USER MOD reduce.3.24.130724 H: found=0, std=0, add=719, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 718 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 Set 1.1: A 37 TYR OH : rot 15:sc= -2.11 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 SER OG : rot -150:sc= -0.307 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 SER OG : rot 180:sc= 0 USER MOD Single : A -8 GLY N :NH3+ 180:sc= -0.0195 (180deg=-0.0195) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 34:sc= 0.224 USER MOD Single : A 18 SER OG : rot 180:sc= 0.145 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= -0.19 (180deg=-1.1) USER MOD Single : A 29 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.18) USER MOD Single : A 32 CYS SG : rot 160:sc= -0.699 USER MOD Single : A 34 GLN : amide:sc= -0.174 K(o=-0.17,f=-1) USER MOD Single : A 35 ASN : amide:sc= -0.304 K(o=-0.3,f=-3!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot -147:sc= 0.205 USER MOD Single : A 55 MET CE :methyl -121:sc= 0 (180deg=-0.043) USER MOD Single : A 56 LYS NZ :NH3+ 131:sc= -0.0755 (180deg=-0.52) USER MOD Single : A 58 HIS :FLIP no HE2:sc= -0.333 F(o=-1.1,f=-0.33) USER MOD Single : A 64 THR OG1 : rot 28:sc= 0.605 USER MOD Single : B 1 SER N :NH3+ 137:sc= 0.381 (180deg=-0.185) USER MOD Single : B 1 SER OG : rot 180:sc= 0.151 USER MOD Single : B 6 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0326) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ -148:sc= -0.0671 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -8 9.890 -9.084 -47.526 1.00 0.00 N ATOM 2 CA GLY A -8 10.915 -8.292 -46.662 1.00 0.00 C ATOM 3 C GLY A -8 10.441 -7.277 -45.718 1.00 0.00 C ATOM 4 O GLY A -8 11.213 -6.704 -44.970 1.00 0.00 O ATOM 0 H1 GLY A -8 10.397 -9.758 -48.135 1.00 0.00 H new ATOM 0 H2 GLY A -8 9.238 -9.603 -46.903 1.00 0.00 H new ATOM 0 H3 GLY A -8 9.349 -8.421 -48.118 1.00 0.00 H new ATOM 0 HA2 GLY A -8 11.492 -9.021 -46.093 1.00 0.00 H new ATOM 0 HA3 GLY A -8 11.607 -7.801 -47.347 1.00 0.00 H new ATOM 10 N SER A -7 9.158 -7.012 -45.713 1.00 0.00 N ATOM 11 CA SER A -7 8.601 -5.990 -44.777 1.00 0.00 C ATOM 12 C SER A -7 7.077 -5.952 -44.913 1.00 0.00 C ATOM 13 O SER A -7 6.495 -6.714 -45.663 1.00 0.00 O ATOM 14 CB SER A -7 9.177 -4.616 -45.123 1.00 0.00 C ATOM 15 OG SER A -7 9.253 -3.828 -43.941 1.00 0.00 O ATOM 0 H SER A -7 8.471 -7.461 -46.319 1.00 0.00 H new ATOM 0 HA SER A -7 8.869 -6.250 -43.753 1.00 0.00 H new ATOM 0 HB2 SER A -7 10.167 -4.725 -45.566 1.00 0.00 H new ATOM 0 HB3 SER A -7 8.549 -4.122 -45.864 1.00 0.00 H new ATOM 0 HG SER A -7 9.623 -2.947 -44.158 1.00 0.00 H new ATOM 21 N ARG A -6 6.429 -5.069 -44.193 1.00 0.00 N ATOM 22 CA ARG A -6 4.940 -4.974 -44.275 1.00 0.00 C ATOM 23 C ARG A -6 4.464 -3.730 -43.519 1.00 0.00 C ATOM 24 O ARG A -6 4.014 -3.811 -42.390 1.00 0.00 O ATOM 25 CB ARG A -6 4.311 -6.229 -43.654 1.00 0.00 C ATOM 26 CG ARG A -6 4.832 -6.419 -42.226 1.00 0.00 C ATOM 27 CD ARG A -6 4.807 -7.906 -41.867 1.00 0.00 C ATOM 28 NE ARG A -6 4.486 -8.063 -40.421 1.00 0.00 N ATOM 29 CZ ARG A -6 5.269 -8.766 -39.651 1.00 0.00 C ATOM 30 NH1 ARG A -6 6.525 -8.435 -39.522 1.00 0.00 N ATOM 31 NH2 ARG A -6 4.797 -9.799 -39.009 1.00 0.00 N ATOM 0 H ARG A -6 6.869 -4.409 -43.551 1.00 0.00 H new ATOM 0 HA ARG A -6 4.638 -4.898 -45.319 1.00 0.00 H new ATOM 0 HB2 ARG A -6 3.225 -6.136 -43.645 1.00 0.00 H new ATOM 0 HB3 ARG A -6 4.551 -7.104 -44.258 1.00 0.00 H new ATOM 0 HG2 ARG A -6 5.847 -6.031 -42.143 1.00 0.00 H new ATOM 0 HG3 ARG A -6 4.217 -5.854 -41.525 1.00 0.00 H new ATOM 0 HD2 ARG A -6 4.065 -8.425 -42.474 1.00 0.00 H new ATOM 0 HD3 ARG A -6 5.773 -8.360 -42.087 1.00 0.00 H new ATOM 0 HE ARG A -6 3.653 -7.620 -40.033 1.00 0.00 H new ATOM 0 HH11 ARG A -6 6.893 -7.627 -40.023 1.00 0.00 H new ATOM 0 HH12 ARG A -6 7.138 -8.985 -38.920 1.00 0.00 H new ATOM 0 HH21 ARG A -6 3.815 -10.057 -39.109 1.00 0.00 H new ATOM 0 HH22 ARG A -6 5.410 -10.349 -38.407 1.00 0.00 H new ATOM 45 N ARG A -5 4.558 -2.577 -44.138 1.00 0.00 N ATOM 46 CA ARG A -5 4.113 -1.320 -43.464 1.00 0.00 C ATOM 47 C ARG A -5 2.583 -1.279 -43.420 1.00 0.00 C ATOM 48 O ARG A -5 1.918 -1.613 -44.384 1.00 0.00 O ATOM 49 CB ARG A -5 4.633 -0.111 -44.249 1.00 0.00 C ATOM 50 CG ARG A -5 4.988 1.018 -43.277 1.00 0.00 C ATOM 51 CD ARG A -5 6.484 0.969 -42.961 1.00 0.00 C ATOM 52 NE ARG A -5 7.257 1.453 -44.139 1.00 0.00 N ATOM 53 CZ ARG A -5 7.625 2.703 -44.209 1.00 0.00 C ATOM 54 NH1 ARG A -5 6.771 3.613 -44.592 1.00 0.00 N ATOM 55 NH2 ARG A -5 8.846 3.043 -43.899 1.00 0.00 N ATOM 0 H ARG A -5 4.924 -2.454 -45.082 1.00 0.00 H new ATOM 0 HA ARG A -5 4.507 -1.292 -42.448 1.00 0.00 H new ATOM 0 HB2 ARG A -5 5.510 -0.393 -44.831 1.00 0.00 H new ATOM 0 HB3 ARG A -5 3.877 0.229 -44.956 1.00 0.00 H new ATOM 0 HG2 ARG A -5 4.729 1.983 -43.714 1.00 0.00 H new ATOM 0 HG3 ARG A -5 4.408 0.918 -42.359 1.00 0.00 H new ATOM 0 HD2 ARG A -5 6.703 1.587 -42.090 1.00 0.00 H new ATOM 0 HD3 ARG A -5 6.781 -0.050 -42.712 1.00 0.00 H new ATOM 0 HE ARG A -5 7.499 0.807 -44.891 1.00 0.00 H new ATOM 0 HH11 ARG A -5 5.817 3.347 -44.836 1.00 0.00 H new ATOM 0 HH12 ARG A -5 7.058 4.590 -44.647 1.00 0.00 H new ATOM 0 HH21 ARG A -5 9.514 2.331 -43.602 1.00 0.00 H new ATOM 0 HH22 ARG A -5 9.133 4.020 -43.954 1.00 0.00 H new ATOM 69 N ALA A -4 2.021 -0.871 -42.307 1.00 0.00 N ATOM 70 CA ALA A -4 0.531 -0.805 -42.195 1.00 0.00 C ATOM 71 C ALA A -4 0.115 0.491 -41.484 1.00 0.00 C ATOM 72 O ALA A -4 -0.956 0.575 -40.916 1.00 0.00 O ATOM 73 CB ALA A -4 0.029 -2.008 -41.392 1.00 0.00 C ATOM 0 H ALA A -4 2.530 -0.581 -41.472 1.00 0.00 H new ATOM 0 HA ALA A -4 0.096 -0.820 -43.194 1.00 0.00 H new ATOM 0 HB1 ALA A -4 -1.057 -1.962 -41.309 1.00 0.00 H new ATOM 0 HB2 ALA A -4 0.316 -2.929 -41.899 1.00 0.00 H new ATOM 0 HB3 ALA A -4 0.470 -1.990 -40.395 1.00 0.00 H new ATOM 79 N SER A -3 0.955 1.505 -41.516 1.00 0.00 N ATOM 80 CA SER A -3 0.614 2.802 -40.847 1.00 0.00 C ATOM 81 C SER A -3 0.335 2.565 -39.343 1.00 0.00 C ATOM 82 O SER A -3 1.239 2.624 -38.529 1.00 0.00 O ATOM 83 CB SER A -3 -0.611 3.422 -41.532 1.00 0.00 C ATOM 84 OG SER A -3 -0.246 3.872 -42.832 1.00 0.00 O ATOM 0 H SER A -3 1.864 1.487 -41.979 1.00 0.00 H new ATOM 0 HA SER A -3 1.455 3.490 -40.935 1.00 0.00 H new ATOM 0 HB2 SER A -3 -1.414 2.688 -41.601 1.00 0.00 H new ATOM 0 HB3 SER A -3 -0.991 4.255 -40.940 1.00 0.00 H new ATOM 0 HG SER A -3 -1.027 4.267 -43.273 1.00 0.00 H new ATOM 90 N VAL A -2 -0.904 2.300 -38.965 1.00 0.00 N ATOM 91 CA VAL A -2 -1.218 2.066 -37.522 1.00 0.00 C ATOM 92 C VAL A -2 -1.882 0.695 -37.362 1.00 0.00 C ATOM 93 O VAL A -2 -2.356 0.114 -38.322 1.00 0.00 O ATOM 94 CB VAL A -2 -2.175 3.153 -37.026 1.00 0.00 C ATOM 95 CG1 VAL A -2 -2.370 3.014 -35.517 1.00 0.00 C ATOM 96 CG2 VAL A -2 -1.586 4.532 -37.339 1.00 0.00 C ATOM 0 H VAL A -2 -1.702 2.238 -39.597 1.00 0.00 H new ATOM 0 HA VAL A -2 -0.297 2.097 -36.940 1.00 0.00 H new ATOM 0 HB VAL A -2 -3.137 3.045 -37.527 1.00 0.00 H new ATOM 0 HG11 VAL A -2 -3.052 3.789 -35.165 1.00 0.00 H new ATOM 0 HG12 VAL A -2 -2.789 2.033 -35.293 1.00 0.00 H new ATOM 0 HG13 VAL A -2 -1.409 3.121 -35.015 1.00 0.00 H new ATOM 0 HG21 VAL A -2 -2.267 5.307 -36.986 1.00 0.00 H new ATOM 0 HG22 VAL A -2 -0.624 4.639 -36.838 1.00 0.00 H new ATOM 0 HG23 VAL A -2 -1.448 4.633 -38.416 1.00 0.00 H new ATOM 106 N GLY A -1 -1.920 0.175 -36.156 1.00 0.00 N ATOM 107 CA GLY A -1 -2.556 -1.158 -35.937 1.00 0.00 C ATOM 108 C GLY A -1 -2.337 -1.616 -34.491 1.00 0.00 C ATOM 109 O GLY A -1 -1.363 -2.275 -34.180 1.00 0.00 O ATOM 0 H GLY A -1 -1.539 0.617 -35.319 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -3.623 -1.100 -36.150 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -2.133 -1.889 -36.626 1.00 0.00 H new ATOM 113 N SER A 0 -3.249 -1.279 -33.607 1.00 0.00 N ATOM 114 CA SER A 0 -3.112 -1.703 -32.178 1.00 0.00 C ATOM 115 C SER A 0 -4.015 -2.908 -31.933 1.00 0.00 C ATOM 116 O SER A 0 -4.810 -3.278 -32.775 1.00 0.00 O ATOM 117 CB SER A 0 -3.540 -0.557 -31.253 1.00 0.00 C ATOM 118 OG SER A 0 -4.495 0.256 -31.923 1.00 0.00 O ATOM 0 H SER A 0 -4.082 -0.728 -33.815 1.00 0.00 H new ATOM 0 HA SER A 0 -2.074 -1.963 -31.972 1.00 0.00 H new ATOM 0 HB2 SER A 0 -3.967 -0.957 -30.333 1.00 0.00 H new ATOM 0 HB3 SER A 0 -2.673 0.039 -30.969 1.00 0.00 H new ATOM 0 HG SER A 0 -4.423 1.179 -31.600 1.00 0.00 H new ATOM 124 N MET A 1 -3.906 -3.514 -30.780 1.00 0.00 N ATOM 125 CA MET A 1 -4.769 -4.689 -30.463 1.00 0.00 C ATOM 126 C MET A 1 -5.550 -4.424 -29.191 1.00 0.00 C ATOM 127 O MET A 1 -5.551 -3.321 -28.676 1.00 0.00 O ATOM 128 CB MET A 1 -3.912 -5.943 -30.303 1.00 0.00 C ATOM 129 CG MET A 1 -3.787 -6.629 -31.657 1.00 0.00 C ATOM 130 SD MET A 1 -2.184 -7.463 -31.778 1.00 0.00 S ATOM 131 CE MET A 1 -2.264 -7.851 -33.544 1.00 0.00 C ATOM 0 H MET A 1 -3.255 -3.245 -30.043 1.00 0.00 H new ATOM 0 HA MET A 1 -5.469 -4.847 -31.283 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.926 -5.680 -29.921 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.365 -6.619 -29.578 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.593 -7.351 -31.785 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.887 -5.895 -32.457 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.358 -8.378 -33.842 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.131 -8.482 -33.739 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.351 -6.927 -34.116 1.00 0.00 H new ATOM 141 N GLU A 2 -6.229 -5.424 -28.681 1.00 0.00 N ATOM 142 CA GLU A 2 -7.005 -5.252 -27.485 1.00 0.00 C ATOM 143 C GLU A 2 -6.522 -6.283 -26.489 1.00 0.00 C ATOM 144 O GLU A 2 -5.807 -7.197 -26.838 1.00 0.00 O ATOM 145 CB GLU A 2 -8.455 -5.548 -27.835 1.00 0.00 C ATOM 146 CG GLU A 2 -9.229 -4.266 -28.167 1.00 0.00 C ATOM 147 CD GLU A 2 -9.514 -3.452 -26.904 1.00 0.00 C ATOM 148 OE1 GLU A 2 -10.212 -3.951 -26.049 1.00 0.00 O ATOM 149 OE2 GLU A 2 -9.049 -2.331 -26.831 1.00 0.00 O ATOM 0 H GLU A 2 -6.257 -6.363 -29.078 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.910 -4.246 -27.076 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.493 -6.227 -28.687 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.935 -6.057 -26.999 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.655 -3.663 -28.870 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -10.168 -4.521 -28.658 1.00 0.00 H new ATOM 156 N ALA A 3 -6.924 -6.156 -25.279 1.00 0.00 N ATOM 157 CA ALA A 3 -6.533 -7.148 -24.244 1.00 0.00 C ATOM 158 C ALA A 3 -7.620 -7.223 -23.182 1.00 0.00 C ATOM 159 O ALA A 3 -7.918 -6.263 -22.514 1.00 0.00 O ATOM 160 CB ALA A 3 -5.227 -6.758 -23.619 1.00 0.00 C ATOM 0 H ALA A 3 -7.518 -5.397 -24.944 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.414 -8.126 -24.710 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -4.952 -7.493 -22.862 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -4.454 -6.720 -24.386 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -5.325 -5.777 -23.153 1.00 0.00 H new ATOM 166 N ILE A 4 -8.231 -8.357 -23.050 1.00 0.00 N ATOM 167 CA ILE A 4 -9.347 -8.518 -22.067 1.00 0.00 C ATOM 168 C ILE A 4 -8.896 -8.253 -20.663 1.00 0.00 C ATOM 169 O ILE A 4 -8.062 -8.942 -20.142 1.00 0.00 O ATOM 170 CB ILE A 4 -9.907 -9.936 -22.135 1.00 0.00 C ATOM 171 