USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1026 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 39 HIS HD1 : A 39 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 71 HIS :FLIP no HD1:sc= -6.17! C(o=-9.5!,f=-6.3!) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -0.0811 F(o=-7.2,f=-6.3) USER MOD Set 2.1: A 43 SER OG : rot 170:sc= 1.06 USER MOD Set 2.2: A 72 SER OG : rot -32:sc= -0.753 USER MOD Set 3.1: A 36 TYR OH : rot 180:sc= -1.29! USER MOD Set 3.2: A 45 HIS : no HD1:sc= -9.09! C(o=-10!,f=-12!) USER MOD Set 4.1: A 23 ASN : amide:sc= -6.12! C(o=-12!,f=-25!) USER MOD Set 4.2: A 67 THR OG1 : rot -11:sc= -0.55 USER MOD Set 4.3: A 101 ASN : amide:sc= -4.91! C(o=-12!,f=-16!) USER MOD Set 4.4: A 103 MET CE :methyl -112:sc= -0.323 (180deg=-2.34!) USER MOD Set 5.1: A 11 THR OG1 : rot 180:sc= 0.358 USER MOD Set 5.2: A 14 GLN :FLIP amide:sc= 0.616 F(o=-1,f=0.97) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -72:sc= 1.34 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00435 USER MOD Single : A 19 HIS : no HE2:sc= -1.45 K(o=-1.4,f=-2.5!) USER MOD Single : A 35 ASN : amide:sc= -1.53 K(o=-1.5,f=-6.6!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 160:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.095) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.219 F(o=-0.78,f=-0.22) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= 1.23 (180deg=1.14) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 56:sc= -2.27 USER MOD Single : A 81 THR OG1 : rot -169:sc= -1.11 USER MOD Single : A 82 CYS SG : rot 42:sc= -0.531 USER MOD Single : A 88 ASN : amide:sc= -11.7! C(o=-12!,f=-20!) USER MOD Single : A 89 TYR OH : rot 15:sc= -6.32! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -152:sc= -0.0812 (180deg=-0.592) USER MOD Single : A 97 THR OG1 : rot -66:sc= 1.18 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot -53:sc= 0.00529 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 CYS SG : rot 110:sc= -1.37 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.935 21.842 7.135 1.00 0.00 N ATOM 2 CA MET A 1 7.302 22.314 7.481 1.00 0.00 C ATOM 3 C MET A 1 8.276 21.146 7.599 1.00 0.00 C ATOM 4 O MET A 1 8.477 20.601 8.684 1.00 0.00 O ATOM 5 CB MET A 1 7.233 23.078 8.804 1.00 0.00 C ATOM 6 CG MET A 1 8.177 24.267 8.872 1.00 0.00 C ATOM 7 SD MET A 1 7.419 25.789 8.273 1.00 0.00 S ATOM 8 CE MET A 1 7.408 26.774 9.770 1.00 0.00 C ATOM 0 H1 MET A 1 5.294 22.658 7.061 1.00 0.00 H new ATOM 0 H2 MET A 1 5.961 21.339 6.225 1.00 0.00 H new ATOM 0 H3 MET A 1 5.592 21.198 7.876 1.00 0.00 H new ATOM 0 HA MET A 1 7.666 22.966 6.687 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.212 23.426 8.959 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.464 22.394 9.621 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.503 24.409 9.902 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.068 24.053 8.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.967 27.749 9.561 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.821 26.266 10.535 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.430 26.907 10.126 1.00 0.00 H new ATOM 18 N ALA A 2 8.876 20.766 6.476 1.00 0.00 N ATOM 19 CA ALA A 2 9.826 19.663 6.455 1.00 0.00 C ATOM 20 C ALA A 2 9.173 18.368 6.920 1.00 0.00 C ATOM 21 O ALA A 2 9.317 17.967 8.076 1.00 0.00 O ATOM 22 CB ALA A 2 11.032 19.988 7.323 1.00 0.00 C ATOM 0 H ALA A 2 8.720 21.206 5.569 1.00 0.00 H new ATOM 0 HA ALA A 2 10.159 19.523 5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.734 19.154 7.298 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.521 20.886 6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.707 20.157 8.349 1.00 0.00 H new ATOM 28 N MET A 3 8.451 17.717 6.014 1.00 0.00 N ATOM 29 CA MET A 3 7.772 16.466 6.333 1.00 0.00 C ATOM 30 C MET A 3 7.363 15.728 5.062 1.00 0.00 C ATOM 31 O MET A 3 6.316 15.080 5.019 1.00 0.00 O ATOM 32 CB MET A 3 6.540 16.735 7.198 1.00 0.00 C ATOM 33 CG MET A 3 5.710 17.919 6.726 1.00 0.00 C ATOM 34 SD MET A 3 4.756 17.548 5.242 1.00 0.00 S ATOM 35 CE MET A 3 3.401 18.707 5.414 1.00 0.00 C ATOM 0 H MET A 3 8.321 18.035 5.053 1.00 0.00 H new ATOM 0 HA MET A 3 8.468 15.837 6.889 1.00 0.00 H new ATOM 0 HB2 MET A 3 5.913 15.844 7.209 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.859 16.912 8.225 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.032 18.223 7.523 1.00 0.00 H new ATOM 0 HG3 MET A 3 6.369 18.764 6.528 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.721 18.600 4.569 1.00 0.00 H new ATOM 0 HE2 MET A 3 2.864 18.504 6.340 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.793 19.724 5.438 1.00 0.00 H new ATOM 45 N ALA A 4 8.194 15.827 4.029 1.00 0.00 N ATOM 46 CA ALA A 4 7.917 15.166 2.760 1.00 0.00 C ATOM 47 C ALA A 4 9.207 14.856 2.010 1.00 0.00 C ATOM 48 O ALA A 4 9.608 15.596 1.112 1.00 0.00 O ATOM 49 CB ALA A 4 7.000 16.028 1.904 1.00 0.00 C ATOM 0 H ALA A 4 9.064 16.359 4.047 1.00 0.00 H new ATOM 0 HA ALA A 4 7.415 14.222 2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.802 15.522 0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.060 16.194 2.431 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.480 16.987 1.708 1.00 0.00 H new ATOM 55 N ARG A 5 9.854 13.758 2.387 1.00 0.00 N ATOM 56 CA ARG A 5 11.101 13.348 1.752 1.00 0.00 C ATOM 57 C ARG A 5 11.149 11.833 1.576 1.00 0.00 C ATOM 58 O ARG A 5 11.987 11.154 2.169 1.00 0.00 O ATOM 59 CB ARG A 5 12.297 13.814 2.586 1.00 0.00 C ATOM 60 CG ARG A 5 12.368 15.323 2.759 1.00 0.00 C ATOM 61 CD ARG A 5 13.632 15.899 2.139 1.00 0.00 C ATOM 62 NE ARG A 5 13.383 16.469 0.817 1.00 0.00 N ATOM 63 CZ ARG A 5 12.780 17.639 0.615 1.00 0.00 C ATOM 64 NH1 ARG A 5 12.364 18.366 1.645 1.00 0.00 N ATOM 65 NH2 ARG A 5 12.593 18.084 -0.621 1.00 0.00 N ATOM 0 H ARG A 5 9.535 13.136 3.130 1.00 0.00 H new ATOM 0 HA ARG A 5 11.149 13.812 0.767 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.248 13.346 3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.216 13.467 2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.494 15.784 2.299 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.337 15.570 3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.039 16.669 2.795 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.386 15.116 2.060 1.00 0.00 H new ATOM 0 HE ARG A 5 13.689 15.940 0.001 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.506 18.029 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.903 19.261 1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 5 12.911 17.530 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.131 18.980 -0.776 1.00 0.00 H new ATOM 79 N SER A 6 10.241 11.307 0.759 1.00 0.00 N ATOM 80 CA SER A 6 10.177 9.872 0.510 1.00 0.00 C ATOM 81 C SER A 6 9.898 9.113 1.802 1.00 0.00 C ATOM 82 O SER A 6 10.210 9.593 2.892 1.00 0.00 O ATOM 83 CB SER A 6 11.486 9.383 -0.114 1.00 0.00 C ATOM 84 OG SER A 6 12.021 10.350 -1.003 1.00 0.00 O ATOM 0 H SER A 6 9.540 11.854 0.259 1.00 0.00 H new ATOM 0 HA SER A 6 9.360 9.682 -0.186 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.209 9.168 0.673 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.311 8.450 -0.649 1.00 0.00 H new ATOM 0 HG SER A 6 12.858 10.014 -1.387 1.00 0.00 H new ATOM 90 N ILE A 7 9.309 7.927 1.680 1.00 0.00 N ATOM 91 CA ILE A 7 8.991 7.113 2.848 1.00 0.00 C ATOM 92 C ILE A 7 8.142 7.901 3.835 1.00 0.00 C ATOM 93 O ILE A 7 8.450 7.965 5.025 1.00 0.00 O ATOM 94 CB ILE A 7 10.270 6.622 3.561 1.00 0.00 C ATOM 95 CG1 ILE A 7 11.209 5.941 2.564 1.00 0.00 C ATOM 96 CG2 ILE A 7 9.918 5.673 4.699 1.00 0.00 C ATOM 97 CD1 ILE A 7 11.888 6.906 1.618 1.00 0.00 C ATOM 0 H ILE A 7 9.043 7.510 0.788 1.00 0.00 H new ATOM 0 HA ILE A 7 8.433 6.246 2.494 1.00 0.00 H new ATOM 0 HB ILE A 7 10.783 7.486 3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.970 5.388 3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.643 5.213 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.832 5.338 5.189 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.287 6.190 5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.382 4.811 4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.538 6.354 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.134 7.442 1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.482 7.619 2.190 1.00 0.00 H new ATOM 109 N SER A 8 7.080 8.520 3.331 1.00 0.00 N ATOM 110 CA SER A 8 6.208 9.325 4.191 1.00 0.00 C ATOM 111 C SER A 8 4.747 9.289 3.742 1.00 0.00 C ATOM 112 O SER A 8 4.436 8.900 2.623 1.00 0.00 O ATOM 113 CB SER A 8 6.700 10.773 4.219 1.00 0.00 C ATOM 114 OG SER A 8 7.329 11.122 2.998 1.00 0.00 O ATOM 0 H SER A 8 6.802 8.484 2.350 1.00 0.00 H new ATOM 0 HA SER A 8 6.253 8.892 5.190 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.860 11.442 4.403 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.400 10.906 5.044 1.00 0.00 H new ATOM 0 HG SER A 8 7.633 12.053 3.041 1.00 0.00 H new ATOM 120 N TYR A 9 3.860 9.715 4.638 1.00 0.00 N ATOM 121 CA TYR A 9 2.418 9.752 4.354 1.00 0.00 C ATOM 122 C TYR A 9 2.022 11.054 3.676 1.00 0.00 C ATOM 123 O TYR A 9 2.686 12.078 3.834 1.00 0.00 O ATOM 124 CB TYR A 9 1.577 9.580 5.633 1.00 0.00 C ATOM 125 CG TYR A 9 2.242 10.078 6.896 1.00 0.00 C ATOM 126 CD1 TYR A 9 3.071 11.185 6.866 1.00 0.00 C ATOM 127 CD2 TYR A 9 2.039 9.440 8.112 1.00 0.00 C ATOM 128 CE1 TYR A 9 3.685 11.646 8.011 1.00 0.00 C ATOM 129 CE2 TYR A 9 2.649 9.895 9.264 1.00 0.00 C ATOM 130 CZ TYR A 9 3.471 10.998 9.208 1.00 0.00 C ATOM 131 OH TYR A 9 4.080 11.457 10.354 1.00 0.00 O ATOM 0 H TYR A 9 4.111 10.041 5.571 1.00 0.00 H new ATOM 0 HA TYR A 9 2.216 8.917 3.684 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.632 10.107 5.504 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.339 8.523 5.756 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.240 11.697 5.930 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.394 8.575 8.158 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.331 12.511 7.970 1.00 0.00 H new ATOM 0 HE2 TYR A 9 2.482 9.389 10.203 1.00 0.00 H new ATOM 0 HH TYR A 9 3.824 10.889 11.111 1.00 0.00 H new ATOM 141 N ILE A 10 0.928 11.010 2.924 1.00 0.00 N ATOM 142 CA ILE A 10 0.437 12.196 2.230 1.00 0.00 C ATOM 143 C ILE A 10 -1.022 12.462 2.577 1.00 0.00 C ATOM 144 O ILE A 10 -1.842 11.544 2.587 1.00 0.00 O ATOM 145 CB ILE A 10 0.576 12.069 0.700 1.00 0.00 C ATOM 146 CG1 ILE A 10 0.317 10.629 0.246 1.00 0.00 C ATOM 147 CG2 ILE A 10 1.956 12.529 0.258 1.00 0.00 C ATOM 148 CD1 ILE A 10 -1.138 10.220 0.333 1.00 0.00 C ATOM 0 H ILE A 10 0.366 10.171 2.779 1.00 0.00 H new ATOM 0 HA ILE A 10 1.053 13.031 2.565 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.172 12.709 0.232 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.657 10.514 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.914 9.951 0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.042 12.434 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.101 13.571 0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.716 11.912 0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.247 9.189 -0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.478 10.302 1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.738 10.874 -0.300 1.00 0.00 H new ATOM 160 N THR A 11 -1.345 13.721 2.863 1.00 0.00 N ATOM 161 CA THR A 11 -2.715 14.084 3.205 1.00 0.00 C ATOM 162 C THR A 11 -3.585 14.121 1.953 1.00 0.00 C ATOM 163 O THR A 11 -3.074 14.054 0.834 1.00 0.00 O ATOM 164 CB THR A 11 -2.756 15.436 3.920 1.00 0.00 C ATOM 165 OG1 THR A 11 -1.568 15.645 4.663 1.00 0.00 O ATOM 166 CG2 THR A 11 -3.923 15.567 4.874 1.00 0.00 C ATOM 0 H THR A 11 -0.684 14.498 2.865 1.00 0.00 H new ATOM 0 HA THR A 11 -3.109 13.326 3.882 1.00 0.00 H new ATOM 0 HB THR A 11 -2.864 16.181 3.132 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.612 16.515 5.112 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.896 16.547 5.349 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.857 15.456 4.323 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.858 14.792 5.637 1.00 0.00 H new ATOM 174 N SER A 12 -4.899 14.224 2.143 1.00 0.00 N ATOM 175 CA SER A 12 -5.836 14.267 1.019 1.00 0.00 C ATOM 176 C SER A 12 -5.343 15.228 -0.059 1.00 0.00 C ATOM 177 O SER A 12 -5.339 14.903 -1.245 1.00 0.00 O ATOM 178 CB SER A 12 -7.225 14.693 1.502 1.00 0.00 C ATOM 179 OG SER A 12 -7.367 14.490 2.897 1.00 0.00 O ATOM 0 H SER A 12 -5.339 14.279 3.061 1.00 0.00 