USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 735 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 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HE2 : A 60 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 88 HIS HE2 : A 88 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 46 CYS SG : rot 124:sc= -1.43 USER MOD Set 1.2: A 48 SER OG : rot 157:sc= -0.368 USER MOD Set 1.3: A 51 HIS : no HD1:sc= -0.137 K(o=-1.9,f=-2.5) USER MOD Set 2.1: A 17 TYR OH : rot 165:sc= -0.128 USER MOD Set 2.2: A 19 SER OG : rot 113:sc= -1.55 USER MOD Set 2.3: A 24 ASN : amide:sc= -2.02 X(o=-3.7,f=-3.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 11:sc= 0.876 USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0734) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.9!) USER MOD Single : A 16 SER OG : rot -57:sc= 0.00273 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.181! K(o=0.18!,f=-0.93) USER MOD Single : A 31 LYS NZ :NH3+ 147:sc= 0.263 (180deg=-0.0146) USER MOD Single : A 33 THR OG1 : rot -90:sc= 0.613 USER MOD Single : A 36 LYS NZ :NH3+ -112:sc= -0.539 (180deg=-1.33) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 156:sc= -0.065 (180deg=-0.411) USER MOD Single : A 65 GLN : amide:sc= -9.62! C(o=-9.6!,f=-15!) USER MOD Single : A 66 HIS : no HD1:sc= -1.62! X(o=-1.6!,f=-1.3) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -165:sc=-0.00614 (180deg=-0.0948) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0165) USER MOD Single : A 74 TYR OH : rot 30:sc= -2.92! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0416) USER MOD Single : A 79 ASN : amide:sc= -0.0433 X(o=-0.043,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.710 -23.078 -63.684 1.00 0.00 N ATOM 2 CA GLY A 1 27.911 -22.363 -62.705 1.00 0.00 C ATOM 3 C GLY A 1 26.564 -23.016 -62.469 1.00 0.00 C ATOM 4 O GLY A 1 25.716 -23.048 -63.361 1.00 0.00 O ATOM 0 H1 GLY A 1 29.621 -22.592 -63.810 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.878 -24.049 -63.352 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.204 -23.105 -64.592 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.457 -22.312 -61.763 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.760 -21.338 -63.042 1.00 0.00 H new ATOM 8 N SER A 2 26.365 -23.540 -61.263 1.00 0.00 N ATOM 9 CA SER A 2 25.113 -24.200 -60.913 1.00 0.00 C ATOM 10 C SER A 2 24.567 -23.665 -59.593 1.00 0.00 C ATOM 11 O SER A 2 25.288 -23.578 -58.599 1.00 0.00 O ATOM 12 CB SER A 2 25.319 -25.713 -60.817 1.00 0.00 C ATOM 13 OG SER A 2 24.133 -26.412 -61.151 1.00 0.00 O ATOM 0 H SER A 2 27.055 -23.520 -60.512 1.00 0.00 H new ATOM 0 HA SER A 2 24.388 -23.988 -61.698 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.124 -26.017 -61.486 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.628 -25.978 -59.806 1.00 0.00 H new ATOM 0 HG SER A 2 24.292 -27.377 -61.084 1.00 0.00 H new ATOM 19 N SER A 3 23.287 -23.306 -59.591 1.00 0.00 N ATOM 20 CA SER A 3 22.643 -22.775 -58.395 1.00 0.00 C ATOM 21 C SER A 3 22.412 -23.879 -57.368 1.00 0.00 C ATOM 22 O SER A 3 21.649 -24.814 -57.606 1.00 0.00 O ATOM 23 CB SER A 3 21.313 -22.112 -58.758 1.00 0.00 C ATOM 24 OG SER A 3 21.507 -21.039 -59.663 1.00 0.00 O ATOM 0 H SER A 3 22.675 -23.373 -60.404 1.00 0.00 H new ATOM 0 HA SER A 3 23.304 -22.028 -57.956 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.645 -22.850 -59.202 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.827 -21.746 -57.854 1.00 0.00 H new ATOM 0 HG SER A 3 20.642 -20.634 -59.880 1.00 0.00 H new ATOM 30 N GLY A 4 23.077 -23.762 -56.223 1.00 0.00 N ATOM 31 CA GLY A 4 22.931 -24.755 -55.175 1.00 0.00 C ATOM 32 C GLY A 4 21.879 -24.371 -54.154 1.00 0.00 C ATOM 33 O GLY A 4 20.906 -25.098 -53.952 1.00 0.00 O ATOM 0 H GLY A 4 23.715 -22.997 -56.002 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.666 -25.714 -55.621 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.888 -24.891 -54.672 1.00 0.00 H new ATOM 37 N SER A 5 22.075 -23.227 -53.507 1.00 0.00 N ATOM 38 CA SER A 5 21.137 -22.750 -52.497 1.00 0.00 C ATOM 39 C SER A 5 20.833 -21.268 -52.694 1.00 0.00 C ATOM 40 O SER A 5 21.706 -20.416 -52.527 1.00 0.00 O ATOM 41 CB SER A 5 21.703 -22.983 -51.095 1.00 0.00 C ATOM 42 OG SER A 5 20.681 -22.923 -50.115 1.00 0.00 O ATOM 0 H SER A 5 22.874 -22.613 -53.664 1.00 0.00 H new ATOM 0 HA SER A 5 20.209 -23.311 -52.605 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.193 -23.956 -51.055 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.464 -22.233 -50.878 1.00 0.00 H new ATOM 0 HG SER A 5 21.069 -23.077 -49.228 1.00 0.00 H new ATOM 48 N SER A 6 19.588 -20.968 -53.052 1.00 0.00 N ATOM 49 CA SER A 6 19.168 -19.590 -53.276 1.00 0.00 C ATOM 50 C SER A 6 19.212 -18.790 -51.978 1.00 0.00 C ATOM 51 O SER A 6 18.488 -19.087 -51.028 1.00 0.00 O ATOM 52 CB SER A 6 17.756 -19.555 -53.863 1.00 0.00 C ATOM 53 OG SER A 6 16.790 -19.911 -52.889 1.00 0.00 O ATOM 0 H SER A 6 18.853 -21.661 -53.193 1.00 0.00 H new ATOM 0 HA SER A 6 19.860 -19.136 -53.985 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.542 -18.557 -54.244 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.693 -20.239 -54.709 1.00 0.00 H new ATOM 0 HG SER A 6 17.209 -19.929 -52.003 1.00 0.00 H new ATOM 59 N GLY A 7 20.067 -17.773 -51.945 1.00 0.00 N ATOM 60 CA GLY A 7 20.191 -16.946 -50.759 1.00 0.00 C ATOM 61 C GLY A 7 18.896 -16.241 -50.407 1.00 0.00 C ATOM 62 O GLY A 7 17.816 -16.822 -50.510 1.00 0.00 O ATOM 0 H GLY A 7 20.676 -17.507 -52.719 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.504 -17.566 -49.919 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.974 -16.204 -50.917 1.00 0.00 H new ATOM 66 N LYS A 8 19.004 -14.985 -49.986 1.00 0.00 N ATOM 67 CA LYS A 8 17.833 -14.199 -49.616 1.00 0.00 C ATOM 68 C LYS A 8 17.025 -14.904 -48.532 1.00 0.00 C ATOM 69 O LYS A 8 15.823 -15.134 -48.670 1.00 0.00 O ATOM 70 CB LYS A 8 16.952 -13.949 -50.843 1.00 0.00 C ATOM 71 CG LYS A 8 17.398 -12.765 -51.682 1.00 0.00 C ATOM 72 CD LYS A 8 16.748 -12.777 -53.055 1.00 0.00 C ATOM 73 CE LYS A 8 17.399 -13.802 -53.971 1.00 0.00 C ATOM 74 NZ LYS A 8 18.742 -13.357 -54.435 1.00 0.00 N ATOM 0 H LYS A 8 19.891 -14.490 -49.893 1.00 0.00 H new ATOM 0 HA LYS A 8 18.178 -13.243 -49.223 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.949 -14.844 -51.466 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.925 -13.785 -50.515 1.00 0.00 H new ATOM 0 HG2 LYS A 8 17.146 -11.838 -51.167 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.482 -12.784 -51.792 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.686 -13.000 -52.954 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.824 -11.786 -53.503 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.493 -14.752 -53.445 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.757 -13.978 -54.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.065 -13.974 -55.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.684 -12.377 -54.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 19.417 -13.409 -53.645 1.00 0.00 H new ATOM 88 N PRO A 9 17.697 -15.254 -47.425 1.00 0.00 N ATOM 89 CA PRO A 9 17.060 -15.935 -46.294 1.00 0.00 C ATOM 90 C PRO A 9 16.094 -15.028 -45.539 1.00 0.00 C ATOM 91 O PRO A 9 15.021 -15.461 -45.119 1.00 0.00 O ATOM 92 CB PRO A 9 18.242 -16.320 -45.401 1.00 0.00 C ATOM 93 CG PRO A 9 19.306 -15.332 -45.734 1.00 0.00 C ATOM 94 CD PRO A 9 19.130 -15.010 -47.192 1.00 0.00 C ATOM 0 HA PRO A 9 16.457 -16.784 -46.617 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.973 -16.272 -44.346 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.572 -17.340 -45.599 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.211 -14.435 -45.122 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.296 -15.745 -45.542 1.00 0.00 H new ATOM 0 HD2 PRO A 9 19.403 -13.978 -47.411 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.753 -15.645 -47.822 1.00 0.00 H new ATOM 102 N TYR A 10 16.483 -13.769 -45.371 1.00 0.00 N ATOM 103 CA TYR A 10 15.652 -12.801 -44.664 1.00 0.00 C ATOM 104 C TYR A 10 14.445 -12.402 -45.507 1.00 0.00 C ATOM 105 O TYR A 10 14.588 -11.820 -46.582 1.00 0.00 O ATOM 106 CB TYR A 10 16.471 -11.560 -44.306 1.00 0.00 C ATOM 107 CG TYR A 10 17.703 -11.864 -43.483 1.00 0.00 C ATOM 108 CD1 TYR A 10 18.874 -12.305 -44.087 1.00 0.00 C ATOM 109 CD2 TYR A 10 17.695 -11.711 -42.103 1.00 0.00 C ATOM 110 CE1 TYR A 10 20.001 -12.585 -43.340 1.00 0.00 C ATOM 111 CE2 TYR A 10 18.819 -11.986 -41.347 1.00 0.00 C ATOM 112 CZ TYR A 10 19.969 -12.423 -41.970 1.00 0.00 C ATOM 113 OH TYR A 10 21.090 -12.700 -41.221 1.00 0.00 O ATOM 0 H TYR A 10 17.368 -13.395 -45.714 1.00 0.00 H new ATOM 0 HA TYR A 10 15.294 -13.268 -43.747 1.00 0.00 H new ATOM 0 HB2 TYR A 10 16.773 -11.057 -45.225 1.00 0.00 H new ATOM 0 HB3 TYR A 10 15.839 -10.864 -43.755 1.00 0.00 H new ATOM 0 HD1 TYR A 10 18.903 -12.431 -45.159 1.00 0.00 H new ATOM 0 HD2 TYR A 10 16.795 -11.371 -41.612 1.00 0.00 H new ATOM 0 HE1 TYR A 10 20.902 -12.929 -43.825 1.00 0.00 H new ATOM 0 HE2 TYR A 10 18.797 -11.859 -40.275 1.00 0.00 H new ATOM 0 HH TYR A 10 20.900 -12.533 -40.274 1.00 0.00 H new ATOM 123 N LYS A 11 13.254 -12.718 -45.010 1.00 0.00 N ATOM 124 CA LYS A 11 12.019 -12.393 -45.713 1.00 0.00 C ATOM 125 C LYS A 11 11.243 -11.307 -44.975 1.00 0.00 C ATOM 126 O LYS A 11 11.333 -11.187 -43.753 1.00 0.00 O ATOM 127 CB LYS A 11 11.149 -13.642 -45.865 1.00 0.00 C ATOM 128 CG LYS A 11 11.412 -14.414 -47.147 1.00 0.00 C ATOM 129 CD LYS A 11 12.559 -15.397 -46.980 1.00 0.00 C ATOM 130 CE LYS A 11 12.577 -16.427 -48.099 1.00 0.00 C ATOM 131 NZ LYS A 11 13.246 -17.690 -47.679 1.00 0.00 N ATOM 0 H LYS A 11 13.118 -13.200 -44.121 1.00 0.00 H new ATOM 0 HA LYS A 11 12.282 -12.019 -46.703 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.320 -14.300 -45.013 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.099 -13.349 -45.836 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.510 -14.952 -47.441 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.643 -13.717 -47.952 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.505 -14.855 -46.967 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.469 -15.904 -46.019 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.555 -16.643 -48.410 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.093 -16.013 -48.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.238 -18.366 -48.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.229 -17.488 -47.