 4.543 1.00 0.00 O ATOM 652 CB LEU A 49 -1.508 4.183 2.806 1.00 0.00 C ATOM 653 CG LEU A 49 0.007 4.140 2.604 1.00 0.00 C ATOM 654 CD1 LEU A 49 0.677 3.390 3.745 1.00 0.00 C ATOM 655 CD2 LEU A 49 0.349 3.497 1.267 1.00 0.00 C ATOM 0 H LEU A 49 -3.653 3.599 3.896 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.338 4.600 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.884 3.160 2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.954 4.691 1.951 1.00 0.00 H new ATOM 0 HG LEU A 49 0.383 5.163 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.755 3.370 3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.460 3.893 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.297 2.369 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.431 3.475 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.040 2.479 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.099 4.076 0.460 1.00 0.00 H new ATOM 667 N ARG A 50 -2.821 6.900 3.044 1.00 0.00 N ATOM 668 CA ARG A 50 -2.882 8.334 2.787 1.00 0.00 C ATOM 669 C ARG A 50 -2.815 9.124 4.091 1.00 0.00 C ATOM 670 O ARG A 50 -2.107 10.127 4.185 1.00 0.00 O ATOM 671 CB ARG A 50 -4.166 8.683 2.032 1.00 0.00 C ATOM 672 CG ARG A 50 -4.157 10.078 1.428 1.00 0.00 C ATOM 673 CD ARG A 50 -4.623 11.122 2.430 1.00 0.00 C ATOM 674 NE ARG A 50 -4.339 12.481 1.977 1.00 0.00 N ATOM 675 CZ ARG A 50 -5.099 13.142 1.111 1.00 0.00 C ATOM 676 NH1 ARG A 50 -6.185 12.572 0.608 1.00 0.00 N ATOM 677 NH2 ARG A 50 -4.774 14.376 0.747 1.00 0.00 N ATOM 0 H ARG A 50 -3.492 6.347 2.511 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.022 8.605 2.174 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.320 7.953 1.237 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.013 8.596 2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.150 10.322 1.088 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.804 10.100 0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.695 11.012 2.596 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.132 10.949 3.388 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.511 12.949 2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.439 11.624 0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.767 13.082 -0.057 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.940 14.818 1.132 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.359 14.882 0.082 1.00 0.00 H new ATOM 691 N ASP A 51 -3.555 8.664 5.093 1.00 0.00 N ATOM 692 CA ASP A 51 -3.580 9.327 6.392 1.00 0.00 C ATOM 693 C ASP A 51 -2.216 9.242 7.071 1.00 0.00 C ATOM 694 O ASP A 51 -1.723 10.227 7.621 1.00 0.00 O ATOM 695 CB ASP A 51 -4.649 8.701 7.288 1.00 0.00 C ATOM 696 CG ASP A 51 -4.961 9.555 8.502 1.00 0.00 C ATOM 697 OD1 ASP A 51 -4.271 9.398 9.531 1.00 0.00 O ATOM 698 OD2 ASP A 51 -5.893 10.382 8.421 1.00 0.00 O ATOM 0 H ASP A 51 -4.146 7.835 5.031 1.00 0.00 H new ATOM 0 HA ASP A 51 -3.822 10.378 6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.561 8.550 6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.313 7.717 7.616 1.00 0.00 H new ATOM 703 N SER A 52 -1.613 8.059 7.030 1.00 0.00 N ATOM 704 CA SER A 52 -0.308 7.844 7.645 1.00 0.00 C ATOM 705 C SER A 52 0.733 8.791 7.056 1.00 0.00 C ATOM 706 O SER A 52 1.579 9.326 7.774 1.00 0.00 O ATOM 707 CB SER A 52 0.138 6.393 7.451 1.00 0.00 C ATOM 708 OG SER A 52 0.509 6.149 6.106 1.00 0.00 O ATOM 0 