H new ATOM 0 HA SER A 12 -5.900 13.267 0.590 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.388 15.745 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.988 14.125 0.970 1.00 0.00 H new ATOM 0 HG SER A 12 -7.439 13.530 3.082 1.00 0.00 H new ATOM 185 N THR A 13 -4.920 16.408 0.374 1.00 0.00 N ATOM 186 CA THR A 13 -4.410 17.425 -0.537 1.00 0.00 C ATOM 187 C THR A 13 -3.000 17.103 -0.988 1.00 0.00 C ATOM 188 O THR A 13 -2.644 17.367 -2.127 1.00 0.00 O ATOM 189 CB THR A 13 -4.445 18.809 0.102 1.00 0.00 C ATOM 190 OG1 THR A 13 -3.853 18.787 1.391 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.842 19.371 0.247 1.00 0.00 C ATOM 0 H THR A 13 -4.920 16.686 1.355 1.00 0.00 H new ATOM 0 HA THR A 13 -5.063 17.428 -1.410 1.00 0.00 H new ATOM 0 HB THR A 13 -3.884 19.450 -0.578 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.885 19.685 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.791 20.357 0.709 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.305 19.454 -0.736 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.438 18.707 0.873 1.00 0.00 H new ATOM 199 N GLN A 14 -2.193 16.539 -0.096 1.00 0.00 N ATOM 200 CA GLN A 14 -0.815 16.208 -0.442 1.00 0.00 C ATOM 201 C GLN A 14 -0.794 15.306 -1.669 1.00 0.00 C ATOM 202 O GLN A 14 0.202 15.240 -2.387 1.00 0.00 O ATOM 203 CB GLN A 14 -0.126 15.505 0.727 1.00 0.00 C ATOM 204 CG GLN A 14 -0.062 16.345 1.992 1.00 0.00 C ATOM 205 CD GLN A 14 1.166 16.055 2.831 1.00 0.00 C ATOM 206 OE1 GLN A 14 2.339 16.343 2.280 1.00 0.00 O flip ATOM 207 NE2 GLN A 14 1.061 15.578 3.961 1.00 0.00 N flip ATOM 0 H GLN A 14 -2.463 16.304 0.859 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.278 17.131 -0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.655 14.577 0.944 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.887 15.233 0.430 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.070 17.401 1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.955 16.162 2.589 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.138 15.372 4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.897 15.388 4.514 1.00 0.00 H new ATOM 216 N LEU A 15 -1.915 14.640 -1.918 1.00 0.00 N ATOM 217 CA LEU A 15 -2.044 13.775 -3.073 1.00 0.00 C ATOM 218 C LEU A 15 -2.212 14.601 -4.350 1.00 0.00 C ATOM 219 O LEU A 15 -1.892 14.130 -5.441 1.00 0.00 O ATOM 220 CB LEU A 15 -3.238 12.833 -2.898 1.00 0.00 C ATOM 221 CG LEU A 15 -3.052 11.433 -3.488 1.00 0.00 C ATOM 222 CD1 LEU A 15 -2.445 10.497 -2.455 1.00 0.00 C ATOM 223 CD2 LEU A 15 -4.380 10.884 -3.990 1.00 0.00 C ATOM 0 H LEU A 15 -2.748 14.686 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.134 13.182 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.452 12.736 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.113 13.291 -3.359 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.368 11.504 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.320 9.506 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.474 10.881 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.105 10.432 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.228 9.888 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.087 10.828 -3.162 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.778 11.543 -4.762 1.00 0.00 H new ATOM 235 N LEU A 16 -2.735 15.831 -4.223 1.00 0.00 N ATOM 236 CA LEU A 16 -2.948 16.676 -5.401 1.00 0.00 C ATOM 237 C LEU A 16 -1.626 17.109 -6.053 1.00 0.00 C ATOM 238 O LEU A 16 -1.431 16.913 -7.252 1.00 0.00 O ATOM 239 CB LEU A 16 -3.776 17.907 -5.022 1.00 0.00 C ATOM 240 CG LEU A 16 -5.225 17.888 -5.517 1.00 0.00 C ATOM 241 CD1 LEU A 16 -5.925 16.618 -5.065 1.00 0.00 C ATOM 242 CD2 LEU A 16 -5.974 19.117 -5.023 1.00 0.00 C ATOM 0 H LEU A 16 -3.012 16.252 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.492 16.081 -6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.780 18.004 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.283 18.794 -5.419 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.217 17.906 -6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.954 16.621 -5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.402 15.751 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.922 16.569 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.002 19.086 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.973 19.130 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.484 20.016 -5.397 1.00 0.00 H new ATOM 254 N PRO A 17 -0.703 17.710 -5.280 1.00 0.00 N ATOM 255 CA PRO A 17 0.589 18.171 -5.804 1.00 0.00 C ATOM 256 C PRO A 17 1.398 17.062 -6.468 1.00 0.00 C ATOM 257 O PRO A 17 2.208 17.324 -7.356 1.00 0.00 O ATOM 258 CB PRO A 17 1.326 18.680 -4.563 1.00 0.00 C ATOM 259 CG PRO A 17 0.255 18.985 -3.577 1.00 0.00 C ATOM 260 CD PRO A 17 -0.853 18.010 -3.850 1.00 0.00 C ATOM 0 HA PRO A 17 0.449 18.923 -6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.015 17.929 -4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.917 19.567 -4.791 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.624 18.880 -2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.094 20.012 -3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.757 17.112 -3.240 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.830 18.441 -3.631 1.00 0.00 H new ATOM 268 N LEU A 18 1.186 15.821 -6.035 1.00 0.00 N ATOM 269 CA LEU A 18 1.914 14.697 -6.599 1.00 0.00 C ATOM 270 C LEU A 18 1.089 14.005 -7.675 1.00 0.00 C ATOM 271 O LEU A 18 1.195 14.338 -8.856 1.00 0.00 O ATOM 272 CB LEU A 18 2.299 13.704 -5.498 1.00 0.00 C ATOM 273 CG LEU A 18 3.504 14.111 -4.647 1.00 0.00 C ATOM 274 CD1 LEU A 18 3.053 14.885 -3.418 1.00 0.00 C ATOM 275 CD2 LEU A 18 4.309 12.884 -4.242 1.00 0.00 C ATOM 0 H LEU A 18 0.521 15.574 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 18 2.826 15.076 -7.060 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.441 13.564 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.509 12.739 -5.959 1.00 0.00 H new ATOM 0 HG LEU A 18 4.144 14.760 -5.244 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.924 15.166 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.521 15.784 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.391 14.261 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.162 13.192 -3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.678 12.210 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.664 12.371 -5.136 1.00 0.00 H new ATOM 287 N HIS A 19 0.272 13.035 -7.264 1.00 0.00 N ATOM 288 CA HIS A 19 -0.566 12.284 -8.195 1.00 0.00 C ATOM 289 C HIS A 19 0.207 11.980 -9.472 1.00 0.00 C ATOM 290 O HIS A 19 -0.213 12.331 -10.575 1.00 0.00 O ATOM 291 CB HIS A 19 -1.854 13.050 -8.507 1.00 0.00 C ATOM 292 CG HIS A 19 -3.088 12.329 -8.061 1.00 0.00 C ATOM 293 ND1 HIS A 19 -4.334 12.552 -8.607 1.00 0.00 N ATOM 294 CD2 HIS A 19 -3.260 11.374 -7.116 1.00 0.00 C ATOM 295 CE1 HIS A 19 -5.218 11.766 -8.018 1.00 0.00 C ATOM 296 NE2 HIS A 19 -4.592 11.041 -7.109 1.00 0.00 N ATOM 0 H HIS A 19 0.174 12.751 -6.289 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.844 11.340 -7.726 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.816 14.026 -8.023 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.913 13.229 -9.581 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.541 13.220 -9.350 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.492 10.952 -6.485 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.274 11.724 -8.242 1.00 0.00 H new ATOM 305 N ARG A 20 1.352 11.331 -9.295 1.00 0.00 N ATOM 306 CA ARG A 20 2.228 10.969 -10.405 1.00 0.00 C ATOM 307 C ARG A 20 1.423 10.430 -11.577 1.00 0.00 C ATOM 308 O ARG A 20 1.463 10.978 -12.677 1.00 0.00 O ATOM 309 CB ARG A 20 3.238 9.916 -9.943 1.00 0.00 C ATOM 310 CG ARG A 20 4.436 9.766 -10.867 1.00 0.00 C ATOM 311 CD ARG A 20 5.279 11.030 -10.895 1.00 0.00 C ATOM 312 NE ARG A 20 6.569 10.845 -10.234 1.00 0.00 N ATOM 313 CZ ARG A 20 7.609 10.237 -10.797 1.00 0.00 C ATOM 314 NH1 ARG A 20 7.511 9.737 -12.022 1.00 0.00 N ATOM 315 NH2 ARG A 20 8.751 10.125 -10.132 1.00 0.00 N ATOM 0 H ARG A 20 1.699 11.041 -8.381 1.00 0.00 H new ATOM 0 HA ARG A 20 2.757 11.864 -10.733 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.591 10.178 -8.946 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.733 8.954 -9.860 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.048 8.926 -10.538 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.093 9.534 -11.875 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.442 11.334 -11.929 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.735 11.839 -10.407 1.00 0.00 H new ATOM 0 HE ARG A 20 6.678 11.203 -9.285 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.634 9.818 -12.537 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.312 9.272 -12.449 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.831 10.505 -9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.549 9.659 -10.564 1.00 0.00 H new ATOM 329 N ARG A 21 0.693 9.352 -11.306 1.00 0.00 N ATOM 330 CA ARG A 21 -0.156 8.677 -12.296 1.00 0.00 C ATOM 331 C ARG A 21 -0.387 7.228 -11.843 1.00 0.00 C ATOM 332 O ARG A 21 0.012 6.865 -10.738 1.00 0.00 O ATOM 333 CB ARG A 21 0.471 8.741 -13.705 1.00 0.00 C ATOM 334 CG ARG A 21 1.698 7.863 -13.891 1.00 0.00 C ATOM 335 CD ARG A 21 2.217 7.926 -15.320 1.00 0.00 C ATOM 336 NE ARG A 21 2.889 9.193 -15.609 1.00 0.00 N ATOM 337 CZ ARG A 21 2.269 10.275 -16.076 1.00 0.00 C ATOM 338 NH1 ARG A 21 0.959 10.261 -16.291 1.00 0.00 N ATOM 339 NH2 ARG A 21 2.961 11.379 -16.326 1.00 0.00 N ATOM 0 H ARG A 21 0.671 8.914 -10.385 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.117 9.187 -12.361 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.282 8.450 -14.437 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.743 9.774 -13.921 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.482 8.181 -13.204 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.451 6.832 -13.638 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.910 7.102 -15.489 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.386 7.791 -16.013 1.00 0.00 H new ATOM 0 HE ARG A 21 3.894 9.251 -15.443 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.420 9.417 -16.098 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.492 11.094 -16.649 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.967 11.399 -16.160 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.487 12.208 -16.684 1.00 0.00 H new ATOM 353 N PRO A 22 -1.043 6.376 -12.660 1.00 0.00 N ATOM 354 CA PRO A 22 -1.317 4.976 -12.286 1.00 0.00 C ATOM 355 C PRO A 22 -0.113 4.239 -11.687 1.00 0.00 C ATOM 356 O PRO A 22 -0.270 3.165 -11.105 1.00 0.00 O ATOM 357 CB PRO A 22 -1.731 4.352 -13.615 1.00 0.00 C ATOM 358 CG PRO A 22 -2.401 5.469 -14.329 1.00 0.00 C ATOM 359 CD PRO A 22 -1.592 6.692 -13.995 1.00 0.00 C ATOM 0 HA PRO A 22 -2.068 4.912 -11.498 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.869 3.981 -14.170 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.404 3.507 -13.469 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.422 5.293 -15.404 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.435 5.580 -14.004 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.802 6.864 -14.725 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.209 7.590 -13.975 1.00 0.00 H new ATOM 367 N ASN A 23 1.082 4.816 -11.811 1.00 0.00 N ATOM 368 CA ASN A 23 2.290 4.206 -11.259 1.00 0.00 C ATOM 369 C ASN A 23 2.156 3.946 -9.756 1.00 0.00 C ATOM 370 O ASN A 23 3.015 3.301 -9.163 1.00 0.00 O ATOM 371 CB ASN A 23 3.499 5.102 -11.507 1.00 0.00 C ATOM 372 CG ASN A 23 3.349 6.452 -10.854 1.00 0.00 C ATOM 373 OD1 ASN A 23 2.515 7.262 -11.254 1.00 0.00 O ATOM 374 ND2 ASN A 23 4.156 6.699 -9.836 1.00 0.00 N ATOM 0 H ASN A 23 1.239 5.704 -12.288 1.00 0.00 H new ATOM 0 HA ASN A 23 2.429 3.250 -11.764 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.396 4.613 -11.126 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.639 5.233 -12.580 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.102 7.593 -9.347 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.833 5.996 -9.539 1.00 0.00 H new ATOM 381 N ILE A 24 1.092 4.460 -9.136 1.00 0.00 N ATOM 382 CA ILE A 24 0.897 4.283 -7.698 1.00 0.00 C ATOM 383 C ILE A 24 -0.101 3.168 -7.378 1.00 0.00 C ATOM 384 O ILE A 24 -1.097 2.976 -8.076 1.00 0.00 O ATOM 385 CB ILE A 24 0.460 5.614 -7.001 1.00 0.00 C ATOM 386 CG1 ILE A 24 -0.723 5.402 -6.041 1.00 0.00 C ATOM 387 CG2 ILE A 24 0.117 6.687 -8.026 1.00 0.00 C ATOM 388 CD1 ILE A 24 -2.055 5.220 -6.739 1.00 0.00 C ATOM 0 H ILE A 24 0.360 4.996 -9.602 1.00 0.00 H new ATOM 0 HA ILE A 24 1.867 3.988 -7.298 1.00 0.00 H new ATOM 0 HB ILE A 24 1.312 5.952 -6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.525 4.526 -5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.790 6.257 -5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.183 7.600 -7.511 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.990 6.890 -8.646 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.702 6.340 -8.656 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.839 5.076 -5.995 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.278 6.105 -7.334 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.008 4.347 -7.390 1.00 0.00 H new ATOM 400 N ALA A 25 0.189 2.451 -6.294 1.00 0.00 N ATOM 401 CA ALA A 25 -0.648 1.357 -5.814 1.00 0.00 C ATOM 402 C ALA A 25 -0.386 1.134 -4.328 1.00 0.00 C ATOM 403 O ALA A 25 0.719 1.383 -3.852 1.00 0.00 O ATOM 404 CB ALA A 25 -0.377 0.086 -6.605 1.00 0.00 C ATOM 0 H ALA A 25 1.017 2.615 -5.721 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.696 1.620 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.011 -0.718 -6.231 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.595 0.260 -7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.670 -0.196 -6.493 1.00 0.00 H new ATOM 410 N ILE A 26 -1.399 0.692 -3.591 1.00 0.00 N ATOM 411 CA ILE A 26 -1.244 0.478 -2.153 1.00 0.00 C ATOM 412 C ILE A 26 -1.120 -1.001 -1.792 1.00 0.00 C ATOM 413 O ILE A 26 -1.978 -1.811 -2.138 1.00 0.00 O ATOM 414 CB ILE A 26 -2.422 1.089 -1.376 1.00 0.00 C ATOM 415 CG1 ILE A 26 -2.612 2.556 -1.768 1.00 0.00 C ATOM 416 CG2 ILE A 26 -2.208 0.955 0.127 1.00 0.00 C ATOM 417 CD1 ILE A 26 -3.895 2.815 -2.525 1.00 0.00 C ATOM 0 H ILE A 26 -2.326 0.477 -3.958 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.317 0.976 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.328 0.541 -1.636 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.601 3.169 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.768 2.873 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.054 1.394 0.656 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.124 -0.099 0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.293 1.474 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.965 3.875 -2.771 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.900 2.228 -3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.746 2.529 -1.907 1.00 0.00 H new ATOM 429 N ILE A 27 -0.048 -1.340 -1.074 1.00 0.00 N ATOM 430 CA ILE A 27 0.187 -2.710 -0.645 1.00 0.00 C ATOM 431 C ILE A 27 -0.325 -2.947 0.774 1.00 0.00 C ATOM 432 O ILE A 27 -0.150 -2.114 1.663 1.00 0.00 O ATOM 433 CB ILE A 27 1.684 -3.082 -0.708 1.00 0.00 C ATOM 434 CG1 ILE A 27 1.877 -4.570 -0.393 1.00 0.00 C ATOM 435 CG2 ILE A 27 2.491 -2.222 0.256 1.00 0.00 C ATOM 436 CD1 ILE A 27 2.369 -5.377 -1.574 1.00 0.00 C ATOM 0 H ILE A 27 0.670 -0.679 -0.779 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.364 -3.346 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 27 2.045 -2.892 -1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.588 -4.671 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.931 -4.986 -0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.544 -2.499 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.377 -1.171 -0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.131 -2.379 1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.483 -6.420 -1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.648 -5.307 -2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.331 -4.986 -1.906 1.00 0.00 H new ATOM 448 N ASP A 28 -0.935 -4.108 0.970 1.00 0.00 N ATOM 449 CA ASP A 28 -1.453 -4.505 2.270 1.00 0.00 C ATOM 450 C ASP A 28 -1.116 -5.970 2.523 1.00 0.00 C ATOM 451 O ASP A 28 -0.933 -6.736 1.580 1.00 0.00 O ATOM 452 CB ASP A 28 -2.964 -4.285 2.337 1.00 0.00 C ATOM 453 CG ASP A 28 -3.538 -4.622 3.699 1.00 0.00 C ATOM 454 OD1 ASP A 28 -3.509 -5.813 4.077 1.00 0.00 O ATOM 455 OD2 ASP A 28 -4.019 -3.697 4.386 1.00 0.00 O ATOM 0 H ASP A 28 -1.084 -4.799 0.234 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.989 -3.891 3.042 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.188 -3.245 2.099 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.451 -4.898 1.579 1.00 0.00 H new ATOM 460 N VAL A 29 -1.020 -6.358 3.786 1.00 0.00 N ATOM 461 CA VAL A 29 -0.688 -7.736 4.127 1.00 0.00 C ATOM 462 C VAL A 29 -1.392 -8.187 5.405 1.00 0.00 C ATOM 463 O VAL A 29 -1.367 -7.489 6.419 1.00 0.00 O ATOM 464 CB VAL A 29 0.836 -7.912 4.289 1.00 0.00 C ATOM 465 CG1 VAL A 29 1.402 -6.835 5.198 1.00 0.00 C ATOM 466 CG2 VAL A 29 1.174 -9.302 4.814 1.00 0.00 C ATOM 0 H VAL A 29 -1.166 -5.744 4.588 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.036 -8.359 3.303 1.00 0.00 H new ATOM 0 HB VAL A 29 1.297 -7.808 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.478 -6.974 5.301 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.203 -5.854 4.767 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.932 -6.903 6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.255 -9.399 4.919 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.701 -9.449 5.785 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.809 -10.054 4.115 1.00 0.00 H new ATOM 476 N ARG A 30 -2.012 -9.366 5.347 1.00 0.00 N ATOM 477 CA ARG A 30 -2.720 -9.922 6.498 1.00 0.00 C ATOM 478 C ARG A 30 -3.379 -11.260 6.159 1.00 0.00 C ATOM 479 O ARG A 30 -3.488 -12.132 7.021 1.00 0.00 O ATOM 480 CB ARG A 30 -3.785 -8.940 6.994 1.00 0.00 C ATOM 481 CG ARG A 30 -4.466 -9.386 8.276 1.00 0.00 C ATOM 482 CD ARG A 30 -3.662 -8.984 9.501 1.00 0.00 C ATOM 483 NE ARG A 30 -4.521 -8.598 10.617 1.00 0.00 N ATOM 484 CZ ARG A 30 -5.126 -9.470 11.422 1.00 0.00 C ATOM 485 NH1 ARG A 30 -4.966 -10.775 11.241 1.00 0.00 N ATOM 486 NH2 ARG A 30 -5.895 -9.034 12.411 1.00 0.00 N ATOM 0 H ARG A 30 -2.038 -9.954 4.514 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.984 -10.091 7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.323 -7.966 7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.539 -8.810 6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.462 -8.946 8.332 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.596 -10.468 8.263 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.024 -9.814 9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.004 -8.153 9.246 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.666 -7.603 10.790 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.377 -11.116 10.482 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.432 -11.437 11.861 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.022 -8.032 12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.359 -9.701 13.028 1.00 0.00 H new ATOM 500 N ASP A 31 -3.820 -11.406 4.904 1.00 0.00 N ATOM 501 CA ASP A 31 -4.484 -12.625 4.425 1.00 0.00 C ATOM 502 C ASP A 31 -5.404 -12.293 3.250 1.00 0.00 C ATOM 503 O ASP A 31 -5.755 -13.170 2.460 1.00 0.00 O ATOM 504 CB ASP A 31 -5.301 -13.300 5.537 1.00 0.00 C ATOM 505 CG ASP A 31 -6.147 -14.452 5.026 1.00 0.00 C ATOM 506 OD1 ASP A 31 -5.573 -15.513 4.704 1.00 0.00 O ATOM 507 OD2 ASP A 31 -7.384 -14.291 4.948 1.00 0.00 O ATOM 0 H ASP A 31 -3.727 -10.682 4.191 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.707 -13.318 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.624 -13.666 6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.949 -12.560 6.007 1.00 0.00 H new ATOM 512 N GLU A 32 -5.793 -11.020 3.147 1.00 0.00 N ATOM 513 CA GLU A 32 -6.671 -10.551 2.078 1.00 0.00 C ATOM 514 C GLU A 32 -8.118 -10.984 2.321 1.00 0.00 C ATOM 515 O GLU A 32 -9.014 -10.146 2.415 1.00 0.00 O ATOM 516 CB GLU A 32 -6.155 -11.030 0.703 1.00 0.00 C ATOM 517 CG GLU A 32 -7.235 -11.486 -0.273 1.00 0.00 C ATOM 518 CD GLU A 32 -7.471 -12.982 -0.222 1.00 0.00 C ATOM 519 OE1 GLU A 32 -6.504 -13.729 0.037 1.00 0.00 O ATOM 520 OE2 GLU A 32 -8.624 -13.409 -0.445 1.00 0.00 O ATOM 0 H GLU A 32 -5.509 -10.290 3.800 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.658 -9.461 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.590 -10.220 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.459 -11.854 0.861 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.166 -10.967 -0.047 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.949 -11.201 -1.285 1.00 0.00 H new ATOM 527 N GLU A 33 -8.346 -12.287 2.413 1.00 0.00 N ATOM 528 CA GLU A 33 -9.690 -12.808 2.635 1.00 0.00 C ATOM 529 C GLU A 33 -10.177 -12.530 4.056 1.00 0.00 C ATOM 530 O GLU A 33 -11.376 -12.379 4.289 1.00 0.00 O ATOM 531 CB GLU A 33 -9.725 -14.313 2.363 1.00 0.00 C ATOM 532 CG GLU A 33 -11.112 -14.923 2.484 1.00 0.00 C ATOM 533 CD GLU A 33 -12.005 -14.580 1.308 1.00 0.00 C ATOM 534 OE1 GLU A 33 -12.573 -13.468 1.297 1.00 0.00 O ATOM 535 OE2 GLU A 33 -12.136 -15.426 0.397 1.00 0.00 O ATOM 0 H GLU A 33 -7.622 -13.001 2.338 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.358 -12.296 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.341 -14.501 1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.055 -14.815 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.023 -16.006 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.580 -14.573 3.404 1.00 0.00 H new ATOM 542 N ARG A 34 -9.248 -12.481 5.006 1.00 0.00 N ATOM 543 CA ARG A 34 -9.600 -12.241 6.403 1.00 0.00 C ATOM 544 C ARG A 34 -9.728 -10.752 6.725 1.00 0.00 C ATOM 545 O ARG A 34 -10.302 -10.384 7.750 1.00 0.00 O ATOM 546 CB ARG A 34 -8.562 -12.884 7.325 1.00 0.00 C ATOM 547 CG ARG A 34 -8.982 -14.241 7.864 1.00 0.00 C ATOM 548 CD ARG A 34 -7.856 -14.905 8.641 1.00 0.00 C ATOM 549 NE ARG A 34 -8.003 -14.722 10.083 1.00 0.00 N ATOM 550 CZ ARG A 34 -7.029 -14.948 10.963 1.00 0.00 C ATOM 551 NH1 ARG A 34 -5.838 -15.365 10.552 1.00 0.00 N ATOM 552 NH2 ARG A 34 -7.247 -14.755 12.256 1.00 0.00 N ATOM 0 H ARG A 34 -8.250 -12.604 4.836 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.576 -12.696 6.570 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.624 -12.993 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.368 -12.214 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.852 -14.124 8.511 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.284 -14.884 7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.836 -15.970 8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.900 -14.491 8.319 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.905 -14.402 10.437 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.665 -15.514 9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.096 -15.536 11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.160 -14.434 12.577 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.501 -14.928 12.930 1.00 0.00 H new ATOM 566 N ASN A 35 -9.178 -9.894 5.870 1.00 0.00 N ATOM 567 CA ASN A 35 -9.228 -8.456 6.112 1.00 0.00 C ATOM 568 C ASN A 35 -10.533 -7.831 5.624 1.00 0.00 C ATOM 569 O ASN A 35 -11.198 -7.104 6.361 1.00 0.00 O ATOM 570 CB ASN A 35 -8.039 -7.768 5.438 1.00 0.00 C ATOM 571 CG ASN A 35 -7.242 -6.914 6.404 1.00 0.00 C ATOM 572 OD1 ASN A 35 -6.096 -7.228 6.729 1.00 0.00 O ATOM 573 ND2 ASN A 35 -7.847 -5.827 6.868 1.00 0.00 N ATOM 0 H ASN A 35 -8.697 -10.166 5.012 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.178 -8.308 7.191 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.386 -8.523 5.001 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.399 -7.145 4.619 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.361 -5.213 7.521 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.798 -5.606 6.571 1.00 0.00 H new ATOM 580 N TYR A 36 -10.878 -8.094 4.371 1.00 0.00 N ATOM 581 CA TYR A 36 -12.088 -7.531 3.774 1.00 0.00 C ATOM 582 C TYR A 36 -13.358 -8.016 4.465 1.00 0.00 C ATOM 583 O TYR A 36 -14.185 -7.212 4.894 1.00 0.00 O ATOM 584 CB TYR A 36 -12.160 -7.877 2.286 1.00 0.00 C ATOM 585 CG TYR A 36 -10.824 -7.838 1.582 1.00 0.00 C ATOM 586 CD1 TYR A 36 -9.880 -6.868 1.889 1.00 0.00 C ATOM 587 CD2 TYR A 36 -10.507 -8.777 0.610 1.00 0.00 C ATOM 588 CE1 TYR A 36 -8.659 -6.833 1.244 1.00 0.00 C ATOM 589 CE2 TYR A 36 -9.288 -8.749 -0.038 1.00 0.00 C ATOM 590 CZ TYR A 36 -8.368 -7.775 0.281 1.00 0.00 C ATOM 591 OH TYR A 36 -7.155 -7.743 -0.367 1.00 0.00 O ATOM 0 H TYR A 36 -10.339 -8.693 3.746 1.00 0.00 H new ATOM 0 HA TYR A 36 -12.027 -6.450 3.904 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -12.589 -8.873 2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -12.839 -7.181 1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.104 -6.129 2.644 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -11.226 -9.542 0.356 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.936 -6.071 1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -9.057 -9.487 -0.791 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.111 -8.477 -1.015 1.00 0.00 H new ATOM 601 N ASP A 37 -13.527 -9.330 4.543 1.00 0.00 N ATOM 602 CA ASP A 37 -14.723 -9.902 5.154 1.00 0.00 C ATOM 603 C ASP A 37 -15.969 -9.468 4.376 1.00 0.00 C ATOM 604 O ASP A 37 -17.081 -9.475 4.904 1.00 0.00 O ATOM 605 CB ASP A 37 -14.833 -9.470 6.619 1.00 0.00 C ATOM 606 CG ASP A 37 -14.734 -10.642 7.574 1.00 0.00 C ATOM 607 OD1 ASP A 37 -14.075 -11.642 7.221 1.00 0.00 O ATOM 608 OD2 ASP A 37 -15.315 -10.560 8.676 1.00 0.00 O ATOM 0 H ASP A 37 -12.858 -10.016 4.194 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.648 -10.989 5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.043 -8.753 6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.782 -8.957 6.774 1.00 0.00 H new ATOM 613 N GLY A 38 -15.761 -9.086 3.116 1.00 0.00 N ATOM 614 CA GLY A 38 -16.851 -8.643 2.261 1.00 0.00 C ATOM 615 C GLY A 38 -16.333 -8.125 0.932 1.00 0.00 C ATOM 616 O GLY A 38 -15.885 -8.904 0.092 1.00 0.00 O ATOM 0 H GLY A 38 -14.844 -9.076 2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -17.540 -9.470 2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.415 -7.858 2.765 1.00 0.00 H new ATOM 620 N HIS A 39 -16.361 -6.808 0.749 1.00 0.00 N ATOM 621 CA HIS A 39 -15.858 -6.196 -0.471 1.00 0.00 C ATOM 622 C HIS A 39 -14.918 -5.063 -0.089 1.00 0.00 C ATOM 623 O HIS A 39 -14.688 -4.827 1.097 1.00 0.00 O ATOM 624 CB HIS A 39 -17.012 -5.684 -1.345 1.00 0.00 C ATOM 625 CG HIS A 39 -16.968 -6.173 -2.759 1.00 0.00 C ATOM 626 ND1 HIS A 39 -17.529 -5.449 -3.784 1.00 0.00 N ATOM 627 CD2 HIS A 39 -16.431 -7.310 -3.264 1.00 0.00 C ATOM 628 CE1 HIS A 39 -17.323 -6.155 -4.881 1.00 0.00 C ATOM 629 NE2 HIS A 39 -16.660 -7.291 -4.615 1.00 0.00 N ATOM 0 H HIS A 39 -16.728 -6.146 1.433 1.00 0.00 H new ATOM 0 HA HIS A 39 -15.317 -6.938 -1.058 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -17.957 -5.988 -0.895 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -16.996 -4.594 -1.348 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -15.921 -8.083 -2.708 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -17.647 -5.856 -5.867 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -16.380 -8.004 -5.289 1.00 0.00 H new ATOM 637 N ILE A 40 -14.371 -4.363 -1.070 1.00 0.00 N ATOM 638 CA ILE A 40 -13.461 -3.266 -0.767 1.00 0.00 C ATOM 639 C ILE A 40 -13.123 -2.431 -2.000 1.00 0.00 C ATOM 640 O ILE A 40 -13.667 -2.633 -3.083 1.00 0.00 O ATOM 641 CB ILE A 40 -12.143 -3.760 -0.111 1.00 0.00 C ATOM 642 CG1 ILE A 40 -11.931 -5.266 -0.317 1.00 0.00 C ATOM 643 CG2 ILE A 40 -12.143 -3.430 1.375 1.00 0.00 C ATOM 644 CD1 ILE A 40 -10.536 -5.615 -0.787 1.00 0.00 C ATOM 0 H ILE A 40 -14.535 -4.528 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 40 -13.996 -2.637 -0.055 1.00 0.00 H new ATOM 0 HB ILE A 40 -11.317 -3.241 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -12.132 -5.786 0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -12.655 -5.631 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -11.214 -3.781 1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -12.226 -2.351 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -12.988 -3.921 1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -10.454 -6.695 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -10.339 -5.123 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -9.808 -5.279 -0.048 1.00 0.00 H new ATOM 656 N ALA A 41 -12.217 -1.486 -1.798 1.00 0.00 N ATOM 657 CA ALA A 41 -11.760 -0.579 -2.850 1.00 0.00 C ATOM 658 C ALA A 41 -10.261 -0.293 -2.730 1.00 0.00 C ATOM 659 O ALA A 41 -9.736 -0.234 -1.644 1.00 0.00 O ATOM 660 CB ALA A 41 -12.552 0.717 -2.816 1.00 0.00 C ATOM 0 H ALA A 41 -11.773 -1.323 -0.894 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.930 -1.069 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.199 1.380 -3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.609 0.501 -2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.417 1.201 -1.849 1.00 0.00 H new ATOM 666 N GLY A 42 -9.577 -0.132 -3.858 1.00 0.00 N ATOM 667 CA GLY A 42 -8.148 0.141 -3.848 1.00 0.00 C ATOM 668 C GLY A 42 -7.346 -0.717 -2.881 1.00 0.00 C ATOM 669 O GLY A 42 -7.894 -1.412 -2.028 1.00 0.00 O ATOM 0 H GLY A 42 -9.990 -0.186 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.756 -0.006 -4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.994 1.190 -3.596 1.00 0.00 H new ATOM 673 N SER A 43 -6.029 -0.642 -3.024 1.00 0.00 N ATOM 674 CA SER A 43 -5.101 -1.385 -2.168 1.00 0.00 C ATOM 675 C SER A 43 -5.323 -2.892 -2.251 1.00 0.00 C ATOM 676 O SER A 43 -6.447 -3.372 -2.138 1.00 0.00 O ATOM 677 CB SER A 43 -5.240 -0.922 -0.719 1.00 0.00 C ATOM 678 OG SER A 43 -5.640 0.436 -0.653 1.00 0.00 O ATOM 0 H SER A 43 -5.571 -0.068 -3.732 1.00 0.00 H new ATOM 0 HA SER A 43 -4.093 -1.179 -2.527 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.971 -1.545 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.290 -1.050 -0.200 1.00 0.00 H new ATOM 0 HG SER A 43 -5.880 0.662 0.270 1.00 0.00 H new ATOM 684 N LEU A 44 -4.233 -3.633 -2.440 1.00 0.00 N ATOM 685 CA LEU A 44 -4.299 -5.087 -2.537 1.00 0.00 C ATOM 686 C LEU A 44 -3.609 -5.752 -1.346 1.00 0.00 C ATOM 687 O LEU A 44 -2.430 -5.511 -1.085 1.00 0.00 O ATOM 688 CB LEU A 44 -3.652 -5.549 -3.847 1.00 0.00 C ATOM 689 CG LEU A 44 -3.612 -7.065 -4.075 1.00 0.00 C ATOM 690 CD1 LEU A 44 -2.471 -7.695 -3.290 1.00 0.00 C ATOM 691 CD2 LEU A 44 -4.941 -7.706 -3.701 1.00 0.00 C ATOM 0 H LEU A 44 -3.293 -3.248 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.348 -5.384 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.189 -5.090 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.631 -5.169 -3.879 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.438 -7.244 -5.136 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.459 -8.771 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.524 -7.264 -3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.611 -7.502 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.887 -8.781 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.153 -7.516 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.735 -7.281 -4.314 1.00 0.00 H new ATOM 703 N HIS A 45 -4.352 -6.595 -0.629 1.00 0.00 N ATOM 704 CA HIS A 45 -3.817 -7.302 0.531 1.00 0.00 C ATOM 705 C HIS A 45 -3.201 -8.633 0.111 1.00 0.00 C ATOM 706 O HIS A 45 -3.677 -9.278 -0.823 1.00 0.00 O ATOM 707 CB HIS A 45 -4.915 -7.554 1.568 1.00 0.00 C ATOM 708 CG HIS A 45 -5.565 -6.312 2.100 1.00 0.00 C ATOM 709 ND1 HIS A 45 -5.716 -5.154 1.362 1.00 0.00 N ATOM 710 CD2 HIS A 45 -6.117 -6.055 3.311 1.00 0.00 C ATOM 711 CE1 HIS A 45 -6.329 -4.244 2.097 1.00 0.00 C ATOM 712 NE2 HIS A 45 -6.583 -4.765 3.281 1.00 0.00 N ATOM 0 H HIS A 45 -5.329 -6.804 -0.833 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.045 -6.674 0.977 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.681 -8.187 1.120 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.488 -8.111 2.402 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.179 -6.739 4.145 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.580 -3.242 1.781 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.051 -4.286 4.051 1.00 0.00 H new ATOM 721 N TYR A 46 -2.143 -9.043 0.804 1.00 0.00 N ATOM 722 CA TYR A 46 -1.474 -10.297 0.489 1.00 0.00 C ATOM 723 C TYR A 46 -1.023 -11.029 1.755 1.00 0.00 C ATOM 724 O TYR A 46 -1.050 -10.477 2.854 1.00 0.00 O ATOM 725 CB TYR A 46 -0.280 -10.041 -0.438 1.00 0.00 C ATOM 726 CG TYR A 46 0.933 -9.467 0.259 1.00 0.00 C ATOM 727 CD1 TYR A 46 1.106 -8.095 0.391 1.00 0.00 C ATOM 728 CD2 TYR A 46 1.909 -10.302 0.783 1.00 0.00 C ATOM 729 CE1 TYR A 46 2.219 -7.574 1.025 1.00 0.00 C ATOM 730 CE2 TYR A 46 3.020 -9.791 1.419 1.00 0.00 C ATOM 731 CZ TYR A 46 3.173 -8.426 1.539 1.00 0.00 C ATOM 732 OH TYR A 46 4.282 -7.914 2.170 1.00 0.00 O ATOM 0 H TYR A 46 -1.734 -8.527 1.583 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.191 -10.939 -0.023 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.000 -10.978 -0.918 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -0.588 -9.357 -1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.359 -7.424 -0.008 1.00 0.00 H new ATOM 0 HD2 TYR A 46 1.796 -11.372 0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.340 -6.505 1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.768 -10.458 1.822 1.00 0.00 H new ATOM 0 HH TYR A 46 4.854 -8.649 2.474 1.00 0.00 H new ATOM 742 N ALA A 47 -0.619 -12.281 1.577 1.00 0.00 N ATOM 743 CA ALA A 47 -0.163 -13.127 2.676 1.00 0.00 C ATOM 744 C ALA A 47 1.123 -12.600 3.305 1.00 0.00 C ATOM 745 O ALA A 47 1.475 -11.433 3.153 1.00 0.00 O ATOM 746 CB ALA A 47 0.056 -14.548 2.175 1.00 0.00 C ATOM 0 H ALA A 47 -0.598 -12.740 0.666 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.937 -13.117 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.396 -15.176 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.880 -14.943 1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.809 -14.544 1.387 1.00 0.00 H new ATOM 752 N SER A 48 1.821 -13.485 4.013 1.00 0.00 N ATOM 753 CA SER A 48 3.073 -13.139 4.669 1.00 0.00 C ATOM 754 C SER A 48 3.787 -14.392 5.158 1.00 0.00 C ATOM 755 O SER A 48 4.553 -14.348 6.121 1.00 0.00 O ATOM 756 CB SER A 48 2.812 -12.189 5.839 1.00 0.00 C ATOM 757 OG SER A 48 1.658 -12.577 6.563 1.00 0.00 O ATOM 0 H SER A 48 1.535 -14.455 4.146 1.00 0.00 H new ATOM 0 HA SER A 48 3.714 -12.638 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.676 -12.180 6.504 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.686 -11.173 5.465 1.00 0.00 H new ATOM 0 HG SER A 48 1.514 -11.955 7.306 1.00 0.00 H new ATOM 763 N GLY A 49 3.545 -15.505 4.472 1.00 0.00 N ATOM 764 CA GLY A 49 4.187 -16.754 4.835 1.00 0.00 C ATOM 765 C GLY A 49 5.667 -16.728 4.522 1.00 0.00 C ATOM 766 O GLY A 49 6.448 -17.482 5.101 1.00 0.00 O ATOM 0 H GLY A 49 2.916 -15.563 3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.042 -16.943 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.715 -17.577 4.298 1.00 0.00 H new ATOM 770 N SER A 50 6.048 -15.844 3.605 1.00 0.00 N ATOM 771 CA SER A 50 7.438 -15.697 3.209 1.00 0.00 C ATOM 772 C SER A 50 7.970 -14.333 3.636 1.00 0.00 C ATOM 773 O SER A 50 9.035 -14.238 4.245 1.00 0.00 O ATOM 774 CB SER A 50 7.581 -15.864 1.695 1.00 0.00 C ATOM 775 OG SER A 50 7.467 -17.225 1.320 1.00 0.00 O ATOM 0 H SER A 50 5.406 -15.216 3.121 1.00 0.00 H new ATOM 0 HA SER A 50 8.022 -16.473 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.815 -15.278 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.546 -15.474 1.372 1.00 0.00 H new ATOM 0 HG SER A 50 7.241 -17.284 0.368 1.00 0.00 H new ATOM 781 N PHE A 51 7.224 -13.275 3.305 1.00 0.00 N ATOM 782 CA PHE A 51 7.620 -11.908 3.648 1.00 0.00 C ATOM 783 C PHE A 51 8.739 -11.418 2.753 1.00 0.00 C ATOM 784 O PHE A 51 9.056 -10.229 2.725 1.00 0.00 O ATOM 785 CB PHE A 51 8.059 -11.824 5.116 1.00 0.00 C ATOM 786 CG PHE A 51 7.156 -10.990 5.964 1.00 0.00 C ATOM 787 CD1 PHE A 51 5.822 -10.862 5.640 1.00 0.00 C ATOM 788 CD2 PHE A 51 7.642 -10.339 7.081 1.00 0.00 C ATOM 789 CE1 PHE A 51 4.978 -10.094 6.419 1.00 0.00 C ATOM 790 CE2 PHE A 51 6.808 -9.570 7.867 1.00 0.00 C ATOM 791 CZ PHE A 51 5.473 -9.445 7.536 1.00 0.00 C ATOM 0 H PHE A 51 6.341 -13.340 2.799 1.00 0.00 H new ATOM 0 HA PHE A 51 6.751 -11.268 3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.105 -12.831 5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.068 -11.414 5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.433 -11.367 4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.686 -10.433 7.342 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.935 -10.001 6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.199 -9.067 8.739 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.817 -8.842 8.147 1.00 0.00 H new ATOM 801 N ASP A 52 9.336 -12.340 2.036 1.00 0.00 N ATOM 802 