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.739 -18.099 -46.868 1.00 0.00 H new ATOM 145 N CYS A 12 10.479 -10.518 -45.724 1.00 0.00 N ATOM 146 CA CYS A 12 9.686 -9.443 -45.142 1.00 0.00 C ATOM 147 C CYS A 12 8.372 -9.979 -44.581 1.00 0.00 C ATOM 148 O CYS A 12 7.558 -10.568 -45.293 1.00 0.00 O ATOM 149 CB CYS A 12 9.404 -8.364 -46.189 1.00 0.00 C ATOM 150 SG CYS A 12 8.479 -6.931 -45.550 1.00 0.00 S ATOM 0 H CYS A 12 10.393 -10.604 -46.737 1.00 0.00 H new ATOM 0 HA CYS A 12 10.258 -9.005 -44.324 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.351 -8.017 -46.601 1.00 0.00 H new ATOM 0 HB3 CYS A 12 8.842 -8.808 -47.011 1.00 0.00 H new ATOM 155 N PRO A 13 8.157 -9.770 -43.274 1.00 0.00 N ATOM 156 CA PRO A 13 6.944 -10.223 -42.588 1.00 0.00 C ATOM 157 C PRO A 13 5.708 -9.438 -43.016 1.00 0.00 C ATOM 158 O PRO A 13 4.599 -9.711 -42.558 1.00 0.00 O ATOM 159 CB PRO A 13 7.254 -9.968 -41.111 1.00 0.00 C ATOM 160 CG PRO A 13 8.263 -8.872 -41.120 1.00 0.00 C ATOM 161 CD PRO A 13 9.083 -9.074 -42.364 1.00 0.00 C ATOM 0 HA PRO A 13 6.713 -11.264 -42.815 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.358 -9.677 -40.563 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.646 -10.863 -40.628 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.778 -7.896 -41.126 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.890 -8.911 -40.229 1.00 0.00 H new ATOM 0 HD2 PRO A 13 9.420 -8.125 -42.782 1.00 0.00 H new ATOM 0 HD3 PRO A 13 9.974 -9.669 -42.165 1.00 0.00 H new ATOM 169 N GLN A 14 5.909 -8.463 -43.897 1.00 0.00 N ATOM 170 CA GLN A 14 4.810 -7.638 -44.386 1.00 0.00 C ATOM 171 C GLN A 14 4.515 -7.938 -45.852 1.00 0.00 C ATOM 172 O GLN A 14 3.362 -7.910 -46.283 1.00 0.00 O ATOM 173 CB GLN A 14 5.141 -6.155 -44.213 1.00 0.00 C ATOM 174 CG GLN A 14 5.419 -5.757 -42.773 1.00 0.00 C ATOM 175 CD GLN A 14 5.052 -4.315 -42.484 1.00 0.00 C ATOM 176 OE1 GLN A 14 4.117 -3.771 -43.072 1.00 0.00 O ATOM 177 NE2 GLN A 14 5.788 -3.687 -41.575 1.00 0.00 N ATOM 0 H GLN A 14 6.821 -8.225 -44.286 1.00 0.00 H new ATOM 0 HA GLN A 14 3.922 -7.875 -43.800 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.011 -5.912 -44.823 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.310 -5.559 -44.592 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.859 -6.411 -42.105 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.476 -5.909 -42.556 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.554 -4.177 -41.112 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.588 -2.715 -41.340 1.00 0.00 H new ATOM 186 N CYS A 15 5.565 -8.225 -46.615 1.00 0.00 N ATOM 187 CA CYS A 15 5.419 -8.529 -48.033 1.00 0.00 C ATOM 188 C CYS A 15 6.296 -9.714 -48.428 1.00 0.00 C ATOM 189 O CYS A 15 6.933 -10.339 -47.579 1.00 0.00 O ATOM 190 CB CYS A 15 5.784 -7.307 -48.879 1.00 0.00 C ATOM 191 SG CYS A 15 7.565 -7.147 -49.224 1.00 0.00 S ATOM 0 H CYS A 15 6.526 -8.253 -46.274 1.00 0.00 H new ATOM 0 HA CYS A 15 4.377 -8.792 -48.217 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.245 -7.359 -49.825 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.442 -6.408 -48.366 1.00 0.00 H new ATOM 196 N SER A 16 6.324 -10.018 -49.722 1.00 0.00 N ATOM 197 CA SER A 16 7.120 -11.130 -50.229 1.00 0.00 C ATOM 198 C SER A 16 8.525 -10.667 -50.602 1.00 0.00 C ATOM 199 O SER A 16 9.101 -11.129 -51.587 1.00 0.00 O ATOM 200 CB SER A 16 6.438 -11.759 -51.445 1.00 0.00 C ATOM 201 OG SER A 16 6.853 -13.102 -51.624 1.00 0.00 O ATOM 0 H SER A 16 5.805 -9.510 -50.438 1.00 0.00 H new ATOM 0 HA SER A 16 7.201 -11.877 -49.439 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.356 -11.723 -51.318 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.674 -11.180 -52.338 1.00 0.00 H new ATOM 0 HG SER A 16 7.829 -13.135 -51.706 1.00 0.00 H new ATOM 207 N TYR A 17 9.069 -9.751 -49.809 1.00 0.00 N ATOM 208 CA TYR A 17 10.405 -9.222 -50.056 1.00 0.00 C ATOM 209 C TYR A 17 11.468 -10.100 -49.403 1.00 0.00 C ATOM 210 O TYR A 17 11.191 -10.819 -48.443 1.00 0.00 O ATOM 211 CB TYR A 17 10.516 -7.791 -49.529 1.00 0.00 C ATOM 212 CG TYR A 17 11.939 -7.288 -49.437 1.00 0.00 C ATOM 213 CD1 TYR A 17 12.590 -6.777 -50.554 1.00 0.00 C ATOM 214 CD2 TYR A 17 12.633 -7.324 -48.234 1.00 0.00 C ATOM 215 CE1 TYR A 17 13.890 -6.317 -50.474 1.00 0.00 C ATOM 216 CE2 TYR A 17 13.932 -6.865 -48.145 1.00 0.00 C ATOM 217 CZ TYR A 17 14.557 -6.362 -49.268 1.00 0.00 C ATOM 218 OH TYR A 17 15.852 -5.905 -49.184 1.00 0.00 O ATOM 0 H TYR A 17 8.605 -9.359 -48.989 1.00 0.00 H new ATOM 0 HA TYR A 17 10.573 -9.219 -51.133 1.00 0.00 H new ATOM 0 HB2 TYR A 17 9.947 -7.128 -50.180 1.00 0.00 H new ATOM 0 HB3 TYR A 17 10.057 -7.740 -48.542 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.071 -6.739 -51.500 1.00 0.00 H new ATOM 0 HD2 TYR A 17 12.148 -7.718 -47.353 1.00 0.00 H new ATOM 0 HE1 TYR A 17 14.382 -5.924 -51.352 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.456 -6.899 -47.201 1.00 0.00 H new ATOM 0 HH TYR A 17 16.095 -5.782 -48.243 1.00 0.00 H new ATOM 228 N ALA A 18 12.686 -10.035 -49.930 1.00 0.00 N ATOM 229 CA ALA A 18 13.792 -10.821 -49.398 1.00 0.00 C ATOM 230 C ALA A 18 15.125 -10.116 -49.624 1.00 0.00 C ATOM 231 O ALA A 18 15.288 -9.369 -50.588 1.00 0.00 O ATOM 232 CB ALA A 18 13.810 -12.204 -50.032 1.00 0.00 C ATOM 0 H ALA A 18 12.932 -9.446 -50.725 1.00 0.00 H new ATOM 0 HA ALA A 18 13.645 -10.928 -48.323 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.641 -12.780 -49.625 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.873 -12.716 -49.814 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.929 -12.108 -51.111 1.00 0.00 H new ATOM 238 N SER A 19 16.077 -10.358 -48.728 1.00 0.00 N ATOM 239 CA SER A 19 17.395 -9.743 -48.827 1.00 0.00 C ATOM 240 C SER A 19 18.474 -10.680 -48.294 1.00 0.00 C ATOM 241 O SER A 19 18.179 -11.655 -47.603 1.00 0.00 O ATOM 242 CB SER A 19 17.424 -8.422 -48.055 1.00 0.00 C ATOM 243 OG SER A 19 18.376 -7.530 -48.607 1.00 0.00 O ATOM 0 H SER A 19 15.960 -10.976 -47.925 1.00 0.00 H new ATOM 0 HA SER A 19 17.598 -9.545 -49.880 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.436 -7.963 -48.076 1.00 0.00 H new ATOM 0 HB3 SER A 19 17.664 -8.614 -47.009 1.00 0.00 H new ATOM 0 HG SER A 19 17.913 -6.765 -49.007 1.00 0.00 H new ATOM 249 N ALA A 20 19.726 -10.377 -48.620 1.00 0.00 N ATOM 250 CA ALA A 20 20.850 -11.190 -48.173 1.00 0.00 C ATOM 251 C ALA A 20 21.614 -10.500 -47.048 1.00 0.00 C ATOM 252 O ALA A 20 22.788 -10.788 -46.814 1.00 0.00 O ATOM 253 CB ALA A 20 21.781 -11.491 -49.338 1.00 0.00 C ATOM 0 H ALA A 20 19.987 -9.574 -49.192 1.00 0.00 H new ATOM 0 HA ALA A 20 20.455 -12.129 -47.786 1.00 0.00 H new ATOM 0 HB1 ALA A 20 22.616 -12.099 -48.989 1.00 0.00 H new ATOM 0 HB2 ALA A 20 21.235 -12.033 -50.110 1.00 0.00 H new ATOM 0 HB3 ALA A 20 22.161 -10.557 -49.751 1.00 0.00 H new ATOM 259 N ILE A 21 20.941 -9.588 -46.355 1.00 0.00 N ATOM 260 CA ILE A 21 21.557 -8.858 -45.254 1.00 0.00 C ATOM 261 C ILE A 21 20.524 -8.482 -44.197 1.00 0.00 C ATOM 262 O ILE A 21 19.391 -8.123 -44.520 1.00 0.00 O ATOM 263 CB ILE A 21 22.257 -7.578 -45.749 1.00 0.00 C ATOM 264 CG1 ILE A 21 23.322 -7.925 -46.792 1.00 0.00 C ATOM 265 CG2 ILE A 21 22.877 -6.828 -44.580 1.00 0.00 C ATOM 266 CD1 ILE A 21 23.914 -6.713 -47.476 1.00 0.00 C ATOM 0 H ILE A 21 19.969 -9.337 -46.536 1.00 0.00 H new ATOM 0 HA ILE A 21 22.300 -9.522 -44.812 1.00 0.00 H new ATOM 0 HB ILE A 21 21.514 -6.932 -46.216 1.00 0.00 H new ATOM 0 HG12 ILE A 21 24.122 -8.487 -46.310 1.00 0.00 H new ATOM 0 HG13 ILE A 21 22.882 -8.579 -47.545 1.00 0.00 H new ATOM 0 HG21 ILE A 21 23.368 -5.926 -44.946 1.00 0.00 H new ATOM 0 HG22 ILE A 21 22.098 -6.554 -43.869 1.00 0.00 H new ATOM 0 HG23 ILE A 21 23.611 -7.466 -44.087 1.00 0.00 H new ATOM 0 HD11 ILE A 21 24.661 -7.034 -48.202 1.00 0.00 H new ATOM 0 HD12 ILE A 21 23.125 -6.162 -47.987 1.00 0.00 H new ATOM 0 HD13 ILE A 21 24.384 -6.069 -46.733 1.00 0.00 H new ATOM 278 N LYS A 22 20.922 -8.565 -42.932 1.00 0.00 N ATOM 279 CA LYS A 22 20.033 -8.231 -41.826 1.00 0.00 C ATOM 280 C LYS A 22 19.620 -6.764 -41.884 1.00 0.00 C ATOM 281 O LYS A 22 18.433 -6.442 -41.842 1.00 0.00 O ATOM 282 CB LYS A 22 20.716 -8.527 -40.489 1.00 0.00 C ATOM 283 CG LYS A 22 19.926 -8.048 -39.283 1.00 0.00 C ATOM 284 CD LYS A 22 18.854 -9.048 -38.885 1.00 0.00 C ATOM 285 CE LYS A 22 19.451 -10.246 -38.163 1.00 0.00 C ATOM 286 NZ LYS A 22 19.726 -9.950 -36.730 1.00 0.00 N ATOM 0 H LYS A 22 21.856 -8.861 -42.647 1.00 0.00 H new ATOM 0 HA LYS A 22 19.137 -8.846 -41.914 1.00 0.00 H new ATOM 0 HB2 LYS A 22 20.878 -9.602 -40.403 1.00 0.00 H new ATOM 0 HB3 LYS A 22 21.698 -8.055 -40.480 1.00 0.00 H new ATOM 0 HG2 LYS A 22 20.603 -7.886 -38.444 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.463 -7.087 -39.509 1.00 0.00 H new ATOM 0 HD2 LYS A 22 18.122 -8.561 -38.241 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.322 -9.386 -39.774 1.00 0.00 H new ATOM 0 HE2 LYS A 22 18.766 -11.091 -38.234 1.00 0.00 H new ATOM 0 HE3 LYS A 22 20.376 -10.543 -38.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 20.132 -10.792 -36.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 20.399 -9.160 -36.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.839 -9.691 -36.253 1.00 0.00 H new ATOM 300 N ALA A 23 20.607 -5.879 -41.982 1.00 0.00 N ATOM 301 CA ALA A 23 20.345 -4.447 -42.049 1.00 0.00 C ATOM 302 C ALA A 23 19.350 -4.123 -43.158 1.00 0.00 C ATOM 303 O ALA A 23 18.513 -3.233 -43.012 1.00 0.00 O ATOM 304 CB ALA A 23 21.643 -3.683 -42.263 1.00 0.00 C ATOM 0 H ALA A 23 21.595 -6.129 -42.017 1.00 0.00 H new ATOM 0 HA ALA A 23 19.906 -4.138 -41.100 1.00 0.00 H new ATOM 0 HB1 ALA A 23 21.433 -2.615 -42.311 1.00 0.00 H new ATOM 0 HB2 ALA A 23 22.323 -3.882 -41.435 1.00 0.00 H new ATOM 0 HB3 ALA A 23 22.105 -4.004 -43.197 1.00 0.00 H new ATOM 310 N ASN A 24 19.446 -4.851 -44.266 1.00 0.00 N ATOM 311 CA ASN A 24 18.554 -4.639 -45.400 1.00 0.00 C ATOM 312 C ASN A 24 17.094 -4.740 -44.970 1.00 0.00 C ATOM 313 O ASN A 24 16.366 -3.747 -44.967 1.00 0.00 O ATOM 314 CB ASN A 24 18.845 -5.660 -46.502 1.00 0.00 C ATOM 315 CG ASN A 24 19.886 -5.166 -47.488 1.00 0.00 C ATOM 316 OD1 ASN A 24 20.121 -3.963 -47.609 1.00 0.00 O ATOM 317 ND2 ASN A 24 20.514 -6.094 -48.199 1.00 0.00 N ATOM 0 H ASN A 24 20.133 -5.593 -44.403 1.00 0.00 H new ATOM 0 HA ASN A 24 18.731 -3.636 -45.787 1.00 0.00 H new ATOM 0 HB2 ASN A 24 19.189 -6.590 -46.050 1.00 0.00 H new ATOM 0 HB3 ASN A 24 17.922 -5.887 -47.036 1.00 0.00 H new ATOM 0 HD21 ASN A 24 21.224 -5.822 -48.879 1.00 0.00 H new ATOM 0 HD22 ASN A 24 20.287 -7.079 -48.065 1.00 0.00 H new ATOM 324 N LEU A 25 16.673 -5.946 -44.606 1.00 0.00 N ATOM 325 CA LEU A 25 15.299 -6.178 -44.173 1.00 0.00 C ATOM 326 C LEU A 25 14.780 -5.001 -43.353 1.00 0.00 C ATOM 327 O LEU A 25 13.635 -4.580 -43.510 1.00 0.00 O ATOM 328 CB LEU A 25 15.214 -7.464 -43.349 1.00 0.00 C ATOM 329 CG LEU A 25 13.805 -7.986 -43.064 1.00 0.00 C ATOM 330 CD1 LEU A 25 13.055 -8.237 -44.363 1.00 0.00 C ATOM 331 CD2 LEU A 25 13.866 -9.256 -42.228 1.00 0.00 C ATOM 0 H LEU A 25 17.263 -6.778 -44.602 1.00 0.00 H new ATOM 0 HA LEU A 25 14.677 -6.280 -45.062 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.770 -8.243 -43.870 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.717 -7.296 -42.397 1.00 0.00 H new ATOM 0 HG LEU A 25 13.265 -7.227 -42.498 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.055 -8.608 -44.140 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.980 -7.306 -44.925 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.592 -8.977 -44.956 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.855 -9.613 -42.035 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.424 -10.021 -42.768 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.363 -9.045 -41.281 1.00 0.00 H new ATOM 343 N ASN A 26 15.633 -4.472 -42.481 1.00 0.00 N ATOM 344 CA ASN A 26 15.261 -3.341 -41.639 1.00 0.00 C ATOM 345 C ASN A 26 14.925 -2.118 -42.486 1.00 0.00 C ATOM 346 O ASN A 26 13.880 -1.493 -42.307 1.00 0.00 O ATOM 347 CB ASN A 26 16.395 -3.007 -40.668 1.00 0.00 C ATOM 348 CG ASN A 26 16.624 -4.104 -39.646 1.00 0.00 C ATOM 349 OD1 ASN A 26 16.060 -4.076 -38.552 1.00 0.00 O ATOM 350 ND2 ASN A 26 17.454 -5.079 -40.000 1.00 0.00 N ATOM 0 H ASN A 26 16.585 -4.808 -42.339 1.00 0.00 H new ATOM 0 HA ASN A 26 14.374 -3.621 -41.070 1.00 0.00 H new ATOM 0 HB2 ASN A 26 17.314 -2.841 -41.230 1.00 0.00 H