H SER A 52 -2.007 7.234 6.577 1.00 0.00 H new ATOM 0 HA SER A 52 -0.398 8.049 8.712 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.980 6.177 8.109 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.670 5.720 7.736 1.00 0.00 H new ATOM 0 HG SER A 52 -0.213 6.439 5.510 1.00 0.00 H new ATOM 714 N LEU A 53 0.665 8.993 5.745 1.00 0.00 N ATOM 715 CA LEU A 53 1.601 9.876 5.058 1.00 0.00 C ATOM 716 C LEU A 53 1.519 11.294 5.612 1.00 0.00 C ATOM 717 O LEU A 53 2.538 11.907 5.934 1.00 0.00 O ATOM 718 CB LEU A 53 1.314 9.886 3.555 1.00 0.00 C ATOM 719 CG LEU A 53 2.107 8.886 2.713 1.00 0.00 C ATOM 720 CD1 LEU A 53 1.719 7.460 3.071 1.00 0.00 C ATOM 721 CD2 LEU A 53 1.887 9.145 1.230 1.00 0.00 C ATOM 0 H LEU A 53 -0.028 8.558 5.136 1.00 0.00 H new ATOM 0 HA LEU A 53 2.609 9.498 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.252 9.693 3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.512 10.888 3.174 1.00 0.00 H new ATOM 0 HG LEU A 53 3.167 9.017 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.294 6.763 2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.930 7.279 4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.655 7.314 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.459 8.424 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.827 9.043 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.217 10.154 0.984 1.00 0.00 H new ATOM 733 N LYS A 54 0.300 11.811 5.724 1.00 0.00 N ATOM 734 CA LYS A 54 0.084 13.156 6.243 1.00 0.00 C ATOM 735 C LYS A 54 0.252 13.188 7.758 1.00 0.00 C ATOM 736 O LYS A 54 0.606 14.218 8.331 1.00 0.00 O ATOM 737 CB LYS A 54 -1.314 13.653 5.864 1.00 0.00 C ATOM 738 CG LYS A 54 -2.436 12.878 6.532 1.00 0.00 C ATOM 739 CD LYS A 54 -3.657 13.753 6.763 1.00 0.00 C ATOM 740 CE LYS A 54 -4.905 12.917 7.002 1.00 0.00 C ATOM 741 NZ LYS A 54 -5.541 12.491 5.725 1.00 0.00 N ATOM 0 H LYS A 54 -0.554 11.318 5.462 1.00 0.00 H new ATOM 0 HA LYS A 54 0.830 13.814 5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.401 14.706 6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.433 13.588 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.710 12.025 5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.087 12.479 7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.483 14.403 7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.811 14.400 5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.645 12.036 7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.620 13.492 7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.368 11.896 5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.843 13.331 5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.856 11.949 5.160 1.00 0.00 H new ATOM 755 N ASN A 55 -0.002 12.053 8.402 1.00 0.00 N ATOM 756 CA ASN A 55 0.122 11.952 9.851 1.00 0.00 C ATOM 757 C ASN A 55 1.589 11.932 10.271 1.00 0.00 C ATOM 758 O ASN A 55 2.059 12.833 10.965 1.00 0.00 O ATOM 759 CB ASN A 55 -0.582 10.692 10.357 1.00 0.00 C ATOM 760 CG ASN A 55 -0.601 10.609 11.872 1.00 0.00 C ATOM 761 OD1 ASN A 55 0.218 11.230 12.549 1.00 0.00 O ATOM 762 ND2 ASN A 55 -1.539 9.838 12.410 1.00 0.00 N ATOM 0 H ASN A 55 -0.295 11.191 7.943 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.353 12.828 10.294 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.605 10.675 9.982 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.081 