CG1 ILE A 4 -11.076 -10.085 -21.141 1.00 0.00 C ATOM 172 CG2 ILE A 4 -8.836 -10.953 -21.805 1.00 0.00 C ATOM 173 CD1 ILE A 4 -12.223 -10.759 -21.836 1.00 0.00 C ATOM 0 H ILE A 4 -8.008 -9.196 -23.585 1.00 0.00 H new ATOM 0 HA ILE A 4 -10.114 -7.791 -22.333 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.261 -10.116 -23.150 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.763 -10.670 -20.276 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.382 -9.107 -20.770 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -9.258 -11.957 -21.860 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.017 -10.864 -22.519 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.460 -10.772 -20.798 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -13.055 -10.869 -21.141 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -12.538 -10.155 -22.687 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -11.909 -11.743 -22.185 1.00 0.00 H new ATOM 185 N ALA A 5 -9.513 -7.313 -20.031 1.00 0.00 N ATOM 186 CA ALA A 5 -9.182 -7.051 -18.597 1.00 0.00 C ATOM 187 C ALA A 5 -9.836 -8.170 -17.768 1.00 0.00 C ATOM 188 O ALA A 5 -11.005 -8.111 -17.442 1.00 0.00 O ATOM 189 CB ALA A 5 -9.743 -5.702 -18.148 1.00 0.00 C ATOM 0 H ALA A 5 -10.231 -6.710 -20.432 1.00 0.00 H new ATOM 0 HA ALA A 5 -8.101 -7.030 -18.462 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -9.490 -5.533 -17.101 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.313 -4.908 -18.758 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -10.827 -5.702 -18.264 1.00 0.00 H new ATOM 195 N LYS A 6 -9.096 -9.200 -17.464 1.00 0.00 N ATOM 196 CA LYS A 6 -9.658 -10.359 -16.694 1.00 0.00 C ATOM 197 C LYS A 6 -10.323 -9.898 -15.385 1.00 0.00 C ATOM 198 O LYS A 6 -11.208 -10.562 -14.874 1.00 0.00 O ATOM 199 CB LYS A 6 -8.531 -11.329 -16.332 1.00 0.00 C ATOM 200 CG LYS A 6 -7.821 -11.809 -17.591 1.00 0.00 C ATOM 201 CD LYS A 6 -6.453 -12.379 -17.211 1.00 0.00 C ATOM 202 CE LYS A 6 -6.628 -13.774 -16.608 1.00 0.00 C ATOM 203 NZ LYS A 6 -5.292 -14.415 -16.443 1.00 0.00 N ATOM 0 H LYS A 6 -8.112 -9.294 -17.717 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.405 -10.841 -17.325 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.818 -10.838 -15.669 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.937 -12.182 -15.788 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.419 -12.570 -18.092 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.702 -10.984 -18.293 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -5.812 -12.430 -18.091 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.960 -11.721 -16.495 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.132 -13.705 -15.644 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.259 -14.385 -17.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.410 -15.363 -16.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.828 -14.494 -17.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.705 -13.835 -15.810 1.00 0.00 H new ATOM 217 N TYR A 7 -9.889 -8.792 -14.820 1.00 0.00 N ATOM 218 CA TYR A 7 -10.493 -8.329 -13.517 1.00 0.00 C ATOM 219 C TYR A 7 -10.402 -6.826 -13.380 1.00 0.00 C ATOM 220 O TYR A 7 -9.962 -6.121 -14.268 1.00 0.00 O ATOM 221 CB TYR A 7 -9.744 -8.961 -12.337 1.00 0.00 C ATOM 222 CG TYR A 7 -9.605 -10.449 -12.536 1.00 0.00 C ATOM 223 CD1 TYR A 7 -8.507 -10.947 -13.229 1.00 0.00 C ATOM 224 CD2 TYR A 7 -10.568 -11.324 -12.020 1.00 0.00 C ATOM 225 CE1 TYR A 7 -8.359 -12.322 -13.417 1.00 0.00 C ATOM 226 CE2 TYR A 7 -10.423 -12.705 -12.205 1.00 0.00 C ATOM 227 CZ TYR A 7 -9.317 -13.205 -12.903 1.00 0.00 C ATOM 228 OH TYR A 7 -9.172 -14.564 -13.088 1.00 0.00 O ATOM 0 H TYR A 7 -9.153 -8.194 -15.196 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.540 -8.633 -13.513 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -8.758 -8.507 -12.240 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.280 -8.761 -11.409 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.766 -10.267 -13.623 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -11.420 -10.936 -11.481 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.506 -12.705 -13.958 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -11.164 -13.384 -11.809 1.00 0.00 H new ATOM 0 HH TYR A 7 -9.923 -15.033 -12.668 1.00 0.00 H new ATOM 238 N ASP A 8 -10.826 -6.340 -12.251 1.00 0.00 N ATOM 239 CA ASP A 8 -10.794 -4.891 -11.984 1.00 0.00 C ATOM 240 C ASP A 8 -9.361 -4.471 -11.665 1.00 0.00 C ATOM 241 O ASP A 8 -8.500 -5.293 -11.419 1.00 0.00 O ATOM 242 CB ASP A 8 -11.691 -4.606 -10.786 1.00 0.00 C ATOM 243 CG ASP A 8 -12.881 -3.736 -11.201 1.00 0.00 C ATOM 244 OD1 ASP A 8 -12.700 -2.537 -11.310 1.00 0.00 O ATOM 245 OD2 ASP A 8 -13.953 -4.285 -11.390 1.00 0.00 O ATOM 0 H ASP A 8 -11.201 -6.905 -11.489 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.144 -4.335 -12.853 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.049 -5.544 -10.361 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.118 -4.102 -10.007 1.00 0.00 H new ATOM 250 N PHE A 9 -9.108 -3.190 -11.674 1.00 0.00 N ATOM 251 CA PHE A 9 -7.747 -2.663 -11.387 1.00 0.00 C ATOM 252 C PHE A 9 -7.794 -1.133 -11.605 1.00 0.00 C ATOM 253 O PHE A 9 -8.739 -0.621 -12.178 1.00 0.00 O ATOM 254 CB PHE A 9 -6.747 -3.329 -12.357 1.00 0.00 C ATOM 255 CG PHE A 9 -5.423 -2.633 -12.325 1.00 0.00 C ATOM 256 CD1 PHE A 9 -4.450 -3.019 -11.406 1.00 0.00 C ATOM 257 CD2 PHE A 9 -5.178 -1.611 -13.225 1.00 0.00 C ATOM 258 CE1 PHE A 9 -3.212 -2.372 -11.389 1.00 0.00 C ATOM 259 CE2 PHE A 9 -3.942 -0.956 -13.219 1.00 0.00 C ATOM 260 CZ PHE A 9 -2.955 -1.338 -12.299 1.00 0.00 C ATOM 0 H PHE A 9 -9.805 -2.473 -11.873 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.431 -2.879 -10.366 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.617 -4.377 -12.088 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.149 -3.307 -13.370 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.652 -3.817 -10.708 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.941 -1.319 -13.932 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.456 -2.668 -10.677 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.748 -0.158 -13.921 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.999 -0.836 -12.292 1.00 0.00 H new ATOM 270 N LYS A 10 -6.795 -0.406 -11.158 1.00 0.00 N ATOM 271 CA LYS A 10 -6.813 1.081 -11.358 1.00 0.00 C ATOM 272 C LYS A 10 -5.410 1.596 -11.636 1.00 0.00 C ATOM 273 O LYS A 10 -4.421 0.946 -11.352 1.00 0.00 O ATOM 274 CB LYS A 10 -7.442 1.771 -10.119 1.00 0.00 C ATOM 275 CG LYS A 10 -6.416 1.934 -8.984 1.00 0.00 C ATOM 276 CD LYS A 10 -7.143 2.246 -7.671 1.00 0.00 C ATOM 277 CE LYS A 10 -6.344 3.277 -6.865 1.00 0.00 C ATOM 278 NZ LYS A 10 -7.006 4.608 -6.971 1.00 0.00 N ATOM 0 H LYS A 10 -5.978 -0.772 -10.669 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.427 1.321 -12.226 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.830 2.749 -10.404 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.289 1.183 -9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.829 1.022 -8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.718 2.736 -9.224 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.142 2.630 -7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.268 1.333 -7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.283 2.971 -5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.322 3.336 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.466 5.309 -6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.042 4.899 -7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.973 4.546 -6.593 1.00 0.00 H new ATOM 292 N ALA A 11 -5.330 2.769 -12.195 1.00 0.00 N ATOM 293 CA ALA A 11 -4.015 3.349 -12.515 1.00 0.00 C ATOM 294 C ALA A 11 -3.289 3.678 -11.209 1.00 0.00 C ATOM 295 O ALA A 11 -3.870 4.240 -10.296 1.00 0.00 O ATOM 296 CB ALA A 11 -4.191 4.620 -13.342 1.00 0.00 C ATOM 0 H ALA A 11 -6.131 3.350 -12.443 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.431 2.634 -13.094 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.213 5.042 -13.574 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.712 4.382 -14.269 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.774 5.346 -12.774 1.00 0.00 H new ATOM 302 N THR A 12 -2.032 3.332 -11.104 1.00 0.00 N ATOM 303 CA THR A 12 -1.275 3.624 -9.846 1.00 0.00 C ATOM 304 C THR A 12 -0.069 4.508 -10.169 1.00 0.00 C ATOM 305 O THR A 12 1.030 4.278 -9.698 1.00 0.00 O ATOM 306 CB THR A 12 -0.802 2.311 -9.214 1.00 0.00 C ATOM 307 OG1 THR A 12 -0.061 1.565 -10.169 1.00 0.00 O ATOM 308 CG2 THR A 12 -2.016 1.499 -8.758 1.00 0.00 C ATOM 0 H THR A 12 -1.496 2.861 -11.833 1.00 0.00 H new ATOM 0 HA THR A 12 -1.925 4.145 -9.143 1.00 0.00 H new ATOM 0 HB THR A 12 -0.168 2.528 -8.354 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.435 2.179 -10.750 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.681 0.565 -8.308 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.582 2.072 -8.024 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.651 1.281 -9.617 1.00 0.00 H new ATOM 316 N ALA A 13 -0.272 5.521 -10.973 1.00 0.00 N ATOM 317 CA ALA A 13 0.849 6.437 -11.343 1.00 0.00 C ATOM 318 C ALA A 13 0.348 7.474 -12.309 1.00 0.00 C ATOM 319 O ALA A 13 -0.809 7.488 -12.693 1.00 0.00 O ATOM 320 CB ALA A 13 1.980 5.647 -12.008 1.00 0.00 C ATOM 0 H ALA A 13 -1.172 5.754 -11.392 1.00 0.00 H new ATOM 0 HA ALA A 13 1.225 6.916 -10.439 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.791 6.326 -12.273 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.351 4.891 -11.316 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.604 5.162 -12.909 1.00 0.00 H new ATOM 326 N ASP A 14 1.216 8.345 -12.704 1.00 0.00 N ATOM 327 CA ASP A 14 0.842 9.408 -13.649 1.00 0.00 C ATOM 328 C ASP A 14 0.909 8.885 -15.096 1.00 0.00 C ATOM 329 O ASP A 14 0.703 9.628 -16.039 1.00 0.00 O ATOM 330 CB ASP A 14 1.813 10.544 -13.452 1.00 0.00 C ATOM 331 CG ASP A 14 1.194 11.851 -13.953 1.00 0.00 C ATOM 332 OD1 ASP A 14 0.355 12.393 -13.253 1.00 0.00 O ATOM 333 OD2 ASP A 14 1.572 12.289 -15.028 1.00 0.00 O ATOM 0 H ASP A 14 2.191 8.363 -12.404 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.180 9.743 -13.469 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.071 10.635 -12.397 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.739 10.340 -13.990 1.00 0.00 H new ATOM 338 N ASP A 15 1.183 7.607 -15.276 1.00 0.00 N ATOM 339 CA ASP A 15 1.249 7.036 -16.617 1.00 0.00 C ATOM 340 C ASP A 15 0.683 5.612 -16.587 1.00 0.00 C ATOM 341 O ASP A 15 1.048 4.777 -17.393 1.00 0.00 O ATOM 342 CB ASP A 15 2.701 7.005 -17.082 1.00 0.00 C ATOM 343 CG ASP A 15 3.005 8.259 -17.905 1.00 0.00 C ATOM 344 OD1 ASP A 15 2.410 8.410 -18.959 1.00 0.00 O ATOM 345 OD2 ASP A 15 3.826 9.047 -17.466 1.00 0.00 O ATOM 0 H ASP A 15 1.363 6.945 -14.521 1.00 0.00 H new ATOM 0 HA ASP A 15 0.664 7.644 -17.307 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.368 6.953 -16.221 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.882 6.112 -17.681 1.00 0.00 H new ATOM 350 N GLU A 16 -0.210 5.330 -15.657 1.00 0.00 N ATOM 351 CA GLU A 16 -0.798 3.969 -15.574 1.00 0.00 C ATOM 352 C GLU A 16 -2.239 4.024 -16.080 1.00 0.00 