CA ASP A 52 10.431 -12.020 1.141 1.00 0.00 C ATOM 803 C ASP A 52 10.124 -12.462 -0.281 1.00 0.00 C ATOM 804 O ASP A 52 10.699 -11.950 -1.237 1.00 0.00 O ATOM 805 CB ASP A 52 11.709 -12.699 1.626 1.00 0.00 C ATOM 806 CG ASP A 52 12.042 -12.359 3.063 1.00 0.00 C ATOM 807 OD1 ASP A 52 11.385 -12.911 3.971 1.00 0.00 O ATOM 808 OD2 ASP A 52 12.961 -11.543 3.282 1.00 0.00 O ATOM 0 H ASP A 52 9.081 -13.328 2.053 1.00 0.00 H new ATOM 0 HA ASP A 52 10.566 -10.938 1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.601 -13.779 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 52 12.539 -12.402 0.985 1.00 0.00 H new ATOM 813 N ASP A 53 9.209 -13.408 -0.422 1.00 0.00 N ATOM 814 CA ASP A 53 8.833 -13.895 -1.734 1.00 0.00 C ATOM 815 C ASP A 53 7.788 -12.980 -2.359 1.00 0.00 C ATOM 816 O ASP A 53 7.303 -13.243 -3.459 1.00 0.00 O ATOM 817 CB ASP A 53 8.291 -15.323 -1.636 1.00 0.00 C ATOM 818 CG ASP A 53 8.860 -16.232 -2.709 1.00 0.00 C ATOM 819 OD1 ASP A 53 9.311 -15.711 -3.750 1.00 0.00 O ATOM 820 OD2 ASP A 53 8.854 -17.464 -2.506 1.00 0.00 O ATOM 0 H ASP A 53 8.716 -13.850 0.354 1.00 0.00 H new ATOM 0 HA ASP A 53 9.719 -13.899 -2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.528 -15.732 -0.654 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.204 -15.303 -1.719 1.00 0.00 H new ATOM 825 N LYS A 54 7.427 -11.907 -1.648 1.00 0.00 N ATOM 826 CA LYS A 54 6.420 -10.980 -2.155 1.00 0.00 C ATOM 827 C LYS A 54 7.047 -9.697 -2.698 1.00 0.00 C ATOM 828 O LYS A 54 6.477 -9.039 -3.569 1.00 0.00 O ATOM 829 CB LYS A 54 5.421 -10.645 -1.044 1.00 0.00 C ATOM 830 CG LYS A 54 4.216 -11.583 -0.968 1.00 0.00 C ATOM 831 CD LYS A 54 4.535 -12.995 -1.448 1.00 0.00 C ATOM 832 CE LYS A 54 4.174 -13.185 -2.915 1.00 0.00 C ATOM 833 NZ LYS A 54 3.409 -14.443 -3.142 1.00 0.00 N ATOM 0 H LYS A 54 7.812 -11.664 -0.735 1.00 0.00 H new ATOM 0 HA LYS A 54 5.904 -11.468 -2.982 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.942 -10.666 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.063 -9.626 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.859 -11.626 0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.405 -11.174 -1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.597 -13.197 -1.305 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.989 -13.718 -0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.583 -12.335 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.085 -13.201 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.183 -14.534 -4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.982 -15.257 -2.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.527 -14.417 -2.591 1.00 0.00 H new ATOM 847 N ILE A 55 8.213 -9.334 -2.176 1.00 0.00 N ATOM 848 CA ILE A 55 8.889 -8.118 -2.609 1.00 0.00 C ATOM 849 C ILE A 55 9.885 -8.380 -3.746 1.00 0.00 C ATOM 850 O ILE A 55 10.314 -7.447 -4.421 1.00 0.00 O ATOM 851 CB ILE A 55 9.601 -7.429 -1.433 1.00 0.00 C ATOM 852 CG1 ILE A 55 8.635 -7.243 -0.262 1.00 0.00 C ATOM 853 CG2 ILE A 55 10.187 -6.098 -1.865 1.00 0.00 C ATOM 854 CD1 ILE A 55 8.739 -8.324 0.789 1.00 0.00 C ATOM 0 H ILE A 55 8.707 -9.861 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 55 8.115 -7.453 -2.992 1.00 0.00 H new ATOM 0 HB ILE A 55 10.421 -8.067 -1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.825 -6.276 0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.615 -7.218 -0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.686 -5.628 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.908 -6.261 -2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.389 -5.448 -2.222 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.024 -8.125 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.520 -9.292 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.748 -8.336 1.200 1.00 0.00 H new ATOM 866 N SER A 56 10.211 -9.652 -3.986 1.00 0.00 N ATOM 867 CA SER A 56 11.112 -10.024 -5.089 1.00 0.00 C ATOM 868 C SER A 56 10.267 -10.106 -6.319 1.00 0.00 C ATOM 869 O SER A 56 10.698 -9.928 -7.457 1.00 0.00 O ATOM 870 CB SER A 56 11.784 -11.383 -4.846 1.00 0.00 C ATOM 871 OG SER A 56 10.818 -12.387 -4.580 1.00 0.00 O ATOM 0 H SER A 56 9.869 -10.441 -3.437 1.00 0.00 H new ATOM 0 HA SER A 56 11.908 -9.285 -5.180 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.373 -11.663 -5.719 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.475 -11.306 -4.006 1.00 0.00 H new ATOM 0 HG SER A 56 11.269 -13.244 -4.430 1.00 0.00 H new ATOM 877 N HIS A 57 9.038 -10.360 -6.003 1.00 0.00 N ATOM 878 CA HIS A 57 7.962 -10.481 -6.924 1.00 0.00 C ATOM 879 C HIS A 57 7.602 -9.096 -7.444 1.00 0.00 C ATOM 880 O HIS A 57 7.378 -8.893 -8.639 1.00 0.00 O ATOM 881 CB HIS A 57 6.835 -11.103 -6.127 1.00 0.00 C ATOM 882 CG HIS A 57 5.577 -11.340 -6.904 1.00 0.00 C ATOM 883 ND1 HIS A 57 4.424 -11.842 -6.339 1.00 0.00 N ATOM 884 CD2 HIS A 57 5.296 -11.145 -8.214 1.00 0.00 C ATOM 885 CE1 HIS A 57 3.489 -11.947 -7.267 1.00 0.00 C ATOM 886 NE2 HIS A 57 3.993 -11.529 -8.413 1.00 0.00 N ATOM 0 H HIS A 57 8.745 -10.496 -5.036 1.00 0.00 H new ATOM 0 HA HIS A 57 8.196 -11.092 -7.796 1.00 0.00 H new ATOM 0 HB2 HIS A 57 7.178 -12.053 -5.718 1.00 0.00 H new ATOM 0 HB3 HIS A 57 6.607 -10.456 -5.280 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.971 -10.759 -8.963 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.484 -12.312 -7.114 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.495 -11.497 -9.303 1.00 0.00 H new ATOM 895 N LEU A 58 7.594 -8.136 -6.521 1.00 0.00 N ATOM 896 CA LEU A 58 7.310 -6.752 -6.860 1.00 0.00 C ATOM 897 C LEU A 58 8.557 -6.113 -7.458 1.00 0.00 C ATOM 898 O LEU A 58 8.470 -5.250 -8.331 1.00 0.00 O ATOM 899 CB LEU A 58 6.852 -5.977 -5.622 1.00 0.00 C ATOM 900 CG LEU A 58 5.336 -5.840 -5.468 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.662 -7.199 -5.593 1.00 0.00 C ATOM 902 CD2 LEU A 58 4.991 -5.196 -4.134 1.00 0.00 C ATOM 0 H LEU A 58 7.782 -8.297 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 58 6.504 -6.722 -7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.249 -6.471 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.290 -4.980 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 58 4.966 -5.197 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.584 -7.082 -5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.881 -7.625 -6.572 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.038 -7.864 -4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.909 -5.107 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.374 -5.814 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.443 -4.205 -4.081 1.00 0.00 H new ATOM 914 N VAL A 59 9.723 -6.571 -6.998 1.00 0.00 N ATOM 915 CA VAL A 59 10.991 -6.069 -7.504 1.00 0.00 C ATOM 916 C VAL A 59 11.181 -6.528 -8.946 1.00 0.00 C ATOM 917 O VAL A 59 11.706 -5.796 -9.784 1.00 0.00 O ATOM 918 CB VAL A 59 12.179 -6.545 -6.626 1.00 0.00 C ATOM 919 CG1 VAL A 59 13.250 -7.246 -7.452 1.00 0.00 C ATOM 920 CG2 VAL A 59 12.774 -5.374 -5.859 1.00 0.00 C ATOM 0 H VAL A 59 9.810 -7.287 -6.277 1.00 0.00 H new ATOM 0 HA VAL A 59 10.970 -4.980 -7.468 1.00 0.00 H new ATOM 0 HB VAL A 59 11.791 -7.273 -5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.063 -7.563 -6.799 1.00 0.00 H new ATOM 0 HG12 VAL A 59 12.818 -8.118 -7.943 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.636 -6.559 -8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.606 -5.724 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.132 -4.622 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.011 -4.935 -5.216 1.00 0.00 H new ATOM 930 N GLN A 60 10.733 -7.748 -9.222 1.00 0.00 N ATOM 931 CA GLN A 60 10.832 -8.315 -10.560 1.00 0.00 C ATOM 932 C GLN A 60 9.842 -7.636 -11.499 1.00 0.00 C ATOM 933 O GLN A 60 10.037 -7.619 -12.714 1.00 0.00 O ATOM 934 CB GLN A 60 10.568 -9.822 -10.522 1.00 0.00 C ATOM 935 CG GLN A 60 11.827 -10.657 -10.353 1.00 0.00 C ATOM 936 CD GLN A 60 12.706 -10.643 -11.588 1.00 0.00 C ATOM 937 OE1 GLN A 60 13.604 -9.667 -11.663 1.00 0.00 O flip ATOM 938 NE2 GLN A 60 12.582 -11.500 -12.463 1.00 0.00 N flip ATOM 0 H GLN A 60 10.297 -8.363 -8.535 1.00 0.00 H new ATOM 0 HA GLN A 60 11.842 -8.145 -10.932 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.884 -10.042 -9.703 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.067 -10.118 -11.444 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.396 -10.282 -9.502 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.548 -11.685 -10.122 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.878 -12.232 -12.364 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.183 -11.478 -13.287 1.00 0.00 H new ATOM 947 N ASN A 61 8.776 -7.077 -10.929 1.00 0.00 N ATOM 948 CA ASN A 61 7.759 -6.402 -11.721 1.00 0.00 C ATOM 949 C ASN A 61 7.649 -4.927 -11.335 1.00 0.00 C ATOM 950 O ASN A 61 6.549 -4.394 -11.191 1.00 0.00 O ATOM 951 CB ASN A 61 6.409 -7.097 -11.546 1.00 0.00 C ATOM 952 CG ASN A 61 6.321 -8.392 -12.331 1.00 0.00 C ATOM 953 OD1 ASN A 61 7.233 -9.320 -12.056 1.00 0.00 O flip ATOM 954 ND2 ASN A 61 5.443 -8.559 -13.179 1.00 0.00 N flip ATOM 0 H ASN A 61 8.598 -7.080 -9.925 1.00 0.00 H new ATOM 0 HA ASN A 61 8.054 -6.455 -12.769 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.244 -7.304 -10.489 1.00 0.00 H new ATOM 0 HB3 ASN A 61 5.613 -6.425 -11.867 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.762 -7.822 -13.360 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.397 -9.435 -13.700 1.00 0.00 H new ATOM 961 N VAL A 62 8.797 -4.272 -11.176 1.00 0.00 N ATOM 962 CA VAL A 62 8.828 -2.857 -10.815 1.00 0.00 C ATOM 963 C VAL A 62 8.060 -2.021 -11.833 1.00 0.00 C ATOM 964 O VAL A 62 7.468 -0.997 -11.492 1.00 0.00 O ATOM 965 CB VAL A 62 10.274 -2.326 -10.722 1.00 0.00 C ATOM 966 CG1 VAL A 62 10.284 -0.862 -10.307 1.00 0.00 C ATOM 967 CG2 VAL A 62 11.095 -3.168 -9.756 1.00 0.00 C ATOM 0 H VAL A 62 9.717 -4.698 -11.291 1.00 0.00 H new ATOM 0 HA VAL A 62 8.356 -2.770 -9.836 1.00 0.00 H new ATOM 0 HB VAL A 62 10.730 -2.401 -11.709 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.313 -0.508 -10.247 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.739 -0.271 -11.043 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.807 -0.757 -9.332 1.00 0.00 H new ATOM 0 HG21 VAL A 62 12.111 -2.777 -9.705 1.00 0.00 H new ATOM 0 HG22 VAL A 62 10.642 -3.131 -8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.121 -4.200 -10.105 1.00 0.00 H new ATOM 977 N LYS A 63 8.076 -2.469 -13.083 1.00 0.00 N ATOM 978 CA LYS A 63 7.382 -1.768 -14.159 1.00 0.00 C ATOM 979 C LYS A 63 7.926 -0.356 -14.354 1.00 0.00 C ATOM 980 O LYS A 63 7.276 0.480 -14.979 1.00 0.00 O ATOM 981 CB LYS A 63 5.883 -1.702 -13.869 1.00 0.00 C ATOM 982 CG LYS A 63 5.169 -3.037 -14.024 1.00 0.00 C ATOM 983 CD LYS A 63 3.795 -3.011 -13.371 1.00 0.00 C ATOM 984 CE LYS A 63 3.502 -4.309 -12.637 1.00 0.00 C ATOM 985 NZ LYS A 63 3.903 -4.241 -11.204 1.00 0.00 N ATOM 0 H LYS A 63 8.562 -3.316 -13.378 1.00 0.00 H new ATOM 0 HA LYS A 63 7.553 -2.329 -15.077 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.735 -1.337 -12.853 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.424 -0.975 -14.539 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.066 -3.275 -15.083 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.771 -3.828 -13.576 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.739 -2.176 -12.672 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.033 -2.842 -14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.437 -4.532 -12.706 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.031 -5.128 -13.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.271 -4.843 -10.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.883 -4.575 -11.