9.812 9.954 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.601 9.742 13.424 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.197 9.341 11.810 1.00 0.00 H new ATOM 769 N ALA A 56 2.306 10.898 9.845 1.00 0.00 N ATOM 770 CA ALA A 56 3.720 10.761 10.174 1.00 0.00 C ATOM 771 C ALA A 56 4.554 10.515 8.921 1.00 0.00 C ATOM 772 O ALA A 56 4.053 10.002 7.921 1.00 0.00 O ATOM 773 CB ALA A 56 3.922 9.633 11.175 1.00 0.00 C ATOM 0 H ALA A 56 1.931 10.143 9.271 1.00 0.00 H new ATOM 0 HA ALA A 56 4.055 11.696 10.624 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.982 9.542 11.412 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.364 9.851 12.086 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.564 8.697 10.746 1.00 0.00 H new ATOM 779 N ASN A 57 5.829 10.885 8.983 1.00 0.00 N ATOM 780 CA ASN A 57 6.732 10.706 7.852 1.00 0.00 C ATOM 781 C ASN A 57 7.411 9.341 7.909 1.00 0.00 C ATOM 782 O ASN A 57 8.608 9.218 7.648 1.00 0.00 O ATOM 783 CB ASN A 57 7.789 11.812 7.836 1.00 0.00 C ATOM 784 CG ASN A 57 7.174 13.199 7.809 1.00 0.00 C ATOM 785 OD1 ASN A 57 5.984 13.367 8.073 1.00 0.00 O ATOM 786 ND2 ASN A 57 7.986 14.199 7.488 1.00 0.00 N ATOM 0 H ASN A 57 6.260 11.310 9.804 1.00 0.00 H new ATOM 0 HA ASN A 57 6.143 10.762 6.937 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.425 11.716 8.716 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.431 11.685 6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.630 15.154 7.453 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.966 14.012 7.277 1.00 0.00 H new ATOM 793 N THR A 58 6.637 8.315 8.252 1.00 0.00 N ATOM 794 CA THR A 58 7.162 6.959 8.343 1.00 0.00 C ATOM 795 C THR A 58 6.041 5.929 8.263 1.00 0.00 C ATOM 796 O THR A 58 4.870 6.280 8.118 1.00 0.00 O ATOM 797 CB THR A 58 7.945 6.747 9.653 1.00 0.00 C ATOM 798 OG1 THR A 58 7.093 6.988 10.778 1.00 0.00 O ATOM 799 CG2 THR A 58 9.152 7.671 9.717 1.00 0.00 C ATOM 0 H THR A 58 5.644 8.398 8.471 1.00 0.00 H new ATOM 0 HA THR A 58 7.837 6.824 7.498 1.00 0.00 H new ATOM 0 HB THR A 58 8.295 5.715 9.678 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.598 6.849 11.606 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.689 7.504 10.650 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.813 7.465 8.876 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.819 8.708 9.671 1.00 0.00 H new ATOM 807 N CYS A 59 6.407 4.655 8.359 1.00 0.00 N ATOM 808 CA CYS A 59 5.432 3.572 8.297 1.00 0.00 C ATOM 809 C CYS A 59 4.735 3.391 9.642 1.00 0.00 C ATOM 810 O CYS A 59 5.366 3.376 10.699 1.00 0.00 O ATOM 811 CB CYS A 59 6.114 2.267 7.883 1.00 0.00 C ATOM 812 SG CYS A 59 5.031 1.118 6.974 1.00 0.00 S ATOM 0 H CYS A 59 7.372 4.347 8.480 1.00 0.00 H new ATOM 0 HA CYS A 59 4.681 3.834 7.551 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.979 2.502 7.262 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.489 1.766 8.776 1.00 0.00 H new ATOM 817 N PRO A 60 3.402 3.248 9.604 1.00 0.00 N ATOM 818 CA PRO A 60 2.590 3.064 10.810 1.00 0.00 C ATOM 819 C PRO A 60 2.815 1.702 11.458 1.00 0.00 C ATOM 820 O PRO A 60 2.146 1.345 12.428 1.00 0.00 O ATOM 821 CB PRO A 60 1.154 3.179 10.293 1.00 0.00 C ATOM 822 CG PRO A 60 1.237 2.790 8.857 1.00 0.00 C ATOM 823 CD PRO A 60 2.584 3.255 8.379 1.00 0.00 C ATOM 0 HA PRO A 60 2.839 3.791 11.583 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.481 