C ATOM 353 O GLU A 16 -2.759 5.091 -16.363 1.00 0.00 O ATOM 354 CB GLU A 16 -0.755 3.493 -14.123 1.00 0.00 C ATOM 355 CG GLU A 16 -0.875 1.966 -14.083 1.00 0.00 C ATOM 356 CD GLU A 16 0.042 1.375 -12.990 1.00 0.00 C ATOM 357 OE1 GLU A 16 0.834 2.115 -12.423 1.00 0.00 O ATOM 358 OE2 GLU A 16 -0.065 0.186 -12.743 1.00 0.00 O ATOM 0 H GLU A 16 -0.549 5.991 -14.958 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.232 3.269 -16.188 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.177 3.808 -13.653 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.567 3.947 -13.556 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.909 1.682 -13.889 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.607 1.550 -15.054 1.00 0.00 H new ATOM 365 N LEU A 17 -2.883 2.890 -16.229 1.00 0.00 N ATOM 366 CA LEU A 17 -4.283 2.895 -16.756 1.00 0.00 C ATOM 367 C LEU A 17 -5.258 2.282 -15.749 1.00 0.00 C ATOM 368 O LEU A 17 -4.910 1.422 -14.966 1.00 0.00 O ATOM 369 CB LEU A 17 -4.323 2.104 -18.076 1.00 0.00 C ATOM 370 CG LEU A 17 -5.740 2.120 -18.670 1.00 0.00 C ATOM 371 CD1 LEU A 17 -6.133 3.554 -19.066 1.00 0.00 C ATOM 372 CD2 LEU A 17 -5.780 1.209 -19.912 1.00 0.00 C ATOM 0 H LEU A 17 -2.503 1.969 -16.010 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.589 3.927 -16.928 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.619 2.536 -18.787 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.008 1.076 -17.900 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.446 1.756 -17.924 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.139 3.553 -19.486 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.108 4.195 -18.184 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.430 3.932 -19.809 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.784 1.217 -20.337 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.069 1.573 -20.654 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.516 0.191 -19.625 1.00 0.00 H new ATOM 384 N SER A 18 -6.488 2.741 -15.776 1.00 0.00 N ATOM 385 CA SER A 18 -7.514 2.227 -14.850 1.00 0.00 C ATOM 386 C SER A 18 -8.594 1.484 -15.642 1.00 0.00 C ATOM 387 O SER A 18 -9.024 1.939 -16.688 1.00 0.00 O ATOM 388 CB SER A 18 -8.142 3.395 -14.139 1.00 0.00 C ATOM 389 OG SER A 18 -7.180 4.424 -13.952 1.00 0.00 O ATOM 0 H SER A 18 -6.817 3.463 -16.417 1.00 0.00 H new ATOM 0 HA SER A 18 -7.059 1.544 -14.132 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.984 3.774 -14.718 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.537 3.075 -13.175 1.00 0.00 H new ATOM 0 HG SER A 18 -7.597 5.181 -13.490 1.00 0.00 H new ATOM 395 N PHE A 19 -9.046 0.356 -15.150 1.00 0.00 N ATOM 396 CA PHE A 19 -10.111 -0.401 -15.872 1.00 0.00 C ATOM 397 C PHE A 19 -10.809 -1.365 -14.907 1.00 0.00 C ATOM 398 O PHE A 19 -10.362 -1.580 -13.797 1.00 0.00 O ATOM 399 CB PHE A 19 -9.502 -1.174 -17.046 1.00 0.00 C ATOM 400 CG PHE A 19 -8.442 -2.127 -16.555 1.00 0.00 C ATOM 401 CD1 PHE A 19 -8.815 -3.356 -16.002 1.00 0.00 C ATOM 402 CD2 PHE A 19 -7.088 -1.789 -16.665 1.00 0.00 C ATOM 403 CE1 PHE A 19 -7.832 -4.248 -15.557 1.00 0.00 C ATOM 404 CE2 PHE A 19 -6.106 -2.679 -16.219 1.00 0.00 C ATOM 405 CZ PHE A 19 -6.477 -3.910 -15.666 1.00 0.00 C ATOM 0 H PHE A 19 -8.723 -0.071 -14.282 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.847 0.303 -16.262 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.282 -1.726 -17.570 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.069 -0.477 -17.763 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.860 -3.617 -15.918 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.802 -0.840 -17.095 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.119 -5.197 -15.129 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.062 -2.417 -16.301 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.719 -4.599 -15.324 1.00 0.00 H new ATOM 415 N LYS A 20 -11.917 -1.925 -15.321 1.00 0.00 N ATOM 416 CA LYS A 20 -12.674 -2.855 -14.439 1.00 0.00 C ATOM 417 C LYS A 20 -12.666 -4.264 -15.016 1.00 0.00 C ATOM 418 O LYS A 20 -12.081 -4.529 -16.049 1.00 0.00 O ATOM 419 CB LYS A 20 -14.124 -2.375 -14.342 1.00 0.00 C ATOM 420 CG LYS A 20 -14.158 -0.893 -13.943 1.00 0.00 C ATOM 421 CD LYS A 20 -14.765 -0.739 -12.544 1.00 0.00 C ATOM 422 CE LYS A 20 -15.482 0.609 -12.445 1.00 0.00 C ATOM 423 NZ LYS A 20 -14.509 1.659 -12.029 1.00 0.00 N ATOM 0 H LYS A 20 -12.331 -1.774 -16.241 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.204 -2.869 -13.455 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.627 -2.515 -15.299 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.665 -2.971 -13.607 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.149 -0.481 -13.958 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.744 -0.327 -14.667 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.466 -1.551 -12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.983 -0.804 -11.787 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -15.925 0.869 -13.406 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.297 0.547 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.995 2.576 -11.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.106 1.412 -11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.746 1.723 -12.732 1.00 0.00 H new ATOM 437 N ARG A 21 -13.325 -5.166 -14.344 1.00 0.00 N ATOM 438 CA ARG A 21 -13.398 -6.570 -14.810 1.00 0.00 C ATOM 439 C ARG A 21 -14.303 -6.650 -16.037 1.00 0.00 C ATOM 440 O ARG A 21 -15.515 -6.624 -15.927 1.00 0.00 O ATOM 441 CB ARG A 21 -13.988 -7.405 -13.694 1.00 0.00 C ATOM 442 CG ARG A 21 -13.906 -8.885 -14.041 1.00 0.00 C ATOM 443 CD ARG A 21 -13.779 -9.680 -12.745 1.00 0.00 C ATOM 444 NE ARG A 21 -14.507 -10.973 -12.876 1.00 0.00 N ATOM 445 CZ ARG A 21 -13.922 -12.089 -12.534 1.00 0.00 C ATOM 446 NH1 ARG A 21 -13.695 -12.347 -11.274 1.00 0.00 N ATOM 447 NH2 ARG A 21 -13.565 -12.946 -13.450 1.00 0.00 N ATOM 0 H ARG A 21 -13.825 -4.981 -13.474 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.406 -6.936 -15.074 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.452 -7.212 -12.764 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.027 -7.120 -13.528 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.795 -9.195 -14.590 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.049 -9.076 -14.688 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.728 -9.864 -12.522 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.186 -9.105 -11.913 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.462 -10.986 -13.233 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.975 -11.677 -10.558 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.238 -13.219 -11.006 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.743 -12.744 -14.434 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.108 -13.818 -13.182 1.00 0.00 H new ATOM 461 N GLY A 22 -13.724 -6.740 -17.203 1.00 0.00 N ATOM 462 CA GLY A 22 -14.542 -6.811 -18.450 1.00 0.00 C ATOM 463 C GLY A 22 -14.252 -5.593 -19.343 1.00 0.00 C ATOM 464 O GLY A 22 -14.823 -5.454 -20.409 1.00 0.00 O ATOM 0 H GLY A 22 -12.715 -6.768 -17.348 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.316 -7.730 -18.991 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.602 -6.842 -18.198 1.00 0.00 H new ATOM 468 N ASP A 23 -13.360 -4.713 -18.922 1.00 0.00 N ATOM 469 CA ASP A 23 -13.033 -3.544 -19.726 1.00 0.00 C ATOM 470 C ASP A 23 -11.790 -3.862 -20.529 1.00 0.00 C ATOM 471 O ASP A 23 -10.675 -3.716 -20.055 1.00 0.00 O ATOM 472 CB ASP A 23 -12.767 -2.348 -18.811 1.00 0.00 C ATOM 473 CG ASP A 23 -13.609 -1.149 -19.259 1.00 0.00 C ATOM 474 OD1 ASP A 23 -13.832 -1.018 -20.451 1.00 0.00 O ATOM 475 OD2 ASP A 23 -14.016 -0.382 -18.401 1.00 0.00 O ATOM 0 H ASP A 23 -12.854 -4.782 -18.039 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.860 -3.296 -20.391 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.008 -2.607 -17.780 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.708 -2.089 -18.835 1.00 0.00 H new ATOM 480 N ILE A 24 -11.969 -4.307 -21.726 1.00 0.00 N ATOM 481 CA ILE A 24 -10.803 -4.660 -22.574 1.00 0.00 C ATOM 482 C ILE A 24 -10.056 -3.375 -22.944 1.00 0.00 C ATOM 483 O ILE A 24 -10.644 -2.387 -23.337 1.00 0.00 O ATOM 484 CB ILE A 24 -11.270 -5.429 -23.823 1.00 0.00 C ATOM 485 CG1 ILE A 24 -12.325 -6.497 -23.399 1.00 0.00 C ATOM 486 CG2 ILE A 24 -10.049 -6.111 -24.450 1.00 0.00 C ATOM 487 CD1 ILE A 24 -12.565 -7.518 -24.518 1.00 0.00 C ATOM 0 H ILE A 24 -12.880 -4.445 -22.164 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.122 -5.314 -22.029 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.725 -4.753 -24.547 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.984 -7.012 -22.501 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -13.264 -6.004 -23.146 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.357 -6.663 -25.338 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.314 -5.356 -24.728 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.607 -6.800 -23.730 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.305 -8.249 -24.191 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.930 -7.004 -25.407 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.630 -8.028 -24.752 1.00 0.00 H new ATOM 499 N LEU A 25 -8.760 -3.384 -22.774 1.00 0.00 N ATOM 500 CA LEU A 25 -7.936 -2.169 -23.058 1.00 0.00 C ATOM 501 C LEU A 25 -7.479 -2.156 -24.511 1.00 0.00 C ATOM 502 O LEU A 25 -7.426 -3.181 -25.166 1.00 0.00 O ATOM 503 CB LEU A 25 -6.680 -2.159 -22.148 1.00 0.00 C ATOM 504 CG LEU A 25 -7.029 -2.389 -20.641 1.00 0.00 C ATOM 505 CD1 LEU A 25 -8.315 -1.660 -20.250 1.00 0.00 C ATOM 506 CD2 LEU A 25 -7.188 -3.889 -20.354 1.00 0.00 C ATOM 0 H LEU A 25 -8.230 -4.191 -22.446 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.551 -1.291 -22.863 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.989 -2.934 -22.480 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.165 -1.205 -22.256 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.208 -1.987 -20.048 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.530 -1.840 -19.197 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.192 -0.590 -20.417 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.142 -2.029 -20.857 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.431 -4.034 -19.301 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.990 -4.294 -20.971 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.256 -4.405 -20.586 1.00 0.00 H new ATOM 518 N LYS A 26 -7.126 -0.991 -25.012 1.00 0.00 N ATOM 519 CA LYS A 26 -6.646 -0.896 -26.436 1.00 0.00 C ATOM 520 C LYS A 26 -5.124 -0.769 -26.440 1.00 0.00 C ATOM 521 O LYS A 26 -4.588 0.307 -26.326 1.00 0.00 O ATOM 522 CB LYS A 26 -7.266 0.332 -27.108 1.00 0.00 C ATOM 523 CG LYS A 26 -7.497 0.038 -28.592 1.00 0.00 C ATOM 524 CD LYS A 26 -6.280 0.500 -29.398 1.00 0.00 C ATOM 525 CE LYS A 26 -6.317 2.021 -29.551 1.00 0.00 C ATOM 526 NZ LYS A 26 -7.521 2.412 -30.337 1.00 0.00 N ATOM 0 H LYS A 26 -7.149 -0.108 -24.502 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.943 -1.790 -26.984 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.210 0.587 -26.625 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.608 1.193 -26.995 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.662 -1.029 -28.741 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.394 0.551 -28.940 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.361 0.197 -28.896 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.279 0.025 -30.379 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.340 2.495 -28.570 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.414 2.369 -30.