USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 699 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 32 HIS HE2 : A 32 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 36 HIS HE2 : A 36 HIS NE2 : A 101 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 64 HIS HE2 : A 64 HIS NE2 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 68 SER OG : rot -75:sc= 0.729 USER MOD Set 1.2: A 73 SER OG : rot 130:sc= 0.223 USER MOD Set 1.3: A 80 LYS NZ :NH3+ -125:sc= 0.248 (180deg=-0.907) USER MOD Set 2.1: A 51 CYS SG : rot 120:sc= -0.283 USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 34 MET CE :methyl 177:sc= -0.467 (180deg=-0.295) USER MOD Set 3.2: A 43 GLN : amide:sc= -0.0681 K(o=-0.53,f=-3.1) USER MOD Set 3.3: A 50 THR OG1 : rot 170:sc= 0 USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 27 HIS : no HD1:sc= -0.088 X(o=-0.088,f=-0.0091) USER MOD Set 5.1: A 24 LYS NZ :NH3+ -178:sc= 0.666 (180deg=-0.0431) USER MOD Set 5.2: A 28 ASN : amide:sc= -0.041 K(o=0.62,f=-2.2) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 170:sc= 0.125 USER MOD Single : A 37 THR OG1 : rot 150:sc= -0.719 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.364 F(o=-2.7!,f=-0.36) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 61 MET CE :methyl -162:sc= -0.0976 (180deg=-0.542) USER MOD Single : A 62 LYS NZ :NH3+ 170:sc= -0.0168 (180deg=-0.137) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0131 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= -0.022 (180deg=-0.127) USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= -0.416 (180deg=-0.891) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -166:sc= -0.045 (180deg=-0.264) USER MOD Single : A 94 SER OG : rot -23:sc= 0.28 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 15.071 -9.247 19.894 1.00 0.00 N ATOM 2 CA HIS A 10 15.916 -9.327 18.687 1.00 0.00 C ATOM 3 C HIS A 10 16.360 -10.781 18.446 1.00 0.00 C ATOM 4 O HIS A 10 17.215 -11.302 19.169 1.00 0.00 O ATOM 5 CB HIS A 10 17.132 -8.366 18.794 1.00 0.00 C ATOM 6 CG HIS A 10 16.786 -6.906 18.625 1.00 0.00 C ATOM 7 ND1 HIS A 10 16.810 -6.276 17.400 1.00 0.00 N ATOM 8 CD2 HIS A 10 16.401 -5.965 19.519 1.00 0.00 C ATOM 9 CE1 HIS A 10 16.459 -5.018 17.543 1.00 0.00 C ATOM 10 NE2 HIS A 10 16.207 -4.796 18.821 1.00 0.00 N ATOM 0 HA HIS A 10 15.329 -9.007 17.826 1.00 0.00 H new ATOM 0 HB2 HIS A 10 17.606 -8.505 19.766 1.00 0.00 H new ATOM 0 HB3 HIS A 10 17.867 -8.643 18.038 1.00 0.00 H new ATOM 0 HD2 HIS A 10 16.271 -6.106 20.582 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.388 -4.288 16.750 1.00 0.00 H new ATOM 0 HE2 HIS A 10 15.917 -3.905 19.223 1.00 0.00 H new ATOM 19 N MET A 11 15.718 -11.434 17.452 1.00 0.00 N ATOM 20 CA MET A 11 16.099 -12.781 16.961 1.00 0.00 C ATOM 21 C MET A 11 15.358 -13.072 15.645 1.00 0.00 C ATOM 22 O MET A 11 15.921 -13.664 14.718 1.00 0.00 O ATOM 23 CB MET A 11 15.823 -13.904 18.015 1.00 0.00 C ATOM 24 CG MET A 11 14.350 -14.119 18.394 1.00 0.00 C ATOM 25 SD MET A 11 14.136 -15.407 19.644 1.00 0.00 S ATOM 26 CE MET A 11 12.351 -15.445 19.820 1.00 0.00 C ATOM 0 H MET A 11 14.914 -11.040 16.963 1.00 0.00 H new ATOM 0 HA MET A 11 17.175 -12.782 16.786 1.00 0.00 H new ATOM 0 HB2 MET A 11 16.220 -14.843 17.630 1.00 0.00 H new ATOM 0 HB3 MET A 11 16.381 -13.670 18.922 1.00 0.00 H new ATOM 0 HG2 MET A 11 13.934 -13.183 18.767 1.00 0.00 H new ATOM 0 HG3 MET A 11 13.784 -14.386 17.502 1.00 0.00 H new ATOM 0 HE1 MET A 11 12.074 -16.196 20.560 1.00 0.00 H new ATOM 0 HE2 MET A 11 11.997 -14.467 20.145 1.00 0.00 H new ATOM 0 HE3 MET A 11 11.896 -15.696 18.862 1.00 0.00 H new ATOM 36 N ARG A 12 14.088 -12.642 15.578 1.00 0.00 N ATOM 37 CA ARG A 12 13.236 -12.777 14.375 1.00 0.00 C ATOM 38 C ARG A 12 12.942 -11.365 13.835 1.00 0.00 C ATOM 39 O ARG A 12 11.920 -11.102 13.194 1.00 0.00 O ATOM 40 CB ARG A 12 11.936 -13.550 14.764 1.00 0.00 C ATOM 41 CG ARG A 12 11.041 -14.022 13.587 1.00 0.00 C ATOM 42 CD ARG A 12 9.722 -14.658 14.081 1.00 0.00 C ATOM 43 NE ARG A 12 9.957 -15.779 15.018 1.00 0.00 N ATOM 44 CZ ARG A 12 9.139 -16.142 16.025 1.00 0.00 C ATOM 45 NH1 ARG A 12 7.979 -15.519 16.229 1.00 0.00 N ATOM 46 NH2 ARG A 12 9.491 -17.144 16.818 1.00 0.00 N ATOM 0 H ARG A 12 13.616 -12.187 16.360 1.00 0.00 H new ATOM 0 HA ARG A 12 13.732 -13.345 13.588 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.220 -14.424 15.351 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.339 -12.910 15.414 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.815 -13.174 12.941 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.588 -14.746 12.983 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.116 -13.897 14.573 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.151 -15.016 13.225 1.00 0.00 H new ATOM 0 HE ARG A 12 10.810 -16.323 14.891 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.697 -14.753 15.617 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.373 -15.808 16.997 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.373 -17.632 16.663 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.880 -17.427 17.584 1.00 0.00 H new ATOM 60 N ASP A 13 13.917 -10.474 14.055 1.00 0.00 N ATOM 61 CA ASP A 13 13.773 -9.035 13.839 1.00 0.00 C ATOM 62 C ASP A 13 14.819 -8.608 12.814 1.00 0.00 C ATOM 63 O ASP A 13 15.921 -8.160 13.147 1.00 0.00 O ATOM 64 CB ASP A 13 13.931 -8.271 15.172 1.00 0.00 C ATOM 65 CG ASP A 13 12.911 -8.710 16.244 1.00 0.00 C ATOM 66 OD1 ASP A 13 13.170 -9.714 16.951 1.00 0.00 O ATOM 67 OD2 ASP A 13 11.845 -8.072 16.384 1.00 0.00 O ATOM 0 H ASP A 13 14.842 -10.740 14.393 1.00 0.00 H new ATOM 0 HA ASP A 13 12.779 -8.800 13.459 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.940 -8.424 15.555 1.00 0.00 H new ATOM 0 HB3 ASP A 13 13.819 -7.203 14.987 1.00 0.00 H new ATOM 72 N TYR A 14 14.462 -8.850 11.572 1.00 0.00 N ATOM 73 CA TYR A 14 15.292 -8.610 10.393 1.00 0.00 C ATOM 74 C TYR A 14 15.261 -7.126 10.042 1.00 0.00 C ATOM 75 O TYR A 14 14.198 -6.565 9.740 1.00 0.00 O ATOM 76 CB TYR A 14 14.765 -9.462 9.224 1.00 0.00 C ATOM 77 CG TYR A 14 14.943 -10.976 9.445 1.00 0.00 C ATOM 78 CD1 TYR A 14 14.063 -11.707 10.251 1.00 0.00 C ATOM 79 CD2 TYR A 14 16.001 -11.667 8.857 1.00 0.00 C ATOM 80 CE1 TYR A 14 14.233 -13.067 10.449 1.00 0.00 C ATOM 81 CE2 TYR A 14 16.171 -13.020 9.051 1.00 0.00 C ATOM 82 CZ TYR A 14 15.290 -13.715 9.845 1.00 0.00 C ATOM 83 OH TYR A 14 15.472 -15.067 10.031 1.00 0.00 O ATOM 0 H TYR A 14 13.548 -9.236 11.337 1.00 0.00 H new ATOM 0 HA TYR A 14 16.325 -8.893 10.596 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.707 -9.246 9.074 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.283 -9.172 8.310 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.236 -11.201 10.727 1.00 0.00 H new ATOM 0 HD2 TYR A 14 16.703 -11.130 8.236 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.543 -13.616 11.072 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.996 -13.534 8.580 1.00 0.00 H new ATOM 0 HH TYR A 14 16.263 -15.362 9.533 1.00 0.00 H new ATOM 93 N ILE A 15 16.429 -6.495 10.089 1.00 0.00 N ATOM 94 CA ILE A 15 16.550 -5.051 9.966 1.00 0.00 C ATOM 95 C ILE A 15 17.066 -4.691 8.566 1.00 0.00 C ATOM 96 O ILE A 15 18.183 -5.056 8.205 1.00 0.00 O ATOM 97 CB ILE A 15 17.506 -4.456 11.077 1.00 0.00 C ATOM 98 CG1 ILE A 15 17.077 -4.925 12.498 1.00 0.00 C ATOM 99 CG2 ILE A 15 17.588 -2.908 10.998 1.00 0.00 C ATOM 100 CD1 ILE A 15 15.651 -4.601 12.866 1.00 0.00 C ATOM 0 H ILE A 15 17.321 -6.974 10.214 1.00 0.00 H new ATOM 0 HA ILE A 15 15.563 -4.611 10.110 1.00 0.00 H new ATOM 0 HB ILE A 15 18.507 -4.843 10.884 1.00 0.00 H new ATOM 0 HG12 ILE A 15 17.220 -6.003 12.568 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.740 -4.467 13.232 1.00 0.00 H new ATOM 0 HG21 ILE A 15 18.254 -2.539 11.778 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.973 -2.613 10.022 1.00 0.00 H new ATOM 0 HG23 ILE A 15 16.594 -2.483 11.139 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.443 -4.965 13.872 1.00 0.00 H new ATOM 0 HD12 ILE A 15 15.503 -3.522 12.833 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.975 -5.081 12.159 1.00 0.00 H new ATOM 112 N CYS A 16 16.211 -4.045 7.754 1.00 0.00 N ATOM 113 CA CYS A 16 16.653 -3.298 6.571 1.00 0.00 C ATOM 114 C CYS A 16 17.610 -2.184 7.004 1.00 0.00 C ATOM 115 O CYS A 16 17.161 -1.219 7.621 1.00 0.00 O ATOM 116 CB CYS A 16 15.475 -2.654 5.812 1.00 0.00 C ATOM 117 SG CYS A 16 15.955 -1.898 4.224 1.00 0.00 S ATOM 0 H CYS A 16 15.202 -4.028 7.901 1.00 0.00 H new ATOM 0 HA CYS A 16 17.144 -4.008 5.905 1.00 0.00 H new ATOM 0 HB2 CYS A 16 14.714 -3.413 5.628 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.019 -1.892 6.444 1.00 0.00 H new ATOM 122 N GLU A 17 18.910 -2.462 6.803 1.00 0.00 N ATOM 123 CA GLU A 17 20.055 -1.515 6.728 1.00 0.00 C ATOM 124 C GLU A 17 19.924 -0.233 7.597 1.00 0.00 C ATOM 125 O GLU A 17 20.648 -0.043 8.586 1.00 0.00 O ATOM 126 CB GLU A 17 20.262 -1.128 5.233 1.00 0.00 C ATOM 127 CG GLU A 17 20.248 -2.326 4.255 1.00 0.00 C ATOM 128 CD GLU A 17 20.018 -1.917 2.790 1.00 0.00 C ATOM 129 OE1 GLU A 17 18.855 -1.606 2.428 1.00 0.00 O ATOM 130 OE2 GLU A 17 20.985 -1.896 2.001 1.00 0.00 O ATOM 0 H GLU A 17 19.220 -3.426 6.678 1.00 0.00 H new ATOM 0 HA GLU A 17 20.916 -2.036 7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 17 19.481 -0.427 4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 17 21.213 -0.605 5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 17 21.196 -2.859 4.331 1.00 0.00 H new ATOM 0 HG3 GLU A 17 19.466 -3.023 4.557 1.00 0.00 H new ATOM 137 N TYR A 18 18.926 0.591 7.242 1.00 0.00 N ATOM 138 CA TYR A 18 18.793 1.980 7.729 1.00 0.00 C ATOM 139 C TYR A 18 17.415 2.208 8.378 1.00 0.00 C ATOM 140 O TYR A 18 17.295 2.850 9.421 1.00 0.00 O ATOM 141 CB TYR A 18 18.969 2.954 6.535 1.00 0.00 C ATOM 142 CG TYR A 18 19.304 4.394 6.944 1.00 0.00 C ATOM 143 CD1 TYR A 18 20.229 4.634 7.952 1.00 0.00 C ATOM 144 CD2 TYR A 18 18.692 5.496 6.350 1.00 0.00 C ATOM 145 CE1 TYR A 18 20.538 5.907 8.357 1.00 0.00 C ATOM 146 CE2 TYR A 18 18.996 6.786 6.749 1.00 0.00 C ATOM 147 CZ TYR A 18 19.923 6.988 7.762 1.00 0.00 C ATOM 148 OH TYR A 18 20.249 8.272 8.167 1.00 0.00 O ATOM 0 H TYR A 18 18.181 0.313 6.604 1.00 0.00 H new ATOM 0 HA TYR A 18 19.560 2.162 8.482 1.00 0.00 H new ATOM 0 HB2 TYR A 18 19.761 2.578 5.887 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.052 2.959 5.946 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.717 3.797 8.429 1.00 0.00 H new ATOM 0 HD2 TYR A 18 17.968 5.341 5.564 1.00 0.00 H new ATOM 0 HE1 TYR A 18 21.263 6.063 9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 18 18.515 7.629 6.275 1.00 0.00 H new ATOM 0 HH TYR A 18 19.728 8.921 7.649 1.00 0.00 H new ATOM 158 N CYS A 19 16.400 1.644 7.742 1.00 0.00 N ATOM 159 CA CYS A 19 14.980 2.010 7.973 1.00 0.00 C ATOM 160 C CYS A 19 14.340 1.225 9.123 1.00 0.00 C ATOM 161 O CYS A 19 13.671 1.807 9.983 1.00 0.00 O ATOM 162 CB CYS A 19 14.173 1.754 6.678 1.00 0.00 C ATOM 163 SG CYS A 19 15.187 1.826 5.189 1.00 0.00 S ATOM 0 H CYS A 19 16.522 0.912 7.042 1.00 0.00 H new ATOM 0 HA CYS A 19 14.960 3.064 8.249 1.00 0.00 H new ATOM 0 HB2 CYS A 19 13.698 0.775 6.740 1.00 