2.521 10.843 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.772 4.193 10.407 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.132 1.712 8.738 1.00 0.00 H new ATOM 0 HG3 PRO A 60 0.437 3.254 8.280 1.00 0.00 H new ATOM 0 HD2 PRO A 60 2.993 2.589 7.619 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.532 4.250 7.936 1.00 0.00 H new ATOM 831 N THR A 61 3.763 0.943 10.916 1.00 0.00 N ATOM 832 CA THR A 61 4.076 -0.380 11.440 1.00 0.00 C ATOM 833 C THR A 61 5.559 -0.505 11.770 1.00 0.00 C ATOM 834 O THR A 61 5.929 -0.908 12.873 1.00 0.00 O ATOM 835 CB THR A 61 3.689 -1.487 10.441 1.00 0.00 C ATOM 836 OG1 THR A 61 2.264 -1.572 10.332 1.00 0.00 O ATOM 837 CG2 THR A 61 4.251 -2.831 10.878 1.00 0.00 C ATOM 0 H THR A 61 4.327 1.223 10.114 1.00 0.00 H new ATOM 0 HA THR A 61 3.492 -0.504 12.352 1.00 0.00 H new ATOM 0 HB THR A 61 4.112 -1.233 9.469 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.996 -2.513 10.279 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.965 -3.597 10.157 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.338 -2.771 10.931 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.854 -3.090 11.859 1.00 0.00 H new ATOM 845 N CYS A 62 6.405 -0.155 10.807 1.00 0.00 N ATOM 846 CA CYS A 62 7.849 -0.227 10.994 1.00 0.00 C ATOM 847 C CYS A 62 8.475 1.164 10.936 1.00 0.00 C ATOM 848 O CYS A 62 9.698 1.304 10.900 1.00 0.00 O ATOM 849 CB CYS A 62 8.479 -1.126 9.928 1.00 0.00 C ATOM 850 SG CYS A 62 8.205 -0.558 8.219 1.00 0.00 S ATOM 0 H CYS A 62 6.115 0.181 9.889 1.00 0.00 H new ATOM 0 HA CYS A 62 8.042 -0.653 11.979 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.552 -1.191 10.110 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.076 -2.133 10.034 1.00 0.00 H new ATOM 855 N ARG A 63 7.628 2.188 10.927 1.00 0.00 N ATOM 856 CA ARG A 63 8.098 3.567 10.872 1.00 0.00 C ATOM 857 C ARG A 63 9.378 3.673 10.050 1.00 0.00 C ATOM 858 O ARG A 63 10.267 4.465 10.364 1.00 0.00 O ATOM 859 CB ARG A 63 8.340 4.102 12.285 1.00 0.00 C ATOM 860 CG ARG A 63 9.197 3.187 13.144 1.00 0.00 C ATOM 861 CD ARG A 63 10.676 3.348 12.826 1.00 0.00 C ATOM 862 NE ARG A 63 11.523 2.679 13.810 1.00 0.00 N ATOM 863 CZ ARG A 63 12.833 2.516 13.662 1.00 0.00 C ATOM 864 NH1 ARG A 63 13.442 2.971 12.576 1.00 0.00 N ATOM 865 NH2 ARG A 63 13.536 1.897 14.602 1.00 0.00 N ATOM 0 H ARG A 63 6.613 2.089 10.957 1.00 0.00 H new ATOM 0 HA ARG A 63 7.327 4.168 10.390 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.820 5.078 12.217 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.379 4.253 12.777 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.024 3.408 14.197 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.900 2.151 12.983 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.880 2.941 11.836 1.00 0.00 H new ATOM 0 HD3 ARG A 63 10.926 4.408 12.793 1.00 0.00 H new ATOM 0 HE ARG A 63 11.085 2.317 14.657 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.905 3.447 11.852 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.448 2.845 12.465 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.070 1.546 15.439 1.00 0.00 H new ATOM 0 HH22 ARG A 63 14.542 1.772 14.488 1.00 0.00 H new ATOM 879 N LYS A 64 9.466 2.870 8.995 1.00 0.00 N ATOM 880 CA LYS A 64 10.637 2.873 8.126 1.00 0.00 C ATOM 881 C LYS A 64 10.475 3.887 6.998 1.00 0.00 C ATOM 882 O LYS A 64 9.446 3.922 6.323 