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.327 3.294 -30.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.753 1.658 -31.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.324 2.558 -29.692 1.00 0.00 H new ATOM 540 N VAL A 27 -4.425 -1.872 -26.556 1.00 0.00 N ATOM 541 CA VAL A 27 -2.923 -1.825 -26.538 1.00 0.00 C ATOM 542 C VAL A 27 -2.396 -0.876 -27.622 1.00 0.00 C ATOM 543 O VAL A 27 -2.394 -1.192 -28.797 1.00 0.00 O ATOM 544 CB VAL A 27 -2.356 -3.241 -26.746 1.00 0.00 C ATOM 545 CG1 VAL A 27 -0.820 -3.200 -26.689 1.00 0.00 C ATOM 546 CG2 VAL A 27 -2.873 -4.161 -25.633 1.00 0.00 C ATOM 0 H VAL A 27 -4.826 -2.804 -26.662 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.597 -1.448 -25.569 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.674 -3.617 -27.719 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.423 -4.205 -26.837 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.444 -2.543 -27.473 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.502 -2.824 -25.717 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.474 -5.165 -25.776 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.551 -3.777 -24.665 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.962 -4.195 -25.666 1.00 0.00 H new ATOM 556 N LEU A 28 -1.928 0.282 -27.217 1.00 0.00 N ATOM 557 CA LEU A 28 -1.374 1.259 -28.190 1.00 0.00 C ATOM 558 C LEU A 28 0.103 0.958 -28.379 1.00 0.00 C ATOM 559 O LEU A 28 0.669 1.252 -29.419 1.00 0.00 O ATOM 560 CB LEU A 28 -1.486 2.727 -27.679 1.00 0.00 C ATOM 561 CG LEU A 28 -2.693 2.932 -26.736 1.00 0.00 C ATOM 562 CD1 LEU A 28 -2.188 3.274 -25.318 1.00 0.00 C ATOM 563 CD2 LEU A 28 -3.569 4.086 -27.263 1.00 0.00 C ATOM 0 H LEU A 28 -1.909 0.588 -26.244 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.943 1.166 -29.115 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.569 2.997 -27.155 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.576 3.400 -28.532 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.283 2.016 -26.699 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.040 3.418 -24.653 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.571 2.457 -24.945 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.596 4.189 -25.353 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.420 4.230 -26.597 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.979 5.002 -27.302 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.928 3.843 -28.263 1.00 0.00 H new ATOM 575 N ASN A 29 0.754 0.398 -27.370 1.00 0.00 N ATOM 576 CA ASN A 29 2.217 0.128 -27.528 1.00 0.00 C ATOM 577 C ASN A 29 2.694 -1.028 -26.646 1.00 0.00 C ATOM 578 O ASN A 29 2.129 -1.336 -25.609 1.00 0.00 O ATOM 579 CB ASN A 29 3.004 1.388 -27.164 1.00 0.00 C ATOM 580 CG ASN A 29 4.248 1.488 -28.049 1.00 0.00 C ATOM 581 OD1 ASN A 29 4.148 1.485 -29.260 1.00 0.00 O ATOM 582 ND2 ASN A 29 5.424 1.575 -27.493 1.00 0.00 N ATOM 0 H ASN A 29 0.344 0.127 -26.476 1.00 0.00 H new ATOM 0 HA ASN A 29 2.388 -0.153 -28.567 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.379 2.271 -27.297 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.294 1.358 -26.114 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.259 1.641 -28.074 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.509 1.578 -26.477 1.00 0.00 H new ATOM 589 N GLU A 30 3.767 -1.649 -27.068 1.00 0.00 N ATOM 590 CA GLU A 30 4.369 -2.776 -26.309 1.00 0.00 C ATOM 591 C GLU A 30 5.574 -2.242 -25.542 1.00 0.00 C ATOM 592 O GLU A 30 5.677 -1.060 -25.289 1.00 0.00 O ATOM 593 CB GLU A 30 4.809 -3.869 -27.302 1.00 0.00 C ATOM 594 CG GLU A 30 3.638 -4.232 -28.222 1.00 0.00 C ATOM 595 CD GLU A 30 4.145 -5.095 -29.379 1.00 0.00 C ATOM 596 OE1 GLU A 30 5.173 -4.753 -29.940 1.00 0.00 O ATOM 597 OE2 GLU A 30 3.498 -6.082 -29.684 1.00 0.00 O ATOM 0 H GLU A 30 4.259 -1.412 -27.929 1.00 0.00 H new ATOM 0 HA GLU A 30 3.650 -3.204 -25.610 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.654 -3.517 -27.894 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.146 -4.753 -26.760 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.874 -4.770 -27.661 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.171 -3.326 -28.608 1.00 0.00 H new ATOM 604 N GLU A 31 6.472 -3.107 -25.160 1.00 0.00 N ATOM 605 CA GLU A 31 7.698 -2.680 -24.386 1.00 0.00 C ATOM 606 C GLU A 31 7.303 -2.383 -22.956 1.00 0.00 C ATOM 607 O GLU A 31 6.240 -2.762 -22.509 1.00 0.00 O ATOM 608 CB GLU A 31 8.364 -1.437 -25.026 1.00 0.00 C ATOM 609 CG GLU A 31 8.523 -1.654 -26.535 1.00 0.00 C ATOM 610 CD GLU A 31 8.825 -0.317 -27.213 1.00 0.00 C ATOM 611 OE1 GLU A 31 7.969 0.549 -27.177 1.00 0.00 O ATOM 612 OE2 GLU A 31 9.910 -0.183 -27.757 1.00 0.00 O ATOM 0 H GLU A 31 6.418 -4.108 -25.348 1.00 0.00 H new ATOM 0 HA GLU A 31 8.425 -3.492 -24.408 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.758 -0.551 -24.838 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.338 -1.259 -24.570 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.329 -2.362 -26.729 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.612 -2.086 -26.949 1.00 0.00 H new ATOM 619 N CYS A 32 8.169 -1.734 -22.224 1.00 0.00 N ATOM 620 CA CYS A 32 7.882 -1.419 -20.777 1.00 0.00 C ATOM 621 C CYS A 32 8.047 -2.696 -19.980 1.00 0.00 C ATOM 622 O CYS A 32 8.670 -3.635 -20.437 1.00 0.00 O ATOM 623 CB CYS A 32 6.446 -0.851 -20.591 1.00 0.00 C ATOM 624 SG CYS A 32 6.103 0.406 -21.855 1.00 0.00 S ATOM 0 H CYS A 32 9.073 -1.402 -22.562 1.00 0.00 H new ATOM 0 HA CYS A 32 8.576 -0.655 -20.428 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.716 -1.657 -20.661 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.345 -0.415 -19.597 1.00 0.00 H new ATOM 0 HG CYS A 32 4.818 0.564 -21.973 1.00 0.00 H new ATOM 630 N ASP A 33 7.514 -2.729 -18.784 1.00 0.00 N ATOM 631 CA ASP A 33 7.623 -3.934 -17.894 1.00 0.00 C ATOM 632 C ASP A 33 7.479 -5.225 -18.669 1.00 0.00 C ATOM 633 O ASP A 33 6.927 -5.254 -19.758 1.00 0.00 O ATOM 634 CB ASP A 33 6.526 -3.879 -16.836 1.00 0.00 C ATOM 635 CG ASP A 33 7.005 -4.577 -15.561 1.00 0.00 C ATOM 636 OD1 ASP A 33 7.593 -3.907 -14.729 1.00 0.00 O ATOM 637 OD2 ASP A 33 6.774 -5.768 -15.439 1.00 0.00 O ATOM 0 H ASP A 33 6.994 -1.953 -18.374 1.00 0.00 H new ATOM 0 HA ASP A 33 8.612 -3.917 -17.436 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.267 -2.842 -16.620 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.623 -4.362 -17.209 1.00 0.00 H new ATOM 642 N GLN A 34 7.979 -6.295 -18.119 1.00 0.00 N ATOM 643 CA GLN A 34 7.885 -7.582 -18.823 1.00 0.00 C ATOM 644 C GLN A 34 6.572 -8.295 -18.472 1.00 0.00 C ATOM 645 O GLN A 34 6.415 -9.476 -18.730 1.00 0.00 O ATOM 646 CB GLN A 34 9.072 -8.470 -18.446 1.00 0.00 C ATOM 647 CG GLN A 34 9.186 -9.617 -19.450 1.00 0.00 C ATOM 648 CD GLN A 34 10.634 -10.101 -19.511 1.00 0.00 C ATOM 649 OE1 GLN A 34 11.555 -9.308 -19.513 1.00 0.00 O ATOM 650 NE2 GLN A 34 10.878 -11.382 -19.561 1.00 0.00 N ATOM 0 H GLN A 34 8.446 -6.324 -17.213 1.00 0.00 H new ATOM 0 HA GLN A 34 7.902 -7.391 -19.896 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.991 -7.884 -18.440 1.00 0.00 H new ATOM 0 HB3 GLN A 34 8.939 -8.865 -17.439 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.530 -10.437 -19.157 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.861 -9.285 -20.436 1.00 0.00 H new ATOM 0 HE21 GLN A 34 10.106 -12.049 -19.559 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.841 -11.717 -19.602 1.00 0.00 H new ATOM 659 N ASN A 35 5.628 -7.592 -17.889 1.00 0.00 N ATOM 660 CA ASN A 35 4.334 -8.234 -17.528 1.00 0.00 C ATOM 661 C ASN A 35 3.162 -7.257 -17.652 1.00 0.00 C ATOM 662 O ASN A 35 2.076 -7.573 -17.251 1.00 0.00 O ATOM 663 CB ASN A 35 4.407 -8.740 -16.103 1.00 0.00 C ATOM 664 CG ASN A 35 5.002 -10.147 -16.086 1.00 0.00 C ATOM 665 OD1 ASN A 35 4.874 -10.886 -17.043 1.00 0.00 O ATOM 666 ND2 ASN A 35 5.655 -10.554 -15.032 1.00 0.00 N ATOM 0 H ASN A 35 5.703 -6.603 -17.650 1.00 0.00 H new ATOM 0 HA ASN A 35 4.164 -9.058 -18.221 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.018 -8.069 -15.499 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.412 -8.750 -15.659 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.057 -11.491 -15.012 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.763 -9.935 -14.229 1.00 0.00 H new ATOM 673 N TRP A 36 3.371 -6.092 -18.214 1.00 0.00 N ATOM 674 CA TRP A 36 2.240 -5.106 -18.379 1.00 0.00 C ATOM 675 C TRP A 36 2.176 -4.677 -19.858 1.00 0.00 C ATOM 676 O TRP A 36 2.979 -5.098 -20.670 1.00 0.00 O ATOM 677 CB TRP A 36 2.446 -3.854 -17.480 1.00 0.00 C ATOM 678 CG TRP A 36 2.695 -4.237 -16.030 1.00 0.00 C ATOM 679 CD1 TRP A 36 3.677 -5.070 -15.593 1.00 0.00 C ATOM 680 CD2 TRP A 36 1.990 -3.781 -14.812 1.00 0.00 C ATOM 681 NE1 TRP A 36 3.611 -5.157 -14.213 1.00 0.00 N ATOM 682 CE2 TRP A 36 2.606 -4.385 -13.689 1.00 0.00 C ATOM 683 CE3 TRP A 36 0.891 -2.918 -14.568 1.00 0.00 C ATOM 684 CZ2 TRP A 36 2.169 -4.144 -12.385 1.00 0.00 C ATOM 685 CZ3 TRP A 36 0.456 -2.680 -13.245 1.00 0.00 C ATOM 686 CH2 TRP A 36 1.098 -3.287 -12.163 1.00 0.00 C ATOM 0 H TRP A 36 4.273 -5.775 -18.568 1.00 0.00 H new ATOM 0 HA TRP A 36 1.308 -5.583 -18.077 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.290 -3.273 -17.853 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.566 -3.213 -17.541 1.00 0.00 H new ATOM 0 HD1 TRP A 36 4.392 -5.581 -16.221 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.239 -5.730 -13.650 1.00 0.00 H new ATOM 0 HE3 TRP A 36 0.386 -2.442 -15.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 2.662 -4.622 -11.