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.835 -3.258 -10.871 1.00 0.00 H new ATOM 999 N ASP A 64 9.117 -0.093 -13.820 1.00 0.00 N ATOM 1000 CA ASP A 64 9.735 1.226 -13.939 1.00 0.00 C ATOM 1001 C ASP A 64 8.933 2.261 -13.155 1.00 0.00 C ATOM 1002 O ASP A 64 9.408 2.805 -12.158 1.00 0.00 O ATOM 1003 CB ASP A 64 9.833 1.645 -15.408 1.00 0.00 C ATOM 1004 CG ASP A 64 10.367 0.536 -16.291 1.00 0.00 C ATOM 1005 OD1 ASP A 64 11.535 0.136 -16.101 1.00 0.00 O ATOM 1006 OD2 ASP A 64 9.618 0.065 -17.173 1.00 0.00 O ATOM 0 H ASP A 64 9.672 -0.774 -13.302 1.00 0.00 H new ATOM 0 HA ASP A 64 10.741 1.170 -13.524 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.848 1.946 -15.764 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.482 2.517 -15.492 1.00 0.00 H new ATOM 1011 N LYS A 65 7.709 2.510 -13.605 1.00 0.00 N ATOM 1012 CA LYS A 65 6.822 3.458 -12.943 1.00 0.00 C ATOM 1013 C LYS A 65 6.151 2.784 -11.759 1.00 0.00 C ATOM 1014 O LYS A 65 5.296 1.916 -11.936 1.00 0.00 O ATOM 1015 CB LYS A 65 5.776 3.980 -13.927 1.00 0.00 C ATOM 1016 CG LYS A 65 5.109 2.889 -14.755 1.00 0.00 C ATOM 1017 CD LYS A 65 5.709 2.798 -16.151 1.00 0.00 C ATOM 1018 CE LYS A 65 5.095 3.820 -17.095 1.00 0.00 C ATOM 1019 NZ LYS A 65 4.282 3.174 -18.163 1.00 0.00 N ATOM 0 H LYS A 65 7.307 2.066 -14.430 1.00 0.00 H new ATOM 0 HA LYS A 65 7.405 4.306 -12.584 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.009 4.522 -13.374 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.249 4.695 -14.600 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.217 1.930 -14.249 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.040 3.091 -14.830 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.786 2.955 -16.095 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.554 1.795 -16.549 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.468 4.507 -16.527 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.887 4.414 -17.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.881 3.905 -18.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.886 2.537 -18.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.510 2.628 -17.729 1.00 0.00 H new ATOM 1033 N ASP A 66 6.553 3.160 -10.550 1.00 0.00 N ATOM 1034 CA ASP A 66 5.982 2.540 -9.362 1.00 0.00 C ATOM 1035 C ASP A 66 6.057 3.403 -8.103 1.00 0.00 C ATOM 1036 O ASP A 66 7.135 3.719 -7.600 1.00 0.00 O ATOM 1037 CB ASP A 66 6.673 1.201 -9.100 1.00 0.00 C ATOM 1038 CG ASP A 66 5.724 0.156 -8.545 1.00 0.00 C ATOM 1039 OD1 ASP A 66 4.875 0.514 -7.702 1.00 0.00 O ATOM 1040 OD2 ASP A 66 5.831 -1.019 -8.955 1.00 0.00 O ATOM 0 H ASP A 66 7.257 3.876 -10.369 1.00 0.00 H new ATOM 0 HA ASP A 66 4.922 2.404 -9.575 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.110 0.834 -10.029 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.494 1.351 -8.399 1.00 0.00 H new ATOM 1045 N THR A 67 4.878 3.691 -7.570 1.00 0.00 N ATOM 1046 CA THR A 67 4.706 4.421 -6.320 1.00 0.00 C ATOM 1047 C THR A 67 3.944 3.473 -5.396 1.00 0.00 C ATOM 1048 O THR A 67 2.953 2.880 -5.821 1.00 0.00 O ATOM 1049 CB THR A 67 3.903 5.706 -6.546 1.00 0.00 C ATOM 1050 OG1 THR A 67 4.657 6.653 -7.280 1.00 0.00 O ATOM 1051 CG2 THR A 67 3.460 6.373 -5.260 1.00 0.00 C ATOM 0 H THR A 67 3.995 3.418 -8.003 1.00 0.00 H new ATOM 0 HA THR A 67 5.665 4.720 -5.896 1.00 0.00 H new ATOM 0 HB THR A 67 3.018 5.393 -7.100 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.589 6.356 -7.337 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.897 7.276 -5.494 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.829 5.688 -4.694 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.335 6.635 -4.666 1.00 0.00 H new ATOM 1059 N LEU A 68 4.399 3.274 -4.171 1.00 0.00 N ATOM 1060 CA LEU A 68 3.722 2.334 -3.287 1.00 0.00 C ATOM 1061 C LEU A 68 3.283 2.968 -1.978 1.00 0.00 C ATOM 1062 O LEU A 68 4.076 3.584 -1.272 1.00 0.00 O ATOM 1063 CB LEU A 68 4.644 1.133 -3.018 1.00 0.00 C ATOM 1064 CG LEU A 68 4.280 0.245 -1.822 1.00 0.00 C ATOM 1065 CD1 LEU A 68 4.731 0.889 -0.519 1.00 0.00 C ATOM 1066 CD2 LEU A 68 2.785 -0.044 -1.795 1.00 0.00 C ATOM 0 H LEU A 68 5.215 3.737 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 68 2.813 2.004 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.662 0.510 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.657 1.507 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 68 4.804 -0.705 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.464 0.243 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.812 1.030 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.241 1.856 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.552 -0.676 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.235 0.893 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.497 -0.557 -2.713 1.00 0.00 H new ATOM 1078 N VAL A 69 2.016 2.754 -1.640 1.00 0.00 N ATOM 1079 CA VAL A 69 1.451 3.239 -0.393 1.00 0.00 C ATOM 1080 C VAL A 69 1.133 2.028 0.465 1.00 0.00 C ATOM 1081 O VAL A 69 0.487 1.099 -0.007 1.00 0.00 O ATOM 1082 CB VAL A 69 0.170 4.075 -0.608 1.00 0.00 C ATOM 1083 CG1 VAL A 69 0.084 5.187 0.427 1.00 0.00 C ATOM 1084 CG2 VAL A 69 0.120 4.647 -2.018 1.00 0.00 C ATOM 0 H VAL A 69 1.356 2.240 -2.224 1.00 0.00 H new ATOM 0 HA VAL A 69 2.175 3.897 0.089 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.690 3.418 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.824 5.768 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.061 4.753 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.953 5.838 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.792 5.231 -2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.986 5.288 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.130 3.832 -2.742 1.00 0.00 H new ATOM 1094 N PHE A 70 1.616 1.987 1.697 1.00 0.00 N ATOM 1095 CA PHE A 70 1.375 0.803 2.520 1.00 0.00 C ATOM 1096 C PHE A 70 0.268 1.003 3.543 1.00 0.00 C ATOM 1097 O PHE A 70 -0.019 2.124 3.964 1.00 0.00 O ATOM 1098 CB PHE A 70 2.665 0.374 3.226 1.00 0.00 C ATOM 1099 CG PHE A 70 3.207 1.393 4.188 1.00 0.00 C ATOM 1100 CD1 PHE A 70 2.533 1.687 5.364 1.00 0.00 C ATOM 1101 CD2 PHE A 70 4.396 2.051 3.921 1.00 0.00 C ATOM 1102 CE1 PHE A 70 3.034 2.619 6.253 1.00 0.00 C ATOM 1103 CE2 PHE A 70 4.903 2.983 4.806 1.00 0.00 C ATOM 1104 CZ PHE A 70 4.221 3.268 5.973 1.00 0.00 C ATOM 0 H PHE A 70 2.158 2.728 2.141 1.00 0.00 H new ATOM 0 HA PHE A 70 1.043 0.017 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.480 -0.555 3.764 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.424 0.161 2.474 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.605 1.181 5.588 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.933 1.833 3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.499 2.840 7.165 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.832 3.488 4.586 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.615 3.997 6.665 1.00 0.00 H new ATOM 1114 N HIS A 71 -0.336 -0.126 3.937 1.00 0.00 N ATOM 1115 CA HIS A 71 -1.423 -0.159 4.930 1.00 0.00 C ATOM 1116 C HIS A 71 -2.796 -0.233 4.264 1.00 0.00 C ATOM 1117 O HIS A 71 -3.466 -1.262 4.344 1.00 0.00 O ATOM 1118 CB HIS A 71 -1.361 1.042 5.878 1.00 0.00 C ATOM 1119 CG HIS A 71 -1.958 0.766 7.223 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -3.225 0.906 7.675 1.00 0.00 N flip ATOM 1121 CD2 HIS A 71 -1.228 0.281 8.286 1.00 0.00 C flip ATOM 1122 CE1 HIS A 71 -3.238 0.507 8.986 1.00 0.00 C flip ATOM 1123 NE2 HIS A 71 -2.021 0.134 9.333 1.00 0.00 N flip ATOM 0 H HIS A 71 -0.085 -1.046 3.576 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.279 -1.066 5.517 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.321 1.343 6.005 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.883 1.883 5.422 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.172 0.056 8.267 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.104 0.499 9.631 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.740 -0.209 10.252 1.00 0.00 H new ATOM 1132 N SER A 72 -3.207 0.865 3.616 1.00 0.00 N ATOM 1133 CA SER A 72 -4.507 0.950 2.931 1.00 0.00 C ATOM 1134 C SER A 72 -5.543 1.673 3.787 1.00 0.00 C ATOM 1135 O SER A 72 -6.611 2.038 3.296 1.00 0.00 O ATOM 1136 CB SER A 72 -5.045 -0.431 2.538 1.00 0.00 C ATOM 1137 OG SER A 72 -6.194 -0.313 1.718 1.00 0.00 O ATOM 0 H SER A 72 -2.651 1.718 3.551 1.00 0.00 H new ATOM 0 HA SER A 72 -4.334 1.523 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.272 -0.989 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.291 -0.998 3.436 1.00 0.00 H new ATOM 0 HG SER A 72 -6.696 0.489 1.972 1.00 0.00 H new ATOM 1143 N ALA A 73 -5.226 1.881 5.061 1.00 0.00 N ATOM 1144 CA ALA A 73 -6.141 2.565 5.969 1.00 0.00 C ATOM 1145 C ALA A 73 -5.575 3.913 6.412 1.00 0.00 C ATOM 1146 O ALA A 73 -5.912 4.949 5.841 1.00 0.00 O ATOM 1147 CB ALA A 73 -6.465 1.686 7.172 1.00 0.00 C ATOM 0 H ALA A 73 -4.347 1.587 5.487 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.068 2.757 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.149 2.215 7.836 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.932 0.762 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.546 1.452 7.709 1.00 0.00 H new ATOM 1153 N LEU A 74 -4.717 3.901 7.429 1.00 0.00 N ATOM 1154 CA LEU A 74 -4.122 5.136 7.927 1.00 0.00 C ATOM 1155 C LEU A 74 -2.990 4.848 8.912 1.00 0.00 C ATOM 1156 O LEU A 74 -2.796 5.582 9.879 1.00 0.00 O ATOM 1157 CB LEU A 74 -5.196 6.004 8.599 1.00 0.00 C ATOM 1158 CG LEU A 74 -4.775 7.437 8.975 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -4.523 7.547 10.472 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -3.542 7.876 8.193 1.00 0.00 C ATOM 0 H LEU A 74 -4.421 3.057 7.920 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.702 5.675 7.078 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.056 6.064 7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.530 5.496 9.504 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.595 8.104 8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.227 8.567 10.717 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.434 7.294 11.014 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.727 6.859 10.759 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.271 8.892 8.481 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.713 7.203 8.412 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.759 7.848 7.125 1.00 0.00 H new ATOM 1172 N SER A 75 -2.242 3.775 8.657 1.00 0.00 N ATOM 1173 CA SER A 75 -1.126 3.391 9.521 1.00 0.00 C ATOM 1174 C SER A 75 -1.497 3.515 10.997 1.00 0.00 C ATOM 1175 O SER A 75 -0.731 4.052 11.798 1.00 0.00 O ATOM 1176 CB SER A 75 0.101 4.255 9.219 1.00 0.00 C ATOM 1177 OG SER A 75 -0.278 5.568 8.847 1.00 0.00 O ATOM 0 H SER A 75 -2.388 3.156 7.859 1.00 0.00 H new ATOM 0 HA SER A 75 -0.891 2.347 9.316 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.746 4.294 10.096 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.681 3.800 8.417 1.00 0.00 H new ATOM 0 HG SER A 75 -0.842 5.957 9.548 1.00 0.00 H new ATOM 1183 N GLN A 76 -2.677 3.014 11.349 1.00 0.00 N ATOM 1184 CA GLN A 76 -3.154 3.069 12.727 1.00 0.00 C ATOM 1185 C GLN A 76 -2.135 2.466 13.690 1.00 0.00 C ATOM 1186 O GLN A 76 -2.124 2.791 14.877 1.00 0.00 O ATOM 1187 CB GLN A 76 -4.488 2.331 12.855 1.00 0.00 C ATOM 1188 CG GLN A 76 -4.409 0.859 12.488 1.00 0.00 C ATOM 1189 CD GLN A 76 -5.677 0.356 11.827 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -6.080 1.010 10.743 1.00 0.00 O flip ATOM 1191 NE2 GLN A 76 -6.289 -0.610 12.286 1.00 0.00 N flip ATOM 0 H GLN A 76 -3.321 2.565 10.698 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.294 4.117 12.990 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.847 2.422 13.880 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.225 2.817 12.215 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.565 0.700 11.816 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.215 0.274 13.387 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.943 -1.083 13.121 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.141 -0.937 11.831 1.00 0.00 H new ATOM 1200 N VAL A 77 -1.281 1.585 13.173 1.00 0.00 N ATOM 1201 CA VAL A 77 -0.260 0.933 13.990 1.00 0.00 C ATOM 1202 C VAL A 77 0.570 -0.051 13.168 1.00 0.00 C ATOM 1203 O VAL A 77 1.736 -0.299 13.472 1.00 0.00 O ATOM 1204 CB VAL A 77 -0.879 0.179 15.191 1.00 0.00 C ATOM 1205 CG1 VAL A 77 -0.824 1.034 16.448 1.00 0.00 C ATOM 1206 CG2 VAL A 77 -2.309 -0.248 14.888 1.00 0.00 C ATOM 0 H VAL A 77 -1.276 1.306 12.192 1.00 0.00 H new ATOM 0 HA VAL A 77 0.385 1.729 14.363 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.290 -0.722 15.365 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.264 0.485 17.281 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.214 1.274 16.680 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.382 1.956 16.286 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.721 -0.776 15.748 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.915 0.633 14.679 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.316 -0.908 14.020 1.00 0.00 H new ATOM 1216 N ARG A 78 -0.046 -0.622 12.137 1.00 