1.00 0.00 O ATOM 883 CB LYS A 64 10.867 1.477 7.541 1.00 0.00 C ATOM 884 CG LYS A 64 12.207 1.324 6.843 1.00 0.00 C ATOM 885 CD LYS A 64 12.528 -0.135 6.565 1.00 0.00 C ATOM 886 CE LYS A 64 13.551 -0.279 5.449 1.00 0.00 C ATOM 887 NZ LYS A 64 13.025 0.219 4.148 1.00 0.00 N ATOM 0 H LYS A 64 8.740 2.208 8.721 1.00 0.00 H new ATOM 0 HA LYS A 64 11.502 3.157 8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.798 0.741 8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.070 1.253 6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.195 1.880 5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.992 1.759 7.462 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.910 -0.604 7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.615 -0.664 6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.454 0.272 5.711 1.00 0.00 H new ATOM 0 HE3 LYS A 64 13.835 -1.327 5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.549 -0.227 3.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.016 -0.018 4.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.143 1.251 4.098 1.00 0.00 H new ATOM 901 N LYS A 65 11.498 4.711 6.798 1.00 0.00 N ATOM 902 CA LYS A 65 11.471 5.725 5.751 1.00 0.00 C ATOM 903 C LYS A 65 10.620 5.266 4.571 1.00 0.00 C ATOM 904 O LYS A 65 11.034 4.405 3.793 1.00 0.00 O ATOM 905 CB LYS A 65 12.893 6.036 5.277 1.00 0.00 C ATOM 906 CG LYS A 65 13.075 7.466 4.798 1.00 0.00 C ATOM 907 CD LYS A 65 13.597 8.364 5.907 1.00 0.00 C ATOM 908 CE LYS A 65 12.461 8.946 6.734 1.00 0.00 C ATOM 909 NZ LYS A 65 12.956 9.913 7.752 1.00 0.00 N ATOM 0 H LYS A 65 12.357 4.696 7.348 1.00 0.00 H new ATOM 0 HA LYS A 65 11.027 6.629 6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.589 5.844 6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.154 5.354 4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.769 7.484 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.123 7.852 4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.265 7.795 6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.185 9.173 5.475 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.750 9.444 6.075 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.923 8.139 7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.152 10.287 8.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.615 9.432 8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.447 10.697 7.276 1.00 0.00 H new ATOM 923 N ILE A 66 9.432 5.846 4.444 1.00 0.00 N ATOM 924 CA ILE A 66 8.525 5.498 3.357 1.00 0.00 C ATOM 925 C ILE A 66 8.220 6.712 2.485 1.00 0.00 C ATOM 926 O ILE A 66 7.133 7.283 2.557 1.00 0.00 O ATOM 927 CB ILE A 66 7.202 4.919 3.892 1.00 0.00 C ATOM 928 CG1 ILE A 66 6.615 5.838 4.965 1.00 0.00 C ATOM 929 CG2 ILE A 66 7.422 3.520 4.447 1.00 0.00 C ATOM 930 CD1 ILE A 66 5.127 5.654 5.171 1.00 0.00 C ATOM 0 H ILE A 66 9.075 6.559 5.080 1.00 0.00 H new ATOM 0 HA ILE A 66 9.028 4.740 2.757 1.00 0.00 H new ATOM 0 HB ILE A 66 6.491 4.854 3.068 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.129 5.656 5.909 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.810 6.875 4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.478 3.124 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.800 2.871 3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.146 3.561 5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.780 6.338 