0.00 H new ATOM 0 HB3 CYS A 19 13.374 2.492 6.603 1.00 0.00 H new ATOM 168 N ALA A 20 14.569 -0.099 9.120 1.00 0.00 N ATOM 169 CA ALA A 20 13.676 -1.057 9.785 1.00 0.00 C ATOM 170 C ALA A 20 13.651 -0.938 11.309 1.00 0.00 C ATOM 171 O ALA A 20 14.702 -0.962 11.964 1.00 0.00 O ATOM 172 CB ALA A 20 14.045 -2.475 9.406 1.00 0.00 C ATOM 0 H ALA A 20 15.371 -0.530 8.661 1.00 0.00 H new ATOM 0 HA ALA A 20 12.675 -0.809 9.433 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.374 -3.172 9.907 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.956 -2.598 8.327 1.00 0.00 H new ATOM 0 HB3 ALA A 20 15.072 -2.678 9.711 1.00 0.00 H new ATOM 178 N ARG A 21 12.427 -0.809 11.842 1.00 0.00 N ATOM 179 CA ARG A 21 12.147 -1.063 13.252 1.00 0.00 C ATOM 180 C ARG A 21 12.304 -2.584 13.508 1.00 0.00 C ATOM 181 O ARG A 21 13.188 -2.972 14.274 1.00 0.00 O ATOM 182 CB ARG A 21 10.746 -0.491 13.665 1.00 0.00 C ATOM 183 CG ARG A 21 9.614 -0.682 12.629 1.00 0.00 C ATOM 184 CD ARG A 21 8.305 0.019 13.028 1.00 0.00 C ATOM 185 NE ARG A 21 7.312 -0.013 11.937 1.00 0.00 N ATOM 186 CZ ARG A 21 6.015 0.298 12.063 1.00 0.00 C ATOM 187 NH1 ARG A 21 5.500 0.622 13.236 1.00 0.00 N ATOM 188 NH2 ARG A 21 5.236 0.279 10.993 1.00 0.00 N ATOM 0 H ARG A 21 11.608 -0.526 11.304 1.00 0.00 H new ATOM 0 HA ARG A 21 12.859 -0.538 13.889 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.442 -0.963 14.599 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.854 0.575 13.866 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.945 -0.298 11.664 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.424 -1.748 12.500 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.889 -0.464 13.912 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.515 1.054 13.299 1.00 0.00 H new ATOM 0 HE ARG A 21 7.639 -0.294 11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.092 0.638 14.066 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.510 0.856 13.311 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.625 0.029 10.084 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.247 0.514 11.078 1.00 0.00 H new ATOM 202 N ALA A 22 11.475 -3.431 12.851 1.00 0.00 N ATOM 203 CA ALA A 22 11.717 -4.890 12.748 1.00 0.00 C ATOM 204 C ALA A 22 10.778 -5.528 11.712 1.00 0.00 C ATOM 205 O ALA A 22 9.557 -5.343 11.783 1.00 0.00 O ATOM 206 CB ALA A 22 11.513 -5.572 14.112 1.00 0.00 C ATOM 0 H ALA A 22 10.624 -3.124 12.380 1.00 0.00 H new ATOM 0 HA ALA A 22 12.749 -5.033 12.427 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.695 -6.642 14.015 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.208 -5.150 14.837 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.490 -5.408 14.452 1.00 0.00 H new ATOM 212 N PHE A 23 11.352 -6.266 10.750 1.00 0.00 N ATOM 213 CA PHE A 23 10.591 -7.135 9.838 1.00 0.00 C ATOM 214 C PHE A 23 10.673 -8.568 10.365 1.00 0.00 C ATOM 215 O PHE A 23 11.700 -8.962 10.917 1.00 0.00 O ATOM 216 CB PHE A 23 11.144 -7.068 8.389 1.00 0.00 C ATOM 217 CG PHE A 23 10.901 -5.733 7.675 1.00 0.00 C ATOM 218 CD1 PHE A 23 9.740 -5.516 6.932 1.00 0.00 C ATOM 219 CD2 PHE A 23 11.834 -4.701 7.732 1.00 0.00 C ATOM 220 CE1 PHE A 23 9.526 -4.320 6.270 1.00 0.00 C ATOM 221 CE2 PHE A 23 11.617 -3.502 7.068 1.00 0.00 C ATOM 222 CZ PHE A 23 10.463 -3.315 6.340 1.00 0.00 C ATOM 0 H PHE A 23 12.358 -6.278 10.582 1.00 0.00 H new ATOM 0 HA PHE A 23 9.556 -6.796 9.803 1.00 0.00 H new ATOM 0 HB2 PHE A 23 12.216 -7.262 8.414 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.689 -7.867 7.803 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.995 -6.296 6.873 1.00 0.00 H new ATOM 0 HD2 PHE A 23 12.741 -4.836 8.302 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.622 -4.175 5.697 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.354 -2.714 7.122 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.294 -2.381 5.825 1.00 0.00 H new ATOM 232 N LYS A 24 9.594 -9.343 10.207 1.00 0.00 N ATOM 233 CA LYS A 24 9.562 -10.749 10.658 1.00 0.00 C ATOM 234 C LYS A 24 10.432 -11.654 9.767 1.00 0.00 C ATOM 235 O LYS A 24 10.813 -12.753 10.184 1.00 0.00 O ATOM 236 CB LYS A 24 8.105 -11.274 10.702 1.00 0.00 C ATOM 237 CG LYS A 24 7.393 -11.354 9.329 1.00 0.00 C ATOM 238 CD LYS A 24 5.974 -11.952 9.435 1.00 0.00 C ATOM 239 CE LYS A 24 5.288 -12.090 8.065 1.00 0.00 C ATOM 240 NZ LYS A 24 5.141 -10.780 7.367 1.00 0.00 N ATOM 0 H LYS A 24 8.729 -9.025 9.771 1.00 0.00 H new ATOM 0 HA LYS A 24 9.978 -10.779 11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.107 -12.267 11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.522 -10.628 11.359 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.332 -10.356 8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.990 -11.961 8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.031 -12.932 9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.364 -11.320 10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.867 -12.769 7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.304 -12.540 8.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.643 -10.921 6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.595 -10.127 7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.082 -10.377 7.184 1.00 0.00 H new ATOM 254 N SER A 25 10.750 -11.188 8.541 1.00 0.00 N ATOM 255 CA SER A 25 11.491 -11.969 7.542 1.00 0.00 C ATOM 256 C SER A 25 12.436 -11.048 6.746 1.00 0.00 C ATOM 257 O SER A 25 12.120 -9.873 6.497 1.00 0.00 O ATOM 258 CB SER A 25 10.499 -12.670 6.580 1.00 0.00 C ATOM 259 OG SER A 25 11.171 -13.383 5.551 1.00 0.00 O ATOM 0 H SER A 25 10.496 -10.254 8.220 1.00 0.00 H new ATOM 0 HA SER A 25 12.085 -12.726 8.053 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.869 -13.357 7.146 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.839 -11.926 6.134 1.00 0.00 H new ATOM 0 HG SER A 25 10.527 -13.939 5.064 1.00 0.00 H new ATOM 265 N SER A 26 13.612 -11.596 6.394 1.00 0.00 N ATOM 266 CA SER A 26 14.554 -10.979 5.438 1.00 0.00 C ATOM 267 C SER A 26 13.884 -10.746 4.071 1.00 0.00 C ATOM 268 O SER A 26 14.190 -9.770 3.375 1.00 0.00 O ATOM 269 CB SER A 26 15.797 -11.878 5.289 1.00 0.00 C ATOM 270 OG SER A 26 15.413 -13.218 5.028 1.00 0.00 O ATOM 0 H SER A 26 13.940 -12.487 6.767 1.00 0.00 H new ATOM 0 HA SER A 26 14.859 -10.006 5.824 1.00 0.00 H new ATOM 0 HB2 SER A 26 16.425 -11.509 4.478 1.00 0.00 H new ATOM 0 HB3 SER A 26 16.395 -11.836 6.199 1.00 0.00 H new ATOM 0 HG SER A 26 16.214 -13.775 4.934 1.00 0.00 H new ATOM 276 N HIS A 27 12.960 -11.650 3.714 1.00 0.00 N ATOM 277 CA HIS A 27 12.190 -11.575 2.462 1.00 0.00 C ATOM 278 C HIS A 27 11.231 -10.375 2.506 1.00 0.00 C ATOM 279 O HIS A 27 11.039 -9.691 1.501 1.00 0.00 O ATOM 280 CB HIS A 27 11.396 -12.881 2.234 1.00 0.00 C ATOM 281 CG HIS A 27 12.246 -14.126 2.121 1.00 0.00 C ATOM 282 ND1 HIS A 27 12.319 -14.883 0.974 1.00 0.00 N ATOM 283 CD2 HIS A 27 13.031 -14.758 3.033 1.00 0.00 C ATOM 284 CE1 HIS A 27 13.106 -15.921 1.180 1.00 0.00 C ATOM 285 NE2 HIS A 27 13.550 -15.870 2.418 1.00 0.00 N ATOM 0 H HIS A 27 12.724 -12.459 4.289 1.00 0.00 H new ATOM 0 HA HIS A 27 12.886 -11.445 1.633 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.693 -13.011 3.057 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.806 -12.777 1.324 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.212 -14.444 4.050 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.346 -16.685 0.455 1.00 0.00 H new ATOM 0 HE2 HIS A 27 14.178 -16.547 2.850 1.00 0.00 H new ATOM 294 N ASN A 28 10.648 -10.137 3.701 1.00 0.00 N ATOM 295 CA ASN A 28 9.689 -9.032 3.955 1.00 0.00 C ATOM 296 C ASN A 28 10.372 -7.668 3.733 1.00 0.00 C ATOM 297 O ASN A 28 9.826 -6.783 3.058 1.00 0.00 O ATOM 298 CB ASN A 28 9.155 -9.121 5.418 1.00 0.00 C ATOM 299 CG ASN A 28 7.833 -8.371 5.706 1.00 0.00 C ATOM 300 OD1 ASN A 28 7.047 -8.814 6.544 1.00 0.00 O ATOM 301 ND2 ASN A 28 7.565 -7.239 5.055 1.00 0.00 N ATOM 0 H ASN A 28 10.829 -10.710 4.525 1.00 0.00 H new ATOM 0 HA ASN A 28 8.855 -9.125 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.015 -10.172 5.669 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.923 -8.733 6.088 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.702 -6.731 5.249 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.223 -6.881 4.363 1.00 0.00 H new ATOM 308 N LEU A 29 11.558 -7.510 4.353 1.00 0.00 N ATOM 309 CA LEU A 29 12.375 -6.286 4.229 1.00 0.00 C ATOM 310 C LEU A 29 12.767 -6.056 2.773 1.00 0.00 C ATOM 311 O LEU A 29 12.806 -4.919 2.325 1.00 0.00 O ATOM 312 CB LEU A 29 13.604 -6.352 5.208 1.00 0.00 C ATOM 313 CG LEU A 29 14.986 -6.938 4.719 1.00 0.00 C ATOM 314 CD1 LEU A 29 15.827 -5.931 3.889 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.818 -7.454 5.915 1.00 0.00 C ATOM 0 H LEU A 29 11.975 -8.223 4.951 1.00 0.00 H new ATOM 0 HA LEU A 29 11.789 -5.417 4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.791 -5.337 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.295 -6.937 6.074 1.00 0.00 H new ATOM 0 HG LEU A 29 14.739 -7.767 4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.763 -6.401 3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.267 -5.633 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 29 16.042 -5.051 4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.766 -7.853 5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.010 -6.633 6.606 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.266 -8.240 6.430 1.00 0.00 H new ATOM 327 N ALA A 30 13.034 -7.163 2.063 1.00 0.00 N ATOM 328 CA ALA A 30 13.416 -7.152 0.634 1.00 0.00 C ATOM 329 C ALA A 30 12.289 -6.595 -0.271 1.00 0.00 C ATOM 330 O ALA A 30 12.574 -5.996 -1.319 1.00 0.00 O ATOM 331 CB ALA A 30 13.827 -8.558 0.175 1.00 0.00 C ATOM 0 H ALA A 30 12.992 -8.100 2.463 1.00 0.00 H new ATOM 0 HA ALA A 30 14.270 -6.482 0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 30 14.105 -8.530 -0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.677 -8.899 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.991 -9.244 0.312 1.00 0.00 H new ATOM 337 N VAL A 31 11.016 -6.805 0.144 1.00 0.00 N ATOM 338 CA VAL A 31 9.831 -6.285 -0.580 1.00 0.00 C ATOM 339 C VAL A 31 9.797 -4.739 -0.521 1.00 0.00 C ATOM 340 O VAL A 31 9.574 -4.068 -1.541 1.00 0.00 O ATOM 341 CB VAL A 31 8.481 -6.875 -0.007 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.246 -6.384 -0.809 1.00 0.00 C ATOM 343 CG2 VAL A 31 8.516 -8.424 0.042 1.00 0.00 C ATOM 0 H VAL A 31 10.783 -7.335 0.984 1.00 0.00 H new ATOM 0 HA VAL A 31 9.921 -6.606 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 31 8.384 -6.502 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.340 -6.814 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.190 -5.297 -0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.340 -6.697 -1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.573 -8.797 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.665 -8.817 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.335 -8.749 0.684 1.00 0.00 H new ATOM 353 N HIS A 32 10.042 -4.186 0.686 1.00 0.00 N ATOM 354 CA HIS A 32 10.101 -2.733 0.918 1.00 0.00 C ATOM 355 C HIS A 32 11.392 -2.152 0.294 1.00 0.00 C ATOM 356 O HIS A 32 11.413 -1.007 -0.183 1.00 0.00 