new ATOM 0 HB3 ASN A 26 16.164 -2.075 -40.151 1.00 0.00 H new ATOM 0 HD21 ASN A 26 17.646 -5.845 -39.354 1.00 0.00 H new ATOM 0 HD22 ASN A 26 17.899 -5.062 -40.917 1.00 0.00 H new ATOM 357 N VAL A 27 15.819 -1.782 -43.411 1.00 0.00 N ATOM 358 CA VAL A 27 15.618 -0.635 -44.288 1.00 0.00 C ATOM 359 C VAL A 27 14.415 -0.846 -45.201 1.00 0.00 C ATOM 360 O VAL A 27 13.686 0.096 -45.513 1.00 0.00 O ATOM 361 CB VAL A 27 16.863 -0.364 -45.153 1.00 0.00 C ATOM 362 CG1 VAL A 27 16.743 -1.065 -46.497 1.00 0.00 C ATOM 363 CG2 VAL A 27 17.067 1.132 -45.338 1.00 0.00 C ATOM 0 H VAL A 27 16.690 -2.288 -43.572 1.00 0.00 H new ATOM 0 HA VAL A 27 15.437 0.227 -43.645 1.00 0.00 H new ATOM 0 HB VAL A 27 17.736 -0.766 -44.639 1.00 0.00 H new ATOM 0 HG11 VAL A 27 17.632 -0.862 -47.094 1.00 0.00 H new ATOM 0 HG12 VAL A 27 16.649 -2.140 -46.340 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.861 -0.697 -47.022 1.00 0.00 H new ATOM 0 HG21 VAL A 27 17.951 1.306 -45.952 1.00 0.00 H new ATOM 0 HG22 VAL A 27 16.194 1.560 -45.830 1.00 0.00 H new ATOM 0 HG23 VAL A 27 17.203 1.604 -44.365 1.00 0.00 H new ATOM 373 N HIS A 28 14.213 -2.089 -45.627 1.00 0.00 N ATOM 374 CA HIS A 28 13.097 -2.425 -46.504 1.00 0.00 C ATOM 375 C HIS A 28 11.767 -2.283 -45.770 1.00 0.00 C ATOM 376 O HIS A 28 10.734 -2.005 -46.381 1.00 0.00 O ATOM 377 CB HIS A 28 13.250 -3.850 -47.036 1.00 0.00 C ATOM 378 CG HIS A 28 12.042 -4.349 -47.767 1.00 0.00 C ATOM 379 ND1 HIS A 28 11.899 -4.258 -49.136 1.00 0.00 N ATOM 380 CD2 HIS A 28 10.916 -4.948 -47.313 1.00 0.00 C ATOM 381 CE1 HIS A 28 10.738 -4.779 -49.491 1.00 0.00 C ATOM 382 NE2 HIS A 28 10.122 -5.205 -48.403 1.00 0.00 N ATOM 0 H HIS A 28 14.807 -2.880 -45.379 1.00 0.00 H new ATOM 0 HA HIS A 28 13.104 -1.729 -47.343 1.00 0.00 H new ATOM 0 HB2 HIS A 28 14.111 -3.889 -47.704 1.00 0.00 H new ATOM 0 HB3 HIS A 28 13.462 -4.519 -46.202 1.00 0.00 H new ATOM 0 HD1 HIS A 28 12.583 -3.852 -49.775 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.685 -5.181 -46.284 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.357 -4.845 -50.499 1.00 0.00 H new ATOM 390 N LEU A 29 11.798 -2.477 -44.456 1.00 0.00 N ATOM 391 CA LEU A 29 10.595 -2.372 -43.638 1.00 0.00 C ATOM 392 C LEU A 29 10.231 -0.912 -43.390 1.00 0.00 C ATOM 393 O LEU A 29 9.083 -0.592 -43.081 1.00 0.00 O ATOM 394 CB LEU A 29 10.797 -3.093 -42.303 1.00 0.00 C ATOM 395 CG LEU A 29 10.905 -4.616 -42.373 1.00 0.00 C ATOM 396 CD1 LEU A 29 11.615 -5.158 -41.142 1.00 0.00 C ATOM 397 CD2 LEU A 29 9.526 -5.243 -42.515 1.00 0.00 C ATOM 0 H LEU A 29 12.643 -2.708 -43.934 1.00 0.00 H new ATOM 0 HA LEU A 29 9.775 -2.845 -44.179 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.703 -2.706 -41.837 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.966 -2.837 -41.645 1.00 0.00 H new ATOM 0 HG LEU A 29 11.494 -4.879 -43.252 1.00 0.00 H new ATOM 0 HD11 LEU A 29 11.683 -6.244 -41.210 1.00 0.00 H new ATOM 0 HD12 LEU A 29 12.618 -4.735 -41.085 1.00 0.00 H new ATOM 0 HD13 LEU A 29 11.054 -4.884 -40.248 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.623 -6.328 -42.563 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.913 -4.971 -41.656 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.053 -4.880 -43.428 1.00 0.00 H new ATOM 409 N ARG A 30 11.216 -0.030 -43.529 1.00 0.00 N ATOM 410 CA ARG A 30 10.999 1.397 -43.321 1.00 0.00 C ATOM 411 C ARG A 30 9.854 1.905 -44.193 1.00 0.00 C ATOM 412 O ARG A 30 8.995 2.656 -43.732 1.00 0.00 O ATOM 413 CB ARG A 30 12.277 2.179 -43.631 1.00 0.00 C ATOM 414 CG ARG A 30 13.405 1.917 -42.647 1.00 0.00 C ATOM 415 CD ARG A 30 14.656 2.699 -43.013 1.00 0.00 C ATOM 416 NE ARG A 30 14.452 4.141 -42.905 1.00 0.00 N ATOM 417 CZ ARG A 30 15.122 5.035 -43.624 1.00 0.00 C ATOM 418 NH1 ARG A 30 16.035 4.636 -44.499 1.00 0.00 N ATOM 419 NH2 ARG A 30 14.879 6.330 -43.469 1.00 0.00 N ATOM 0 H ARG A 30 12.172 -0.279 -43.785 1.00 0.00 H new ATOM 0 HA ARG A 30 10.732 1.551 -42.275 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.615 1.923 -44.635 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.049 3.245 -43.634 1.00 0.00 H new ATOM 0 HG2 ARG A 30 13.084 2.192 -41.642 1.00 0.00 H new ATOM 0 HG3 ARG A 30 13.633 0.851 -42.629 1.00 0.00 H new ATOM 0 HD2 ARG A 30 15.475 2.399 -42.359 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.954 2.450 -44.032 1.00 0.00 H new ATOM 0 HE ARG A 30 13.757 4.481 -42.241 1.00 0.00 H new ATOM 0 HH11 ARG A 30 16.224 3.641 -44.621 1.00 0.00 H new ATOM 0 HH12 ARG A 30 16.548 5.324 -45.050 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.177 6.640 -42.797 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.394 7.015 -44.022 1.00 0.00 H new ATOM 433 N LYS A 31 9.850 1.491 -45.455 1.00 0.00 N ATOM 434 CA LYS A 31 8.812 1.903 -46.392 1.00 0.00 C ATOM 435 C LYS A 31 7.460 1.317 -45.999 1.00 0.00 C ATOM 436 O LYS A 31 6.413 1.798 -46.434 1.00 0.00 O ATOM 437 CB LYS A 31 9.176 1.466 -47.813 1.00 0.00 C ATOM 438 CG LYS A 31 8.837 0.014 -48.108 1.00 0.00 C ATOM 439 CD LYS A 31 9.337 -0.407 -49.479 1.00 0.00 C ATOM 440 CE LYS A 31 10.857 -0.439 -49.533 1.00 0.00 C ATOM 441 NZ LYS A 31 11.355 -1.346 -50.604 1.00 0.00 N ATOM 0 H LYS A 31 10.555 0.870 -45.853 1.00 0.00 H new ATOM 0 HA LYS A 31 8.740 2.990 -46.360 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.654 2.104 -48.526 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.244 1.620 -47.970 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.280 -0.626 -47.345 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.757 -0.127 -48.054 1.00 0.00 H new ATOM 0 HD2 LYS A 31 8.942 -1.393 -49.724 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.960 0.284 -50.233 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.236 0.569 -49.705 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.248 -0.766 -48.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.242 -0.969 -50.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.526 -2.292 -50.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.645 -1.412 -51.361 1.00 0.00 H new ATOM 455 N HIS A 32 7.489 0.276 -45.172 1.00 0.00 N ATOM 456 CA HIS A 32 6.265 -0.374 -44.718 1.00 0.00 C ATOM 457 C HIS A 32 5.678 0.354 -43.513 1.00 0.00 C ATOM 458 O HIS A 32 4.893 -0.214 -42.753 1.00 0.00 O ATOM 459 CB HIS A 32 6.541 -1.835 -44.362 1.00 0.00 C ATOM 460 CG HIS A 32 6.565 -2.747 -45.550 1.00 0.00 C ATOM 461 ND1 HIS A 32 5.554 -2.789 -46.487 1.00 0.00 N ATOM 462 CD2 HIS A 32 7.485 -3.655 -45.951 1.00 0.00 C ATOM 463 CE1 HIS A 32 5.851 -3.683 -47.412 1.00 0.00 C ATOM 464 NE2 HIS A 32 7.018 -4.223 -47.111 1.00 0.00 N ATOM 0 H HIS A 32 8.347 -0.135 -44.803 1.00 0.00 H new ATOM 0 HA HIS A 32 5.540 -0.337 -45.531 1.00 0.00 H new ATOM 0 HB2 HIS A 32 7.499 -1.900 -43.845 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.778 -2.181 -43.664 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.709 -2.218 -46.468 1.00 0.00 H new ATOM 0 HD2 HIS A 32 8.414 -3.889 -45.452 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.243 -3.931 -48.269 1.00 0.00 H new ATOM 472 N THR A 33 6.064 1.615 -43.343 1.00 0.00 N ATOM 473 CA THR A 33 5.578 2.419 -42.230 1.00 0.00 C ATOM 474 C THR A 33 4.259 3.099 -42.578 1.00 0.00 C ATOM 475 O THR A 33 4.021 3.463 -43.729 1.00 0.00 O ATOM 476 CB THR A 33 6.604 3.493 -41.822 1.00 0.00 C ATOM 477 OG1 THR A 33 6.857 4.372 -42.924 1.00 0.00 O ATOM 478 CG2 THR A 33 7.907 2.852 -41.369 1.00 0.00 C ATOM 0 H THR A 33 6.712 2.101 -43.963 1.00 0.00 H new ATOM 0 HA THR A 33 5.423 1.738 -41.393 1.00 0.00 H new ATOM 0 HB THR A 33 6.190 4.063 -40.990 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.600 4.021 -43.459 1.00 0.00 H new ATOM 0 HG21 THR A 33 8.616 3.630 -41.086 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.716 2.206 -40.512 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.324 2.260 -42.184 1.00 0.00 H new ATOM 486 N GLY A 34 3.403 3.269 -41.574 1.00 0.00 N ATOM 487 CA GLY A 34 2.117 3.906 -41.795 1.00 0.00 C ATOM 488 C GLY A 34 0.962 2.930 -41.697 1.00 0.00 C ATOM 489 O GLY A 34 0.234 2.721 -42.667 1.00 0.00 O ATOM 0 H GLY A 34 3.577 2.977 -40.612 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.979 4.702 -41.063 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.111 4.373 -42.780 1.00 0.00 H new ATOM 493 N GLU A 35 0.794 2.330 -40.523 1.00 0.00 N ATOM 494 CA GLU A 35 -0.280 1.368 -40.304 1.00 0.00 C ATOM 495 C GLU A 35 -1.107 1.746 -39.078 1.00 0.00 C ATOM 496 O GLU A 35 -0.733 2.635 -38.313 1.00 0.00 O ATOM 497 CB GLU A 35 0.293 -0.040 -40.132 1.00 0.00 C ATOM 498 CG GLU A 35 1.441 -0.113 -39.139 1.00 0.00 C ATOM 499 CD GLU A 35 2.201 -1.422 -39.221 1.00 0.00 C ATOM 500 OE1 GLU A 35 1.799 -2.387 -38.538 1.00 0.00 O ATOM 501 OE2 GLU A 35 3.200 -1.482 -39.970 1.00 0.00 O ATOM 0 H GLU A 35 1.387 2.493 -39.709 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.930 1.383 -41.179 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.503 -0.709 -39.805 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.637 -0.404 -41.100 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.128 0.713 -39.322 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.051 0.014 -38.129 1.00 0.00 H new ATOM 508 N LYS A 36 -2.233 1.065 -38.899 1.00 0.00 N ATOM 509 CA LYS A 36 -3.114 1.326 -37.767 1.00 0.00 C ATOM 510 C LYS A 36 -2.494 0.823 -36.467 1.00 0.00 C ATOM 511 O LYS A 36 -2.582 -0.362 -36.144 1.00 0.00 O ATOM 512 CB LYS A 36 -4.474 0.660 -37.988 1.00 0.00 C ATOM 513 CG LYS A 36 -5.422 1.481 -38.844 1.00 0.00 C ATOM 514 CD LYS A 36 -6.872 1.239 -38.460 1.00 0.00 C ATOM 515 CE LYS A 36 -7.759 2.404 -38.871 1.00 0.00 C ATOM 516 NZ LYS A 36 -7.375 3.666 -38.181 1.00 0.00 N ATOM 0 H LYS A 36 -2.558 0.327 -39.524 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.253 2.404 -37.689 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.321 -0.311 -38.459 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.940 0.475 -37.020 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.188 2.540 -38.735 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.276 1.229 -39.894 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.227 0.324 -38.935 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.944 1.088 -37.383 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.694 2.546 -39.950 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.798 2.167 -38.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.127 3.942 -37.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.488 3.520 -37.