5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.602 5.865 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.926 4.627 5.477 1.00 0.00 H new ATOM 942 N ASN A 67 9.188 7.099 1.660 1.00 0.00 N ATOM 943 CA ASN A 67 9.023 8.244 0.773 1.00 0.00 C ATOM 944 C ASN A 67 8.422 7.815 -0.563 1.00 0.00 C ATOM 945 O ASN A 67 8.898 8.214 -1.626 1.00 0.00 O ATOM 946 CB ASN A 67 10.369 8.934 0.541 1.00 0.00 C ATOM 947 CG ASN A 67 10.795 9.782 1.724 1.00 0.00 C ATOM 948 OD1 ASN A 67 10.182 10.807 2.020 1.00 0.00 O ATOM 949 ND2 ASN A 67 11.852 9.356 2.406 1.00 0.00 N ATOM 0 H ASN A 67 10.094 6.636 1.588 1.00 0.00 H new ATOM 0 HA ASN A 67 8.340 8.946 1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.131 8.180 0.344 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.304 9.561 -0.348 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.186 9.885 3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.330 8.500 2.124 1.00 0.00 H new ATOM 956 N HIS A 68 7.374 7.000 -0.499 1.00 0.00 N ATOM 957 CA HIS A 68 6.707 6.518 -1.703 1.00 0.00 C ATOM 958 C HIS A 68 7.710 6.309 -2.834 1.00 0.00 C ATOM 959 O HIS A 68 7.421 6.598 -3.995 1.00 0.00 O ATOM 960 CB HIS A 68 5.624 7.504 -2.142 1.00 0.00 C ATOM 961 CG HIS A 68 4.556 6.884 -2.988 1.00 0.00 C ATOM 962 ND1 HIS A 68 4.395 5.520 -3.118 1.00 0.00 N ATOM 963 CD2 HIS A 68 3.589 7.449 -3.749 1.00 0.00 C ATOM 964 CE1 HIS A 68 3.378 5.273 -3.923 1.00 0.00 C ATOM 965 NE2 HIS A 68 2.871 6.427 -4.320 1.00 0.00 N ATOM 0 H HIS A 68 6.969 6.660 0.373 1.00 0.00 H new ATOM 0 HA HIS A 68 6.243 5.560 -1.471 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.165 7.944 -1.257 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.089 8.318 -2.698 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.415 8.507 -3.882 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.021 4.294 -4.208 1.00 0.00 H new ATOM 0 HE2 HIS A 68 2.076 6.540 -4.948 1.00 0.00 H new ATOM 973 N LYS A 69 8.890 5.807 -2.486 1.00 0.00 N ATOM 974 CA LYS A 69 9.937 5.559 -3.471 1.00 0.00 C ATOM 975 C LYS A 69 9.717 4.223 -4.174 1.00 0.00 C ATOM 976 O LYS A 69 10.408 3.937 -5.150 1.00 0.00 O ATOM 977 CB LYS A 69 11.311 5.574 -2.799 1.00 0.00 C ATOM 978 CG LYS A 69 11.504 4.461 -1.783 1.00 0.00 C ATOM 979 CD LYS A 69 12.908 4.474 -1.201 1.00 0.00 C ATOM 980 CE LYS A 69 13.349 3.080 -0.780 1.00 0.00 C ATOM 981 NZ LYS A 69 13.612 2.203 -1.954 1.00 0.00 N ATOM 0 H LYS A 69 9.146 5.564 -1.529 1.00 0.00 H new ATOM 0 HA LYS A 69 9.896 6.353 -4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.082 5.492 -3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.454 6.535 -2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.775 4.570 -0.980 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.314 3.498 -2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.605 4.870 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.940 5.143 -0.341 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.251 3.153 -0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.578 2.629 -0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.216 1.407 -1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.711 1.838 -2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.093 2.751 -2.696 1.00 0.00 H new TER 995 LYS A 69 HETATM 996 ZN ZN A 201 -6.887 -0.024 5.889 1.00 0.00 ZN HETATM 997 ZN ZN A 401 6.291 -0.902 7.192 1.00 0.00 ZN