O ATOM 357 CB HIS A 32 9.993 -2.435 2.465 1.00 0.00 C ATOM 358 CG HIS A 32 10.985 -1.408 2.970 1.00 0.00 C ATOM 359 ND1 HIS A 32 10.751 -0.051 2.997 1.00 0.00 N ATOM 360 CD2 HIS A 32 12.270 -1.577 3.347 1.00 0.00 C ATOM 361 CE1 HIS A 32 11.882 0.552 3.361 1.00 0.00 C ATOM 362 NE2 HIS A 32 12.839 -0.324 3.589 1.00 0.00 N ATOM 0 H HIS A 32 10.204 -4.739 1.527 1.00 0.00 H new ATOM 0 HA HIS A 32 9.258 -2.242 0.432 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.984 -2.089 2.687 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.139 -3.365 3.014 1.00 0.00 H new ATOM 0 HD1 HIS A 32 9.868 0.411 2.777 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.776 -2.526 3.446 1.00 0.00 H new ATOM 0 HE1 HIS A 32 11.999 1.621 3.457 1.00 0.00 H new ATOM 370 N ARG A 33 12.462 -2.973 0.327 1.00 0.00 N ATOM 371 CA ARG A 33 13.811 -2.606 -0.129 1.00 0.00 C ATOM 372 C ARG A 33 13.850 -2.285 -1.639 1.00 0.00 C ATOM 373 O ARG A 33 14.867 -1.857 -2.123 1.00 0.00 O ATOM 374 CB ARG A 33 14.808 -3.748 0.243 1.00 0.00 C ATOM 375 CG ARG A 33 16.296 -3.349 0.283 1.00 0.00 C ATOM 376 CD ARG A 33 17.233 -4.524 0.599 1.00 0.00 C ATOM 377 NE ARG A 33 18.652 -4.109 0.593 1.00 0.00 N ATOM 378 CZ ARG A 33 19.701 -4.945 0.550 1.00 0.00 C ATOM 379 NH1 ARG A 33 19.520 -6.259 0.542 1.00 0.00 N ATOM 380 NH2 ARG A 33 20.937 -4.456 0.527 1.00 0.00 N ATOM 0 H ARG A 33 12.407 -3.929 0.679 1.00 0.00 H new ATOM 0 HA ARG A 33 14.111 -1.690 0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.530 -4.144 1.220 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.687 -4.559 -0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.576 -2.919 -0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.436 -2.570 1.033 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.980 -4.939 1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.083 -5.317 -0.134 1.00 0.00 H new ATOM 0 HE ARG A 33 18.849 -3.109 0.624 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.576 -6.644 0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 33 20.325 -6.885 0.509 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.087 -3.447 0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.736 -5.090 0.494 1.00 0.00 H new ATOM 394 N MET A 34 12.698 -2.428 -2.340 1.00 0.00 N ATOM 395 CA MET A 34 12.479 -2.045 -3.773 1.00 0.00 C ATOM 396 C MET A 34 13.026 -0.628 -4.161 1.00 0.00 C ATOM 397 O MET A 34 13.052 -0.273 -5.340 1.00 0.00 O ATOM 398 CB MET A 34 10.962 -2.146 -4.080 1.00 0.00 C ATOM 399 CG MET A 34 10.072 -1.146 -3.310 1.00 0.00 C ATOM 400 SD MET A 34 8.317 -1.575 -3.373 1.00 0.00 S ATOM 401 CE MET A 34 8.048 -1.732 -5.134 1.00 0.00 C ATOM 0 H MET A 34 11.861 -2.827 -1.915 1.00 0.00 H new ATOM 0 HA MET A 34 13.056 -2.741 -4.382 1.00 0.00 H new ATOM 0 HB2 MET A 34 10.812 -1.994 -5.149 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.627 -3.158 -3.852 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.394 -1.107 -2.269 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.212 -0.148 -3.725 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.021 -2.046 -5.319 1.00 0.00 H new ATOM 0 HE2 MET A 34 8.226 -0.771 -5.616 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.733 -2.475 -5.542 1.00 0.00 H new ATOM 411 N ILE A 35 13.398 0.165 -3.150 1.00 0.00 N ATOM 412 CA ILE A 35 14.142 1.411 -3.296 1.00 0.00 C ATOM 413 C ILE A 35 15.689 1.099 -3.393 1.00 0.00 C ATOM 414 O ILE A 35 16.312 1.379 -4.418 1.00 0.00 O ATOM 415 CB ILE A 35 13.762 2.411 -2.113 1.00 0.00 C ATOM 416 CG1 ILE A 35 14.793 3.566 -1.951 1.00 0.00 C ATOM 417 CG2 ILE A 35 13.536 1.675 -0.774 1.00 0.00 C ATOM 418 CD1 ILE A 35 14.879 4.533 -3.122 1.00 0.00 C ATOM 0 H ILE A 35 13.180 -0.054 -2.178 1.00 0.00 H new ATOM 0 HA ILE A 35 13.869 1.915 -4.223 1.00 0.00 H new ATOM 0 HB ILE A 35 12.814 2.865 -2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 35 14.542 4.131 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 35 15.779 3.130 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.280 2.398 0.000 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.722 0.959 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.447 1.148 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.625 5.298 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.164 3.989 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.909 5.006 -3.276 1.00 0.00 H new ATOM 430 N HIS A 36 16.277 0.481 -2.344 1.00 0.00 N ATOM 431 CA HIS A 36 17.770 0.259 -2.212 1.00 0.00 C ATOM 432 C HIS A 36 18.229 -1.197 -2.517 1.00 0.00 C ATOM 433 O HIS A 36 19.383 -1.544 -2.251 1.00 0.00 O ATOM 434 CB HIS A 36 18.299 0.736 -0.802 1.00 0.00 C ATOM 435 CG HIS A 36 17.250 0.985 0.259 1.00 0.00 C ATOM 436 ND1 HIS A 36 16.917 2.238 0.712 1.00 0.00 N ATOM 437 CD2 HIS A 36 16.472 0.120 0.966 1.00 0.00 C ATOM 438 CE1 HIS A 36 15.995 2.102 1.659 1.00 0.00 C ATOM 439 NE2 HIS A 36 15.677 0.835 1.855 1.00 0.00 N ATOM 0 H HIS A 36 15.746 0.115 -1.554 1.00 0.00 H new ATOM 0 HA HIS A 36 18.222 0.878 -2.987 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.994 -0.014 -0.426 1.00 0.00 H new ATOM 0 HB3 HIS A 36 18.868 1.655 -0.943 1.00 0.00 H new ATOM 0 HD1 HIS A 36 17.309 3.119 0.380 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.472 -0.954 0.854 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.559 2.927 2.202 1.00 0.00 H new ATOM 447 N THR A 37 17.328 -2.030 -3.048 1.00 0.00 N ATOM 448 CA THR A 37 17.517 -3.505 -3.145 1.00 0.00 C ATOM 449 C THR A 37 18.722 -3.943 -4.013 1.00 0.00 C ATOM 450 O THR A 37 19.612 -4.668 -3.531 1.00 0.00 O ATOM 451 CB THR A 37 16.193 -4.206 -3.637 1.00 0.00 C ATOM 452 OG1 THR A 37 16.385 -5.615 -3.825 1.00 0.00 O ATOM 453 CG2 THR A 37 15.629 -3.575 -4.920 1.00 0.00 C ATOM 0 H THR A 37 16.437 -1.711 -3.429 1.00 0.00 H new ATOM 0 HA THR A 37 17.753 -3.834 -2.133 1.00 0.00 H new ATOM 0 HB THR A 37 15.459 -4.052 -2.846 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.542 -6.086 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.718 -4.097 -5.212 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.403 -2.524 -4.740 1.00 0.00 H new ATOM 0 HG23 THR A 37 16.366 -3.655 -5.719 1.00 0.00 H new ATOM 461 N GLY A 38 18.745 -3.505 -5.278 1.00 0.00 N ATOM 462 CA GLY A 38 19.650 -4.039 -6.299 1.00 0.00 C ATOM 463 C GLY A 38 19.079 -5.277 -6.994 1.00 0.00 C ATOM 464 O GLY A 38 19.325 -5.483 -8.186 1.00 0.00 O ATOM 0 H GLY A 38 18.132 -2.766 -5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.850 -3.268 -7.043 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.605 -4.292 -5.838 1.00 0.00 H new ATOM 468 N GLU A 39 18.293 -6.097 -6.251 1.00 0.00 N ATOM 469 CA GLU A 39 17.602 -7.286 -6.795 1.00 0.00 C ATOM 470 C GLU A 39 16.450 -6.893 -7.724 1.00 0.00 C ATOM 471 O GLU A 39 16.295 -7.478 -8.805 1.00 0.00 O ATOM 472 CB GLU A 39 17.067 -8.169 -5.635 1.00 0.00 C ATOM 473 CG GLU A 39 18.160 -8.809 -4.759 1.00 0.00 C ATOM 474 CD GLU A 39 19.015 -9.834 -5.526 1.00 0.00 C ATOM 475 OE1 GLU A 39 18.575 -11.002 -5.663 1.00 0.00 O ATOM 476 OE2 GLU A 39 20.110 -9.478 -6.012 1.00 0.00 O ATOM 0 H GLU A 39 18.123 -5.949 -5.256 1.00 0.00 H new ATOM 0 HA GLU A 39 18.327 -7.852 -7.380 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.422 -7.561 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.447 -8.961 -6.055 1.00 0.00 H new ATOM 0 HG2 GLU A 39 18.807 -8.026 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 39 17.694 -9.299 -3.904 1.00 0.00 H new ATOM 483 N LYS A 40 15.634 -5.930 -7.255 1.00 0.00 N ATOM 484 CA LYS A 40 14.498 -5.342 -7.992 1.00 0.00 C ATOM 485 C LYS A 40 13.341 -6.357 -8.124 1.00 0.00 C ATOM 486 O LYS A 40 13.356 -7.201 -9.037 1.00 0.00 O ATOM 487 CB LYS A 40 14.936 -4.771 -9.375 1.00 0.00 C ATOM 488 CG LYS A 40 15.987 -3.633 -9.295 1.00 0.00 C ATOM 489 CD LYS A 40 16.659 -3.340 -10.657 1.00 0.00 C ATOM 490 CE LYS A 40 17.504 -4.522 -11.150 1.00 0.00 C ATOM 491 NZ LYS A 40 18.201 -4.217 -12.418 1.00 0.00 N ATOM 0 H LYS A 40 15.750 -5.527 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 40 14.128 -4.497 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.343 -5.583 -9.977 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.054 -4.399 -9.896 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.506 -2.726 -8.930 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.753 -3.903 -8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.892 -3.110 -11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.291 -2.456 -10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.237 -4.785 -10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.863 -5.392 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.760 -5.043 -12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.501 -3.991 -13.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 18.833 -3.403 -12.280 1.00 0.00 H new ATOM 505 N PRO A 41 12.322 -6.319 -7.191 1.00 0.00 N ATOM 506 CA PRO A 41 11.110 -7.159 -7.303 1.00 0.00 C ATOM 507 C PRO A 41 10.200 -6.672 -8.457 1.00 0.00 C ATOM 508 O PRO A 41 10.534 -5.721 -9.175 1.00 0.00 O ATOM 509 CB PRO A 41 10.439 -7.017 -5.909 1.00 0.00 C ATOM 510 CG PRO A 41 10.868 -5.664 -5.428 1.00 0.00 C ATOM 511 CD PRO A 41 12.272 -5.451 -5.971 1.00 0.00 C ATOM 0 HA PRO A 41 11.324 -8.200 -7.546 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.354 -7.088 -5.981 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.766 -7.803 -5.228 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.190 -4.890 -5.786 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.860 -5.616 -4.339 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.450 -4.404 -6.218 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.030 -5.741 -5.243 1.00 0.00 H new ATOM 519 N LEU A 42 9.050 -7.318 -8.623 1.00 0.00 N ATOM 520 CA LEU A 42 8.173 -7.115 -9.782 1.00 0.00 C ATOM 521 C LEU A 42 6.893 -6.396 -9.337 1.00 0.00 C ATOM 522 O LEU A 42 6.061 -6.979 -8.640 1.00 0.00 O ATOM 523 CB LEU A 42 7.875 -8.503 -10.404 1.00 0.00 C ATOM 524 CG LEU A 42 9.143 -9.337 -10.798 1.00 0.00 C ATOM 525 CD1 LEU A 42 8.782 -10.783 -11.162 1.00 0.00 C ATOM 526 CD2 LEU A 42 9.934 -8.658 -11.942 1.00 0.00 C ATOM 0 H LEU A 42 8.694 -8.002 -7.956 1.00 0.00 H new ATOM 0 HA LEU A 42 8.649 -6.488 -10.535 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.283 -9.083 -9.696 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.260 -8.362 -11.293 1.00 0.00 H new ATOM 0 HG LEU A 42 9.788 -9.371 -9.920 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.687 -11.328 -11.429 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.307 -11.265 -10.308 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.095 -10.784 -12.008 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.806 -9.263 -12.190 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.295 -8.565 -12.820 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.258 -7.668 -11.622 1.00 0.00 H new ATOM 538 N GLN A 43 6.750 -5.123 -9.732 1.00 0.00 N ATOM 539 CA GLN A 43 5.598 -4.284 -9.373 1.00 0.00 C ATOM 540 C GLN A 43 4.786 -3.970 -10.639 1.00 0.00 C ATOM 541 O GLN A 43 5.351 -3.847 -11.727 1.00 0.00 O ATOM 542 CB GLN A 43 6.056 -2.959 -8.695 1.00 0.00 C ATOM 543 CG GLN A 43 4.898 -2.029 -8.258 1.00 0.00 C ATOM 544 