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.241 4.420 -38.885 1.00 0.00 H new ATOM 530 N PHE A 37 -1.869 1.731 -35.725 1.00 0.00 N ATOM 531 CA PHE A 37 -1.235 1.378 -34.459 1.00 0.00 C ATOM 532 C PHE A 37 -2.220 1.515 -33.301 1.00 0.00 C ATOM 533 O PHE A 37 -2.579 2.624 -32.906 1.00 0.00 O ATOM 534 CB PHE A 37 -0.013 2.265 -34.212 1.00 0.00 C ATOM 535 CG PHE A 37 0.745 2.602 -35.464 1.00 0.00 C ATOM 536 CD1 PHE A 37 1.606 1.681 -36.038 1.00 0.00 C ATOM 537 CD2 PHE A 37 0.597 3.841 -36.067 1.00 0.00 C ATOM 538 CE1 PHE A 37 2.306 1.989 -37.189 1.00 0.00 C ATOM 539 CE2 PHE A 37 1.294 4.155 -37.219 1.00 0.00 C ATOM 540 CZ PHE A 37 2.149 3.227 -37.781 1.00 0.00 C ATOM 0 H PHE A 37 -1.788 2.716 -35.978 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.914 0.338 -34.519 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.336 3.189 -33.732 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.657 1.761 -33.515 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.732 0.711 -35.581 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.071 4.570 -35.632 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.975 1.262 -37.625 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.170 5.124 -37.679 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.694 3.469 -38.682 1.00 0.00 H new ATOM 550 N ALA A 38 -2.652 0.379 -32.763 1.00 0.00 N ATOM 551 CA ALA A 38 -3.593 0.372 -31.650 1.00 0.00 C ATOM 552 C ALA A 38 -2.907 0.770 -30.348 1.00 0.00 C ATOM 553 O ALA A 38 -1.703 0.568 -30.182 1.00 0.00 O ATOM 554 CB ALA A 38 -4.236 -1.001 -31.512 1.00 0.00 C ATOM 0 H ALA A 38 -2.366 -0.547 -33.080 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.371 1.107 -31.859 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.937 -0.992 -30.677 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.769 -1.247 -32.430 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.463 -1.748 -31.330 1.00 0.00 H new ATOM 560 N CYS A 39 -3.679 1.336 -29.426 1.00 0.00 N ATOM 561 CA CYS A 39 -3.145 1.764 -28.139 1.00 0.00 C ATOM 562 C CYS A 39 -2.843 0.562 -27.249 1.00 0.00 C ATOM 563 O CYS A 39 -3.631 -0.381 -27.173 1.00 0.00 O ATOM 564 CB CYS A 39 -4.135 2.696 -27.438 1.00 0.00 C ATOM 565 SG CYS A 39 -3.600 3.241 -25.784 1.00 0.00 S ATOM 0 H CYS A 39 -4.677 1.509 -29.547 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.215 2.303 -28.320 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.296 3.574 -28.064 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.095 2.188 -27.348 1.00 0.00 H new ATOM 570 N ASP A 40 -1.698 0.604 -26.577 1.00 0.00 N ATOM 571 CA ASP A 40 -1.292 -0.481 -25.690 1.00 0.00 C ATOM 572 C ASP A 40 -1.933 -0.327 -24.315 1.00 0.00 C ATOM 573 O ASP A 40 -1.446 -0.877 -23.327 1.00 0.00 O ATOM 574 CB ASP A 40 0.232 -0.514 -25.556 1.00 0.00 C ATOM 575 CG ASP A 40 0.750 -1.892 -25.195 1.00 0.00 C ATOM 576 OD1 ASP A 40 0.306 -2.877 -25.821 1.00 0.00 O ATOM 577 OD2 ASP A 40 1.602 -1.985 -24.286 1.00 0.00 O ATOM 0 H ASP A 40 -1.035 1.377 -26.629 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.631 -1.421 -26.125 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.684 -0.193 -26.495 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.543 0.200 -24.793 1.00 0.00 H new ATOM 582 N TYR A 41 -3.027 0.424 -24.258 1.00 0.00 N ATOM 583 CA TYR A 41 -3.733 0.653 -23.003 1.00 0.00 C ATOM 584 C TYR A 41 -5.227 0.390 -23.163 1.00 0.00 C ATOM 585 O TYR A 41 -5.887 -0.091 -22.242 1.00 0.00 O ATOM 586 CB TYR A 41 -3.504 2.086 -22.519 1.00 0.00 C ATOM 587 CG TYR A 41 -2.047 2.428 -22.306 1.00 0.00 C ATOM 588 CD1 TYR A 41 -1.139 2.371 -23.356 1.00 0.00 C ATOM 589 CD2 TYR A 41 -1.579 2.810 -21.055 1.00 0.00 C ATOM 590 CE1 TYR A 41 0.193 2.682 -23.165 1.00 0.00 C ATOM 591 CE2 TYR A 41 -0.248 3.124 -20.855 1.00 0.00 C ATOM 592 CZ TYR A 41 0.634 3.058 -21.914 1.00 0.00 C ATOM 593 OH TYR A 41 1.960 3.370 -21.720 1.00 0.00 O ATOM 0 H TYR A 41 -3.444 0.885 -25.067 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.338 -0.041 -22.261 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.928 2.778 -23.246 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.044 2.235 -21.584 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.480 2.079 -24.338 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.267 2.863 -20.224 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.886 2.631 -23.992 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.100 3.419 -19.876 1.00 0.00 H new ATOM 0 HH TYR A 41 2.104 3.616 -20.782 1.00 0.00 H new ATOM 603 N CYS A 42 -5.755 0.710 -24.340 1.00 0.00 N ATOM 604 CA CYS A 42 -7.171 0.510 -24.624 1.00 0.00 C ATOM 605 C CYS A 42 -7.377 0.048 -26.063 1.00 0.00 C ATOM 606 O CYS A 42 -6.415 -0.196 -26.792 1.00 0.00 O ATOM 607 CB CYS A 42 -7.950 1.803 -24.374 1.00 0.00 C ATOM 608 SG CYS A 42 -7.544 3.150 -25.531 1.00 0.00 S ATOM 0 H CYS A 42 -5.223 1.109 -25.113 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.544 -0.266 -23.956 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.017 1.590 -24.440 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.755 2.141 -23.356 1.00 0.00 H new ATOM 613 N SER A 43 -8.638 -0.069 -26.466 1.00 0.00 N ATOM 614 CA SER A 43 -8.971 -0.505 -27.818 1.00 0.00 C ATOM 615 C SER A 43 -8.941 0.670 -28.790 1.00 0.00 C ATOM 616 O SER A 43 -9.703 0.711 -29.756 1.00 0.00 O ATOM 617 CB SER A 43 -10.352 -1.163 -27.838 1.00 0.00 C ATOM 618 OG SER A 43 -10.274 -2.525 -27.457 1.00 0.00 O ATOM 0 H SER A 43 -9.446 0.132 -25.876 1.00 0.00 H new ATOM 0 HA SER A 43 -8.224 -1.234 -28.133 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.021 -0.631 -27.162 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.781 -1.086 -28.837 1.00 0.00 H new ATOM 0 HG SER A 43 -11.170 -2.922 -27.476 1.00 0.00 H new ATOM 624 N PHE A 44 -8.054 1.625 -28.528 1.00 0.00 N ATOM 625 CA PHE A 44 -7.924 2.802 -29.379 1.00 0.00 C ATOM 626 C PHE A 44 -6.995 2.522 -30.556 1.00 0.00 C ATOM 627 O PHE A 44 -6.182 1.597 -30.515 1.00 0.00 O ATOM 628 CB PHE A 44 -7.395 3.987 -28.568 1.00 0.00 C ATOM 629 CG PHE A 44 -7.014 5.169 -29.413 1.00 0.00 C ATOM 630 CD1 PHE A 44 -7.952 6.135 -29.739 1.00 0.00 C ATOM 631 CD2 PHE A 44 -5.718 5.313 -29.881 1.00 0.00 C ATOM 632 CE1 PHE A 44 -7.603 7.223 -30.517 1.00 0.00 C ATOM 633 CE2 PHE A 44 -5.364 6.399 -30.659 1.00 0.00 C ATOM 634 CZ PHE A 44 -6.308 7.356 -30.976 1.00 0.00 C ATOM 0 H PHE A 44 -7.415 1.607 -27.733 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.911 3.049 -29.769 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.155 4.294 -27.850 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.526 3.665 -27.994 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.966 6.037 -29.382 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.976 4.568 -29.635 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.343 7.969 -30.766 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.351 6.499 -31.019 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.033 8.207 -31.582 1.00 0.00 H new ATOM 644 N THR A 45 -7.121 3.327 -31.607 1.00 0.00 N ATOM 645 CA THR A 45 -6.295 3.166 -32.797 1.00 0.00 C ATOM 646 C THR A 45 -6.056 4.505 -33.485 1.00 0.00 C ATOM 647 O THR A 45 -6.858 5.431 -33.358 1.00 0.00 O ATOM 648 CB THR A 45 -6.942 2.193 -33.801 1.00 0.00 C ATOM 649 OG1 THR A 45 -8.327 2.514 -33.972 1.00 0.00 O ATOM 650 CG2 THR A 45 -6.804 0.755 -33.327 1.00 0.00 C ATOM 0 H THR A 45 -7.788 4.097 -31.658 1.00 0.00 H new ATOM 0 HA THR A 45 -5.341 2.755 -32.467 1.00 0.00 H new ATOM 0 HB THR A 45 -6.426 2.295 -34.756 1.00 0.00 H new ATOM 0 HG1 THR A 45 -8.730 1.892 -34.613 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.268 0.087 -34.052 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.748 0.505 -33.227 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.297 0.641 -32.361 1.00 0.00 H new ATOM 658 N CYS A 46 -4.949 4.600 -34.214 1.00 0.00 N ATOM 659 CA CYS A 46 -4.604 5.827 -34.923 1.00 0.00 C ATOM 660 C CYS A 46 -3.831 5.518 -36.201 1.00 0.00 C ATOM 661 O CYS A 46 -3.347 4.402 -36.391 1.00 0.00 O ATOM 662 CB CYS A 46 -3.778 6.746 -34.022 1.00 0.00 C ATOM 663 SG CYS A 46 -3.998 8.508 -34.364 1.00 0.00 S ATOM 0 H CYS A 46 -4.276 3.843 -34.329 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.530 6.333 -35.194 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.044 6.553 -32.983 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.723 6.494 -34.133 1.00 0.00 H new ATOM 0 HG CYS A 46 -4.376 9.117 -33.279 1.00 0.00 H new ATOM 669 N LEU A 47 -3.721 6.512 -37.074 1.00 0.00 N ATOM 670 CA LEU A 47 -3.008 6.347 -38.336 1.00 0.00 C ATOM 671 C LEU A 47 -1.709 7.146 -38.337 1.00 0.00 C ATOM 672 O LEU A 47 -1.276 7.646 -39.375 1.00 0.00 O ATOM 673 CB LEU A 47 -3.891 6.786 -39.505 1.00 0.00 C ATOM 674 CG LEU A 47 -4.915 5.762 -39.996 1.00 0.00 C ATOM 675 CD1 LEU A 47 -5.889 6.405 -40.970 1.00 0.00 C ATOM 676 CD2 LEU A 47 -4.214 4.576 -40.644 1.00 0.00 C ATOM 0 H LEU A 47 -4.116 7.441 -36.932 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.763 5.291 -38.450 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.424 7.691 -39.212 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.245 7.053 -40.341 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.479 5.400 -39.137 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.610 5.661 -41.308 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.415 7.220 -40.473 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.341 6.796 -41.828 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.958 3.857 -40.988 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.624 4.921 -41.493 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.558 4.099 -39.916 1.00 0.00 H new ATOM 688 N SER A 48 -1.090 7.260 -37.166 1.00 0.00 N ATOM 689 CA SER A 48 0.159 8.000 -37.031 1.00 0.00 C ATOM 690 C SER A 48 0.747 7.824 -35.634 1.00 0.00 C ATOM 691 O SER A 48 0.261 8.407 -34.664 1.00 0.00 O ATOM 692 CB SER A 48 -0.070 9.486 -37.316 1.00 0.00 C ATOM 693 OG SER A 48 -1.190 9.976 -36.600 1.00 0.00 O ATOM 0 H SER A 48 -1.433 6.849 -36.298 1.00 0.00 H new ATOM 0 HA SER A 48 0.868 7.603 -37.758 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.819 10.054 -37.040 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.224 9.635 -38.385 1.00 0.00 H new ATOM 0 HG SER A 48 -1.110 10.947 -36.492 1.00 0.00 H new ATOM 699 N LYS A 49 1.796 7.014 -35.538 1.00 0.00 N ATOM 700 CA LYS A 49 2.453 6.760 -34.261 1.00 0.00 C ATOM 701 C LYS A 49 2.477 8.019 -33.401 1.00 0.00 C ATOM 702 O LYS A 49 2.116 7.987 -32.226 1.00 0.00 O ATOM 703 CB LYS A 49 3.881 6.258 -34.490 1.00 0.00 C ATOM 704 CG LYS A 49 4.601 6.968 -35.624 1.00 0.00 C ATOM 705 CD LYS A 49 5.648 6.074 -36.265 1.00 0.00 C ATOM 706 CE LYS A 49 5.794 6.365 -37.751 1.00 0.00 C ATOM 707 NZ LYS A 49 6.570 7.611 -37.999 1.00 0.00 N ATOM 0 H LYS A 49 2.210 6.522 -36.330 1.00 0.00 H new ATOM 0 HA LYS A 49 1.885 5.993 -33.735 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.454 6.385 -33.571 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.852 5.189 -34.702 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.877 7.280 -36.377 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.076 7.873 -35.245 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.607 6.221 -35.768 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.372 5.029 -36.123 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.290 5.525 -38.238 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.806 6.457 -38.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.647 7.774 -39.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.084 8.417 -37.