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.382 -2.022 -13.068 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.762 -3.090 -11.155 1.00 0.00 H new ATOM 697 N TYR A 37 1.223 -3.850 -20.208 1.00 0.00 N ATOM 698 CA TYR A 37 1.083 -3.387 -21.629 1.00 0.00 C ATOM 699 C TYR A 37 0.682 -1.920 -21.646 1.00 0.00 C ATOM 700 O TYR A 37 0.022 -1.450 -20.746 1.00 0.00 O ATOM 701 CB TYR A 37 -0.071 -4.119 -22.326 1.00 0.00 C ATOM 702 CG TYR A 37 0.185 -5.591 -22.483 1.00 0.00 C ATOM 703 CD1 TYR A 37 1.418 -6.062 -22.940 1.00 0.00 C ATOM 704 CD2 TYR A 37 -0.852 -6.487 -22.205 1.00 0.00 C ATOM 705 CE1 TYR A 37 1.615 -7.438 -23.113 1.00 0.00 C ATOM 706 CE2 TYR A 37 -0.666 -7.854 -22.380 1.00 0.00 C ATOM 707 CZ TYR A 37 0.570 -8.337 -22.835 1.00 0.00 C ATOM 708 OH TYR A 37 0.757 -9.696 -23.019 1.00 0.00 O ATOM 0 H TYR A 37 0.528 -3.470 -19.566 1.00 0.00 H new ATOM 0 HA TYR A 37 2.036 -3.572 -22.126 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.987 -3.973 -21.753 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.236 -3.676 -23.308 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.216 -5.368 -23.159 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.803 -6.115 -21.852 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.569 -7.808 -23.460 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.471 -8.542 -22.166 1.00 0.00 H new ATOM 0 HH TYR A 37 1.714 -9.885 -23.111 1.00 0.00 H new ATOM 718 N LYS A 38 0.993 -1.214 -22.701 1.00 0.00 N ATOM 719 CA LYS A 38 0.535 0.190 -22.798 1.00 0.00 C ATOM 720 C LYS A 38 -0.778 0.143 -23.575 1.00 0.00 C ATOM 721 O LYS A 38 -0.843 -0.470 -24.624 1.00 0.00 O ATOM 722 CB LYS A 38 1.558 1.039 -23.546 1.00 0.00 C ATOM 723 CG LYS A 38 1.248 2.519 -23.315 1.00 0.00 C ATOM 724 CD LYS A 38 1.396 3.295 -24.631 1.00 0.00 C ATOM 725 CE LYS A 38 2.356 4.466 -24.423 1.00 0.00 C ATOM 726 NZ LYS A 38 2.281 5.386 -25.594 1.00 0.00 N ATOM 0 H LYS A 38 1.541 -1.552 -23.492 1.00 0.00 H new ATOM 0 HA LYS A 38 0.408 0.637 -21.812 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.565 0.807 -23.198 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.528 0.811 -24.611 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.235 2.631 -22.928 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.923 2.928 -22.563 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.772 2.637 -25.414 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.424 3.661 -24.962 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.100 5.002 -23.509 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.375 4.098 -24.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.934 6.183 -25.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.546 4.871 -26.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.310 5.747 -25.690 1.00 0.00 H new ATOM 740 N ALA A 39 -1.836 0.727 -23.060 1.00 0.00 N ATOM 741 CA ALA A 39 -3.149 0.639 -23.782 1.00 0.00 C ATOM 742 C ALA A 39 -4.057 1.761 -23.425 1.00 0.00 C ATOM 743 O ALA A 39 -3.666 2.707 -22.775 1.00 0.00 O ATOM 744 CB ALA A 39 -3.792 -0.687 -23.447 1.00 0.00 C ATOM 0 H ALA A 39 -1.850 1.252 -22.186 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.965 0.712 -24.854 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.748 -0.768 -23.964 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.138 -1.499 -23.764 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.954 -0.751 -22.371 1.00 0.00 H new ATOM 750 N GLU A 40 -5.267 1.708 -23.919 1.00 0.00 N ATOM 751 CA GLU A 40 -6.176 2.829 -23.680 1.00 0.00 C ATOM 752 C GLU A 40 -7.656 2.436 -23.752 1.00 0.00 C ATOM 753 O GLU A 40 -8.114 1.763 -24.652 1.00 0.00 O ATOM 754 CB GLU A 40 -5.796 3.918 -24.708 1.00 0.00 C ATOM 755 CG GLU A 40 -6.925 4.227 -25.722 1.00 0.00 C ATOM 756 CD GLU A 40 -6.530 5.430 -26.582 1.00 0.00 C ATOM 757 OE1 GLU A 40 -6.298 6.486 -26.016 1.00 0.00 O ATOM 758 OE2 GLU A 40 -6.471 5.276 -27.791 1.00 0.00 O ATOM 0 H GLU A 40 -5.647 0.938 -24.470 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.062 3.199 -22.661 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.534 4.833 -24.177 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.907 3.600 -25.252 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.106 3.359 -26.355 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.855 4.435 -25.193 1.00 0.00 H new ATOM 765 N LEU A 41 -8.382 2.928 -22.813 1.00 0.00 N ATOM 766 CA LEU A 41 -9.857 2.687 -22.760 1.00 0.00 C ATOM 767 C LEU A 41 -10.619 3.861 -23.265 1.00 0.00 C ATOM 768 O LEU A 41 -10.941 4.788 -22.552 1.00 0.00 O ATOM 769 CB LEU A 41 -10.318 2.361 -21.355 1.00 0.00 C ATOM 770 CG LEU A 41 -10.255 0.878 -21.176 1.00 0.00 C ATOM 771 CD1 LEU A 41 -10.247 0.550 -19.683 1.00 0.00 C ATOM 772 CD2 LEU A 41 -11.483 0.259 -21.844 1.00 0.00 C ATOM 0 H LEU A 41 -8.020 3.504 -22.053 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.055 1.831 -23.405 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.685 2.860 -20.622 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -11.335 2.721 -21.195 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.349 0.476 -21.629 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.201 -0.531 -19.548 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.378 1.011 -19.214 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -11.156 0.935 -19.221 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.455 -0.824 -21.724 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -12.387 0.652 -21.379 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.483 0.507 -22.905 1.00 0.00 H new ATOM 784 N ASN A 42 -10.960 3.776 -24.492 1.00 0.00 N ATOM 785 CA ASN A 42 -11.780 4.825 -25.161 1.00 0.00 C ATOM 786 C ASN A 42 -11.382 6.278 -24.782 1.00 0.00 C ATOM 787 O ASN A 42 -12.190 7.185 -24.899 1.00 0.00 O ATOM 788 CB ASN A 42 -13.217 4.612 -24.750 1.00 0.00 C ATOM 789 CG ASN A 42 -13.910 3.670 -25.739 1.00 0.00 C ATOM 790 OD1 ASN A 42 -13.911 2.470 -25.553 1.00 0.00 O ATOM 791 ND2 ASN A 42 -14.501 4.168 -26.790 1.00 0.00 N ATOM 0 H ASN A 42 -10.702 2.997 -25.098 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.618 4.725 -26.234 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.258 4.192 -23.745 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.740 5.568 -24.718 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.964 3.549 -27.456 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.500 5.176 -26.946 1.00 0.00 H new ATOM 798 N GLY A 43 -10.182 6.509 -24.336 1.00 0.00 N ATOM 799 CA GLY A 43 -9.779 7.906 -23.956 1.00 0.00 C ATOM 800 C GLY A 43 -8.675 7.865 -22.903 1.00 0.00 C ATOM 801 O GLY A 43 -7.731 8.635 -22.955 1.00 0.00 O ATOM 0 H GLY A 43 -9.459 5.800 -24.215 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.432 8.445 -24.837 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.641 8.449 -23.569 1.00 0.00 H new ATOM 805 N LYS A 44 -8.765 6.953 -21.960 1.00 0.00 N ATOM 806 CA LYS A 44 -7.727 6.838 -20.942 1.00 0.00 C ATOM 807 C LYS A 44 -6.665 5.957 -21.484 1.00 0.00 C ATOM 808 O LYS A 44 -6.827 5.344 -22.518 1.00 0.00 O ATOM 809 CB LYS A 44 -8.278 6.225 -19.668 1.00 0.00 C ATOM 810 CG LYS A 44 -8.785 7.334 -18.764 1.00 0.00 C ATOM 811 CD LYS A 44 -9.672 6.741 -17.665 1.00 0.00 C ATOM 812 CE LYS A 44 -10.912 6.105 -18.296 1.00 0.00 C ATOM 813 NZ LYS A 44 -12.073 6.250 -17.372 1.00 0.00 N ATOM 0 H LYS A 44 -9.532 6.286 -21.871 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.341 7.828 -20.701 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.086 5.532 -19.903 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.503 5.651 -19.161 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.944 7.866 -18.318 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.350 8.062 -19.347 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.116 5.994 -17.098 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.968 7.520 -16.962 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.132 6.583 -19.251 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.728 5.051 -18.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.915 5.817 -17.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.861 5.775 -16.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.253 7.259 -17.197 1.00 0.00 H new ATOM 827 N ASP A 45 -5.577 5.892 -20.811 1.00 0.00 N ATOM 828 CA ASP A 45 -4.477 5.056 -21.282 1.00 0.00 C ATOM 829 C ASP A 45 -3.393 4.860 -20.203 1.00 0.00 C ATOM 830 O ASP A 45 -3.482 5.364 -19.100 1.00 0.00 O ATOM 831 CB ASP A 45 -3.912 5.725 -22.555 1.00 0.00 C ATOM 832 CG ASP A 45 -2.670 6.607 -22.271 1.00 0.00 C ATOM 833 OD1 ASP A 45 -2.854 7.734 -21.842 1.00 0.00 O ATOM 834 OD2 ASP A 45 -1.568 6.132 -22.493 1.00 0.00 O ATOM 0 H ASP A 45 -5.401 6.392 -19.939 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.837 4.052 -21.509 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.646 4.953 -23.278 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.689 6.337 -23.013 1.00 0.00 H new ATOM 839 N GLY A 46 -2.357 4.143 -20.560 1.00 0.00 N ATOM 840 CA GLY A 46 -1.229 3.908 -19.624 1.00 0.00 C ATOM 841 C GLY A 46 -0.957 2.407 -19.460 1.00 0.00 C ATOM 842 O GLY A 46 -1.630 1.571 -20.025 1.00 0.00 O ATOM 0 H GLY A 46 -2.249 3.706 -21.476 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.333 4.405 -19.996 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.459 4.348 -18.654 1.00 0.00 H new ATOM 846 N PHE A 47 0.055 2.077 -18.698 1.00 0.00 N ATOM 847 CA PHE A 47 0.437 0.641 -18.487 1.00 0.00 C ATOM 848 C PHE A 47 -0.721 -0.164 -17.878 1.00 0.00 C ATOM 849 O PHE A 47 -1.598 0.376 -17.231 1.00 0.00 O ATOM 850 CB PHE A 47 1.642 0.579 -17.535 1.00 0.00 C ATOM 851 CG PHE A 47 2.730 1.523 -18.013 1.00 0.00 C ATOM 852 CD1 PHE A 47 3.180 1.464 -19.339 1.00 0.00 C ATOM 853 CD2 PHE A 47 3.285 2.458 -17.127 1.00 0.00 C ATOM 854 CE1 PHE A 47 4.181 2.339 -19.778 1.00 0.00 C ATOM 855 CE2 PHE A 47 4.286 3.332 -17.568 1.00 0.00 C ATOM 856 CZ PHE A 47 4.733 3.273 -18.893 1.00 0.00 C ATOM 0 H PHE A 47 0.643 2.749 -18.205 1.00 0.00 H new ATOM 0 HA PHE A 47 0.685 0.207 -19.455 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.333 0.849 -16.525 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.027 -0.440 -17.489 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.755 0.744 -20.022 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.940 2.504 -16.105 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.528 2.293 -20.800 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.713 4.052 -16.886 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.504 3.948 -19.233 1.00 0.00 H new ATOM 866 N ILE A 48 -0.710 -1.467 -18.075 1.00 0.00 N ATOM 867 CA ILE A 48 -1.781 -2.341 -17.505 1.00 0.00 C ATOM 868 C ILE A 48 -1.150 -3.715 -17.128 1.00 0.00 C ATOM 869 O ILE A 48 -0.552 -4.347 -17.961 1.00 0.00 O ATOM 870 CB ILE A 48 -2.902 -2.551 -18.542 1.00 0.00 C ATOM 871 CG1 ILE A 48 -2.302 -2.856 -19.925 1.00 0.00 C ATOM 872 CG2 ILE A 48 -3.746 -1.282 -18.632 1.00 0.00 C ATOM 873 CD1 ILE A 48 -3.269 -3.731 -20.729 1.00 0.00 C ATOM 0 H ILE A 48 0.003 -1.961 -18.611 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.210 -1.869 -16.621 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.520 -3.393 -18.230 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.108 -1.927 -20.460 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.345 -3.365 -19.812 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.541 -1.425 -19.364 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.185 -1.067 -17.658 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.116 -0.447 -18.939 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.839 -3.944 -21.708 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.441 -4.667 -20.197 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.216 -3.206 -20.855 1.00 0.00 H new ATOM 885 N PRO A 49 -1.281 -4.143 -15.876 1.00 0.00 N ATOM 886 CA PRO A 49 -0.691 -5.415 -15.439 1.00 0.00 C ATOM 887 C PRO A 49 -1.371 -6.616 -16.077 1.00 0.00 C ATOM 888 O PRO A 49 -2.447 -7.003 -15.717 1.00 0.00 O ATOM 889 CB PRO A 49 -0.850 -5.419 -13.926 1.00 0.00 C ATOM 890 CG PRO A 49 -1.982 -4.405 -13.614 1.00 0.00 C ATOM 891 CD PRO A 49 -2.023 -3.436 -14.824 1.00 0.00 C ATOM 0 HA PRO A 49 0.353 -5.496 -15.743 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.106 -6.414 -13.563 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.079 -5.130 -13.435 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.938 -4.913 -13.486 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.781 -3.867 -12.688 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.047 -3.226 -15.132 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.560 -2.479 -14.584 1.00 0.00 H new ATOM 899 N LYS A 50 -0.699 -7.189 -17.026 1.00 0.00 N ATOM 900 CA LYS A 50 -1.182 -8.386 -17.772 1.00 0.00 C ATOM 901 C LYS A 50 -1.827 -9.456 -16.861 1.00 0.00 C ATOM 902 O LYS A 50 -2.567 -10.285 -17.342 1.00 0.00 O ATOM 903 CB LYS A 50 0.032 -8.997 -18.436 1.00 0.00 C ATOM 904 CG LYS A 50 -0.382 -9.936 -19.541 1.00 0.00 C ATOM 905 CD LYS A 50 0.888 -10.435 -20.213 1.00 0.00 C ATOM 906 CE LYS A 50 0.589 -11.702 -21.015 1.00 0.00 C ATOM 907 NZ LYS A 50 1.868 -12.307 -21.488 1.00 0.00 N ATOM 0 H LYS A 50 0.216 -6.860 -17.334 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.951 -8.069 -18.477 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.667 -8.209 -18.840 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.625 -9.536 -17.697 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.958 -10.770 -19.140 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.021 -9.424 -20.260 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.289 -9.664 -20.871 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.650 -10.641 -19.462 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.044 -12.416 -20.397 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.049 -11.464 -21.