CD GLN A 43 5.347 -0.656 -7.763 1.00 0.00 C ATOM 545 OE1 GLN A 43 5.585 -0.458 -6.584 1.00 0.00 O ATOM 546 NE2 GLN A 43 5.467 0.302 -8.667 1.00 0.00 N ATOM 0 H GLN A 43 7.436 -4.643 -10.314 1.00 0.00 H new ATOM 0 HA GLN A 43 4.979 -4.829 -8.660 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.659 -3.203 -7.821 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.701 -2.416 -9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.218 -1.894 -9.100 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.332 -2.520 -7.467 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.261 0.107 -9.647 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.766 1.235 -8.384 1.00 0.00 H new ATOM 555 N CYS A 44 3.459 -3.863 -10.482 1.00 0.00 N ATOM 556 CA CYS A 44 2.548 -3.399 -11.540 1.00 0.00 C ATOM 557 C CYS A 44 2.852 -1.937 -11.897 1.00 0.00 C ATOM 558 O CYS A 44 2.572 -1.028 -11.110 1.00 0.00 O ATOM 559 CB CYS A 44 1.091 -3.543 -11.069 1.00 0.00 C ATOM 560 SG CYS A 44 -0.170 -2.617 -12.021 1.00 0.00 S ATOM 0 H CYS A 44 2.983 -4.098 -9.611 1.00 0.00 H new ATOM 0 HA CYS A 44 2.694 -4.010 -12.431 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.828 -4.600 -11.092 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.036 -3.224 -10.028 1.00 0.00 H new ATOM 565 N GLU A 45 3.433 -1.743 -13.090 1.00 0.00 N ATOM 566 CA GLU A 45 3.788 -0.415 -13.646 1.00 0.00 C ATOM 567 C GLU A 45 2.565 0.481 -14.000 1.00 0.00 C ATOM 568 O GLU A 45 2.740 1.584 -14.527 1.00 0.00 O ATOM 569 CB GLU A 45 4.676 -0.623 -14.906 1.00 0.00 C ATOM 570 CG GLU A 45 3.989 -1.389 -16.066 1.00 0.00 C ATOM 571 CD GLU A 45 4.854 -1.467 -17.340 1.00 0.00 C ATOM 572 OE1 GLU A 45 5.043 -0.418 -17.994 1.00 0.00 O ATOM 573 OE2 GLU A 45 5.365 -2.555 -17.680 1.00 0.00 O ATOM 0 H GLU A 45 3.677 -2.514 -13.712 1.00 0.00 H new ATOM 0 HA GLU A 45 4.325 0.121 -12.863 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.996 0.352 -15.273 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.576 -1.165 -14.614 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.751 -2.400 -15.734 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.044 -0.901 -16.306 1.00 0.00 H new ATOM 580 N ILE A 46 1.340 0.021 -13.684 1.00 0.00 N ATOM 581 CA ILE A 46 0.100 0.727 -14.003 1.00 0.00 C ATOM 582 C ILE A 46 -0.307 1.552 -12.782 1.00 0.00 C ATOM 583 O ILE A 46 -0.500 2.769 -12.857 1.00 0.00 O ATOM 584 CB ILE A 46 -1.038 -0.299 -14.376 1.00 0.00 C ATOM 585 CG1 ILE A 46 -0.694 -1.081 -15.692 1.00 0.00 C ATOM 586 CG2 ILE A 46 -2.417 0.391 -14.449 1.00 0.00 C ATOM 587 CD1 ILE A 46 -0.441 -0.202 -16.909 1.00 0.00 C ATOM 0 H ILE A 46 1.189 -0.861 -13.195 1.00 0.00 H new ATOM 0 HA ILE A 46 0.254 1.380 -14.862 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.097 -1.037 -13.576 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.190 -1.693 -15.514 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.514 -1.763 -15.918 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.179 -0.344 -14.708 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.654 0.833 -13.481 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.393 1.172 -15.209 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.211 -0.830 -17.770 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.330 0.392 -17.120 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.400 0.462 -16.710 1.00 0.00 H new ATOM 599 N CYS A 47 -0.417 0.856 -11.647 1.00 0.00 N ATOM 600 CA CYS A 47 -0.694 1.457 -10.365 1.00 0.00 C ATOM 601 C CYS A 47 0.511 1.068 -9.513 1.00 0.00 C ATOM 602 O CYS A 47 1.625 1.547 -9.769 1.00 0.00 O ATOM 603 CB CYS A 47 -2.086 0.964 -9.831 1.00 0.00 C ATOM 604 SG CYS A 47 -2.207 -0.793 -9.291 1.00 0.00 S ATOM 0 H CYS A 47 -0.312 -0.158 -11.606 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.799 2.542 -10.376 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.368 1.596 -8.989 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.826 1.128 -10.615 1.00 0.00 H new ATOM 609 N GLY A 48 0.318 0.211 -8.534 1.00 0.00 N ATOM 610 CA GLY A 48 1.364 -0.612 -7.968 1.00 0.00 C ATOM 611 C GLY A 48 0.761 -1.938 -7.529 1.00 0.00 C ATOM 612 O GLY A 48 -0.467 -2.014 -7.379 1.00 0.00 O ATOM 0 H GLY A 48 -0.593 0.064 -8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.151 -0.780 -8.703 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.824 -0.107 -7.119 1.00 0.00 H new ATOM 616 N PHE A 49 1.589 -2.962 -7.275 1.00 0.00 N ATOM 617 CA PHE A 49 1.171 -4.306 -6.857 1.00 0.00 C ATOM 618 C PHE A 49 2.466 -5.090 -6.935 1.00 0.00 C ATOM 619 O PHE A 49 2.936 -5.367 -8.040 1.00 0.00 O ATOM 620 CB PHE A 49 0.094 -4.933 -7.798 1.00 0.00 C ATOM 621 CG PHE A 49 -0.317 -6.374 -7.467 1.00 0.00 C ATOM 622 CD1 PHE A 49 0.353 -7.461 -8.036 1.00 0.00 C ATOM 623 CD2 PHE A 49 -1.375 -6.643 -6.609 1.00 0.00 C ATOM 624 CE1 PHE A 49 -0.013 -8.762 -7.746 1.00 0.00 C ATOM 625 CE2 PHE A 49 -1.745 -7.948 -6.319 1.00 0.00 C ATOM 626 CZ PHE A 49 -1.065 -9.006 -6.891 1.00 0.00 C ATOM 0 H PHE A 49 2.602 -2.873 -7.358 1.00 0.00 H new ATOM 0 HA PHE A 49 0.700 -4.302 -5.874 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.796 -4.305 -7.771 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.471 -4.907 -8.820 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.173 -7.281 -8.716 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.918 -5.824 -6.161 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.525 -9.587 -8.189 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.567 -8.138 -5.644 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.358 -10.022 -6.668 1.00 0.00 H new ATOM 636 N THR A 50 3.027 -5.491 -5.798 1.00 0.00 N ATOM 637 CA THR A 50 4.406 -5.943 -5.748 1.00 0.00 C ATOM 638 C THR A 50 4.445 -7.415 -5.329 1.00 0.00 C ATOM 639 O THR A 50 3.792 -7.836 -4.367 1.00 0.00 O ATOM 640 CB THR A 50 5.273 -5.076 -4.783 1.00 0.00 C ATOM 641 OG1 THR A 50 4.945 -3.677 -4.951 1.00 0.00 O ATOM 642 CG2 THR A 50 6.784 -5.271 -5.044 1.00 0.00 C ATOM 0 H THR A 50 2.544 -5.511 -4.900 1.00 0.00 H new ATOM 0 HA THR A 50 4.834 -5.833 -6.744 1.00 0.00 H new ATOM 0 HB THR A 50 5.053 -5.397 -3.765 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.368 -3.154 -4.239 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.356 -4.651 -4.353 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.047 -6.318 -4.895 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.017 -4.981 -6.069 1.00 0.00 H new ATOM 650 N CYS A 51 5.216 -8.158 -6.081 1.00 0.00 N ATOM 651 CA CYS A 51 5.333 -9.613 -5.978 1.00 0.00 C ATOM 652 C CYS A 51 6.721 -10.046 -6.465 1.00 0.00 C ATOM 653 O CYS A 51 7.450 -9.254 -7.072 1.00 0.00 O ATOM 654 CB CYS A 51 4.219 -10.258 -6.831 1.00 0.00 C ATOM 655 SG CYS A 51 4.133 -12.056 -6.744 1.00 0.00 S ATOM 0 H CYS A 51 5.807 -7.764 -6.813 1.00 0.00 H new ATOM 0 HA CYS A 51 5.219 -9.937 -4.943 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.259 -9.848 -6.517 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.365 -9.967 -7.871 1.00 0.00 H new ATOM 0 HG CYS A 51 2.969 -12.413 -6.289 1.00 0.00 H new ATOM 661 N ARG A 52 7.094 -11.296 -6.174 1.00 0.00 N ATOM 662 CA ARG A 52 8.358 -11.894 -6.656 1.00 0.00 C ATOM 663 C ARG A 52 8.092 -12.803 -7.873 1.00 0.00 C ATOM 664 O ARG A 52 9.027 -13.311 -8.496 1.00 0.00 O ATOM 665 CB ARG A 52 9.024 -12.707 -5.516 1.00 0.00 C ATOM 666 CG ARG A 52 8.236 -13.972 -5.093 1.00 0.00 C ATOM 667 CD ARG A 52 8.893 -14.733 -3.937 1.00 0.00 C ATOM 668 NE ARG A 52 8.172 -15.989 -3.632 1.00 0.00 N ATOM 669 CZ ARG A 52 7.777 -16.392 -2.419 1.00 0.00 C ATOM 670 NH1 ARG A 52 7.933 -15.606 -1.355 1.00 0.00 N ATOM 671 NH2 ARG A 52 7.207 -17.581 -2.278 1.00 0.00 N ATOM 0 H ARG A 52 6.535 -11.926 -5.599 1.00 0.00 H new ATOM 0 HA ARG A 52 9.032 -11.094 -6.963 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.023 -13.005 -5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.145 -12.061 -4.647 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.226 -13.683 -4.802 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.142 -14.638 -5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.928 -14.960 -4.192 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.914 -14.100 -3.050 1.00 0.00 H new ATOM 0 HE ARG A 52 7.957 -16.603 -4.418 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.358 -14.685 -1.459 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.627 -15.925 -0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.072 -18.182 -3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.903 -17.895 -1.356 1.00 0.00 H new ATOM 685 N GLN A 53 6.797 -13.006 -8.186 1.00 0.00 N ATOM 686 CA GLN A 53 6.332 -13.903 -9.251 1.00 0.00 C ATOM 687 C GLN A 53 5.683 -13.071 -10.366 1.00 0.00 C ATOM 688 O GLN A 53 4.629 -12.460 -10.141 1.00 0.00 O ATOM 689 CB GLN A 53 5.298 -14.904 -8.670 1.00 0.00 C ATOM 690 CG GLN A 53 4.793 -15.975 -9.659 1.00 0.00 C ATOM 691 CD GLN A 53 3.721 -16.901 -9.072 1.00 0.00 C ATOM 692 OE1 GLN A 53 2.872 -17.442 -9.928 1.00 0.00 O flip ATOM 693 NE2 GLN A 53 3.671 -17.144 -7.863 1.00 0.00 N flip ATOM 0 H GLN A 53 6.034 -12.540 -7.694 1.00 0.00 H new ATOM 0 HA GLN A 53 7.176 -14.458 -9.659 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.745 -15.406 -7.812 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.441 -14.342 -8.299 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.389 -15.480 -10.542 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.638 -16.578 -9.991 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.341 -16.711 -7.228 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.960 -17.778 -7.499 1.00 0.00 H new ATOM 702 N LYS A 54 6.334 -13.038 -11.548 1.00 0.00 N ATOM 703 CA LYS A 54 5.855 -12.280 -12.731 1.00 0.00 C ATOM 704 C LYS A 54 4.391 -12.604 -13.087 1.00 0.00 C ATOM 705 O LYS A 54 3.638 -11.706 -13.435 1.00 0.00 O ATOM 706 CB LYS A 54 6.795 -12.515 -13.951 1.00 0.00 C ATOM 707 CG LYS A 54 6.817 -13.962 -14.506 1.00 0.00 C ATOM 708 CD LYS A 54 7.820 -14.158 -15.671 1.00 0.00 C ATOM 709 CE LYS A 54 9.285 -13.932 -15.248 1.00 0.00 C ATOM 710 NZ LYS A 54 10.225 -14.124 -16.378 1.00 0.00 N ATOM 0 H LYS A 54 7.209 -13.536 -11.713 1.00 0.00 H new ATOM 0 HA LYS A 54 5.884 -11.223 -12.468 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.496 -11.841 -14.754 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.810 -12.239 -13.664 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.070 -14.649 -13.699 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.817 -14.227 -14.849 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.714 -15.167 -16.069 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.570 -13.469 -16.478 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.396 -12.923 -14.851 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.540 -14.621 -14.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.199 -13.963 -16.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.138 -15.095 -16.