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.522 7.514 -37.591 1.00 0.00 H new ATOM 721 N GLY A 50 2.903 9.129 -33.997 1.00 0.00 N ATOM 722 CA GLY A 50 2.965 10.384 -33.270 1.00 0.00 C ATOM 723 C GLY A 50 1.701 10.658 -32.478 1.00 0.00 C ATOM 724 O GLY A 50 1.756 10.903 -31.273 1.00 0.00 O ATOM 0 H GLY A 50 3.206 9.181 -34.970 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.818 10.366 -32.592 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.134 11.200 -33.973 1.00 0.00 H new ATOM 728 N HIS A 51 0.559 10.618 -33.157 1.00 0.00 N ATOM 729 CA HIS A 51 -0.724 10.865 -32.509 1.00 0.00 C ATOM 730 C HIS A 51 -0.981 9.843 -31.405 1.00 0.00 C ATOM 731 O HIS A 51 -1.359 10.202 -30.289 1.00 0.00 O ATOM 732 CB HIS A 51 -1.856 10.819 -33.536 1.00 0.00 C ATOM 733 CG HIS A 51 -2.125 12.139 -34.190 1.00 0.00 C ATOM 734 ND1 HIS A 51 -2.752 12.260 -35.412 1.00 0.00 N ATOM 735 CD2 HIS A 51 -1.850 13.401 -33.784 1.00 0.00 C ATOM 736 CE1 HIS A 51 -2.850 13.538 -35.730 1.00 0.00 C ATOM 737 NE2 HIS A 51 -2.310 14.252 -34.758 1.00 0.00 N ATOM 0 H HIS A 51 0.496 10.417 -34.155 1.00 0.00 H new ATOM 0 HA HIS A 51 -0.691 11.858 -32.060 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -1.609 10.086 -34.304 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.766 10.473 -33.046 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.360 13.685 -32.865 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.296 13.933 -36.631 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -2.245 15.270 -34.735 1.00 0.00 H new ATOM 745 N LEU A 52 -0.775 8.571 -31.725 1.00 0.00 N ATOM 746 CA LEU A 52 -0.986 7.496 -30.761 1.00 0.00 C ATOM 747 C LEU A 52 -0.311 7.818 -29.431 1.00 0.00 C ATOM 748 O LEU A 52 -0.895 7.628 -28.364 1.00 0.00 O ATOM 749 CB LEU A 52 -0.445 6.176 -31.313 1.00 0.00 C ATOM 750 CG LEU A 52 -0.242 5.055 -30.293 1.00 0.00 C ATOM 751 CD1 LEU A 52 -1.554 4.716 -29.603 1.00 0.00 C ATOM 752 CD2 LEU A 52 0.343 3.822 -30.966 1.00 0.00 C ATOM 0 H LEU A 52 -0.462 8.258 -32.644 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.058 7.399 -30.590 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.129 5.820 -32.083 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.509 6.373 -31.801 1.00 0.00 H new ATOM 0 HG LEU A 52 0.463 5.401 -29.537 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.389 3.916 -28.881 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.932 5.598 -29.087 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.282 4.390 -30.346 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.481 3.034 -30.225 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.338 3.474 -31.743 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.305 4.073 -31.412 1.00 0.00 H new ATOM 764 N LYS A 53 0.922 8.309 -29.502 1.00 0.00 N ATOM 765 CA LYS A 53 1.676 8.661 -28.305 1.00 0.00 C ATOM 766 C LYS A 53 0.923 9.693 -27.472 1.00 0.00 C ATOM 767 O LYS A 53 0.812 9.561 -26.253 1.00 0.00 O ATOM 768 CB LYS A 53 3.054 9.206 -28.688 1.00 0.00 C ATOM 769 CG LYS A 53 3.794 9.855 -27.531 1.00 0.00 C ATOM 770 CD LYS A 53 5.239 10.155 -27.891 1.00 0.00 C ATOM 771 CE LYS A 53 6.107 8.910 -27.798 1.00 0.00 C ATOM 772 NZ LYS A 53 6.659 8.720 -26.428 1.00 0.00 N ATOM 0 H LYS A 53 1.420 8.472 -30.377 1.00 0.00 H new ATOM 0 HA LYS A 53 1.802 7.759 -27.706 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.660 8.392 -29.085 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.937 9.936 -29.489 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.289 10.779 -27.248 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.764 9.196 -26.663 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.287 10.558 -28.903 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.630 10.923 -27.223 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.519 8.036 -28.077 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.927 8.984 -28.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.245 7.861 -26.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.241 9.543 -26.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.877 8.623 -25.749 1.00 0.00 H new ATOM 786 N VAL A 54 0.405 10.721 -28.138 1.00 0.00 N ATOM 787 CA VAL A 54 -0.340 11.774 -27.459 1.00 0.00 C ATOM 788 C VAL A 54 -1.578 11.214 -26.769 1.00 0.00 C ATOM 789 O VAL A 54 -1.890 11.581 -25.635 1.00 0.00 O ATOM 790 CB VAL A 54 -0.769 12.881 -28.441 1.00 0.00 C ATOM 791 CG1 VAL A 54 -1.580 13.948 -27.722 1.00 0.00 C ATOM 792 CG2 VAL A 54 0.448 13.491 -29.119 1.00 0.00 C ATOM 0 H VAL A 54 0.488 10.846 -29.147 1.00 0.00 H new ATOM 0 HA VAL A 54 0.327 12.201 -26.710 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.400 12.436 -29.210 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.874 14.721 -28.432 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.472 13.496 -27.288 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.976 14.392 -26.931 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.127 14.271 -29.809 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.107 13.922 -28.365 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.984 12.718 -29.669 1.00 0.00 H new ATOM 802 N HIS A 55 -2.282 10.323 -27.460 1.00 0.00 N ATOM 803 CA HIS A 55 -3.488 9.710 -26.913 1.00 0.00 C ATOM 804 C HIS A 55 -3.252 9.229 -25.485 1.00 0.00 C ATOM 805 O HIS A 55 -4.111 9.388 -24.617 1.00 0.00 O ATOM 806 CB HIS A 55 -3.934 8.541 -27.791 1.00 0.00 C ATOM 807 CG HIS A 55 -4.797 7.549 -27.074 1.00 0.00 C ATOM 808 ND1 HIS A 55 -6.142 7.748 -26.845 1.00 0.00 N ATOM 809 CD2 HIS A 55 -4.499 6.344 -26.534 1.00 0.00 C ATOM 810 CE1 HIS A 55 -6.634 6.709 -26.195 1.00 0.00 C ATOM 811 NE2 HIS A 55 -5.658 5.842 -25.994 1.00 0.00 N ATOM 0 H HIS A 55 -2.038 10.009 -28.400 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.275 10.464 -26.898 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.479 8.930 -28.651 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.052 8.030 -28.178 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.674 8.569 -27.133 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.530 5.866 -26.529 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.660 6.589 -25.881 1.00 0.00 H new ATOM 819 N ILE A 56 -2.085 8.640 -25.249 1.00 0.00 N ATOM 820 CA ILE A 56 -1.737 8.137 -23.926 1.00 0.00 C ATOM 821 C ILE A 56 -1.330 9.273 -22.994 1.00 0.00 C ATOM 822 O ILE A 56 -1.673 9.273 -21.812 1.00 0.00 O ATOM 823 CB ILE A 56 -0.591 7.111 -23.997 1.00 0.00 C ATOM 824 CG1 ILE A 56 -1.004 5.910 -24.851 1.00 0.00 C ATOM 825 CG2 ILE A 56 -0.194 6.662 -22.599 1.00 0.00 C ATOM 826 CD1 ILE A 56 0.164 5.197 -25.495 1.00 0.00 C ATOM 0 H ILE A 56 -1.364 8.499 -25.957 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.628 7.648 -23.531 1.00 0.00 H new ATOM 0 HB ILE A 56 0.272 7.585 -24.464 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.552 5.203 -24.228 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.688 6.246 -25.630 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.617 5.937 -22.666 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.137 7.524 -22.020 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.051 6.203 -22.107 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.203 4.357 -26.085 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.700 5.889 -26.144 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.838 4.830 -24.721 1.00 0.00 H new ATOM 838 N GLU A 57 -0.598 10.242 -23.536 1.00 0.00 N ATOM 839 CA GLU A 57 -0.145 11.385 -22.752 1.00 0.00 C ATOM 840 C GLU A 57 -1.318 12.287 -22.377 1.00 0.00 C ATOM 841 O GLU A 57 -1.182 13.188 -21.550 1.00 0.00 O ATOM 842 CB GLU A 57 0.898 12.186 -23.534 1.00 0.00 C ATOM 843 CG GLU A 57 2.039 11.338 -24.071 1.00 0.00 C ATOM 844 CD GLU A 57 3.201 11.243 -23.102 1.00 0.00 C ATOM 845 OE1 GLU A 57 3.143 10.397 -22.186 1.00 0.00 O ATOM 846 OE2 GLU A 57 4.170 12.015 -23.261 1.00 0.00 O ATOM 0 H GLU A 57 -0.307 10.258 -24.513 1.00 0.00 H new ATOM 0 HA GLU A 57 0.309 11.008 -21.835 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.407 12.690 -24.367 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.307 12.963 -22.888 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.670 10.336 -24.290 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.389 11.761 -25.012 1.00 0.00 H new ATOM 853 N ARG A 58 -2.470 12.036 -22.992 1.00 0.00 N ATOM 854 CA ARG A 58 -3.666 12.825 -22.725 1.00 0.00 C ATOM 855 C ARG A 58 -4.750 11.967 -22.079 1.00 0.00 C ATOM 856 O ARG A 58 -5.524 12.447 -21.251 1.00 0.00 O ATOM 857 CB ARG A 58 -4.195 13.443 -24.021 1.00 0.00 C ATOM 858 CG ARG A 58 -5.138 12.533 -24.790 1.00 0.00 C ATOM 859 CD ARG A 58 -5.494 13.118 -26.147 1.00 0.00 C ATOM 860 NE ARG A 58 -6.400 14.258 -26.031 1.00 0.00 N ATOM 861 CZ ARG A 58 -6.001 15.523 -26.099 1.00 0.00 C ATOM 862 NH1 ARG A 58 -4.719 15.809 -26.282 1.00 0.00 N ATOM 863 NH2 ARG A 58 -6.885 16.506 -25.984 1.00 0.00 N ATOM 0 H ARG A 58 -2.600 11.293 -23.678 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.397 13.623 -22.033 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.713 14.373 -23.785 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.351 13.702 -24.661 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.674 11.556 -24.924 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.048 12.376 -24.210 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.583 13.430 -26.658 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.958 12.348 -26.763 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.393 14.072 -25.890 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.036 15.056 -26.371 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.416 16.782 -26.334 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.872 16.290 -25.843 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.577 17.477 -26.036 1.00 0.00 H new ATOM 877 N VAL A 59 -4.799 10.696 -22.464 1.00 0.00 N ATOM 878 CA VAL A 59 -5.787 9.771 -21.922 1.00 0.00 C ATOM 879 C VAL A 59 -5.192 8.925 -20.802 1.00 0.00 C ATOM 880 O VAL A 59 -5.645 8.983 -19.658 1.00 0.00 O ATOM 881 CB VAL A 59 -6.342 8.839 -23.015 1.00 0.00 C ATOM 882 CG1 VAL A 59 -7.395 7.905 -22.437 1.00 0.00 C ATOM 883 CG2 VAL A 59 -6.912 9.650 -24.168 1.00 0.00 C ATOM 0 H VAL A 59 -4.166 10.283 -23.149 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.601 10.376 -21.523 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.523 8.231 -23.399 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.776 7.254 -23.224 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.950 7.299 -21.648 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.215 8.492 -22.024 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.300 8.975 -24.931 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.718 10.286 -23.802 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.127 10.272 -24.599 1.00 0.00 H new ATOM 893 N HIS A 60 -4.174 8.140 -21.138 1.00 0.00 N ATOM 894 CA HIS A 60 -3.515 7.282 -20.160 1.00 0.00 C ATOM 895 C HIS A 60 -2.314 7.989 -19.539 1.00 0.00 C ATOM 896 O HIS A 60 -1.245 7.397 -19.380 1.00 0.00 O ATOM 897 CB HIS A 60 -3.069 5.974 -20.815 1.00 0.00 C ATOM 898 CG HIS A 60 -4.162 5.278 -21.566 1.00 0.00 C ATOM 899 ND1 HIS A 60 -5.097 4.468 -20.955 1.00 0.00 N ATOM 900 CD2 HIS A 60 -4.467 5.274 -22.884 1.00 0.00 C ATOM 901 CE1 HIS A 60 -5.929 3.996 -21.866 1.00 0.00 C ATOM 902 NE2 HIS A 60 -5.568 4.470 -23.045 1.00 0.00 N ATOM 0 H HIS A 60 -3.787 8.080 -22.080 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.231 7.058 -19.370 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.245 6.181 -21.498 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.684 5.304 -20.046 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -5.139 4.265 -19.956 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -3.942 5.805 -23.664 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.762 3.335 -21.679 1.00 0.00 H new ATOM 910 N LYS A 61 -2.496 9.258 -19.189 1.00 0.00 N ATOM 911 CA LYS A 61 -1.428 10.046 -18.585 1.00 0.00 C ATOM 912 C LYS A 61 -1.259 9.693 -17.111 1.00 0.00 C ATOM 913 O LYS A 61 -2.216 9.308 -16.440 1.00 0.00 O ATOM 914 CB LYS A 61 -1.724 11.540 -18.732 1.00 0.00 C ATOM 915 CG LYS A 61 -0.906 12.417 -17.800 1.00 0.00 C ATOM 916 CD LYS A 61 0.574 12.365 -18.142 1.00 0.00 C ATOM 917 CE LYS A 61 0.963 13.475 -19.107 1.00 0.00 C ATOM 918 NZ LYS A 61 2.346 13.297 -19.629 1.00 0.00 N ATOM 0 H LYS A 61 -3.374 9.763 -19.313 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.499 9.813 -19.105 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.531 11.840 -19.762 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.784 11.712 -18.543 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.259 13.446 -17.864 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.054 12.092 -16.770 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.163 12.453 -17.229 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.813 11.397 -18.584 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.260 13.495 -19.940 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.886 14.438 -18.