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.664 -13.169 -22.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.372 -11.626 -22.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.462 -12.548 -20.669 1.00 0.00 H new ATOM 921 N ASN A 51 -1.544 -9.473 -15.567 1.00 0.00 N ATOM 922 CA ASN A 51 -2.135 -10.490 -14.684 1.00 0.00 C ATOM 923 C ASN A 51 -3.657 -10.440 -14.768 1.00 0.00 C ATOM 924 O ASN A 51 -4.318 -11.460 -14.856 1.00 0.00 O ATOM 925 CB ASN A 51 -1.673 -10.219 -13.289 1.00 0.00 C ATOM 926 CG ASN A 51 -0.370 -10.975 -13.009 1.00 0.00 C ATOM 927 OD1 ASN A 51 0.652 -10.688 -13.601 1.00 0.00 O ATOM 928 ND2 ASN A 51 -0.363 -11.935 -12.125 1.00 0.00 N ATOM 0 H ASN A 51 -0.922 -8.811 -15.103 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.819 -11.487 -14.990 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.519 -9.149 -13.150 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.440 -10.525 -12.578 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.500 -12.444 -11.931 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.220 -12.177 -11.628 1.00 0.00 H new ATOM 935 N TYR A 52 -4.209 -9.261 -14.782 1.00 0.00 N ATOM 936 CA TYR A 52 -5.671 -9.118 -14.907 1.00 0.00 C ATOM 937 C TYR A 52 -5.974 -8.804 -16.348 1.00 0.00 C ATOM 938 O TYR A 52 -6.783 -7.940 -16.651 1.00 0.00 O ATOM 939 CB TYR A 52 -6.172 -7.960 -14.018 1.00 0.00 C ATOM 940 CG TYR A 52 -5.908 -8.187 -12.579 1.00 0.00 C ATOM 941 CD1 TYR A 52 -5.899 -9.465 -12.020 1.00 0.00 C ATOM 942 CD2 TYR A 52 -5.707 -7.078 -11.790 1.00 0.00 C ATOM 943 CE1 TYR A 52 -5.683 -9.613 -10.661 1.00 0.00 C ATOM 944 CE2 TYR A 52 -5.491 -7.212 -10.448 1.00 0.00 C ATOM 945 CZ TYR A 52 -5.476 -8.482 -9.861 1.00 0.00 C ATOM 946 OH TYR A 52 -5.260 -8.619 -8.505 1.00 0.00 O ATOM 0 H TYR A 52 -3.696 -8.382 -14.711 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.167 -10.036 -14.591 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.690 -7.034 -14.330 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.243 -7.828 -14.170 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.059 -10.332 -12.643 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.720 -6.094 -12.235 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.674 -10.598 -10.218 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.331 -6.335 -9.838 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.641 -7.849 -8.034 1.00 0.00 H new ATOM 956 N ILE A 53 -5.312 -9.481 -17.259 1.00 0.00 N ATOM 957 CA ILE A 53 -5.558 -9.204 -18.684 1.00 0.00 C ATOM 958 C ILE A 53 -5.125 -10.359 -19.581 1.00 0.00 C ATOM 959 O ILE A 53 -4.364 -11.228 -19.200 1.00 0.00 O ATOM 960 CB ILE A 53 -4.810 -7.948 -19.176 1.00 0.00 C ATOM 961 CG1 ILE A 53 -4.254 -7.117 -18.023 1.00 0.00 C ATOM 962 CG2 ILE A 53 -5.748 -7.074 -20.009 1.00 0.00 C ATOM 963 CD1 ILE A 53 -3.431 -6.003 -18.606 1.00 0.00 C ATOM 0 H ILE A 53 -4.620 -10.205 -17.065 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.635 -9.053 -18.754 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.971 -8.293 -19.781 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.066 -6.714 -17.418 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.644 -7.737 -17.366 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.212 -6.189 -20.352 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.104 -7.640 -20.870 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.598 -6.769 -19.399 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.022 -5.393 -17.801 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.615 -6.423 -19.194 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.059 -5.384 -19.247 1.00 0.00 H new ATOM 975 N GLU A 54 -5.562 -10.301 -20.809 1.00 0.00 N ATOM 976 CA GLU A 54 -5.168 -11.290 -21.811 1.00 0.00 C ATOM 977 C GLU A 54 -4.997 -10.574 -23.138 1.00 0.00 C ATOM 978 O GLU A 54 -5.482 -9.474 -23.330 1.00 0.00 O ATOM 979 CB GLU A 54 -6.187 -12.448 -21.892 1.00 0.00 C ATOM 980 CG GLU A 54 -6.813 -12.635 -23.304 1.00 0.00 C ATOM 981 CD GLU A 54 -7.801 -13.805 -23.276 1.00 0.00 C ATOM 982 OE1 GLU A 54 -7.563 -14.738 -22.528 1.00 0.00 O ATOM 983 OE2 GLU A 54 -8.777 -13.746 -24.006 1.00 0.00 O ATOM 0 H GLU A 54 -6.195 -9.580 -21.155 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.221 -11.752 -21.531 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.694 -13.375 -21.598 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.985 -12.269 -21.172 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.323 -11.722 -23.611 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.030 -12.824 -24.038 1.00 0.00 H new ATOM 990 N MET A 55 -4.313 -11.201 -24.036 1.00 0.00 N ATOM 991 CA MET A 55 -4.054 -10.573 -25.373 1.00 0.00 C ATOM 992 C MET A 55 -5.111 -10.975 -26.405 1.00 0.00 C ATOM 993 O MET A 55 -5.075 -12.064 -26.951 1.00 0.00 O ATOM 994 CB MET A 55 -2.676 -11.007 -25.871 1.00 0.00 C ATOM 995 CG MET A 55 -2.293 -10.173 -27.093 1.00 0.00 C ATOM 996 SD MET A 55 -0.498 -9.926 -27.127 1.00 0.00 S ATOM 997 CE MET A 55 -0.048 -11.610 -27.610 1.00 0.00 C ATOM 0 H MET A 55 -3.913 -12.131 -23.913 1.00 0.00 H new ATOM 0 HA MET A 55 -4.097 -9.491 -25.251 1.00 0.00 H new ATOM 0 HB2 MET A 55 -1.935 -10.878 -25.082 1.00 0.00 H new ATOM 0 HB3 MET A 55 -2.687 -12.066 -26.129 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.618 -10.675 -28.004 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.802 -9.209 -27.061 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.602 -12.045 -26.851 1.00 0.00 H new ATOM 0 HE2 MET A 55 -0.950 -12.215 -27.705 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.476 -11.587 -28.566 1.00 0.00 H new ATOM 1007 N LYS A 56 -6.042 -10.092 -26.687 1.00 0.00 N ATOM 1008 CA LYS A 56 -7.078 -10.379 -27.671 1.00 0.00 C ATOM 1009 C LYS A 56 -6.806 -9.636 -28.977 1.00 0.00 C ATOM 1010 O LYS A 56 -6.093 -8.638 -28.992 1.00 0.00 O ATOM 1011 CB LYS A 56 -8.396 -9.924 -27.121 1.00 0.00 C ATOM 1012 CG LYS A 56 -9.045 -11.054 -26.353 1.00 0.00 C ATOM 1013 CD LYS A 56 -10.234 -10.505 -25.566 1.00 0.00 C ATOM 1014 CE LYS A 56 -11.290 -9.978 -26.535 1.00 0.00 C ATOM 1015 NZ LYS A 56 -11.840 -11.107 -27.337 1.00 0.00 N ATOM 0 H LYS A 56 -6.109 -9.171 -26.254 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.089 -11.450 -27.874 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.251 -9.064 -26.468 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.048 -9.602 -27.933 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.376 -11.834 -27.039 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.324 -11.511 -25.675 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.660 -11.288 -24.938 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.905 -9.706 -24.901 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.091 -9.486 -25.983 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.851 -9.230 -27.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.879 -11.069 -27.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.505 -11.031 -28.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.521 -12.009 -26.931 1.00 0.00 H new ATOM 1029 N PRO A 57 -7.400 -10.137 -30.055 1.00 0.00 N ATOM 1030 CA PRO A 57 -7.236 -9.536 -31.350 1.00 0.00 C ATOM 1031 C PRO A 57 -8.042 -8.244 -31.440 1.00 0.00 C ATOM 1032 O PRO A 57 -8.565 -7.762 -30.450 1.00 0.00 O ATOM 1033 CB PRO A 57 -7.742 -10.578 -32.328 1.00 0.00 C ATOM 1034 CG PRO A 57 -8.672 -11.492 -31.522 1.00 0.00 C ATOM 1035 CD PRO A 57 -8.280 -11.325 -30.054 1.00 0.00 C ATOM 0 HA PRO A 57 -6.202 -9.262 -31.559 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.275 -10.111 -33.156 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.916 -11.143 -32.759 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.715 -11.219 -31.678 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.564 -12.530 -31.837 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.155 -11.174 -29.421 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.762 -12.206 -29.676 1.00 0.00 H new ATOM 1043 N HIS A 58 -8.146 -7.670 -32.616 1.00 0.00 N ATOM 1044 CA HIS A 58 -8.919 -6.394 -32.771 1.00 0.00 C ATOM 1045 C HIS A 58 -8.802 -5.911 -34.245 1.00 0.00 C ATOM 1046 O HIS A 58 -7.942 -5.112 -34.554 1.00 0.00 O ATOM 1047 CB HIS A 58 -8.341 -5.334 -31.782 1.00 0.00 C ATOM 1048 CG HIS A 58 -8.736 -3.927 -32.173 1.00 0.00 C ATOM 1049 ND1 HIS A 58 -8.028 -2.923 -32.774 1.00 0.00 N flip ATOM 1050 CD2 HIS A 58 -10.005 -3.418 -31.945 1.00 0.00 C flip ATOM 1051 CE1 HIS A 58 -8.837 -1.801 -32.923 1.00 0.00 C flip ATOM 1052 NE2 HIS A 58 -10.020 -2.152 -32.406 1.00 0.00 N flip ATOM 0 H HIS A 58 -7.730 -8.029 -33.475 1.00 0.00 H new ATOM 0 HA HIS A 58 -9.973 -6.546 -32.540 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.698 -5.545 -30.774 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -7.254 -5.413 -31.759 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -7.054 -2.987 -33.069 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.830 -3.940 -31.483 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -8.568 -0.851 -33.361 1.00 0.00 H new ATOM 1060 N PRO A 59 -9.682 -6.405 -35.113 1.00 0.00 N ATOM 1061 CA PRO A 59 -9.676 -6.013 -36.525 1.00 0.00 C ATOM 1062 C PRO A 59 -10.339 -4.641 -36.690 1.00 0.00 C ATOM 1063 O PRO A 59 -10.922 -4.110 -35.763 1.00 0.00 O ATOM 1064 CB PRO A 59 -10.499 -7.104 -37.216 1.00 0.00 C ATOM 1065 CG PRO A 59 -11.400 -7.733 -36.117 1.00 0.00 C ATOM 1066 CD PRO A 59 -10.742 -7.384 -34.764 1.00 0.00 C ATOM 0 HA PRO A 59 -8.673 -5.926 -36.942 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.103 -6.685 -38.021 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.849 -7.856 -37.664 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.413 -7.335 -36.170 