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.999 -13.449 -17.136 1.00 0.00 H new ATOM 724 N ALA A 55 4.014 -13.886 -12.940 1.00 0.00 N ATOM 725 CA ALA A 55 2.657 -14.382 -13.269 1.00 0.00 C ATOM 726 C ALA A 55 1.554 -13.671 -12.446 1.00 0.00 C ATOM 727 O ALA A 55 0.481 -13.358 -12.981 1.00 0.00 O ATOM 728 CB ALA A 55 2.579 -15.905 -13.086 1.00 0.00 C ATOM 0 H ALA A 55 4.639 -14.612 -12.590 1.00 0.00 H new ATOM 0 HA ALA A 55 2.473 -14.144 -14.317 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.575 -16.250 -13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.301 -16.388 -13.745 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.806 -16.159 -12.051 1.00 0.00 H new ATOM 734 N SER A 56 1.838 -13.407 -11.154 1.00 0.00 N ATOM 735 CA SER A 56 0.864 -12.809 -10.214 1.00 0.00 C ATOM 736 C SER A 56 0.377 -11.422 -10.710 1.00 0.00 C ATOM 737 O SER A 56 -0.831 -11.200 -10.864 1.00 0.00 O ATOM 738 CB SER A 56 1.503 -12.697 -8.808 1.00 0.00 C ATOM 739 OG SER A 56 0.569 -12.263 -7.825 1.00 0.00 O ATOM 0 H SER A 56 2.746 -13.601 -10.733 1.00 0.00 H new ATOM 0 HA SER A 56 -0.010 -13.458 -10.160 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.910 -13.666 -8.518 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.339 -11.999 -8.845 1.00 0.00 H new ATOM 0 HG SER A 56 1.014 -12.207 -6.953 1.00 0.00 H new ATOM 745 N LEU A 57 1.326 -10.507 -10.972 1.00 0.00 N ATOM 746 CA LEU A 57 1.023 -9.158 -11.483 1.00 0.00 C ATOM 747 C LEU A 57 0.675 -9.169 -12.986 1.00 0.00 C ATOM 748 O LEU A 57 -0.030 -8.278 -13.445 1.00 0.00 O ATOM 749 CB LEU A 57 2.176 -8.148 -11.211 1.00 0.00 C ATOM 750 CG LEU A 57 3.594 -8.519 -11.775 1.00 0.00 C ATOM 751 CD1 LEU A 57 4.378 -7.263 -12.227 1.00 0.00 C ATOM 752 CD2 LEU A 57 4.415 -9.323 -10.743 1.00 0.00 C ATOM 0 H LEU A 57 2.322 -10.680 -10.836 1.00 0.00 H new ATOM 0 HA LEU A 57 0.144 -8.824 -10.931 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.887 -7.183 -11.628 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.264 -8.016 -10.133 1.00 0.00 H new ATOM 0 HG LEU A 57 3.433 -9.147 -12.651 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.354 -7.562 -12.611 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.821 -6.749 -13.011 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.512 -6.593 -11.378 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.391 -9.565 -11.163 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.546 -8.728 -9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.888 -10.245 -10.497 1.00 0.00 H new ATOM 764 N ASN A 58 1.242 -10.131 -13.745 1.00 0.00 N ATOM 765 CA ASN A 58 0.981 -10.291 -15.206 1.00 0.00 C ATOM 766 C ASN A 58 -0.513 -10.398 -15.534 1.00 0.00 C ATOM 767 O ASN A 58 -0.956 -9.874 -16.554 1.00 0.00 O ATOM 768 CB ASN A 58 1.724 -11.524 -15.790 1.00 0.00 C ATOM 769 CG ASN A 58 1.674 -11.623 -17.329 1.00 0.00 C ATOM 770 OD1 ASN A 58 1.643 -10.611 -18.031 1.00 0.00 O ATOM 771 ND2 ASN A 58 1.662 -12.840 -17.861 1.00 0.00 N ATOM 0 H ASN A 58 1.893 -10.821 -13.371 1.00 0.00 H new ATOM 0 HA ASN A 58 1.366 -9.384 -15.672 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.766 -11.489 -15.473 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.291 -12.430 -15.365 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.626 -12.953 -18.874 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.688 -13.661 -17.256 1.00 0.00 H new ATOM 778 N TRP A 59 -1.287 -11.072 -14.675 1.00 0.00 N ATOM 779 CA TRP A 59 -2.747 -11.153 -14.833 1.00 0.00 C ATOM 780 C TRP A 59 -3.400 -9.868 -14.295 1.00 0.00 C ATOM 781 O TRP A 59 -4.263 -9.305 -14.948 1.00 0.00 O ATOM 782 CB TRP A 59 -3.323 -12.410 -14.133 1.00 0.00 C ATOM 783 CG TRP A 59 -2.963 -13.706 -14.834 1.00 0.00 C ATOM 784 CD1 TRP A 59 -1.921 -14.551 -14.548 1.00 0.00 C ATOM 785 CD2 TRP A 59 -3.646 -14.285 -15.965 1.00 0.00 C ATOM 786 NE1 TRP A 59 -1.939 -15.626 -15.400 1.00 0.00 N ATOM 787 CE2 TRP A 59 -2.983 -15.485 -16.280 1.00 0.00 C ATOM 788 CE3 TRP A 59 -4.767 -13.916 -16.725 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -3.388 -16.307 -17.332 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -5.167 -14.733 -17.769 1.00 0.00 C ATOM 791 CH2 TRP A 59 -4.481 -15.921 -18.061 1.00 0.00 C ATOM 0 H TRP A 59 -0.927 -11.571 -13.861 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.977 -11.246 -15.895 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.956 -12.446 -13.107 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -4.408 -12.323 -14.081 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.193 -14.393 -13.766 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.282 -16.406 -15.382 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -5.309 -13.009 -16.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.857 -17.218 -17.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.020 -14.451 -18.368 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.821 -16.543 -18.876 1.00 0.00 H new ATOM 802 N HIS A 60 -2.981 -9.445 -13.083 1.00 0.00 N ATOM 803 CA HIS A 60 -3.433 -8.169 -12.448 1.00 0.00 C ATOM 804 C HIS A 60 -3.433 -6.927 -13.402 1.00 0.00 C ATOM 805 O HIS A 60 -4.364 -6.114 -13.344 1.00 0.00 O ATOM 806 CB HIS A 60 -2.573 -7.910 -11.169 1.00 0.00 C ATOM 807 CG HIS A 60 -2.714 -6.548 -10.554 1.00 0.00 C ATOM 808 ND1 HIS A 60 -3.756 -6.128 -9.763 1.00 0.00 N ATOM 809 CD2 HIS A 60 -1.924 -5.488 -10.712 1.00 0.00 C ATOM 810 CE1 HIS A 60 -3.558 -4.829 -9.495 1.00 0.00 C ATOM 811 NE2 HIS A 60 -2.449 -4.378 -10.066 1.00 0.00 N ATOM 0 H HIS A 60 -2.321 -9.971 -12.511 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.482 -8.299 -12.183 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.837 -8.656 -10.419 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.524 -8.068 -11.421 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -4.537 -6.699 -9.439 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.998 -5.492 -11.269 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.219 -4.226 -8.890 1.00 0.00 H new ATOM 819 N MET A 61 -2.388 -6.756 -14.236 1.00 0.00 N ATOM 820 CA MET A 61 -2.347 -5.670 -15.257 1.00 0.00 C ATOM 821 C MET A 61 -3.404 -5.871 -16.378 1.00 0.00 C ATOM 822 O MET A 61 -4.003 -4.902 -16.859 1.00 0.00 O ATOM 823 CB MET A 61 -0.917 -5.497 -15.837 1.00 0.00 C ATOM 824 CG MET A 61 -0.316 -6.737 -16.505 1.00 0.00 C ATOM 825 SD MET A 61 1.340 -6.436 -17.174 1.00 0.00 S ATOM 826 CE MET A 61 1.002 -5.212 -18.445 1.00 0.00 C ATOM 0 H MET A 61 -1.559 -7.350 -14.229 1.00 0.00 H new ATOM 0 HA MET A 61 -2.612 -4.743 -14.748 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.936 -4.687 -16.567 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.253 -5.184 -15.031 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.268 -7.549 -15.779 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.974 -7.067 -17.309 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.840 -5.168 -19.140 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.097 -5.489 -18.985 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.864 -4.235 -17.982 1.00 0.00 H new ATOM 836 N LYS A 62 -3.601 -7.132 -16.793 1.00 0.00 N ATOM 837 CA LYS A 62 -4.687 -7.523 -17.733 1.00 0.00 C ATOM 838 C LYS A 62 -6.087 -7.259 -17.118 1.00 0.00 C ATOM 839 O LYS A 62 -7.055 -6.985 -17.835 1.00 0.00 O ATOM 840 CB LYS A 62 -4.550 -9.020 -18.126 1.00 0.00 C ATOM 841 CG LYS A 62 -3.186 -9.400 -18.749 1.00 0.00 C ATOM 842 CD LYS A 62 -3.057 -10.915 -19.049 1.00 0.00 C ATOM 843 CE LYS A 62 -4.071 -11.399 -20.097 1.00 0.00 C ATOM 844 NZ LYS A 62 -3.909 -10.688 -21.392 1.00 0.00 N ATOM 0 H LYS A 62 -3.019 -7.914 -16.493 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.589 -6.910 -18.629 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.712 -9.631 -17.238 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.340 -9.270 -18.834 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.046 -8.839 -19.673 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.387 -9.100 -18.071 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.047 -11.127 -19.401 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.198 -11.478 -18.126 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.949 -12.471 -20.253 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.083 -11.245 -19.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.489 -11.154 -22.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.214 -9.699 -21.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.910 -10.713 -21.679 1.00 0.00 H new ATOM 858 N LYS A 63 -6.170 -7.361 -15.784 1.00 0.00 N ATOM 859 CA LYS A 63 -7.408 -7.083 -15.025 1.00 0.00 C ATOM 860 C LYS A 63 -7.789 -5.597 -15.106 1.00 0.00 C ATOM 861 O LYS A 63 -8.978 -5.263 -15.026 1.00 0.00 O ATOM 862 CB LYS A 63 -7.295 -7.569 -13.561 1.00 0.00 C ATOM 863 CG LYS A 63 -7.058 -9.089 -13.437 1.00 0.00 C ATOM 864 CD LYS A 63 -6.905 -9.562 -11.980 1.00 0.00 C ATOM 865 CE LYS A 63 -6.518 -11.053 -11.879 1.00 0.00 C ATOM 866 NZ LYS A 63 -6.463 -11.524 -10.473 1.00 0.00 N ATOM 0 H LYS A 63 -5.384 -7.638 -15.196 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.215 -7.650 -15.489 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.477 -7.040 -13.072 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.208 -7.306 -13.027 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.891 -9.619 -13.899 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.161 -9.357 -13.995 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.145 -8.958 -11.484 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.842 -9.396 -11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.240 -11.652 -12.433 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.547 -11.207 -12.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.200 -12.530 -10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.755 -10.971 -9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.396 -11.402 -10.029 1.00 0.00 H new ATOM 880 N HIS A 64 -6.770 -4.715 -15.271 1.00 0.00 N ATOM 881 CA HIS A 64 -6.975 -3.258 -15.479 1.00 0.00 C ATOM 882 C HIS A 64 -7.672 -2.980 -16.829 1.00 0.00 C ATOM 883 O HIS A 64 -8.304 -1.927 -16.985 1.00 0.00 O ATOM 884 CB HIS A 64 -5.631 -2.460 -15.434 1.00 0.00 C ATOM 885 CG HIS A 64 -5.054 -2.218 -14.071 1.00 0.00 C ATOM 886 ND1 HIS A 64 -5.492 -1.222 -13.236 1.00 0.00 N ATOM 887 CD2 HIS A 64 -3.993 -2.787 -13.446 1.00 0.00 C ATOM 888 CE1 HIS A 64 -4.702 -1.205 -12.163 1.00 0.00 C ATOM 889 NE2 HIS A 64 -3.771 -2.134 -12.251 1.00 0.00 N ATOM 0 H HIS A 64 -5.788 -4.992 -15.264 1.00 0.00 H new ATOM 0 HA HIS A 64 -7.610 -2.921 -14.659 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.893 -2.997 -16.029 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -5.788 -1.495 -15.917 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.284 -0.602 -13.407 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.415 -3.618 -13.823 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.810 -0.522 -11.333 1.00 0.00 H new ATOM 897 N ASP A 65 -7.575 -3.926 -17.795 1.00 0.00 N ATOM 898 CA ASP A 65 -8.095 -3.730 -19.171 1.00 0.00 C ATOM 899 C ASP A 65 -9.626 -3.620 -19.144 1.00 0.00 C ATOM 900 O ASP A 65 -10.198 -2.647 -19.646 1.00 0.00 O ATOM 901 CB ASP A 65 -7.649 -4.887 -20.101 1.00 0.00 C ATOM 902 CG ASP A 65 -8.122 -4.723 -21.560 1.00 0.00 C ATOM 903 OD1 ASP A 65 -7.416 -4.057 -22.355 1.00 0.00 O ATOM 904 OD2 ASP A 65 -9.191 -5.274 -21.929 1.00 0.00 O ATOM 0 H ASP A 65 -7.139 -4.836 -17.645 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.682 -2.802 -19.567 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.561 -4.956 -20.086 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.033 -5.828 -19.707 1.00 0.00 H new ATOM 909 N ALA A 66 -10.281 -4.651 -18.581 1.00 0.00 N ATOM 910 CA ALA A 66 -11.732 -4.634 -18.305 1.00 0.00 C ATOM 911 C ALA A 66 -12.068 -3.897 -16.991 1.00 0.00 C ATOM 912 O ALA A 66 -13.250 -3.674 -16.706 1.00 0.00 O ATOM 913 CB ALA A 66 -12.275 -6.069 -18.266 1.00 0.00 C ATOM 0 H ALA A 66 -9.822 -5.519 -18.304 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.214 -4.084 -19.114 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.346 -6.048 -18.062 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.098 -6.551 -19.228 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.767 -6.629 -17.481 1.00 0.00 H new ATOM 919 N ASP A 67 -11.008 -3.554 -16.213 1.00 0.00 N ATOM 920 CA ASP A 67 -11.074 -2.835 -14.908 1.00 0.00 C ATOM 921 C ASP A 67 -11.622 -3.715 -13.752 1.00 0.00 C ATOM 922 O ASP A 67 -10.939 -3.932 -12.746 1.00 0.00 O ATOM 923 CB ASP A 67 -11.869 -1.496 -15.029 1.00 0.00 C ATOM 924 CG ASP A 67 -12.005 -0.739 -13.688 1.00 0.00 C ATOM 925 OD1 ASP A 67 -11.090 0.030 -13.323 1.00 0.00 O ATOM 926 OD2 ASP A 67 -13.031 -0.917 -12.989 1.00 0.00 O ATOM 0 H ASP A 67 -10.050 -3.777 -16.484 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.044 -2.594 -14.646 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.371 -0.851 -15.753 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.864 -1.707 -15.421 1.00 0.00 H new ATOM 931 N SER A 68 -12.850 -4.197 -13.919 1.00 0.00 N ATOM 932 CA SER A 68 -13.665 -4.807 -12.858 1.00 0.00 C ATOM 933 C SER A 68 -13.103 -6.150 -12.328 1.00 0.00 C ATOM 934 O SER A 68 -12.655 -6.247 -11.177 1.00 0.00 O ATOM 935 CB SER A 68 -15.082 -5.010 -13.422 1.00 0.00 C ATOM 936 OG SER A 68 -15.953 -5.621 -12.495 1.00 0.00 O ATOM 0 H SER A 68 -13.325 -4.176 -14.821 1.00 0.00 H new ATOM 0 HA SER A 68 -13.660 -4.135 -12.000 1.00 0.00 H new ATOM 0 HB2 SER A 68 -15.492 -4.045 -13.719 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.027 -5.623 -14.321 1.00 0.00 H new ATOM 0 HG SER A 68 -15.744 -6.576 -12.430 1.00 0.00 H new ATOM 942 N PHE A 69 -13.128 -7.175 -13.186 1.00 0.00 N ATOM 943 CA PHE A 69 -12.841 -8.580 -12.810 1.00 0.00 C ATOM 944 C PHE A 69 -11.977 -9.245 -13.890 1.00 0.00 C ATOM 945 O PHE A 69 -11.814 -10.465 -13.865 1.00 0.00 O ATOM 946 CB PHE A 69 -14.169 -9.386 -12.624 1.00 0.00 C ATOM 947 CG PHE A 69 -14.942 -9.082 -11.339 1.00 0.00 C ATOM 948 CD1 PHE A 69 -14.372 -9.347 -10.093 1.00 0.00 C ATOM 949 CD2 PHE A 69 -16.231 -8.548 -11.374 1.00 0.00 C ATOM 950 CE1 PHE A 69 -15.072 -9.096 -8.924 1.00 0.00 C ATOM 951 CE2 PHE A 69 -16.927 -8.301 -10.206 1.00 0.00 C ATOM 952 CZ PHE A 69 -16.347 -8.570 -8.982 1.00 0.00 C ATOM 0 H PHE A 69 -13.350 -7.060 -14.175 1.00 0.00 H new ATOM 0 HA PHE A 69 -12.300 -8.579 -11.864 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -14.819 -9.186 -13.476 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -13.935 -10.450 -12.645 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -13.373 -9.753 -10.039 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -16.690 -8.325 -12.326 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -14.620 -9.312 -7.967 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -17.927 -7.896 -10.251 1.00 0.00 H new ATOM 0 HZ PHE A 69 -16.891 -8.369 -8.071 1.00 0.00 H new ATOM 962 N TYR A 70 -11.473 -8.426 -14.859 1.00 0.00 N ATOM 963 CA TYR A 70 -10.907 -8.910 -16.149 1.00 0.00 C ATOM 964 C TYR A 70 -12.030 -9.516 -17.046 1.00 0.00 C ATOM 965 O TYR A 70 -11.768 -10.059 -18.119 1.00 0.00 O ATOM 966 CB TYR A 70 -9.715 -9.899 -15.898 1.00 0.00 C ATOM 967 CG TYR A 70 -9.053 -10.542 -17.132 1.00 0.00 C ATOM 968 CD1 TYR A 70 -8.501 -9.771 -18.154 1.00 0.00 C ATOM 969 CD2 TYR A 70 -8.972 -11.926 -17.254 1.00 0.00 C ATOM 970 CE1 TYR A 70 -7.906 -10.362 -19.254 1.00 0.00 C ATOM 971 CE2 TYR A 70 -8.374 -12.518 -18.345 1.00 0.00 C ATOM 972 CZ TYR A 70 -7.842 -11.737 -19.342 1.00 0.00 C ATOM 973 OH TYR A 70 -7.257 -12.336 -20.438 1.00 0.00 O ATOM 0 H TYR A 70 -11.449 -7.411 -14.765 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.492 -8.065 -16.698 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -8.944 -9.363 -15.344 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -10.073 -10.701 -15.252 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.539 -8.694 -18.086 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.387 -12.550 -16.476 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.493 -9.749 -20.041 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.324 -13.594 -18.416 1.00 0.00 H new ATOM 0 HH TYR A 70 -7.296 -13.310 -20.338 1.00 0.00 H new ATOM 983 N GLN A 71 -13.303 -9.336 -16.622 1.00 0.00 N ATOM 984 CA GLN A 71 -14.477 -9.909 -17.294 1.00 0.00 C ATOM 985 C GLN A 71 -15.287 -8.794 -18.003 1.00 0.00 C ATOM 986 O GLN A 71 -14.769 -8.155 -18.932 1.00 0.00 O ATOM 987 CB GLN A 71 -15.343 -10.698 -16.274 1.00 0.00 C ATOM 988 CG GLN A 71 -14.621 -11.833 -15.521 1.00 0.00 C ATOM 989 CD GLN A 71 -15.472 -12.451 -14.405 1.00 0.00 C ATOM 990 OE1 GLN A 71 -16.701 -12.491 -14.491 1.00 0.00 O ATOM 991 NE2 GLN A 71 -14.827 -12.927 -13.346 1.00 0.00 N ATOM 0 H GLN A 71 -13.538 -8.784 -15.797 1.00 0.00 H new ATOM 0 HA GLN A 71 -14.149 -10.611 -18.060 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -15.739 -9.995 -15.541 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.197 -11.123 -16.802 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.342 -12.612 -16.231 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.696 -11.446 -15.093 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.809 -12.879 -13.305 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.350 -13.340 -12.574 1.00 0.00 H new ATOM 1000 N PHE A 72 -16.546 -8.537 -17.571 1.00 0.00 N ATOM 1001 CA PHE A 72 -17.517 -7.735 -18.314 1.00 0.00 C ATOM 1002 C PHE A 72 -18.370 -6.978 -17.299 1.00 0.00 C ATOM 1003 O PHE A 72 -18.786 -7.536 -16.284 1.00 0.00 O ATOM 1004 CB PHE A 72 -18.417 -8.649 -19.192 1.00 0.00 C ATOM 1005 CG PHE A 72 -17.639 -9.489 -20.214 1.00 0.00 C ATOM 1006 CD1 PHE A 72 -17.288 -8.972 -21.455 1.00 0.00 C ATOM 1007 CD2 PHE A 72 -17.218 -10.786 -19.909 1.00 0.00 C ATOM 1008 CE1 PHE A 72 -16.556 -9.728 -22.359 1.00 0.00 C ATOM 1009 CE2 PHE A 72 -16.483 -11.531 -20.814 1.00 0.00 C ATOM 1010 CZ PHE A 72 -16.156 -11.002 -22.037 1.00 0.00 C ATOM 0 H PHE A 72 -16.908 -8.890 -16.685 1.00 0.00 H new ATOM 0 HA PHE A 72 -17.002 -7.038 -18.975 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -18.983 -9.317 -18.543 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -19.141 -8.029 -19.721 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.589 -7.969 -21.719 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -17.471 -11.214 -18.950 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -16.299 -9.312 -23.322 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -16.166 -12.531 -20.557 1.00 0.00 H new ATOM 0 HZ PHE A 72 -15.586 -11.586 -22.744 1.00 0.00 H new ATOM 1020 N SER A 73 -18.643 -5.727 -17.601 1.00 0.00 N ATOM 1021 CA SER A 73 -19.376 -4.810 -16.730 1.00 0.00 C ATOM 1022 C SER A 73 -20.443 -4.072 -17.521 1.00 0.00 C ATOM 1023 O SER A 73 -20.371 -3.962 -18.744 1.00 0.00 O ATOM 1024 CB SER A 73 -18.394 -3.786 -16.117 1.00 0.00 C ATOM 1025 OG SER A 73 -17.352 -4.435 -15.422 1.00 0.00 O ATOM 0 H SER A 73 -18.357 -5.300 -18.482 1.00 0.00 H new ATOM 0 HA SER A 73 -19.855 -5.384 -15.937 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.975 -3.162 -16.906 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.931 -3.124 -15.438 1.00 0.00 H new ATOM 0 HG SER A 73 -16.489 -4.075 -15.715 1.00 0.00 H new ATOM 1031 N CYS A 74 -21.428 -3.574 -16.785 1.00 0.00 N ATOM 1032 CA CYS A 74 -22.407 -2.618 -17.282 1.00 0.00 C ATOM 1033 C CYS A 74 -21.926 -1.232 -16.843 1.00 0.00 C ATOM 1034 O CYS A 74 -21.809 -0.992 -15.653 1.00 0.00 O ATOM 1035 CB CYS A 74 -23.801 -2.931 -16.698 1.00 0.00 C ATOM 1036 SG CYS A 74 -25.046 -1.653 -17.028 1.00 0.00 S ATOM 0 H CYS A 74 -21.571 -3.828 -15.808 1.00 0.00 H new ATOM 0 HA CYS A 74 -22.497 -2.667 -18.367 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -24.151 -3.878 -17.108 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -23.710 -3.065 -15.620 1.00 0.00 H new ATOM 1041 N ASN A 75 -21.594 -0.349 -17.787 1.00 0.00 N ATOM 1042 CA ASN A 75 -21.120 1.016 -17.463 1.00 0.00 C ATOM 1043 C ASN A 75 -22.225 1.860 -16.768 1.00 0.00 C ATOM 1044 O ASN A 75 -21.927 2.847 -16.077 1.00 0.00 O ATOM 1045 CB ASN A 75 -20.611 1.710 -18.749 1.00 0.00 C ATOM 1046 CG ASN A 75 -19.908 3.048 -18.489 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -20.533 4.111 -18.527 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -18.614 3.010 -18.193 1.00 0.00 N ATOM 0 H ASN A 75 -21.642 -0.547 -18.787 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.295 0.934 -16.755 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -19.921 1.041 -19.264 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -21.454 1.877 -19.420 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -18.112 3.874 -17.990 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -18.122 2.117 -18.169 1.00 0.00 H new ATOM 1055 N ILE A 76 -23.496 1.430 -16.927 1.00 0.00 N ATOM 1056 CA ILE A 76 -24.665 2.172 -16.434 1.00 0.00 C ATOM 1057 C ILE A 76 -24.989 1.817 -14.955 1.00 0.00 C ATOM 1058 O ILE A 76 -25.346 2.712 -14.185 1.00 0.00 O ATOM 1059 CB ILE A 76 -25.943 1.950 -17.349 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -25.559 2.020 -18.878 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -27.056 2.972 -16.996 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -26.709 2.217 -19.859 1.00 0.00 C ATOM 0 H ILE A 76 -23.734 0.559 -17.401 1.00 0.00 H new ATOM 0 HA ILE A 76 -24.401 3.229 -16.481 1.00 0.00 H new ATOM 0 HB ILE A 76 -26.335 0.952 -17.154 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -24.850 2.837 -19.015 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -25.039 1.099 -19.142 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -27.922 2.802 -17.635 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -27.345 2.849 -15.952 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -26.683 3.984 -17.152 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -26.318 2.249 -20.876 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -27.412 1.389 -19.766 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -27.220 3.154 -19.637 1.00 0.00 H new ATOM 1074 N CYS A 77 -24.880 0.517 -14.546 1.00 0.00 N ATOM 1075 CA CYS A 77 -25.217 0.130 -13.143 1.00 0.00 C ATOM 1076 C CYS A 77 -24.264 -0.930 -12.552 1.00 0.00 C ATOM 1077 O CYS A 77 -24.419 -1.310 -11.385 1.00 0.00 O ATOM 1078 CB CYS A 77 -26.697 -0.335 -13.045 1.00 0.00 C ATOM 1079 SG CYS A 77 -27.065 -1.950 -13.804 1.00 0.00 S ATOM 0 H CYS A 77 -24.574 -0.252 -15.142 1.00 0.00 H new ATOM 0 HA CYS A 77 -25.083 1.025 -12.536 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -26.978 -0.376 -11.993 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -27.328 0.420 -13.514 1.00 0.00 H new ATOM 1084 N GLY A 78 -23.279 -1.385 -13.350 1.00 0.00 N ATOM 1085 CA GLY A 78 -22.233 -2.314 -12.890 1.00 0.00 C ATOM 1086 C GLY A 78 -22.753 -3.647 -12.393 1.00 0.00 C ATOM 1087 O GLY A 78 -22.288 -4.156 -11.375 1.00 0.00 O ATOM 0 H GLY A 78 -23.187 -1.118 -14.330 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -21.537 -2.492 -13.710 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -21.667 -1.837 -12.089 1.00 0.00 H new ATOM 1091 N LYS A 79 -23.752 -4.191 -13.102 1.00 0.00 N ATOM 1092 CA LYS A 79 -24.381 -5.480 -12.761 1.00 0.00 C ATOM 1093 C LYS A 79 -23.388 -6.683 -12.930 1.00 0.00 C ATOM 1094 O LYS A 79 -23.520 -7.686 -12.224 1.00 0.00 O ATOM 1095 CB LYS A 79 -25.665 -5.626 -13.627 1.00 0.00 C ATOM 1096 CG LYS A 79 -26.892 -6.238 -12.919 1.00 0.00 C ATOM 1097 CD LYS A 79 -26.694 -7.698 -12.454 1.00 0.00 C ATOM 1098 CE LYS A 79 -27.902 -8.252 -11.683 1.00 0.00 C ATOM 1099 NZ LYS A 79 -27.642 -9.611 -11.136 1.00 0.00 N ATOM 0 H LYS A 79 -24.150 -3.750 -13.931 1.00 0.00 H new ATOM 0 HA LYS A 79 -24.657 -5.496 -11.707 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -25.941 -4.640 -14.002 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -25.426 -6.241 -14.494 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -27.141 -5.624 -12.054 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -27.745 -6.197 -13.596 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -26.505 -8.328 -13.323 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -25.809 -7.755 -11.821 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -28.152 -7.575 -10.866 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -28.768 -8.287 -12.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -28.483 -9.946 -10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -27.429 -10.264 -11.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -26.832 -9.574 -10.485 1.00 0.00 H new ATOM 1113 N LYS A 80 -22.405 -6.546 -13.871 1.00 0.00 N ATOM 1114 CA LYS A 80 -21.272 -7.498 -14.082 1.00 0.00 C ATOM 1115 C LYS A 80 -21.766 -8.815 -14.711 1.00 0.00 C ATOM 1116 O LYS A 80 -22.460 -9.595 -14.048 1.00 0.00 O ATOM 1117 CB LYS A 80 -20.461 -7.806 -12.775 1.00 0.00 C ATOM 1118 CG LYS A 80 -20.053 -6.582 -11.925 1.00 0.00 C ATOM 1119 CD LYS A 80 -19.238 -5.517 -12.696 1.00 0.00 C ATOM 1120 CE LYS A 80 -18.827 -4.340 -11.793 1.00 0.00 C ATOM 1121 NZ LYS A 80 -17.988 -3.355 -12.512 1.00 0.00 N ATOM 0 H LYS A 80 -22.379 -5.756 -14.515 1.00 0.00 H new ATOM 0 HA LYS A 80 -20.591 -6.996 -14.769 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -21.055 -8.474 -12.152 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -19.557 -8.348 -13.052 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -20.953 -6.115 -11.525 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -19.467 -6.925 -11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.345 -5.979 -13.118 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.829 -5.143 -13.532 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.721 -3.846 -11.413 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.281 -4.719 -10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.098 -3.212 -11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.778 -3.709 -13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.497 -2.451 -12.582 1.00 0.00 H new ATOM 1135 N PHE A 81 -21.401 -9.063 -15.988 1.00 0.00 N ATOM 1136 CA PHE A 81 -21.948 -10.208 -16.773 1.00 0.00 C ATOM 1137 C PHE A 81 -20.877 -11.189 -17.260 1.00 0.00 C ATOM 1138 O PHE A 81 -19.680 -10.898 -17.226 1.00 0.00 O ATOM 1139 CB PHE A 81 -22.766 -9.681 -17.968 1.00 0.00 C ATOM 1140 CG PHE A 81 -24.011 -8.923 -17.534 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -25.215 -9.593 -17.330 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -23.970 -7.552 -17.298 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -26.337 -8.918 -16.913 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -25.095 -6.881 -16.886 1.00 0.00 C ATOM 1145 CZ PHE A 81 -26.276 -7.570 -16.686 1.00 0.00 C ATOM 0 H PHE A 81 -20.732 -8.491 -16.502 1.00 0.00 H new ATOM 0 HA PHE A 81 -22.589 -10.770 -16.093 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -22.139 -9.026 -18.573 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -23.057 -10.518 -18.602 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -25.267 -10.658 -17.502 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -23.046 -7.011 -17.440 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -27.265 -9.450 -16.765 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -25.057 -5.815 -16.718 1.00 0.00 H new ATOM 0 HZ PHE A 81 -27.156 -7.042 -16.349 1.00 0.00 H new ATOM 1155 N GLU A 82 -21.354 -12.381 -17.680 1.00 0.00 N ATOM 1156 CA GLU A 82 -20.523 -13.441 -18.264 1.00 0.00 C ATOM 1157 C GLU A 82 -19.952 -13.067 -19.646 1.00 0.00 C ATOM 1158 O GLU A 82 -18.830 -13.471 -19.970 1.00 0.00 O ATOM 1159 CB GLU A 82 -21.351 -14.748 -18.339 1.00 0.00 C ATOM 1160 CG GLU A 82 -20.592 -15.991 -18.845 1.00 0.00 C ATOM 1161 CD GLU A 82 -19.388 -16.379 -17.971 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -19.599 -16.918 -16.861 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -18.228 -16.163 -18.387 1.00 0.00 O ATOM 0 H GLU A 82 -22.341 -12.631 -17.619 1.00 0.00 H new ATOM 0 HA GLU A 82 -19.658 -13.584 -17.616 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -21.745 -14.965 -17.346 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -22.207 -14.577 -18.991 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -21.282 -16.833 -18.891 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -20.247 -15.806 -19.862 1.00 0.00 H new ATOM 1170 N LYS A 83 -20.723 -12.323 -20.469 1.00 0.00 N ATOM 1171 CA LYS A 83 -20.234 -11.834 -21.774 1.00 0.00 C ATOM 1172 C LYS A 83 -20.931 -10.527 -22.187 1.00 0.00 C ATOM 1173 O LYS A 83 -21.924 -10.115 -21.570 1.00 0.00 O ATOM 1174 CB LYS A 83 -20.367 -12.906 -22.903 1.00 0.00 C ATOM 1175 CG LYS A 83 -21.806 -13.258 -23.361 1.00 0.00 C ATOM 1176 CD LYS A 83 -22.570 -14.179 -22.381 1.00 0.00 C ATOM 1177 CE LYS A 83 -21.927 -15.568 -22.225 1.00 0.00 C ATOM 1178 NZ LYS A 83 -21.793 -16.280 -23.526 1.00 0.00 N ATOM 0 H LYS A 83 -21.682 -12.050 -20.253 1.00 0.00 H new ATOM 0 HA LYS A 83 -19.171 -11.630 -21.643 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -19.809 -12.557 -23.772 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.885 -13.822 -22.562 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -22.371 -12.335 -23.491 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -21.758 -13.743 -24.336 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -22.620 -13.697 -21.404 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -23.596 -14.298 -22.730 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -20.943 -15.461 -21.769 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -22.529 -16.170 -21.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -21.483 -17.258 -23.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -22.712 -16.288 -24.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -21.091 -15.792 -24.118 1.00 0.00 H new ATOM 1192 N LYS A 84 -20.396 -9.918 -23.265 1.00 0.00 N ATOM 1193 CA LYS A 84 -20.894 -8.661 -23.857 1.00 0.00 C ATOM 1194 C LYS A 84 -22.368 -8.793 -24.263 1.00 0.00 C ATOM 1195 O LYS A 84 -23.144 -7.868 -24.058 1.00 0.00 O ATOM 1196 CB LYS A 84 -20.044 -8.285 -25.100 1.00 0.00 C ATOM 1197 CG LYS A 84 -18.548 -8.020 -24.815 1.00 0.00 C ATOM 1198 CD LYS A 84 -18.267 -6.673 -24.086 1.00 0.00 C ATOM 1199 CE LYS A 84 -18.101 -5.480 -25.051 1.00 0.00 C ATOM 1200 NZ LYS A 84 -19.317 -5.187 -25.850 1.00 0.00 N ATOM 0 H LYS A 84 -19.587 -10.296 -23.759 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.809 -7.875 -23.106 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -20.122 -9.090 -25.831 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -20.474 -7.395 -25.559 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -18.154 -8.837 -24.210 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -18.002 -8.031 -25.758 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -19.085 -6.463 -23.397 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.363 -6.774 -23.486 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.832 -4.594 -24.476 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.272 -5.684 -25.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -19.262 -4.218 -26.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.383 -5.859 -26.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -20.159 -5.278 -25.247 1.00 0.00 H new ATOM 1214 N ASP A 85 -22.736 -9.968 -24.824 1.00 0.00 N ATOM 1215 CA ASP A 85 -24.125 -10.255 -25.263 1.00 0.00 C ATOM 1216 C ASP A 85 -25.126 -10.030 -24.122 1.00 0.00 C ATOM 1217 O ASP A 85 -26.172 -9.415 -24.329 1.00 0.00 O ATOM 1218 CB ASP A 85 -24.258 -11.708 -25.791 1.00 0.00 C ATOM 1219 CG ASP A 85 -25.644 -12.007 -26.415 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -25.828 -11.764 -27.625 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -26.549 -12.500 -25.697 1.00 0.00 O ATOM 0 H ASP A 85 -22.087 -10.738 -24.985 1.00 0.00 H new ATOM 0 HA ASP A 85 -24.354 -9.563 -26.074 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -23.484 -11.889 -26.537 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -24.078 -12.403 -24.971 1.00 0.00 H new ATOM 1226 N SER A 86 -24.778 -10.521 -22.917 1.00 0.00 N ATOM 1227 CA SER A 86 -25.616 -10.363 -21.726 1.00 0.00 C ATOM 1228 C SER A 86 -25.770 -8.877 -21.327 1.00 0.00 C ATOM 1229 O SER A 86 -26.835 -8.470 -20.868 1.00 0.00 O ATOM 1230 CB SER A 86 -25.019 -11.169 -20.563 1.00 0.00 C ATOM 1231 OG SER A 86 -24.853 -12.529 -20.915 1.00 0.00 O ATOM 0 H SER A 86 -23.913 -11.034 -22.748 1.00 0.00 H new ATOM 0 HA SER A 86 -26.611 -10.742 -21.960 1.00 0.00 H new ATOM 0 HB2 SER A 86 -24.056 -10.744 -20.279 1.00 0.00 H new ATOM 0 HB3 SER A 86 -25.670 -11.093 -19.692 1.00 0.00 H new ATOM 0 HG SER A 86 -24.470 -13.019 -20.157 1.00 0.00 H new ATOM 1237 N VAL A 87 -24.701 -8.078 -21.535 1.00 0.00 N ATOM 1238 CA VAL A 87 -24.648 -6.655 -21.111 1.00 0.00 C ATOM 1239 C VAL A 87 -25.491 -5.780 -22.067 1.00 0.00 C ATOM 1240 O VAL A 87 -26.222 -4.880 -21.632 1.00 0.00 O ATOM 1241 CB VAL A 87 -23.173 -6.081 -21.075 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -23.127 -4.704 -20.372 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -22.170 -7.057 -20.419 1.00 0.00 C ATOM 0 H VAL A 87 -23.851 -8.397 -22.000 1.00 0.00 H new ATOM 0 HA VAL A 87 -25.051 -6.621 -20.099 1.00 0.00 H new ATOM 0 HB VAL A 87 -22.866 -5.955 -22.113 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -22.102 -4.335 -20.362 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -23.761 -4.000 -20.910 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -23.486 -4.806 -19.348 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -21.175 -6.612 -20.421 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -22.476 -7.257 -19.392 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -22.151 -7.991 -20.980 1.00 0.00 H new ATOM 1253 N VAL A 88 -25.366 -6.090 -23.370 1.00 0.00 N ATOM 1254 CA