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.573 14.073 -20.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.020 13.304 -18.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.413 12.390 -20.133 1.00 0.00 H new ATOM 932 N LYS A 62 -0.034 9.828 -16.612 1.00 0.00 N ATOM 933 CA LYS A 62 0.261 9.526 -15.217 1.00 0.00 C ATOM 934 C LYS A 62 0.031 8.048 -14.919 1.00 0.00 C ATOM 935 O LYS A 62 -0.721 7.698 -14.009 1.00 0.00 O ATOM 936 CB LYS A 62 -0.606 10.384 -14.293 1.00 0.00 C ATOM 937 CG LYS A 62 0.034 11.708 -13.914 1.00 0.00 C ATOM 938 CD LYS A 62 -0.601 12.298 -12.666 1.00 0.00 C ATOM 939 CE LYS A 62 -0.096 11.612 -11.406 1.00 0.00 C ATOM 940 NZ LYS A 62 -0.886 12.004 -10.206 1.00 0.00 N ATOM 0 H LYS A 62 0.770 10.145 -17.154 1.00 0.00 H new ATOM 0 HA LYS A 62 1.311 9.756 -15.037 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.561 10.578 -14.782 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.821 9.821 -13.385 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.101 11.562 -13.746 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.066 12.411 -14.741 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.381 13.364 -12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.685 12.199 -12.726 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.146 10.531 -11.536 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.952 11.866 -11.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.511 11.515 -9.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.818 13.032 -10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.882 11.739 -10.344 1.00 0.00 H new ATOM 954 N ILE A 63 0.683 7.185 -15.691 1.00 0.00 N ATOM 955 CA ILE A 63 0.551 5.745 -15.507 1.00 0.00 C ATOM 956 C ILE A 63 1.917 5.071 -15.445 1.00 0.00 C ATOM 957 O ILE A 63 2.899 5.580 -15.988 1.00 0.00 O ATOM 958 CB ILE A 63 -0.273 5.107 -16.641 1.00 0.00 C ATOM 959 CG1 ILE A 63 -0.620 3.657 -16.294 1.00 0.00 C ATOM 960 CG2 ILE A 63 0.492 5.174 -17.954 1.00 0.00 C ATOM 961 CD1 ILE A 63 -1.667 3.052 -17.204 1.00 0.00 C ATOM 0 H ILE A 63 1.308 7.458 -16.450 1.00 0.00 H new ATOM 0 HA ILE A 63 0.031 5.594 -14.561 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.201 5.667 -16.755 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.286 3.053 -16.344 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.976 3.613 -15.265 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.103 4.719 -18.746 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.694 6.215 -18.205 1.00 0.00 H new ATOM 0 HG23 ILE A 63 1.434 4.636 -17.854 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.863 2.024 -16.900 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.587 3.632 -17.136 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.306 3.063 -18.232 1.00 0.00 H new ATOM 973 N LYS A 64 1.974 3.922 -14.781 1.00 0.00 N ATOM 974 CA LYS A 64 3.219 3.174 -14.650 1.00 0.00 C ATOM 975 C LYS A 64 3.959 3.110 -15.982 1.00 0.00 C ATOM 976 O LYS A 64 3.340 3.122 -17.046 1.00 0.00 O ATOM 977 CB LYS A 64 2.937 1.758 -14.142 1.00 0.00 C ATOM 978 CG LYS A 64 2.410 1.716 -12.718 1.00 0.00 C ATOM 979 CD LYS A 64 3.543 1.655 -11.707 1.00 0.00 C ATOM 980 CE LYS A 64 3.077 1.067 -10.384 1.00 0.00 C ATOM 981 NZ LYS A 64 2.722 -0.373 -10.511 1.00 0.00 N ATOM 0 H LYS A 64 1.172 3.488 -14.325 1.00 0.00 H new ATOM 0 HA LYS A 64 3.850 3.693 -13.929 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.213 1.282 -14.803 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.854 1.171 -14.199 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.799 2.599 -12.529 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.763 0.848 -12.594 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.358 1.052 -12.108 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.939 2.657 -11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.864 1.183 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.212 1.624 -10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.805 -0.834 -9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.744 -0.461 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.368 -0.832 -11.184 1.00 0.00 H new ATOM 995 N GLN A 65 5.284 3.041 -15.915 1.00 0.00 N ATOM 996 CA GLN A 65 6.107 2.974 -17.118 1.00 0.00 C ATOM 997 C GLN A 65 7.276 2.014 -16.924 1.00 0.00 C ATOM 998 O GLN A 65 8.084 2.180 -16.010 1.00 0.00 O ATOM 999 CB GLN A 65 6.628 4.365 -17.483 1.00 0.00 C ATOM 1000 CG GLN A 65 5.525 5.386 -17.714 1.00 0.00 C ATOM 1001 CD GLN A 65 5.893 6.767 -17.206 1.00 0.00 C ATOM 1002 OE1 GLN A 65 7.052 7.035 -16.888 1.00 0.00 O ATOM 1003 NE2 GLN A 65 4.906 7.651 -17.129 1.00 0.00 N ATOM 0 H GLN A 65 5.811 3.030 -15.042 1.00 0.00 H new ATOM 0 HA GLN A 65 5.486 2.602 -17.933 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.280 4.721 -16.685 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.238 4.291 -18.383 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.304 5.442 -18.780 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.615 5.051 -17.217 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.960 7.385 -17.403 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.093 8.597 -16.796 1.00 0.00 H new ATOM 1012 N HIS A 66 7.361 1.010 -17.791 1.00 0.00 N ATOM 1013 CA HIS A 66 8.433 0.024 -17.716 1.00 0.00 C ATOM 1014 C HIS A 66 9.365 0.141 -18.919 1.00 0.00 C ATOM 1015 O HIS A 66 9.034 -0.304 -20.019 1.00 0.00 O ATOM 1016 CB HIS A 66 7.851 -1.388 -17.643 1.00 0.00 C ATOM 1017 CG HIS A 66 7.237 -1.850 -18.928 1.00 0.00 C ATOM 1018 ND1 HIS A 66 5.968 -1.488 -19.329 1.00 0.00 N ATOM 1019 CD2 HIS A 66 7.725 -2.649 -19.906 1.00 0.00 C ATOM 1020 CE1 HIS A 66 5.702 -2.045 -20.497 1.00 0.00 C ATOM 1021 NE2 HIS A 66 6.752 -2.755 -20.869 1.00 0.00 N ATOM 0 H HIS A 66 6.701 0.858 -18.553 1.00 0.00 H new ATOM 0 HA HIS A 66 9.010 0.219 -16.812 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.640 -2.083 -17.357 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.097 -1.421 -16.857 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.699 -3.116 -19.925 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.782 -1.938 -21.053 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.828 -3.294 -21.731 1.00 0.00 H new ATOM 1029 N CYS A 67 10.530 0.742 -18.702 1.00 0.00 N ATOM 1030 CA CYS A 67 11.509 0.919 -19.767 1.00 0.00 C ATOM 1031 C CYS A 67 11.697 -0.375 -20.554 1.00 0.00 C ATOM 1032 O CYS A 67 11.398 -1.462 -20.061 1.00 0.00 O ATOM 1033 CB CYS A 67 12.849 1.375 -19.186 1.00 0.00 C ATOM 1034 SG CYS A 67 14.036 1.971 -20.433 1.00 0.00 S ATOM 0 H CYS A 67 10.819 1.115 -17.798 1.00 0.00 H new ATOM 0 HA CYS A 67 11.135 1.685 -20.446 1.00 0.00 H new ATOM 0 HB2 CYS A 67 12.668 2.170 -18.463 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.298 0.545 -18.640 1.00 0.00 H new ATOM 1039 N ARG A 68 12.194 -0.248 -21.780 1.00 0.00 N ATOM 1040 CA ARG A 68 12.421 -1.407 -22.636 1.00 0.00 C ATOM 1041 C ARG A 68 13.911 -1.718 -22.746 1.00 0.00 C ATOM 1042 O ARG A 68 14.299 -2.799 -23.189 1.00 0.00 O ATOM 1043 CB ARG A 68 11.836 -1.162 -24.028 1.00 0.00 C ATOM 1044 CG ARG A 68 12.648 -0.188 -24.867 1.00 0.00 C ATOM 1045 CD ARG A 68 12.680 -0.605 -26.329 1.00 0.00 C ATOM 1046 NE ARG A 68 13.420 0.346 -27.154 1.00 0.00 N ATOM 1047 CZ ARG A 68 12.888 1.456 -27.653 1.00 0.00 C ATOM 1048 NH1 ARG A 68 11.618 1.753 -27.412 1.00 0.00 N ATOM 1049 NH2 ARG A 68 13.626 2.271 -28.394 1.00 0.00 N ATOM 0 H ARG A 68 12.447 0.645 -22.203 1.00 0.00 H new ATOM 0 HA ARG A 68 11.921 -2.264 -22.185 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.766 -2.113 -24.556 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.820 -0.780 -23.924 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.221 0.811 -24.782 1.00 0.00 H new ATOM 0 HG3 ARG A 68 13.666 -0.134 -24.481 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.137 -1.591 -26.415 1.00 0.00 H new ATOM 0 HD3 ARG A 68 11.660 -0.692 -26.703 1.00 0.00 H new ATOM 0 HE ARG A 68 14.399 0.147 -27.358 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.047 1.128 -26.842 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.212 2.606 -27.796 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.603 2.046 -28.581 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.217 3.123 -28.777 1.00 0.00 H new ATOM 1063 N PHE A 69 14.741 -0.762 -22.340 1.00 0.00 N ATOM 1064 CA PHE A 69 16.188 -0.934 -22.395 1.00 0.00 C ATOM 1065 C PHE A 69 16.699 -1.647 -21.146 1.00 0.00 C ATOM 1066 O PHE A 69 17.416 -2.644 -21.236 1.00 0.00 O ATOM 1067 CB PHE A 69 16.878 0.424 -22.538 1.00 0.00 C ATOM 1068 CG PHE A 69 16.504 1.157 -23.795 1.00 0.00 C ATOM 1069 CD1 PHE A 69 17.223 0.965 -24.965 1.00 0.00 C ATOM 1070 CD2 PHE A 69 15.435 2.037 -23.807 1.00 0.00 C ATOM 1071 CE1 PHE A 69 16.881 1.638 -26.122 1.00 0.00 C ATOM 1072 CE2 PHE A 69 15.088 2.713 -24.962 1.00 0.00 C ATOM 1073 CZ PHE A 69 15.812 2.513 -26.121 1.00 0.00 C ATOM 0 H PHE A 69 14.437 0.138 -21.970 1.00 0.00 H new ATOM 0 HA PHE A 69 16.423 -1.548 -23.264 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.626 1.043 -21.677 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.958 0.278 -22.520 1.00 0.00 H new ATOM 0 HD1 PHE A 69 18.059 0.282 -24.972 1.00 0.00 H new ATOM 0 HD2 PHE A 69 14.866 2.197 -22.903 1.00 0.00 H new ATOM 0 HE1 PHE A 69 17.449 1.480 -27.027 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.252 3.397 -24.958 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.543 3.040 -27.025 1.00 0.00 H new ATOM 1083 N CYS A 70 16.325 -1.128 -19.981 1.00 0.00 N ATOM 1084 CA CYS A 70 16.744 -1.713 -18.714 1.00 0.00 C ATOM 1085 C CYS A 70 15.542 -2.225 -17.926 1.00 0.00 C ATOM 1086 O CYS A 70 15.597 -2.358 -16.703 1.00 0.00 O ATOM 1087 CB CYS A 70 17.511 -0.683 -17.882 1.00 0.00 C ATOM 1088 SG CYS A 70 16.610 0.878 -17.616 1.00 0.00 S ATOM 0 H CYS A 70 15.732 -0.303 -19.889 1.00 0.00 H new ATOM 0 HA CYS A 70 17.399 -2.556 -18.932 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.752 -1.121 -16.913 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.457 -0.464 -18.377 1.00 0.00 H new ATOM 1093 N LYS A 71 14.456 -2.511 -18.636 1.00 0.00 N ATOM 1094 CA LYS A 71 13.239 -3.010 -18.006 1.00 0.00 C ATOM 1095 C LYS A 71 13.036 -2.374 -16.634 1.00 0.00 C ATOM 1096 O LYS A 71 12.548 -3.018 -15.705 1.00 0.00 O ATOM 1097 CB LYS A 71 13.298 -4.533 -17.869 1.00 0.00 C ATOM 1098 CG LYS A 71 13.368 -5.261 -19.201 1.00 0.00 C ATOM 1099 CD LYS A 71 12.045 -5.191 -19.945 1.00 0.00 C ATOM 1100 CE LYS A 71 11.072 -6.250 -19.452 1.00 0.00 C ATOM 1101 NZ LYS A 71 9.926 -6.429 -20.387 1.00 0.00 N ATOM 0 H LYS A 71 14.394 -2.406 -19.649 1.00 0.00 H new ATOM 0 HA LYS A 71 12.395 -2.741 -18.641 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.169 -4.802 -17.271 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.418 -4.875 -17.323 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.155 -4.823 -19.815 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.637 -6.304 -19.033 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.605 -4.202 -19.815 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.219 -5.324 -21.013 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.596 -7.198 -19.334 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.697 -5.969 -18.