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.474 -8.813 -36.246 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.465 -6.957 -34.069 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.324 -8.269 -34.285 1.00 0.00 H new ATOM 1074 N GLU A 60 -10.252 -4.065 -37.863 1.00 0.00 N ATOM 1075 CA GLU A 60 -10.875 -2.727 -38.094 1.00 0.00 C ATOM 1076 C GLU A 60 -10.755 -2.357 -39.574 1.00 0.00 C ATOM 1077 O GLU A 60 -9.677 -2.370 -40.140 1.00 0.00 O ATOM 1078 CB GLU A 60 -10.156 -1.676 -37.243 1.00 0.00 C ATOM 1079 CG GLU A 60 -10.955 -0.372 -37.260 1.00 0.00 C ATOM 1080 CD GLU A 60 -10.345 0.614 -36.263 1.00 0.00 C ATOM 1081 OE1 GLU A 60 -9.131 0.629 -36.142 1.00 0.00 O ATOM 1082 OE2 GLU A 60 -11.102 1.337 -35.635 1.00 0.00 O ATOM 0 H GLU A 60 -9.776 -4.465 -38.671 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.928 -2.762 -37.814 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.046 -2.034 -36.219 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.152 -1.505 -37.630 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.949 0.057 -38.262 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.996 -0.568 -37.003 1.00 0.00 H new ATOM 1089 N PHE A 61 -11.858 -2.029 -40.204 1.00 0.00 N ATOM 1090 CA PHE A 61 -11.818 -1.659 -41.650 1.00 0.00 C ATOM 1091 C PHE A 61 -12.487 -0.293 -41.846 1.00 0.00 C ATOM 1092 O PHE A 61 -11.825 0.704 -42.068 1.00 0.00 O ATOM 1093 CB PHE A 61 -12.564 -2.729 -42.470 1.00 0.00 C ATOM 1094 CG PHE A 61 -11.634 -3.329 -43.503 1.00 0.00 C ATOM 1095 CD1 PHE A 61 -11.243 -2.573 -44.614 1.00 0.00 C ATOM 1096 CD2 PHE A 61 -11.165 -4.639 -43.346 1.00 0.00 C ATOM 1097 CE1 PHE A 61 -10.382 -3.127 -45.570 1.00 0.00 C ATOM 1098 CE2 PHE A 61 -10.305 -5.193 -44.302 1.00 0.00 C ATOM 1099 CZ PHE A 61 -9.914 -4.437 -45.414 1.00 0.00 C ATOM 0 H PHE A 61 -12.784 -2.002 -39.777 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.783 -1.603 -41.987 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -12.939 -3.510 -41.809 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -13.429 -2.285 -42.962 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -11.605 -1.563 -44.734 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -11.466 -5.222 -42.488 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -10.079 -2.544 -46.427 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.943 -6.203 -44.182 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.251 -4.865 -46.152 1.00 0.00 H new ATOM 1109 N ILE A 62 -13.795 -0.245 -41.769 1.00 0.00 N ATOM 1110 CA ILE A 62 -14.516 1.052 -41.953 1.00 0.00 C ATOM 1111 C ILE A 62 -15.306 1.385 -40.686 1.00 0.00 C ATOM 1112 O ILE A 62 -16.464 1.039 -40.566 1.00 0.00 O ATOM 1113 CB ILE A 62 -15.479 0.939 -43.138 1.00 0.00 C ATOM 1114 CG1 ILE A 62 -14.719 0.436 -44.368 1.00 0.00 C ATOM 1115 CG2 ILE A 62 -16.079 2.313 -43.440 1.00 0.00 C ATOM 1116 CD1 ILE A 62 -15.717 0.063 -45.466 1.00 0.00 C ATOM 0 H ILE A 62 -14.395 -1.050 -41.586 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.791 1.843 -42.147 1.00 0.00 H new ATOM 0 HB ILE A 62 -16.277 0.239 -42.891 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -14.037 1.207 -44.728 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -14.111 -0.430 -44.105 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -16.765 2.233 -44.284 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -16.620 2.674 -42.565 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -15.280 3.013 -43.687 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -15.177 -0.295 -46.342 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -16.381 -0.722 -45.103 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -16.305 0.940 -45.736 1.00 0.00 H new ATOM 1128 N VAL A 63 -14.672 2.059 -39.740 1.00 0.00 N ATOM 1129 CA VAL A 63 -15.350 2.449 -38.441 1.00 0.00 C ATOM 1130 C VAL A 63 -16.202 1.287 -37.881 1.00 0.00 C ATOM 1131 O VAL A 63 -16.060 0.149 -38.290 1.00 0.00 O ATOM 1132 CB VAL A 63 -16.226 3.702 -38.666 1.00 0.00 C ATOM 1133 CG1 VAL A 63 -15.372 4.810 -39.282 1.00 0.00 C ATOM 1134 CG2 VAL A 63 -17.392 3.386 -39.610 1.00 0.00 C ATOM 0 H VAL A 63 -13.700 2.360 -39.812 1.00 0.00 H new ATOM 0 HA VAL A 63 -14.579 2.677 -37.705 1.00 0.00 H new ATOM 0 HB VAL A 63 -16.628 4.023 -37.705 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.986 5.696 -39.443 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -14.551 5.055 -38.607 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -14.969 4.471 -40.236 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -17.996 4.282 -39.755 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -17.002 3.052 -40.571 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -18.009 2.599 -39.176 1.00 0.00 H new ATOM 1144 N THR A 64 -17.080 1.574 -36.947 1.00 0.00 N ATOM 1145 CA THR A 64 -17.936 0.498 -36.360 1.00 0.00 C ATOM 1146 C THR A 64 -19.373 1.007 -36.226 1.00 0.00 C ATOM 1147 O THR A 64 -19.630 1.999 -35.569 1.00 0.00 O ATOM 1148 CB THR A 64 -17.400 0.117 -34.977 1.00 0.00 C ATOM 1149 OG1 THR A 64 -17.456 1.250 -34.121 1.00 0.00 O ATOM 1150 CG2 THR A 64 -15.953 -0.360 -35.101 1.00 0.00 C ATOM 0 H THR A 64 -17.239 2.507 -36.568 1.00 0.00 H new ATOM 0 HA THR A 64 -17.918 -0.376 -37.011 1.00 0.00 H new ATOM 0 HB THR A 64 -18.009 -0.685 -34.560 1.00 0.00 H new ATOM 0 HG1 THR A 64 -18.182 1.842 -34.409 1.00 0.00 H new ATOM 0 HG21 THR A 64 -15.573 -0.631 -34.116 1.00 0.00 H new ATOM 0 HG22 THR A 64 -15.911 -1.229 -35.757 1.00 0.00 H new ATOM 0 HG23 THR A 64 -15.341 0.439 -35.519 1.00 0.00 H new ATOM 1158 N ASP A 65 -20.314 0.332 -36.846 1.00 0.00 N ATOM 1159 CA ASP A 65 -21.744 0.768 -36.762 1.00 0.00 C ATOM 1160 C ASP A 65 -21.886 2.187 -37.323 1.00 0.00 C ATOM 1161 O ASP A 65 -21.659 3.124 -36.575 1.00 0.00 O ATOM 1162 CB ASP A 65 -22.203 0.748 -35.299 1.00 0.00 C ATOM 1163 CG ASP A 65 -22.881 -0.588 -34.993 1.00 0.00 C ATOM 1164 OD1 ASP A 65 -22.373 -1.604 -35.440 1.00 0.00 O ATOM 1165 OD2 ASP A 65 -23.898 -0.574 -34.319 1.00 0.00 O ATOM 1166 OXT ASP A 65 -22.218 2.310 -38.491 1.00 0.00 O ATOM 0 H ASP A 65 -20.151 -0.504 -37.408 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.362 0.086 -37.346 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -21.349 0.894 -34.637 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -22.895 1.570 -35.113 1.00 0.00 H new TER 1171 ASP A 65 ATOM 1172 N SER B 1 -13.452 -6.869 2.752 1.00 0.00 N ATOM 1173 CA SER B 1 -12.597 -8.028 2.364 1.00 0.00 C ATOM 1174 C SER B 1 -13.280 -8.809 1.220 1.00 0.00 C ATOM 1175 O SER B 1 -13.960 -9.785 1.474 1.00 0.00 O ATOM 1176 CB SER B 1 -12.409 -8.950 3.571 1.00 0.00 C ATOM 1177 OG SER B 1 -12.490 -8.184 4.768 1.00 0.00 O ATOM 0 H1 SER B 1 -13.485 -6.794 3.789 1.00 0.00 H new ATOM 0 H2 SER B 1 -13.053 -5.995 2.354 1.00 0.00 H new ATOM 0 H3 SER B 1 -14.415 -7.009 2.384 1.00 0.00 H new ATOM 0 HA SER B 1 -11.625 -7.667 2.028 1.00 0.00 H new ATOM 0 HB2 SER B 1 -13.173 -9.727 3.571 1.00 0.00 H new ATOM 0 HB3 SER B 1 -11.443 -9.452 3.512 1.00 0.00 H new ATOM 0 HG SER B 1 -12.372 -8.773 5.542 1.00 0.00 H new ATOM 1185 N PRO B 2 -13.083 -8.361 -0.020 1.00 0.00 N ATOM 1186 CA PRO B 2 -13.683 -9.025 -1.180 1.00 0.00 C ATOM 1187 C PRO B 2 -12.890 -10.303 -1.535 1.00 0.00 C ATOM 1188 O PRO B 2 -13.186 -11.370 -1.030 1.00 0.00 O ATOM 1189 CB PRO B 2 -13.602 -7.968 -2.293 1.00 0.00 C ATOM 1190 CG PRO B 2 -12.464 -6.993 -1.881 1.00 0.00 C ATOM 1191 CD PRO B 2 -12.262 -7.174 -0.361 1.00 0.00 C ATOM 0 HA PRO B 2 -14.708 -9.355 -1.010 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -13.388 -8.432 -3.256 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -14.549 -7.439 -2.398 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -11.546 -7.217 -2.424 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -12.731 -5.963 -2.117 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -11.212 -7.333 -0.116 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -12.588 -6.293 0.191 1.00 0.00 H new ATOM 1199 N LEU B 3 -11.880 -10.207 -2.388 1.00 0.00 N ATOM 1200 CA LEU B 3 -11.084 -11.420 -2.755 1.00 0.00 C ATOM 1201 C LEU B 3 -9.969 -11.031 -3.732 1.00 0.00 C ATOM 1202 O LEU B 3 -8.870 -11.554 -3.672 1.00 0.00 O ATOM 1203 CB LEU B 3 -11.994 -12.452 -3.428 1.00 0.00 C ATOM 1204 CG LEU B 3 -11.242 -13.775 -3.572 1.00 0.00 C ATOM 1205 CD1 LEU B 3 -11.444 -14.617 -2.312 1.00 0.00 C ATOM 1206 CD2 LEU B 3 -11.780 -14.536 -4.785 1.00 0.00 C ATOM 0 H LEU B 3 -11.581 -9.342 -2.838 1.00 0.00 H new ATOM 0 HA LEU B 3 -10.650 -11.845 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -12.898 -12.597 -2.836 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -12.309 -12.092 -4.407 1.00 0.00 H new ATOM 0 HG LEU B 3 -10.179 -13.576 -3.709 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -10.908 -15.560 -2.415 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -11.062 -14.075 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -12.507 -14.817 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -11.245 -15.480 -4.889 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -12.843 -14.735 -4.648 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -11.636 -13.936 -5.684 1.00 0.00 H new ATOM 1218 N LEU B 4 -10.250 -10.127 -4.642 1.00 0.00 N ATOM 1219 CA LEU B 4 -9.217 -9.708 -5.643 1.00 0.00 C ATOM 1220 C LEU B 4 -7.949 -9.179 -4.912 1.00 0.00 C ATOM 1221 O LEU B 4 -8.062 -8.315 -4.066 1.00 0.00 O ATOM 1222 CB LEU B 4 -9.793 -8.594 -6.523 1.00 0.00 C ATOM 1223 CG LEU B 4 -10.388 -9.203 -7.795 1.00 0.00 C ATOM 1224 CD1 LEU B 4 -11.625 -8.404 -8.214 1.00 0.00 C ATOM 1225 CD2 LEU B 4 -9.349 -9.157 -8.918 1.00 0.00 C ATOM 0 H LEU B 4 -11.152 -9.661 -4.734 1.00 0.00 H new ATOM 0 HA LEU B 4 -8.944 -10.566 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -10.560 -8.045 -5.977 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -9.012 -7.879 -6.781 1.00 0.00 H new ATOM 0 HG LEU B 4 -10.671 -10.238 -7.603 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -12.049 -8.838 -9.120 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -12.366 -8.436 -7.415 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -11.342 -7.369 -8.405 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -9.773 -9.591 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -9.066 -8.122 -9.109 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -8.467 -9.726 -8.622 1.00 0.00 H new ATOM 1237 N PRO B 5 -6.765 -9.711 -5.257 1.00 0.00 N ATOM 1238 CA PRO B 5 -5.511 -9.278 -4.627 1.00 0.00 C ATOM 1239 C PRO B 5 -5.013 -7.970 -5.261 1.00 0.00 C ATOM 1240 O PRO B 5 -5.742 -7.289 -5.958 1.00 0.00 O ATOM 1241 CB PRO B 5 -4.537 -10.423 -4.922 1.00 0.00 C ATOM 1242 CG PRO B 5 -5.094 -11.160 -6.170 1.00 0.00 C ATOM 1243 CD PRO B 5 -6.583 -10.771 -6.279 1.00 0.00 C ATOM 0 HA PRO B 5 -5.620 -9.081 -3.561 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -3.534 -10.041 -5.112 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -4.464 -11.100 -4.071 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -4.550 -10.868 -7.068 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -4.981 -12.239 -6.066 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -6.826 -10.406 -7.277 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -7.232 -11.625 -6.085 1.00 0.00 H new ATOM 1251 N LYS B 6 -3.772 -7.624 -5.021 1.00 0.00 N ATOM 1252 CA LYS B 6 -3.206 -6.369 -5.602 1.00 0.00 C ATOM 1253 C LYS B 6 -2.211 -6.737 -6.721 1.00 0.00 C ATOM 1254 O LYS B 6 -2.300 -7.804 -7.303 1.00 0.00 O ATOM 1255 CB LYS B 6 -2.500 -5.574 -4.484 1.00 0.00 C ATOM 1256 CG LYS B 6 -1.348 -6.403 -3.896 1.00 0.00 C ATOM 1257 CD LYS B 6 -0.619 -5.584 -2.825 1.00 0.00 C ATOM 1258 CE LYS B 6 -0.230 -6.495 -1.656 1.00 0.00 C ATOM 1259 NZ LYS B 6 0.815 -7.459 -2.104 1.00 0.00 N ATOM 0 H LYS B 6 -3.124 -8.161 -4.444 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.998 -5.753 -6.026 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -2.117 -4.634 -4.881 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -3.214 -5.321 -3.700 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -1.735 -7.325 -3.462 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -0.653 -6.689 -4.685 1.00 0.00 H new ATOM 0 HD2 LYS B 6 0.272 -5.121 -3.250 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -1.260 -4.776 -2.472 1.00 0.00 H new ATOM 0 HE2 LYS B 6 0.144 -5.898 -0.824 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -1.106 -7.034 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 1.189 -7.973 -1.281 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 0.398 -8.135 -2.775 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 1.588 -6.942 -2.569 1.00 0.00 H new ATOM 1273 N LEU B 7 -1.269 -5.869 -7.030 1.00 0.00 N ATOM 1274 CA LEU B 7 -0.280 -6.182 -8.108 1.00 0.00 C ATOM 1275 C LEU B 7 1.132 -6.313 -7.491 1.00 0.00 C ATOM 1276 O LEU B 7 1.876 -5.354 -7.475 1.00 0.00 O ATOM 1277 CB LEU B 7 -0.282 -5.052 -9.160 1.00 0.00 C ATOM 1278 CG LEU B 7 -0.786 -5.583 -10.515 1.00 0.00 C ATOM 1279 CD1 LEU B 7 0.092 -6.751 -10.986 1.00 0.00 C ATOM 1280 CD2 LEU B 7 -2.235 -6.059 -10.371 1.00 0.00 C ATOM 0 H LEU B 7 -1.146 -4.961 -6.581 1.00 0.00 H new ATOM 0 HA LEU B 7 -0.555 -7.121 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.918 -4.234 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.724 -4.648 -9.272 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.734 -4.781 -11.251 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.274 -7.118 -11.945 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.122 -6.411 -11.097 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.053 -7.555 -10.251 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -2.592 -6.435 -11.330 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -2.284 -6.855 -9.628 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.862 -5.226 -10.052 1.00 0.00 H new ATOM 1292 N PRO B 8 1.471 -7.507 -7.004 1.00 0.00 N ATOM 1293 CA PRO B 8 2.787 -7.749 -6.405 1.00 0.00 C ATOM 1294 C PRO B 8 3.846 -7.938 -7.522 1.00 0.00 C ATOM 1295 O PRO B 8 3.782 -8.910 -8.248 1.00 0.00 O ATOM 1296 CB PRO B 8 2.600 -9.049 -5.615 1.00 0.00 C ATOM 1297 CG PRO B 8 1.386 -9.776 -6.255 1.00 0.00 C ATOM 1298 CD PRO B 8 0.584 -8.697 -7.011 1.00 0.00 C ATOM 0 HA PRO B 8 3.131 -6.926 -5.778 1.00 0.00 H new ATOM 0 HB2 PRO B 8 3.496 -9.668 -5.667 1.00 0.00 H new ATOM 0 HB3 PRO B 8 2.417 -8.841 -4.561 1.00 0.00 H new ATOM 0 HG2 PRO B 8 1.717 -10.561 -6.934 1.00 0.00 H new ATOM 0 HG3 PRO B 8 0.772 -10.253 -5.491 1.00 0.00 H new ATOM 0 HD2 PRO B 8 0.352 -9.014 -8.028 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -0.365 -8.488 -6.517 1.00 0.00 H new ATOM 1306 N PRO B 9 4.797 -7.007 -7.642 1.00 0.00 N ATOM 1307 CA PRO B 9 5.835 -7.106 -8.675 1.00 0.00 C ATOM 1308 C PRO B 9 6.893 -8.135 -8.268 1.00 0.00 C ATOM 1309 O PRO B 9 6.935 -8.574 -7.139 1.00 0.00 O ATOM 1310 CB PRO B 9 6.436 -5.697 -8.734 1.00 0.00 C ATOM 1311 CG PRO B 9 6.116 -5.030 -7.370 1.00 0.00 C ATOM 1312 CD PRO B 9 4.920 -5.806 -6.779 1.00 0.00 C ATOM 0 HA PRO B 9 5.446 -7.432 -9.640 1.00 0.00 H new ATOM 0 HB2 PRO B 9 7.512 -5.740 -8.903 1.00 0.00 H new ATOM 0 HB3 PRO B 9 6.007 -5.125 -9.557 1.00 0.00 H new ATOM 0 HG2 PRO B 9 6.977 -5.076 -6.703 1.00 0.00 H new ATOM 0 HG3 PRO B 9 5.870 -3.976 -7.501 1.00 0.00 H new ATOM 0 HD2 PRO B 9 5.099 -6.080 -5.739 1.00 0.00 H new ATOM 0 HD3 PRO B 9 4.009 -5.208 -6.799 1.00 0.00 H new ATOM 1320 N LYS B 10 7.748 -8.516 -9.198 1.00 0.00 N ATOM 1321 CA LYS B 10 8.837 -9.526 -8.912 1.00 0.00 C ATOM 1322 C LYS B 10 8.249 -10.949 -8.919 1.00 0.00 C ATOM 1323 O LYS B 10 8.449 -11.697 -9.859 1.00 0.00 O ATOM 1324 CB LYS B 10 9.525 -9.244 -7.553 1.00 0.00 C ATOM 1325 CG LYS B 10 9.771 -7.738 -7.395 1.00 0.00 C ATOM 1326 CD LYS B 10 11.092 -7.507 -6.660 1.00 0.00 C ATOM 1327 CE LYS B 10 11.166 -6.054 -6.190 1.00 0.00 C ATOM 1328 NZ LYS B 10 12.371 -5.869 -5.335 1.00 0.00 N ATOM 0 H LYS B 10 7.739 -8.167 -10.156 1.00 0.00 H new ATOM 0 HA LYS B 10 9.590 -9.441 -9.695 1.00 0.00 H new ATOM 0 HB2 LYS B 10 8.900 -9.607 -6.737 1.00 0.00 H new ATOM 0 HB3 LYS B 10 10.470 -9.784 -7.495 1.00 0.00 H new ATOM 0 HG2 LYS B 10 9.800 -7.260 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS B 10 8.951 -7.282 -6.841 1.00 0.00 H new ATOM 0 HD2 LYS B 10 11.168 -8.181 -5.807 1.00 0.00 H new ATOM 0 HD3 LYS B 10 11.931 -7.731 -7.319 1.00 0.00 H new ATOM 0 HE2 LYS B 10 11.210 -5.385 -7.049 1.00 0.00 H new ATOM 0 HE3 LYS B 10 10.267 -5.795 -5.631 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 12.421 -4.881 -5.015 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 12.310 -6.498 -4.509 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 13.224 -6.099 -5.883 1.00 0.00 H new ATOM 1342 N THR B 11 7.532 -11.333 -7.885 1.00 0.00 N ATOM 1343 CA THR B 11 6.947 -12.708 -7.846 1.00 0.00 C ATOM 1344 C THR B 11 5.447 -12.640 -8.137 1.00 0.00 C ATOM 1345 O THR B 11 4.817 -11.612 -7.969 1.00 0.00 O ATOM 1346 CB THR B 11 7.166 -13.318 -6.456 1.00 0.00 C ATOM 1347 OG1 THR B 11 8.320 -12.739 -5.861 1.00 0.00 O ATOM 1348 CG2 THR B 11 7.359 -14.829 -6.584 1.00 0.00 C ATOM 0 H THR B 11 7.329 -10.753 -7.071 1.00 0.00 H new ATOM 0 HA THR B 11 7.435 -13.327 -8.599 1.00 0.00 H new ATOM 0 HB THR B 11 6.296 -13.117 -5.831 1.00 0.00 H new ATOM 0 HG1 THR B 11 8.459 -13.127 -4.972 1.00 0.00 H new ATOM 0 HG21 THR B 11 7.515 -15.261 -5.595 1.00 0.00 H new ATOM 0 HG22 THR B 11 6.473 -15.272 -7.038 1.00 0.00 H new ATOM 0 HG23 THR B 11 8.228 -15.033 -7.210 1.00 0.00 H new ATOM 1356 N TYR B 12 4.871 -13.735 -8.570 1.00 0.00 N ATOM 1357 CA TYR B 12 3.408 -13.754 -8.872 1.00 0.00 C ATOM 1358 C TYR B 12 2.728 -14.817 -8.005 1.00 0.00 C ATOM 1359 O TYR B 12 3.353 -15.773 -7.581 1.00 0.00 O ATOM 1360 CB TYR B 12 3.195 -14.085 -10.353 1.00 0.00 C ATOM 1361 CG TYR B 12 3.920 -15.366 -10.696 1.00 0.00 C ATOM 1362 CD1 TYR B 12 3.364 -16.600 -10.342 1.00 0.00 C ATOM 1363 CD2 TYR B 12 5.147 -15.317 -11.369 1.00 0.00 C ATOM 1364 CE1 TYR B 12 4.036 -17.786 -10.660 1.00 0.00 C ATOM 1365 CE2 TYR B 12 5.819 -16.503 -11.686 1.00 0.00 C ATOM 1366 CZ TYR B 12 5.264 -17.739 -11.331 1.00 0.00 C ATOM 1367 OH TYR B 12 5.926 -18.908 -11.644 1.00 0.00 O ATOM 0 H TYR B 12 5.354 -14.619 -8.727 1.00 0.00 H new ATOM 0 HA TYR B 12 2.977 -12.777 -8.656 1.00 0.00 H new ATOM 0 HB2 TYR B 12 2.131 -14.190 -10.563 1.00 0.00 H new ATOM 0 HB3 TYR B 12 3.563 -13.269 -10.975 1.00 0.00 H new ATOM 0 HD1 TYR B 12 2.417 -16.638 -9.824 1.00 0.00 H new ATOM 0 HD2 TYR B 12 5.575 -14.364 -11.643 1.00 0.00 H new ATOM 0 HE1 TYR B 12 3.607 -18.739 -10.387 1.00 0.00 H new ATOM 0 HE2 TYR B 12 6.766 -16.465 -12.204 1.00 0.00 H new ATOM 0 HH TYR B 12 6.762 -18.696 -12.109 1.00 0.00 H new ATOM 1377 N LYS B 13 1.455 -14.657 -7.733 1.00 0.00 N ATOM 1378 CA LYS B 13 0.735 -15.658 -6.886 1.00 0.00 C ATOM 1379 C LYS B 13 -0.734 -15.736 -7.309 1.00 0.00 C ATOM 1380 O LYS B 13 -1.270 -14.816 -7.898 1.00 0.00 O ATOM 1381 CB LYS B 13 0.820 -15.236 -5.418 1.00 0.00 C ATOM 1382 CG LYS B 13 2.286 -15.077 -5.016 1.00 0.00 C ATOM 1383 CD LYS B 13 2.374 -14.780 -3.518 1.00 0.00 C ATOM 1384 CE LYS B 13 2.483 -16.095 -2.741 1.00 0.00 C ATOM 1385 NZ LYS B 13 1.126 -16.522 -2.296 1.00 0.00 N ATOM 0 H LYS B 13 0.885 -13.877 -8.061 1.00 0.00 H new ATOM 0 HA LYS B 13 1.198 -16.637 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.287 -14.297 -5.267 1.00 0.00 H new ATOM 0 HB3 LYS B 13 0.338 -15.982 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS B 13 2.839 -15.986 -5.251 1.00 0.00 H new ATOM 0 HG3 LYS B 13 2.745 -14.269 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS B 13 3.240 -14.151 -3.312 1.00 0.00 H new ATOM 0 HD3 LYS B 13 1.493 -14.226 -3.194 1.00 0.00 H new ATOM 0 HE2 LYS B 13 2.931 -16.865 -3.369 1.00 0.00 H new ATOM 0 HE3 LYS B 13 3.137 -15.967 -1.878 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 1.201 -17.028 -1.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 0.521 -15.685 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 0.708 -17.151 -3.011 1.00 0.00 H new ATOM 1399 N ARG B 14 -1.391 -16.832 -7.003 1.00 0.00 N ATOM 1400 CA ARG B 14 -2.833 -16.987 -7.376 1.00 0.00 C ATOM 1401 C ARG B 14 -2.992 -16.890 -8.896 1.00 0.00 C ATOM 1402 O ARG B 14 -2.916 -15.820 -9.470 1.00 0.00 O ATOM 1403 CB ARG B 14 -3.659 -15.885 -6.705 1.00 0.00 C ATOM 1404 CG ARG B 14 -5.074 -16.401 -6.433 1.00 0.00 C ATOM 1405 CD ARG B 14 -5.136 -17.027 -5.036 1.00 0.00 C ATOM 1406 NE ARG B 14 -5.035 -18.509 -5.151 1.00 0.00 N ATOM 1407 CZ ARG B 14 -5.604 -19.273 -4.259 1.00 0.00 C ATOM 1408 NH1 ARG B 14 -4.975 -19.566 -3.154 1.00 0.00 N ATOM 1409 NH2 ARG B 14 -6.803 -19.742 -4.471 1.00 0.00 N ATOM 0 H ARG B 14 -0.987 -17.628 -6.509 1.00 0.00 H new ATOM 0 HA ARG B 14 -3.185 -17.962 -7.040 1.00 0.00 H new ATOM 0 HB2 ARG B 14 -3.186 -15.579 -5.772 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -3.699 -15.004 -7.346 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -5.790 -15.583 -6.507 1.00 0.00 H new ATOM 0 HG3 ARG B 14 -5.353 -17.139 -7.185 1.00 0.00 H new ATOM 0 HD2 ARG B 14 -4.325 -16.643 -4.418 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -6.069 -16.752 -4.544 1.00 0.00 H new ATOM 0 HE ARG B 14 -4.521 -18.926 -5.927 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -4.038 -19.198 -2.987 1.00 0.00 H new ATOM 0 HH12 ARG B 14 -5.420 -20.163 -2.457 1.00 0.00 H new ATOM 0 HH21 ARG B 14 -7.296 -19.512 -5.334 1.00 0.00 H new ATOM 0 HH22 ARG B 14 -7.248 -20.339 -3.774 1.00 0.00 H new ATOM 1423 N GLU B 15 -3.216 -18.005 -9.549 1.00 0.00 N ATOM 1424 CA GLU B 15 -3.384 -17.989 -11.032 1.00 0.00 C ATOM 1425 C GLU B 15 -4.693 -18.690 -11.403 1.00 0.00 C ATOM 1426 O GLU B 15 -5.005 -19.689 -10.778 1.00 0.00 O ATOM 1427 CB GLU B 15 -2.211 -18.721 -11.687 1.00 0.00 C ATOM 1428 CG GLU B 15 -1.117 -17.715 -12.046 1.00 0.00 C ATOM 1429 CD GLU B 15 0.234 -18.428 -12.105 1.00 0.00 C ATOM 1430 OE1 GLU B 15 0.371 -19.331 -12.914 1.00 0.00 O ATOM 1431 OE2 GLU B 15 1.110 -18.060 -11.339 1.00 0.00 O ATOM 1432 OXT GLU B 15 -5.361 -18.214 -12.306 1.00 0.00 O ATOM 0 H GLU B 15 -3.289 -18.926 -9.116 1.00 0.00 H new ATOM 0 HA GLU B 15 -3.410 -16.958 -11.384 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -1.816 -19.477 -11.008 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -2.549 -19.242 -12.583 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -1.337 -17.250 -13.007 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -1.086 -16.916 -11.305 1.00 0.00 H new TER 1439 GLU B 15