VAL A 88 -26.014 -5.356 -24.481 1.00 0.00 C ATOM 1255 C VAL A 88 -27.515 -5.665 -24.476 1.00 0.00 C ATOM 1256 O VAL A 88 -28.353 -4.771 -24.679 1.00 0.00 O ATOM 1257 CB VAL A 88 -25.369 -5.735 -25.876 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -26.114 -5.065 -27.058 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -23.863 -5.369 -25.901 1.00 0.00 C ATOM 0 H VAL A 88 -24.799 -6.875 -23.691 1.00 0.00 H new ATOM 0 HA VAL A 88 -25.861 -4.287 -24.335 1.00 0.00 H new ATOM 0 HB VAL A 88 -25.468 -6.814 -25.998 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -25.639 -5.351 -27.996 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -27.154 -5.390 -27.064 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -26.073 -3.981 -26.947 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -23.439 -5.638 -26.869 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -23.746 -4.297 -25.739 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -23.343 -5.914 -25.113 1.00 0.00 H new ATOM 1269 N ALA A 89 -27.837 -6.941 -24.178 1.00 0.00 N ATOM 1270 CA ALA A 89 -29.224 -7.408 -24.046 1.00 0.00 C ATOM 1271 C ALA A 89 -29.881 -6.701 -22.856 1.00 0.00 C ATOM 1272 O ALA A 89 -31.024 -6.239 -22.926 1.00 0.00 O ATOM 1273 CB ALA A 89 -29.270 -8.934 -23.863 1.00 0.00 C ATOM 0 H ALA A 89 -27.142 -7.671 -24.023 1.00 0.00 H new ATOM 0 HA ALA A 89 -29.772 -7.167 -24.957 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -30.306 -9.258 -23.767 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -28.817 -9.418 -24.728 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -28.719 -9.209 -22.964 1.00 0.00 H new ATOM 1279 N HIS A 90 -29.092 -6.581 -21.780 1.00 0.00 N ATOM 1280 CA HIS A 90 -29.512 -5.960 -20.513 1.00 0.00 C ATOM 1281 C HIS A 90 -29.649 -4.427 -20.639 1.00 0.00 C ATOM 1282 O HIS A 90 -30.451 -3.828 -19.937 1.00 0.00 O ATOM 1283 CB HIS A 90 -28.496 -6.364 -19.406 1.00 0.00 C ATOM 1284 CG HIS A 90 -28.398 -5.461 -18.209 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -29.119 -5.607 -17.047 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -27.563 -4.425 -17.999 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -28.701 -4.669 -16.189 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -27.748 -3.926 -16.727 1.00 0.00 N ATOM 0 H HIS A 90 -28.129 -6.917 -21.763 1.00 0.00 H new ATOM 0 HA HIS A 90 -30.504 -6.323 -20.244 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -28.755 -7.363 -19.056 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -27.508 -6.432 -19.861 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -29.842 -6.305 -16.871 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -26.855 -4.043 -18.719 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -29.090 -4.536 -15.190 1.00 0.00 H new ATOM 1296 N LYS A 91 -28.835 -3.798 -21.496 1.00 0.00 N ATOM 1297 CA LYS A 91 -28.874 -2.332 -21.707 1.00 0.00 C ATOM 1298 C LYS A 91 -30.143 -1.962 -22.480 1.00 0.00 C ATOM 1299 O LYS A 91 -30.859 -1.023 -22.123 1.00 0.00 O ATOM 1300 CB LYS A 91 -27.619 -1.825 -22.469 1.00 0.00 C ATOM 1301 CG LYS A 91 -27.641 -0.303 -22.777 1.00 0.00 C ATOM 1302 CD LYS A 91 -26.484 0.159 -23.692 1.00 0.00 C ATOM 1303 CE LYS A 91 -25.099 0.019 -23.044 1.00 0.00 C ATOM 1304 NZ LYS A 91 -24.019 0.484 -23.944 1.00 0.00 N ATOM 0 H LYS A 91 -28.135 -4.279 -22.061 1.00 0.00 H new ATOM 0 HA LYS A 91 -28.880 -1.849 -20.730 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -26.731 -2.053 -21.879 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -27.529 -2.374 -23.406 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -28.590 -0.050 -23.249 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -27.594 0.250 -21.839 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -26.506 -0.422 -24.614 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -26.644 1.201 -23.968 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -25.072 0.593 -22.118 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -24.926 -1.024 -22.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -23.100 0.373 -23.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -24.028 -0.080 -24.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -24.169 1.486 -24.178 1.00 0.00 H new ATOM 1318 N ALA A 92 -30.405 -2.750 -23.530 1.00 0.00 N ATOM 1319 CA ALA A 92 -31.576 -2.582 -24.390 1.00 0.00 C ATOM 1320 C ALA A 92 -32.882 -2.777 -23.591 1.00 0.00 C ATOM 1321 O ALA A 92 -33.888 -2.109 -23.849 1.00 0.00 O ATOM 1322 CB ALA A 92 -31.499 -3.565 -25.565 1.00 0.00 C ATOM 0 H ALA A 92 -29.804 -3.527 -23.806 1.00 0.00 H new ATOM 0 HA ALA A 92 -31.581 -1.565 -24.782 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -32.373 -3.437 -26.204 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -30.595 -3.371 -26.143 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -31.474 -4.586 -25.184 1.00 0.00 H new ATOM 1328 N LYS A 93 -32.828 -3.673 -22.588 1.00 0.00 N ATOM 1329 CA LYS A 93 -33.997 -4.112 -21.837 1.00 0.00 C ATOM 1330 C LYS A 93 -34.213 -3.253 -20.571 1.00 0.00 C ATOM 1331 O LYS A 93 -35.323 -2.771 -20.319 1.00 0.00 O ATOM 1332 CB LYS A 93 -33.798 -5.602 -21.467 1.00 0.00 C ATOM 1333 CG LYS A 93 -34.944 -6.219 -20.665 1.00 0.00 C ATOM 1334 CD LYS A 93 -34.739 -7.727 -20.371 1.00 0.00 C ATOM 1335 CE LYS A 93 -35.835 -8.311 -19.458 1.00 0.00 C ATOM 1336 NZ LYS A 93 -35.912 -7.600 -18.154 1.00 0.00 N ATOM 0 H LYS A 93 -31.959 -4.111 -22.281 1.00 0.00 H new ATOM 0 HA LYS A 93 -34.890 -3.993 -22.450 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -33.664 -6.175 -22.384 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -32.877 -5.700 -20.893 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -35.049 -5.682 -19.722 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -35.876 -6.086 -21.214 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -34.725 -8.277 -21.312 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -33.766 -7.872 -19.902 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -36.799 -8.248 -19.963 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -35.636 -9.368 -19.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -36.482 -8.158 -17.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -34.954 -7.475 -17.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -36.354 -6.669 -18.292 1.00 0.00 H new ATOM 1350 N SER A 94 -33.131 -3.038 -19.799 1.00 0.00 N ATOM 1351 CA SER A 94 -33.196 -2.454 -18.448 1.00 0.00 C ATOM 1352 C SER A 94 -32.767 -0.971 -18.440 1.00 0.00 C ATOM 1353 O SER A 94 -32.898 -0.302 -17.412 1.00 0.00 O ATOM 1354 CB SER A 94 -32.324 -3.284 -17.467 1.00 0.00 C ATOM 1355 OG SER A 94 -32.450 -2.841 -16.121 1.00 0.00 O ATOM 0 H SER A 94 -32.183 -3.266 -20.098 1.00 0.00 H new ATOM 0 HA SER A 94 -34.234 -2.489 -18.119 1.00 0.00 H new ATOM 0 HB2 SER A 94 -32.611 -4.334 -17.529 1.00 0.00 H new ATOM 0 HB3 SER A 94 -31.279 -3.220 -17.771 1.00 0.00 H new ATOM 0 HG SER A 94 -32.758 -1.911 -16.110 1.00 0.00 H new ATOM 1361 N HIS A 95 -32.256 -0.456 -19.580 1.00 0.00 N ATOM 1362 CA HIS A 95 -31.857 0.974 -19.706 1.00 0.00 C ATOM 1363 C HIS A 95 -32.358 1.637 -21.035 1.00 0.00 C ATOM 1364 O HIS A 95 -31.593 2.406 -21.642 1.00 0.00 O ATOM 1365 CB HIS A 95 -30.305 1.105 -19.610 1.00 0.00 C ATOM 1366 CG HIS A 95 -29.683 0.526 -18.369 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -30.047 0.865 -17.088 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -28.679 -0.375 -18.245 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -29.267 0.183 -16.248 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -28.427 -0.589 -16.906 1.00 0.00 N ATOM 0 H HIS A 95 -32.108 -1.004 -20.428 1.00 0.00 H new ATOM 0 HA HIS A 95 -32.335 1.505 -18.883 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -29.862 0.618 -20.479 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -30.042 2.161 -19.668 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -30.783 1.521 -16.826 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -28.159 -0.850 -19.064 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -29.318 0.254 -15.172 1.00 0.00 H new ATOM 1378 N PRO A 96 -33.643 1.413 -21.517 1.00 0.00 N ATOM 1379 CA PRO A 96 -34.130 2.086 -22.742 1.00 0.00 C ATOM 1380 C PRO A 96 -34.389 3.590 -22.477 1.00 0.00 C ATOM 1381 O PRO A 96 -34.197 4.426 -23.358 1.00 0.00 O ATOM 1382 CB PRO A 96 -35.408 1.299 -23.115 1.00 0.00 C ATOM 1383 CG PRO A 96 -35.920 0.745 -21.816 1.00 0.00 C ATOM 1384 CD PRO A 96 -34.705 0.550 -20.922 1.00 0.00 C ATOM 0 HA PRO A 96 -33.411 2.078 -23.561 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -36.147 1.948 -23.585 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -35.187 0.501 -23.824 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -36.634 1.429 -21.357 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -36.440 -0.199 -21.975 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -34.921 0.842 -19.894 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -34.397 -0.495 -20.898 1.00 0.00 H new ATOM 1392 N GLU A 97 -34.812 3.911 -21.238 1.00 0.00 N ATOM 1393 CA GLU A 97 -34.919 5.267 -20.729 1.00 0.00 C ATOM 1394 C GLU A 97 -33.951 5.379 -19.548 1.00 0.00 C ATOM 1395 O GLU A 97 -34.256 4.941 -18.430 1.00 0.00 O ATOM 1396 CB GLU A 97 -36.377 5.580 -20.268 1.00 0.00 C ATOM 1397 CG GLU A 97 -37.467 5.361 -21.333 1.00 0.00 C ATOM 1398 CD GLU A 97 -37.341 6.289 -22.549 1.00 0.00 C ATOM 1399 OE1 GLU A 97 -37.778 7.459 -22.462 1.00 0.00 O ATOM 1400 OE2 GLU A 97 -36.824 5.857 -23.605 1.00 0.00 O ATOM 0 H GLU A 97 -35.093 3.206 -20.556 1.00 0.00 H new ATOM 0 HA GLU A 97 -34.670 5.986 -21.509 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -36.608 4.958 -19.403 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -36.420 6.617 -19.936 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -37.428 4.326 -21.672 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -38.445 5.509 -20.874 1.00 0.00 H new ATOM 1407 N VAL A 98 -32.770 5.908 -19.827 1.00 0.00 N ATOM 1408 CA VAL A 98 -31.747 6.215 -18.816 1.00 0.00 C ATOM 1409 C VAL A 98 -31.516 7.746 -18.790 1.00 0.00 C ATOM 1410 O VAL A 98 -31.753 8.375 -17.735 1.00 0.00 O ATOM 1411 CB VAL A 98 -30.408 5.388 -19.051 1.00 0.00 C ATOM 1412 CG1 VAL A 98 -29.889 5.463 -20.511 1.00 0.00 C ATOM 1413 CG2 VAL A 98 -29.298 5.794 -18.045 1.00 0.00 C ATOM 1414 OXT VAL A 98 -31.199 8.337 -19.845 1.00 0.00 O ATOM 0 H VAL A 98 -32.482 6.144 -20.777 1.00 0.00 H new ATOM 0 HA VAL A 98 -32.101 5.903 -17.834 1.00 0.00 H new ATOM 0 HB VAL A 98 -30.670 4.346 -18.868 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -28.974 4.878 -20.602 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -30.645 5.063 -21.187 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -29.683 6.501 -20.771 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -28.400 5.207 -18.238 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -29.071 6.854 -18.162 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -29.642 5.607 -17.028 1.00 0.00 H new TER 1424 VAL A 98 HETATM 1425 ZN ZN A 101 14.873 0.109 3.641 1.00 0.00 ZN HETATM 1426 ZN ZN A 102 -2.238 -2.496 -10.916 1.00 0.00 ZN HETATM 1427 ZN ZN A 103 -27.164 -2.036 -16.139 1.00 0.00 ZN