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.286 -7.159 -20.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.410 -5.531 -20.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.281 -6.722 -21.319 1.00 0.00 H new ATOM 1115 N LYS A 72 13.413 -1.106 -16.514 1.00 0.00 N ATOM 1116 CA LYS A 72 13.271 -0.381 -15.257 1.00 0.00 C ATOM 1117 C LYS A 72 11.918 0.320 -15.183 1.00 0.00 C ATOM 1118 O LYS A 72 11.434 0.864 -16.176 1.00 0.00 O ATOM 1119 CB LYS A 72 14.397 0.644 -15.105 1.00 0.00 C ATOM 1120 CG LYS A 72 15.715 0.038 -14.657 1.00 0.00 C ATOM 1121 CD LYS A 72 16.714 1.110 -14.255 1.00 0.00 C ATOM 1122 CE LYS A 72 17.664 0.610 -13.177 1.00 0.00 C ATOM 1123 NZ LYS A 72 16.993 0.505 -11.852 1.00 0.00 N ATOM 0 H LYS A 72 13.820 -0.559 -17.273 1.00 0.00 H new ATOM 0 HA LYS A 72 13.332 -1.102 -14.442 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.546 1.152 -16.058 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.092 1.402 -14.384 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.541 -0.632 -13.815 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.132 -0.565 -15.464 1.00 0.00 H new ATOM 0 HD2 LYS A 72 17.286 1.422 -15.129 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.180 1.989 -13.892 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.057 -0.365 -13.463 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.515 1.287 -13.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.711 0.411 -11.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.426 1.360 -11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.373 -0.330 -11.842 1.00 0.00 H new ATOM 1137 N LYS A 73 11.312 0.304 -14.001 1.00 0.00 N ATOM 1138 CA LYS A 73 10.016 0.939 -13.796 1.00 0.00 C ATOM 1139 C LYS A 73 10.184 2.406 -13.410 1.00 0.00 C ATOM 1140 O LYS A 73 11.126 2.768 -12.705 1.00 0.00 O ATOM 1141 CB LYS A 73 9.229 0.202 -12.710 1.00 0.00 C ATOM 1142 CG LYS A 73 8.452 -0.995 -13.228 1.00 0.00 C ATOM 1143 CD LYS A 73 7.845 -1.801 -12.092 1.00 0.00 C ATOM 1144 CE LYS A 73 6.683 -2.656 -12.573 1.00 0.00 C ATOM 1145 NZ LYS A 73 7.112 -3.654 -13.591 1.00 0.00 N ATOM 0 H LYS A 73 11.698 -0.143 -13.169 1.00 0.00 H new ATOM 0 HA LYS A 73 9.463 0.889 -14.734 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.920 -0.131 -11.936 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.535 0.899 -12.240 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.661 -0.655 -13.897 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.113 -1.633 -13.815 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.609 -2.440 -11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.501 -1.126 -11.309 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.237 -3.173 -11.723 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.911 -2.014 -12.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.306 -4.261 -13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.452 -3.159 -14.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.878 -4.240 -13.202 1.00 0.00 H new ATOM 1159 N TYR A 74 9.264 3.244 -13.875 1.00 0.00 N ATOM 1160 CA TYR A 74 9.312 4.671 -13.579 1.00 0.00 C ATOM 1161 C TYR A 74 7.931 5.193 -13.193 1.00 0.00 C ATOM 1162 O TYR A 74 6.961 5.020 -13.931 1.00 0.00 O ATOM 1163 CB TYR A 74 9.844 5.446 -14.785 1.00 0.00 C ATOM 1164 CG TYR A 74 11.353 5.468 -14.873 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.074 4.298 -15.078 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.059 6.658 -14.750 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.453 4.312 -15.158 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.438 6.683 -14.830 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.130 5.508 -15.034 1.00 0.00 C ATOM 1170 OH TYR A 74 15.504 5.528 -15.113 1.00 0.00 O ATOM 0 H TYR A 74 8.477 2.960 -14.458 1.00 0.00 H new ATOM 0 HA TYR A 74 9.986 4.819 -12.735 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.442 5.004 -15.697 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.476 6.471 -14.739 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.547 3.361 -15.177 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.520 7.580 -14.589 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.998 3.393 -15.317 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.971 7.617 -14.733 1.00 0.00 H new ATOM 0 HH TYR A 74 15.809 4.802 -15.697 1.00 0.00 H new ATOM 1180 N SER A 75 7.852 5.835 -12.032 1.00 0.00 N ATOM 1181 CA SER A 75 6.590 6.381 -11.545 1.00 0.00 C ATOM 1182 C SER A 75 6.318 7.750 -12.159 1.00 0.00 C ATOM 1183 O SER A 75 5.587 8.563 -11.592 1.00 0.00 O ATOM 1184 CB SER A 75 6.612 6.489 -10.019 1.00 0.00 C ATOM 1185 OG SER A 75 6.316 5.242 -9.415 1.00 0.00 O ATOM 0 H SER A 75 8.646 5.990 -11.411 1.00 0.00 H new ATOM 0 HA SER A 75 5.790 5.703 -11.843 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.593 6.832 -9.690 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.887 7.235 -9.694 1.00 0.00 H new ATOM 0 HG SER A 75 6.338 5.337 -8.440 1.00 0.00 H new ATOM 1191 N ASP A 76 6.910 7.998 -13.322 1.00 0.00 N ATOM 1192 CA ASP A 76 6.732 9.268 -14.016 1.00 0.00 C ATOM 1193 C ASP A 76 7.319 9.207 -15.423 1.00 0.00 C ATOM 1194 O ASP A 76 8.371 8.605 -15.642 1.00 0.00 O ATOM 1195 CB ASP A 76 7.387 10.402 -13.226 1.00 0.00 C ATOM 1196 CG ASP A 76 6.493 10.930 -12.121 1.00 0.00 C ATOM 1197 OD1 ASP A 76 5.466 11.565 -12.441 1.00 0.00 O ATOM 1198 OD2 ASP A 76 6.820 10.708 -10.937 1.00 0.00 O ATOM 0 H ASP A 76 7.518 7.336 -13.804 1.00 0.00 H new ATOM 0 HA ASP A 76 5.662 9.462 -14.096 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.322 10.047 -12.794 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.639 11.216 -13.906 1.00 0.00 H new ATOM 1203 N VAL A 77 6.632 9.832 -16.373 1.00 0.00 N ATOM 1204 CA VAL A 77 7.085 9.848 -17.759 1.00 0.00 C ATOM 1205 C VAL A 77 8.163 10.905 -17.972 1.00 0.00 C ATOM 1206 O VAL A 77 9.168 10.657 -18.640 1.00 0.00 O ATOM 1207 CB VAL A 77 5.918 10.117 -18.728 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.358 11.515 -18.514 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.369 9.930 -20.169 1.00 0.00 C ATOM 0 H VAL A 77 5.759 10.334 -16.209 1.00 0.00 H new ATOM 0 HA VAL A 77 7.500 8.862 -17.968 1.00 0.00 H new ATOM 0 HB VAL A 77 5.125 9.398 -18.523 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.535 11.687 -19.207 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.996 11.609 -17.490 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.141 12.252 -18.691 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.532 10.124 -20.840 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.180 10.624 -20.390 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.719 8.907 -20.311 1.00 0.00 H new ATOM 1219 N LYS A 78 7.948 12.085 -17.401 1.00 0.00 N ATOM 1220 CA LYS A 78 8.901 13.181 -17.526 1.00 0.00 C ATOM 1221 C LYS A 78 10.324 12.697 -17.265 1.00 0.00 C ATOM 1222 O LYS A 78 11.242 12.998 -18.027 1.00 0.00 O ATOM 1223 CB LYS A 78 8.547 14.306 -16.550 1.00 0.00 C ATOM 1224 CG LYS A 78 7.481 15.252 -17.074 1.00 0.00 C ATOM 1225 CD LYS A 78 8.037 16.188 -18.134 1.00 0.00 C ATOM 1226 CE LYS A 78 6.960 17.110 -18.684 1.00 0.00 C ATOM 1227 NZ LYS A 78 5.976 16.375 -19.526 1.00 0.00 N ATOM 0 H LYS A 78 7.121 12.307 -16.847 1.00 0.00 H new ATOM 0 HA LYS A 78 8.847 13.562 -18.546 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.203 13.868 -15.613 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.448 14.876 -16.324 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.656 14.676 -17.493 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.075 15.836 -16.249 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.844 16.784 -17.708 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.467 15.604 -18.947 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.440 17.594 -17.857 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.425 17.899 -19.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.340 17.055 -19.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.481 15.824 -20.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.418 15.733 -18.928 1.00 0.00 H new ATOM 1241 N ASN A 79 10.500 11.944 -16.184 1.00 0.00 N ATOM 1242 CA ASN A 79 11.811 11.417 -15.824 1.00 0.00 C ATOM 1243 C ASN A 79 12.244 10.324 -16.797 1.00 0.00 C ATOM 1244 O ASN A 79 13.389 10.300 -17.251 1.00 0.00 O ATOM 1245 CB ASN A 79 11.788 10.865 -14.397 1.00 0.00 C ATOM 1246 CG ASN A 79 11.866 11.962 -13.352 1.00 0.00 C ATOM 1247 OD1 ASN A 79 12.878 12.109 -12.666 1.00 0.00 O ATOM 1248 ND2 ASN A 79 10.796 12.737 -13.227 1.00 0.00 N ATOM 0 H ASN A 79 9.751 11.685 -15.542 1.00 0.00 H new ATOM 0 HA ASN A 79 12.531 12.234 -15.879 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.875 10.289 -14.248 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.624 10.178 -14.262 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.790 13.492 -12.541 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.979 12.578 -13.817 1.00 0.00 H new ATOM 1255 N LEU A 80 11.322 9.422 -17.113 1.00 0.00 N ATOM 1256 CA LEU A 80 11.608 8.326 -18.033 1.00 0.00 C ATOM 1257 C LEU A 80 12.283 8.841 -19.300 1.00 0.00 C ATOM 1258 O LEU A 80 13.172 8.189 -19.849 1.00 0.00 O ATOM 1259 CB LEU A 80 10.318 7.587 -18.392 1.00 0.00 C ATOM 1260 CG LEU A 80 10.467 6.401 -19.346 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.342 5.324 -18.724 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.103 5.836 -19.713 1.00 0.00 C ATOM 0 H LEU A 80 10.370 9.427 -16.746 1.00 0.00 H new ATOM 0 HA LEU A 80 12.289 7.635 -17.537 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.859 7.230 -17.470 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.626 8.301 -18.838 1.00 0.00 H new ATOM 0 HG LEU A 80 10.949 6.752 -20.258 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.437 4.488 -19.417 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.329 5.734 -18.513 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.887 4.977 -17.796 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.229 4.993 -20.392 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.593 5.501 -18.810 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.508 6.609 -20.200 1.00 0.00 H new ATOM 1274 N ILE A 81 11.857 10.013 -19.757 1.00 0.00 N ATOM 1275 CA ILE A 81 12.423 10.617 -20.957 1.00 0.00 C ATOM 1276 C ILE A 81 13.913 10.890 -20.784 1.00 0.00 C ATOM 1277 O ILE A 81 14.737 10.421 -21.570 1.00 0.00 O ATOM 1278 CB ILE A 81 11.709 11.933 -21.315 1.00 0.00 C ATOM 1279 CG1 ILE A 81 10.211 11.689 -21.514 1.00 0.00 C ATOM 1280 CG2 ILE A 81 12.322 12.545 -22.566 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.905 10.609 -22.528 1.00 0.00 C ATOM 0 H ILE A 81 11.121 10.564 -19.314 1.00 0.00 H new ATOM 0 HA ILE A 81 12.279 9.903 -21.768 1.00 0.00 H new ATOM 0 HB ILE A 81 11.837 12.634 -20.490 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.765 11.415 -20.558 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.739 12.619 -21.831 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.806 13.475 -22.806 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.378 12.750 -22.391 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.221 11.849 -23.399 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.825 10.490 -22.618 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.321 10.890 -23.496 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.348 9.668 -22.202 1.00 0.00 H new ATOM 1293 N LYS A 82 14.253 11.651 -19.750 1.00 0.00 N ATOM 1294 CA LYS A 82 15.645 11.985 -19.470 1.00 0.00 C ATOM 1295 C LYS A 82 16.470 10.725 -19.233 1.00 0.00 C ATOM 1296 O LYS A 82 17.550 10.562 -19.802 1.00 0.00 O ATOM 1297 CB LYS A 82 15.735 12.904 -18.249 1.00 0.00 C ATOM 1298 CG LYS A 82 17.157 13.294 -17.885 1.00 0.00 C ATOM 1299 CD LYS A 82 17.188 14.539 -17.014 1.00 0.00 C ATOM 1300 CE LYS A 82 16.737 15.770 -17.785 1.00 0.00 C ATOM 1301 NZ LYS A 82 17.002 17.025 -17.030 1.00 0.00 N ATOM 0 H LYS A 82 13.584 12.049 -19.091 1.00 0.00 H new ATOM 0 HA LYS A 82 16.050 12.504 -20.339 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.157 13.808 -18.442 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.274 12.407 -17.396 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.638 12.469 -17.360 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.731 13.471 -18.795 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.543 14.394 -16.148 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.198 14.695 -16.636 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.254 15.807 -18.744 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.671 15.694 -18.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.680 17.841 -17.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.489 17.001 -16.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.022 17.111 -16.847 1.00 0.00 H new ATOM 1315 N HIS A 83 15.955 9.834 -18.392 1.00 0.00 N ATOM 1316 CA HIS A 83 16.644 8.587 -18.082 1.00 0.00 C ATOM 1317 C HIS A 83 17.212 7.951 -19.347 1.00 0.00 C ATOM 1318 O HIS A 83 18.364 7.517 -19.371 1.00 0.00 O ATOM 1319 CB HIS A 83 15.691 7.611 -17.391 1.00 0.00 C ATOM 1320 CG HIS A 83 16.015 6.172 -17.650 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.104 5.534 -17.094 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.385 5.246 -18.410 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.131 4.278 -17.503 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.098 4.077 -18.302 1.00 0.00 N ATOM 0 H HIS A 83 15.062 9.953 -17.913 1.00 0.00 H new ATOM 0 HA HIS A 83 17.470 8.815 -17.408 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.715 7.792 -16.316 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.673 7.812 -17.726 1.00 0.00 H new ATOM 0 HD1 HIS A 83 17.782 5.964 -16.465 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.489 5.398 -18.993 1.00 0.00 H new ATOM 0 HE1 HIS A 83 17.872 3.541 -17.231 1.00 0.00 H new ATOM 1332 N ILE A 84 16.397 7.900 -20.395 1.00 0.00 N ATOM 1333 CA ILE A 84 16.819 7.318 -21.663 1.00 0.00 C ATOM 1334 C ILE A 84 17.834 8.212 -22.367 1.00 0.00 C ATOM 1335 O ILE A 84 18.865 7.741 -22.846 1.00 0.00 O ATOM 1336 CB ILE A 84 15.621 7.082 -22.601 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.687 6.021 -22.014 1.00 0.00 C ATOM 1338 CG2 ILE A 84 16.104 6.665 -23.982 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.267 6.117 -22.527 1.00 0.00 C ATOM 0 H ILE A 84 15.441 8.255 -20.391 1.00 0.00 H new ATOM 0 HA ILE A 84 17.282 6.359 -21.431 1.00 0.00 H new ATOM 0 HB ILE A 84 15.065 8.014 -22.698 1.00 0.00 H new ATOM 0 HG12 ILE A 84 15.082 5.032 -22.245 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.680 6.115 -20.928 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.246 6.502 -24.634 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.733 7.451 -24.400 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.680 5.743 -23.903 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.661 5.335 -22.069 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.853 7.093 -22.272 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.262 5.993 -23.610 1.00 0.00 H new ATOM 1351 N ARG A 85 17.534 9.506 -22.426 1.00 0.00 N ATOM 1352 CA ARG A 85 18.421 10.467 -23.071 1.00 0.00 C ATOM 1353 C ARG A 85 19.742 10.579 -22.317 1.00 0.00 C ATOM 1354 O ARG A 85 20.712 11.142 -22.825 1.00 0.00 O ATOM 1355 CB ARG A 85 17.749 11.839 -23.151 1.00 0.00 C ATOM 1356 CG ARG A 85 16.295 11.780 -23.590 1.00 0.00 C ATOM 1357 CD ARG A 85 16.146 12.097 -25.070 1.00 0.00 C ATOM 1358 NE ARG A 85 16.354 10.918 -25.905 1.00 0.00 N ATOM 1359 CZ ARG A 85 16.547 10.972 -27.219 1.00 0.00 C ATOM 1360 NH1 ARG A 85 16.560 12.143 -27.842 1.00 0.00 N ATOM 1361 NH2 ARG A 85 16.730 9.855 -27.911 1.00 0.00 N ATOM 0 H ARG A 85 16.684 9.913 -22.035 1.00 0.00 H new ATOM 0 HA ARG A 85 18.628 10.112 -24.080 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.806 12.319 -22.174 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.305 12.466 -23.848 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.893 10.787 -23.387 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.708 12.488 -23.004 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.151 12.502 -25.256 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.862 12.870 -25.349 1.00 0.00 H new ATOM 0 HE ARG A 85 16.351 10.002 -25.455 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.422 13.004 -27.313 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.708 12.183 -28.850 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.723 8.953 -27.435 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.878 9.898 -28.919 1.00 0.00 H new ATOM 1375 N ASP A 86 19.773 10.040 -21.103 1.00 0.00 N ATOM 1376 CA ASP A 86 20.975 10.079 -20.279 1.00 0.00 C ATOM 1377 C ASP A 86 21.758 8.775 -20.398 1.00 0.00 C ATOM 1378 O ASP A 86 22.955 8.783 -20.682 1.00 0.00 O ATOM 1379 CB ASP A 86 20.609 10.337 -18.817 1.00 0.00 C ATOM 1380 CG ASP A 86 20.507 11.815 -18.497 1.00 0.00 C ATOM 1381 OD1 ASP A 86 21.080 12.627 -19.254 1.00 0.00 O ATOM 1382 OD2 ASP A 86 19.855 12.161 -17.490 1.00 0.00 O ATOM 0 H ASP A 86 18.979 9.571 -20.668 1.00 0.00 H new ATOM 0 HA ASP A 86 21.604 10.894 -20.637 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.658 9.853 -18.593 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.359 9.880 -18.172 1.00 0.00 H new ATOM 1387 N ALA A 87 21.073 7.658 -20.178 1.00 0.00 N ATOM 1388 CA ALA A 87 21.704 6.346 -20.262 1.00 0.00 C ATOM 1389 C ALA A 87 21.505 5.728 -21.642 1.00 0.00 C ATOM 1390 O ALA A 87 22.467 5.330 -22.299 1.00 0.00 O ATOM 1391 CB ALA A 87 21.152 5.425 -19.184 1.00 0.00 C ATOM 0 H ALA A 87 20.081 7.635 -19.940 1.00 0.00 H new ATOM 0 HA ALA A 87 22.774 6.474 -20.102 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.632 4.449 -19.259 1.00 0.00 H new ATOM 0 HB2 ALA A 87 21.352 5.854 -18.202 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.076 5.312 -19.318 1.00 0.00 H new ATOM 1397 N HIS A 88 20.251 5.651 -22.075 1.00 0.00 N ATOM 1398 CA HIS A 88 19.926 5.080 -23.377 1.00 0.00 C ATOM 1399 C HIS A 88 19.917 6.159 -24.456 1.00 0.00 C ATOM 1400 O HIS A 88 18.964 6.273 -25.226 1.00 0.00 O ATOM 1401 CB HIS A 88 18.566 4.382 -23.327 1.00 0.00 C ATOM 1402 CG HIS A 88 18.386 3.508 -22.125 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.280 2.519 -21.772 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.407 3.479 -21.190 1.00 0.00 C ATOM 1405 CE1 HIS A 88 18.859 1.919 -20.674 1.00 0.00 C ATOM 1406 NE2 HIS A 88 17.724 2.482 -20.300 1.00 0.00 N ATOM 0 H HIS A 88 19.444 5.977 -21.544 1.00 0.00 H new ATOM 0 HA HIS A 88 20.693 4.347 -23.626 1.00 0.00 H new ATOM 0 HB2 HIS A 88 17.779 5.136 -23.339 1.00 0.00 H new ATOM 0 HB3 HIS A 88 18.443 3.779 -24.226 1.00 0.00 H new ATOM 0 HD1 HIS A 88 20.134 2.287 -22.280 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.539 4.120 -21.151 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.358 1.106 -20.168 1.00 0.00 H new ATOM 1414 N ASP A 89 20.984 6.949 -24.504 1.00 0.00 N ATOM 1415 CA ASP A 89 21.100 8.019 -25.489 1.00 0.00 C ATOM 1416 C ASP A 89 21.625 7.481 -26.817 1.00 0.00 C ATOM 1417 O ASP A 89 22.651 6.803 -26.878 1.00 0.00 O ATOM 1418 CB ASP A 89 22.025 9.121 -24.969 1.00 0.00 C ATOM 1419 CG ASP A 89 22.778 9.818 -26.085 1.00 0.00 C ATOM 1420 OD1 ASP A 89 22.147 10.150 -27.110 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.000 10.031 -25.934 1.00 0.00 O ATOM 0 H ASP A 89 21.781 6.869 -23.873 1.00 0.00 H new ATOM 0 HA ASP A 89 20.107 8.437 -25.654 1.00 0.00 H new ATOM 0 HB2 ASP A 89 21.437 9.855 -24.418 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.739 8.691 -24.266 1.00 0.00 H new ATOM 1426 N PRO A 90 20.905 7.788 -27.906 1.00 0.00 N ATOM 1427 CA PRO A 90 21.279 7.346 -29.252 1.00 0.00 C ATOM 1428 C PRO A 90 22.534 8.044 -29.764 1.00 0.00 C ATOM 1429 O PRO A 90 22.671 9.261 -29.643 1.00 0.00 O ATOM 1430 CB PRO A 90 20.067 7.734 -30.103 1.00 0.00 C ATOM 1431 CG PRO A 90 19.434 8.865 -29.367 1.00 0.00 C ATOM 1432 CD PRO A 90 19.672 8.593 -27.907 1.00 0.00 C ATOM 0 HA PRO A 90 21.514 6.282 -29.280 1.00 0.00 H new ATOM 0 HB2 PRO A 90 20.368 8.034 -31.107 1.00 0.00 H new ATOM 0 HB3 PRO A 90 19.377 6.898 -30.213 1.00 0.00 H new ATOM 0 HG2 PRO A 90 19.873 9.818 -29.663 1.00 0.00 H new ATOM 0 HG3 PRO A 90 18.368 8.924 -29.584 1.00 0.00 H new ATOM 0 HD2 PRO A 90 19.795 9.516 -27.341 1.00 0.00 H new ATOM 0 HD3 PRO A 90 18.839 8.052 -27.458 1.00 0.00 H new ATOM 1440 N GLN A 91 23.447 7.265 -30.337 1.00 0.00 N ATOM 1441 CA GLN A 91 24.691 7.810 -30.867 1.00 0.00 C ATOM 1442 C GLN A 91 24.565 8.103 -32.359 1.00 0.00 C ATOM 1443 O GLN A 91 24.710 7.207 -33.191 1.00 0.00 O ATOM 1444 CB GLN A 91 25.845 6.835 -30.622 1.00 0.00 C ATOM 1445 CG GLN A 91 27.134 7.231 -31.323 1.00 0.00 C ATOM 1446 CD GLN A 91 27.907 8.294 -30.567 1.00 0.00 C ATOM 1447 OE1 GLN A 91 27.390 8.906 -29.632 1.00 0.00 O ATOM 1448 NE2 GLN A 91 29.152 8.519 -30.969 1.00 0.00 N ATOM 0 H GLN A 91 23.348 6.256 -30.446 1.00 0.00 H new ATOM 0 HA GLN A 91 24.899 8.746 -30.348 1.00 0.00 H new ATOM 0 HB2 GLN A 91 26.030 6.766 -29.550 1.00 0.00 H new ATOM 0 HB3 GLN A 91 25.548 5.842 -30.959 1.00 0.00 H new ATOM 0 HG2 GLN A 91 27.762 6.349 -31.446 1.00 0.00 H new ATOM 0 HG3 GLN A 91 26.901 7.598 -32.323 1.00 0.00 H new ATOM 0 HE21 GLN A 91 29.540 7.988 -31.749 1.00 0.00 H new ATOM 0 HE22 GLN A 91 29.721 9.223 -30.498 1.00 0.00 H new ATOM 1457 N ASP A 92 24.295 9.361 -32.689 1.00 0.00 N ATOM 1458 CA ASP A 92 24.151 9.772 -34.080 1.00 0.00 C ATOM 1459 C ASP A 92 25.431 10.426 -34.589 1.00 0.00 C ATOM 1460 O ASP A 92 26.421 10.462 -33.859 1.00 0.00 O ATOM 1461 CB ASP A 92 22.975 10.739 -34.229 1.00 0.00 C ATOM 1462 CG ASP A 92 23.191 12.034 -33.472 1.00 0.00 C ATOM 1463 OD1 ASP A 92 24.071 12.821 -33.880 1.00 0.00 O ATOM 1464 OD2 ASP A 92 22.480 12.262 -32.471 1.00 0.00 O ATOM 0 H ASP A 92 24.171 10.114 -32.012 1.00 0.00 H new ATOM 0 HA ASP A 92 23.957 8.881 -34.678 1.00 0.00 H new ATOM 0 HB2 ASP A 92 22.822 10.960 -35.285 1.00 0.00 H new ATOM 0 HB3 ASP A 92 22.065 10.258 -33.869 1.00 0.00 H new TER 1469 ASP A 92 HETATM 1470 ZN ZN A 101 8.258 -5.638 -47.544 1.00 0.00 ZN HETATM 1471 ZN ZN A 102 -5.590 4.244 -24.944 1.00 0.00 ZN HETATM 1472 ZN ZN A 103 16.111 2.219 -19.276 1.00 0.00 ZN