0.00 N ATOM 1217 CA ARG A 78 0.627 -1.591 11.277 1.00 0.00 C ATOM 1218 C ARG A 78 1.577 -0.922 10.291 1.00 0.00 C ATOM 1219 O ARG A 78 2.528 -1.550 9.840 1.00 0.00 O ATOM 1220 CB ARG A 78 -0.394 -2.449 10.524 1.00 0.00 C ATOM 1221 CG ARG A 78 -1.628 -2.794 11.345 1.00 0.00 C ATOM 1222 CD ARG A 78 -2.037 -4.245 11.157 1.00 0.00 C ATOM 1223 NE ARG A 78 -0.949 -5.169 11.471 1.00 0.00 N ATOM 1224 CZ ARG A 78 -1.105 -6.484 11.592 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -2.302 -7.035 11.430 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -0.063 -7.253 11.876 1.00 0.00 N ATOM 0 H ARG A 78 -1.013 -0.430 11.876 1.00 0.00 H new ATOM 0 HA ARG A 78 1.223 -2.232 11.927 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.704 -1.921 9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.087 -3.373 10.203 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.428 -2.605 12.400 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.452 -2.142 11.055 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.894 -4.465 11.794 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.358 -4.400 10.127 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.015 -4.782 11.605 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.108 -6.449 11.212 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.416 -8.044 11.524 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.859 -6.836 12.002 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.184 -8.262 11.969 1.00 0.00 H new ATOM 1240 N GLY A 79 1.323 0.345 9.952 1.00 0.00 N ATOM 1241 CA GLY A 79 2.193 1.053 9.015 1.00 0.00 C ATOM 1242 C GLY A 79 3.659 0.717 9.235 1.00 0.00 C ATOM 1243 O GLY A 79 4.327 0.204 8.338 1.00 0.00 O ATOM 0 H GLY A 79 0.537 0.891 10.305 1.00 0.00 H new ATOM 0 HA2 GLY A 79 1.911 0.796 7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.047 2.127 9.125 1.00 0.00 H new ATOM 1247 N PRO A 80 4.176 0.975 10.451 1.00 0.00 N ATOM 1248 CA PRO A 80 5.561 0.666 10.794 1.00 0.00 C ATOM 1249 C PRO A 80 5.859 -0.799 10.521 1.00 0.00 C ATOM 1250 O PRO A 80 6.962 -1.156 10.109 1.00 0.00 O ATOM 1251 CB PRO A 80 5.643 0.966 12.294 1.00 0.00 C ATOM 1252 CG PRO A 80 4.532 1.924 12.552 1.00 0.00 C ATOM 1253 CD PRO A 80 3.441 1.560 11.585 1.00 0.00 C ATOM 0 HA PRO A 80 6.282 1.240 10.212 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.528 0.058 12.886 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.608 1.399 12.559 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.182 1.848 13.582 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.860 2.952 12.401 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.739 0.848 12.020 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.863 2.433 11.283 1.00 0.00 H new ATOM 1261 N THR A 81 4.846 -1.644 10.724 1.00 0.00 N ATOM 1262 CA THR A 81 4.984 -3.068 10.466 1.00 0.00 C ATOM 1263 C THR A 81 5.200 -3.292 8.975 1.00 0.00 C ATOM 1264 O THR A 81 5.970 -4.161 8.569 1.00 0.00 O ATOM 1265 CB THR A 81 3.738 -3.818 10.934 1.00 0.00 C ATOM 1266 OG1 THR A 81 3.196 -3.214 12.095 1.00 0.00 O ATOM 1267 CG2 THR A 81 3.999 -5.274 11.253 1.00 0.00 C ATOM 0 H THR A 81 3.927 -1.363 11.065 1.00 0.00 H new ATOM 0 HA THR A 81 5.842 -3.449 11.019 1.00 0.00 H new ATOM 0 HB THR A 81 3.040 -3.766 10.099 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.511 -3.800 12.479 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.073 -5.747 11.579 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.371 -5.781 10.362 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.742 -5.345 12.048 1.00 0.00 H new ATOM 1275 N CYS A 82 4.520 -2.473 8.166 1.00 0.00 N ATOM 1276 CA CYS A 82 4.639 -2.549 6.717 1.00 0.00 C ATOM 1277 C CYS A 82 6.087 -2.335 6.324 1.00 0.00 C ATOM 1278 O CYS A 82 6.646 -3.074 5.514 1.00 0.00 O ATOM 1279 CB CYS A 82 3.754 -1.494 6.048 1.00 0.00 C ATOM 1280 SG CYS A 82 2.041 -1.493 6.625 1.00 0.00 S ATOM 0 H CYS A 82 3.881 -1.750 8.497 1.00 0.00 H new ATOM 0 HA CYS A 82 4.309 -3.533 6.384 1.00 0.00 H new ATOM 0 HB2 CYS A 82 4.186 -0.509 6.224 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.763 -1.658 4.970 1.00 0.00 H new ATOM 0 HG CYS A 82 2.018 -1.645 7.916 1.00 0.00 H new ATOM 1286 N ALA A 83 6.696 -1.326 6.933 1.00 0.00 N ATOM 1287 CA ALA A 83 8.094 -1.027 6.674 1.00 0.00 C ATOM 1288 C ALA A 83 8.977 -2.097 7.292 1.00 0.00 C ATOM 1289 O ALA A 83 10.062 -2.387 6.790 1.00 0.00 O ATOM 1290 CB ALA A 83 8.459 0.350 7.205 1.00 0.00 C ATOM 0 H ALA A 83 6.245 -0.705 7.605 1.00 0.00 H new ATOM 0 HA ALA A 83 8.256 -1.022 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.510 0.552 7.000 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.842 1.104 6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.287 0.383 8.281 1.00 0.00 H new ATOM 1296 N ARG A 84 8.501 -2.695 8.381 1.00 0.00 N ATOM 1297 CA ARG A 84 9.246 -3.747 9.056 1.00 0.00 C ATOM 1298 C ARG A 84 9.521 -4.889 8.089 1.00 0.00 C ATOM 1299 O ARG A 84 10.656 -5.350 7.966 1.00 0.00 O ATOM 1300 CB ARG A 84 8.473 -4.259 10.270 1.00 0.00 C ATOM 1301 CG ARG A 84 9.148 -3.947 11.595 1.00 0.00 C ATOM 1302 CD ARG A 84 8.650 -2.636 12.181 1.00 0.00 C ATOM 1303 NE ARG A 84 9.520 -1.513 11.832 1.00 0.00 N ATOM 1304 CZ ARG A 84 9.364 -0.280 12.307 1.00 0.00 C ATOM 1305 NH1 ARG A 84 8.371 -0.004 13.144 1.00 0.00 N ATOM 1306 NH2 ARG A 84 10.201 0.681 11.942 1.00 0.00 N ATOM 0 H ARG A 84 7.605 -2.468 8.812 1.00 0.00 H new ATOM 0 HA ARG A 84 10.195 -3.336 9.401 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.476 -3.819 10.267 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.346 -5.338 10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.959 -4.757 12.300 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.227 -3.895 11.451 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.641 -2.438 11.820 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.589 -2.724 13.266 1.00 0.00 H new ATOM 0 HE ARG A 84 10.291 -1.685 11.187 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.723 -0.739 13.426 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.257 0.943 13.505 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.964 0.475 11.297 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.082 1.626 12.306 1.00 0.00 H new ATOM 1320 N ARG A 85 8.479 -5.333 7.387 1.00 0.00 N ATOM 1321 CA ARG A 85 8.640 -6.410 6.422 1.00 0.00 C ATOM 1322 C ARG A 85 9.433 -5.913 5.216 1.00 0.00 C ATOM 1323 O ARG A 85 10.188 -6.667 4.606 1.00 0.00 O ATOM 1324 CB ARG A 85 7.287 -6.988 5.994 1.00 0.00 C ATOM 1325 CG ARG A 85 6.445 -6.048 5.152 1.00 0.00 C ATOM 1326 CD ARG A 85 5.162 -5.658 5.871 1.00 0.00 C ATOM 1327 NE ARG A 85 4.408 -6.821 6.339 1.00 0.00 N ATOM 1328 CZ ARG A 85 3.493 -6.772 7.310 1.00 0.00 C ATOM 1329 NH1 ARG A 85 3.236 -5.629 7.934 1.00 0.00 N ATOM 1330 NH2 ARG A 85 2.832 -7.868 7.658 1.00 0.00 N ATOM 0 H ARG A 85 7.530 -4.968 7.469 1.00 0.00 H new ATOM 0 HA ARG A 85 9.196 -7.217 6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.459 -7.906 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.723 -7.262 6.886 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.020 -5.152 4.919 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.201 -6.526 4.203 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.405 -5.020 6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.537 -5.070 5.199 1.00 0.00 H new ATOM 0 HE ARG A 85 4.592 -7.722 5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.739 -4.781 7.673 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.536 -5.599 8.675 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.022 -8.751 7.184 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.133 -7.828 8.400 1.00 0.00 H new ATOM 1344 N LEU A 86 9.301 -4.623 4.896 1.00 0.00 N ATOM 1345 CA LEU A 86 10.067 -4.068 3.792 1.00 0.00 C ATOM 1346 C LEU A 86 11.542 -4.281 4.094 1.00 0.00 C ATOM 1347 O LEU A 86 12.330 -4.663 3.227 1.00 0.00 O ATOM 1348 CB LEU A 86 9.767 -2.578 3.613 1.00 0.00 C ATOM 1349 CG LEU A 86 9.883 -2.063 2.174 1.00 0.00 C ATOM 1350 CD1 LEU A 86 8.559 -1.481 1.702 1.00 0.00 C ATOM 1351 CD2 LEU A 86 10.992 -1.028 2.062 1.00 0.00 C ATOM 0 H LEU A 86 8.687 -3.964 5.374 1.00 0.00 H new ATOM 0 HA LEU A 86 9.794 -4.567 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.758 -2.380 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.449 -2.007 4.244 1.00 0.00 H new ATOM 0 HG LEU A 86 10.134 -2.906 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.664 -1.121 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.789 -2.252 1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.274 -0.652 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.058 -0.675 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.773 -0.187 2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.941 -1.479 2.352 1.00 0.00 H new ATOM 1363 N VAL A 87 11.885 -4.062 5.359 1.00 0.00 N ATOM 1364 CA VAL A 87 13.239 -4.254 5.847 1.00 0.00 C ATOM 1365 C VAL A 87 13.630 -5.728 5.797 1.00 0.00 C ATOM 1366 O VAL A 87 14.781 -6.058 5.527 1.00 0.00 O ATOM 1367 CB VAL A 87 13.401 -3.737 7.289 1.00 0.00 C ATOM 1368 CG1 VAL A 87 14.862 -3.779 7.711 1.00 0.00 C ATOM 1369 CG2 VAL A 87 12.837 -2.330 7.419 1.00 0.00 C ATOM 0 H VAL A 87 11.229 -3.746 6.073 1.00 0.00 H new ATOM 0 HA VAL A 87 13.897 -3.680 5.194 1.00 0.00 H new ATOM 0 HB VAL A 87 12.838 -4.390 7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 87 14.956 -3.410 8.732 1.00 0.00 H new ATOM 0 HG12 VAL A 87 15.226 -4.805 7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.452 -3.152 7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.960 -1.982 8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.368 -1.661 6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.777 -2.338 7.164 1.00 0.00 H new ATOM 1379 N ASN A 88 12.667 -6.616 6.077 1.00 0.00 N ATOM 1380 CA ASN A 88 12.942 -8.052 6.072 1.00 0.00 C ATOM 1381 C ASN A 88 13.450 -8.501 4.713 1.00 0.00 C ATOM 1382 O ASN A 88 14.481 -9.169 4.622 1.00 0.00 O ATOM 1383 CB ASN A 88 11.701 -8.869 6.499 1.00 0.00 C ATOM 1384 CG ASN A 88 10.728 -9.196 5.365 1.00 0.00 C ATOM 1385 OD1 ASN A 88 9.600 -8.708 5.347 1.00 0.00 O ATOM 1386 ND2 ASN A 88 11.142 -10.053 4.433 1.00 0.00 N ATOM 0 H ASN A 88 11.705 -6.367 6.306 1.00 0.00 H new ATOM 0 HA ASN A 88 13.725 -8.241 6.806 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.036 -9.802 6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.166 -8.314 7.270 1.00 0.00 H new ATOM 0 HD21 ASN A 88 10.516 -10.323 3.674 1.00 0.00 H new ATOM 0 HD22 ASN A 88 12.085 -10.439 4.478 1.00 0.00 H new ATOM 1393 N TYR A 89 12.742 -8.127 3.654 1.00 0.00 N ATOM 1394 CA TYR A 89 13.175 -8.506 2.317 1.00 0.00 C ATOM 1395 C TYR A 89 14.465 -7.786 1.973 1.00 0.00 C ATOM 1396 O TYR A 89 15.424 -8.403 1.512 1.00 0.00 O ATOM 1397 CB TYR A 89 12.098 -8.199 1.274 1.00 0.00 C ATOM 1398 CG TYR A 89 12.481 -8.591 -0.141 1.00 0.00 C ATOM 1399 CD1 TYR A 89 13.623 -8.080 -0.746 1.00 0.00 C ATOM 1400 CD2 TYR A 89 11.683 -9.459 -0.880 1.00 0.00 C ATOM 1401 CE1 TYR A 89 13.964 -8.426 -2.034 1.00 0.00 C ATOM 1402 CE2 TYR A 89 12.013 -9.811 -2.176 1.00 0.00 C ATOM 1403 CZ TYR A 89 13.165 -9.288 -2.747 1.00 0.00 C ATOM 1404 OH TYR A 89 13.525 -9.619 -4.030 1.00 0.00 O ATOM 0 H TYR A 89 11.885 -7.575 3.692 1.00 0.00 H new ATOM 0 HA TYR A 89 13.348 -9.582 2.305 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.181 -8.720 1.549 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.877 -7.132 1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 89 14.255 -7.399 -0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.788 -9.866 -0.433 1.00 0.00 H new ATOM 0 HE1 TYR A 89 14.858 -8.021 -2.484 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.382 -10.485 -2.737 1.00 0.00 H new ATOM 0 HH TYR A 89 14.458 -9.362 -4.185 1.00 0.00 H new ATOM 1414 N LEU A 90 14.495 -6.477 2.207 1.00 0.00 N ATOM 1415 CA LEU A 90 15.690 -5.701 1.922 1.00 0.00 C ATOM 1416 C LEU A 90 16.879 -6.333 2.642 1.00 0.00 C ATOM 1417 O LEU A 90 18.015 -6.281 2.169 1.00 0.00 O ATOM 1418 CB LEU A 90 15.492 -4.235 2.343 1.00 0.00 C ATOM 1419 CG LEU A 90 16.361 -3.746 3.508 1.00 0.00 C ATOM 1420 CD1 LEU A 90 17.791 -3.511 3.047 1.00 0.00 C ATOM 1421 CD2 LEU A 90 15.777 -2.477 4.111 1.00 0.00 C ATOM 0 H LEU A 90 13.715 -5.941 2.588 1.00 0.00 H new ATOM 0 HA LEU A 90 15.886 -5.707 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 90 15.687 -3.600 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.445 -4.093 2.612 1.00 0.00 H new ATOM 0 HG LEU A 90 16.373 -4.519 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.392 -3.164 3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 90 18.207 -4.442 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 90 17.800 -2.758 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 90 16.406 -2.144 4.936 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.735 -1.698 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.771 -2.679 4.480 1.00 0.00 H new ATOM 1433 N ASP A 91 16.588 -6.960 3.779 1.00 0.00 N ATOM 1434 CA ASP A 91 17.600 -7.644 4.566 1.00 0.00 C ATOM 1435 C ASP A 91 18.071 -8.894 3.834 1.00 0.00 C ATOM 1436 O ASP A 91 19.255 -9.231 3.848 1.00 0.00 O ATOM 1437 CB ASP A 91 17.037 -8.026 5.939 1.00 0.00 C ATOM 1438 CG ASP A 91 18.128 -8.350 6.941 1.00 0.00 C ATOM 1439 OD1 ASP A 91 18.631 -9.493 6.922 1.00 0.00 O ATOM 1440 OD2 ASP A 91 18.479 -7.461 7.744 1.00 0.00 O ATOM 0 H ASP A 91 15.649 -7.006 4.175 1.00 0.00 H new ATOM 0 HA ASP A 91 18.446 -6.972 4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.429 -7.206 6.320 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.378 -8.888 5.832 1.00 0.00 H new ATOM 1445 N GLU A 92 17.125 -9.580 3.194 1.00 0.00 N ATOM 1446 CA GLU A 92 17.430 -10.797 2.453 1.00 0.00 C ATOM 1447 C GLU A 92 18.285 -10.491 1.230 1.00 0.00 C ATOM 1448 O GLU A 92 19.171 -11.266 0.870 1.00 0.00 O ATOM 1449 CB GLU A 92 16.135 -11.490 2.022 1.00 0.00 C ATOM 1450 CG GLU A 92 15.639 -12.525 3.018 1.00 0.00 C ATOM 1451 CD GLU A 92 16.567 -13.720 3.128 1.00 0.00 C ATOM 1452 OE1 GLU A 92 17.709 -13.633 2.631 1.00 0.00 O ATOM 1453 OE2 GLU A 92 16.150 -14.743 3.712 1.00 0.00 O ATOM 0 H GLU A 92 16.141 -9.311 3.175 1.00 0.00 H new ATOM 0 HA GLU A 92 17.993 -11.461 3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.360 -10.737 1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.294 -11.973 1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.534 -12.060 3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 92 14.648 -12.866 2.719 1.00 0.00 H new ATOM 1460 N LYS A 93 18.010 -9.360 0.589 1.00 0.00 N ATOM 1461 CA LYS A 93 18.754 -8.959 -0.597 1.00 0.00 C ATOM 1462 C LYS A 93 19.655 -7.763 -0.306 1.00 0.00 C ATOM 1463 O LYS A 93 20.871 -7.915 -0.193 1.00 0.00 O ATOM 1464 CB LYS A 93 17.789 -8.629 -1.739 1.00 0.00 C ATOM 1465 CG LYS A 93 18.030 -9.454 -2.994 1.00 0.00 C ATOM 1466 CD LYS A 93 17.110 -10.663 -3.053 1.00 0.00 C ATOM 1467 CE LYS A 93 17.870 -11.926 -3.427 1.00 0.00 C ATOM 1468 NZ LYS A 93 17.845 -12.177 -4.894 1.00 0.00 N ATOM 0 H LYS A 93 17.279 -8.707 0.871 1.00 0.00 H new ATOM 0 HA LYS A 93 19.388 -9.794 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.766 -8.791 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.879 -7.571 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.872 -8.832 -3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 93 19.068 -9.784 -3.019 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.627 -10.801 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.319 -10.484 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.903 -11.840 -3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.435 -12.779 -2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.374 -13.047 -5.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.860 -12.285 -5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.283 -11.375 -5.391 1.00 0.00 H new ATOM 1482 N LYS A 94 19.039 -6.579 -0.190 1.00 0.00 N ATOM 1483 CA LYS A 94 19.749 -5.317 0.087 1.00 0.00 C ATOM 1484 C LYS A 94 19.296 -4.234 -0.890 1.00 0.00 C ATOM 1485 O LYS A 94 19.202 -4.472 -2.093 1.00 0.00 O ATOM 1486 CB LYS A 94 21.273 -5.482 0.000 1.00 0.00 C ATOM 1487 CG LYS A 94 22.043 -4.174 0.119 1.00 0.00 C ATOM 1488 CD LYS A 94 23.539 -4.389 -0.053 1.00 0.00 C ATOM 1489 CE LYS A 94 24.276 -4.273 1.273 1.00 0.00 C ATOM 1490 NZ LYS A 94 24.139 -2.915 1.866 1.00 0.00 N ATOM 0 H LYS A 94 18.030 -6.466 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 94 19.502 -5.024 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.601 -6.158 0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 94 21.524 -5.955 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.687 -3.471 -0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.849 -3.724 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 94 23.719 -5.373 -0.485 1.00 0.00 H new ATOM 0 HD3 LYS A 94 23.935 -3.655 -0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.887 -5.015 1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 94 25.332 -4.499 1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 24.970 -2.708 2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 24.070 -2.209 1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 23.281 -2.877 2.452 1.00 0.00 H new ATOM 1504 N GLU A 95 19.019 -3.042 -0.364 1.00 0.00 N ATOM 1505 CA GLU A 95 18.577 -1.921 -1.189 1.00 0.00 C ATOM 1506 C GLU A 95 17.450 -2.343 -2.128 1.00 0.00 C ATOM 1507 O GLU A 95 17.366 -1.880 -3.266 1.00 0.00 O ATOM 1508 CB GLU A 95 19.749 -1.364 -2.000 1.00 0.00 C ATOM 1509 CG GLU A 95 20.499 -0.245 -1.295 1.00 0.00 C ATOM 1510 CD GLU A 95 21.079 0.769 -2.263 1.00 0.00 C ATOM 1511 OE1 GLU A 95 21.153 0.462 -3.472 1.00 0.00 O ATOM 1512 OE2 GLU A 95 21.460 1.869 -1.811 1.00 0.00 O ATOM 0 H GLU A 95 19.093 -2.828 0.631 1.00 0.00 H new ATOM 0 HA GLU A 95 18.199 -1.143 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 95 20.445 -2.174 -2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 95 19.376 -0.995 -2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 95 19.824 0.262 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 95 21.304 -0.673 -0.697 1.00 0.00 H new ATOM 1519 N ASP A 96 16.591 -3.230 -1.641 1.00 0.00 N ATOM 1520 CA ASP A 96 15.471 -3.728 -2.430 1.00 0.00 C ATOM 1521 C ASP A 96 14.606 -2.578 -2.958 1.00 0.00 C ATOM 1522 O ASP A 96 14.887 -2.022 -4.020 1.00 0.00 O ATOM 1523 CB ASP A 96 14.631 -4.703 -1.594 1.00 0.00 C ATOM 1524 CG ASP A 96 13.318 -5.067 -2.262 1.00 0.00 C ATOM 1525 OD1 ASP A 96 13.315 -5.988 -3.106 1.00 0.00 O ATOM 1526 OD2 ASP A 96 12.293 -4.428 -1.941 1.00 0.00 O ATOM 0 H ASP A 96 16.649 -3.620 -0.700 1.00 0.00 H new ATOM 0 HA ASP A 96 15.871 -4.260 -3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 96 15.207 -5.611 -1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 96 14.427 -4.258 -0.620 1.00 0.00 H new ATOM 1531 N THR A 97 13.549 -2.236 -2.217 1.00 0.00 N ATOM 1532 CA THR A 97 12.629 -1.167 -2.608 1.00 0.00 C ATOM 1533 C THR A 97 12.359 -1.171 -4.106 1.00 0.00 C ATOM 1534 O THR A 97 12.792 -0.273 -4.829 1.00 0.00 O ATOM 1535 CB THR A 97 13.161 0.202 -2.186 1.00 0.00 C ATOM 1536 OG1 THR A 97 12.503 1.240 -2.893 1.00 0.00 O ATOM 1537 CG2 THR A 97 14.644 0.364 -2.413 1.00 0.00 C ATOM 0 H THR A 97 13.309 -2.689 -1.335 1.00 0.00 H new ATOM 0 HA THR A 97 11.689 -1.358 -2.090 1.00 0.00 H new ATOM 0 HB THR A 97 12.964 0.267 -1.116 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.726 1.180 -3.845 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.955 1.358 -2.092 1.00 0.00 H new ATOM 0 HG22 THR A 97 15.184 -0.388 -1.838 1.00 0.00 H new ATOM 0 HG23 THR A 97 14.866 0.239 -3.473 1.00 0.00 H new ATOM 1545 N GLY A 98 11.619 -2.170 -4.561 1.00 0.00 N ATOM 1546 CA GLY A 98 11.278 -2.250 -5.964 1.00 0.00 C ATOM 1547 C GLY A 98 10.433 -1.072 -6.400 1.00 0.00 C ATOM 1548 O GLY A 98 10.207 -0.858 -7.590 1.00 0.00 O ATOM 0 H GLY A 98 11.249 -2.926 -3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.190 -2.284 -6.559 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.737 -3.177 -6.155 1.00 0.00 H new ATOM 1552 N ILE A 99 9.962 -0.316 -5.417 1.00 0.00 N ATOM 1553 CA ILE A 99 9.123 0.853 -5.671 1.00 0.00 C ATOM 1554 C ILE A 99 9.949 2.112 -5.854 1.00 0.00 C ATOM 1555 O ILE A 99 10.964 2.317 -5.187 1.00 0.00 O ATOM 1556 CB ILE A 99 8.077 1.126 -4.575 1.00 0.00 C ATOM 1557 CG1 ILE A 99 8.102 0.054 -3.479 1.00 0.00 C ATOM 1558 CG2 ILE A 99 6.694 1.225 -5.192 1.00 0.00 C ATOM 1559 CD1 ILE A 99 9.167 0.283 -2.429 1.00 0.00 C ATOM 0 H ILE A 99 10.147 -0.491 -4.429 1.00 0.00 H new ATOM 0 HA ILE A 99 8.595 0.604 -6.591 1.00 0.00 H new ATOM 0 HB ILE A 99 8.329 2.075 -4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.127 0.021 -2.993 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.262 -0.921 -3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.960 1.418 -4.410 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.676 2.040 -5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.452 0.288 -5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 99 9.124 -0.515 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.149 0.287 -2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.996 1.242 -1.941 1.00 0.00 H new ATOM 1571 N LYS A 100 9.491 2.954 -6.761 1.00 0.00 N ATOM 1572 CA LYS A 100 10.164 4.212 -7.047 1.00 0.00 C ATOM 1573 C LYS A 100 10.005 5.186 -5.884 1.00 0.00 C ATOM 1574 O LYS A 100 10.899 5.985 -5.605 1.00 0.00 O ATOM 1575 CB LYS A 100 9.605 4.835 -8.328 1.00 0.00 C ATOM 1576 CG LYS A 100 10.651 5.570 -9.150 1.00 0.00 C ATOM 1577 CD LYS A 100 11.679 4.611 -9.728 1.00 0.00 C ATOM 1578 CE LYS A 100 12.608 5.317 -10.701 1.00 0.00 C ATOM 1579 NZ LYS A 100 13.930 4.640 -10.801 1.00 0.00 N ATOM 0 H LYS A 100 8.651 2.790 -7.316 1.00 0.00 H new ATOM 0 HA LYS A 100 11.225 4.006 -7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.159 4.051 -8.940 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.806 5.529 -8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.163 6.114 -9.959 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.152 6.310 -8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.263 4.170 -8.920 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.170 3.793 -10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.143 5.351 -11.686 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.752 6.349 -10.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 14.533 5.154 -11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.386 4.629 -9.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 13.796 3.663 -11.132 1.00 0.00 H new ATOM 1593 N ASN A 101 8.859 5.117 -5.208 1.00 0.00 N ATOM 1594 CA ASN A 101 8.589 6.000 -4.077 1.00 0.00 C ATOM 1595 C ASN A 101 7.612 5.364 -3.096 1.00 0.00 C ATOM 1596 O ASN A 101 6.516 4.975 -3.476 1.00 0.00 O ATOM 1597 CB ASN A 101 8.027 7.327 -4.583 1.00 0.00 C ATOM 1598 CG ASN A 101 6.890 7.158 -5.564 1.00 0.00 C ATOM 1599 OD1 ASN A 101 6.932 6.295 -6.439 1.00 0.00 O ATOM 1600 ND2 ASN A 101 5.873 8.001 -5.430 1.00 0.00 N ATOM 0 H ASN A 101 8.107 4.462 -5.423 1.00 0.00 H new ATOM 0 HA ASN A 101 9.528 6.175 -3.551 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.680 7.915 -3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 101 8.827 7.895 -5.058 1.00 0.00 H new ATOM 0 HD21 ASN A 101 5.080 7.949 -6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 101 5.885 8.700 -4.687 1.00 0.00 H new ATOM 1607 N ILE A 102 8.012 5.265 -1.828 1.00 0.00 N ATOM 1608 CA ILE A 102 7.152 4.668 -0.808 1.00 0.00 C ATOM 1609 C ILE A 102 6.573 5.719 0.149 1.00 0.00 C ATOM 1610 O ILE A 102 7.291 6.527 0.737 1.00 0.00 O ATOM 1611 CB ILE A 102 7.880 3.551 -0.013 1.00 0.00 C ATOM 1612 CG1 ILE A 102 8.587 4.100 1.230 1.00 0.00 C ATOM 1613 CG2 ILE A 102 8.877 2.830 -0.906 1.00 0.00 C ATOM 1614 CD1 ILE A 102 7.743 4.023 2.484 1.00 0.00 C ATOM 0 H ILE A 102 8.917 5.587 -1.486 1.00 0.00 H new ATOM 0 HA ILE A 102 6.320 4.211 -1.344 1.00 0.00 H new ATOM 0 HB ILE A 102 7.121 2.845 0.324 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.511 3.545 1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 102 8.866 5.139 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.380 2.050 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.352 2.381 -1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.615 3.542 -1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.304 4.428 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.830 4.602 2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.486 2.983 2.686 1.00 0.00 H new ATOM 1626 N MET A 103 5.253 5.687 0.274 1.00 0.00 N ATOM 1627 CA MET A 103 4.522 6.606 1.130 1.00 0.00 C ATOM 1628 C MET A 103 3.367 5.877 1.817 1.00 0.00 C ATOM 1629 O MET A 103 3.055 4.743 1.474 1.00 0.00 O ATOM 1630 CB MET A 103 3.988 7.774 0.297 1.00 0.00 C ATOM 1631 CG MET A 103 5.068 8.754 -0.132 1.00 0.00 C ATOM 1632 SD MET A 103 4.412 10.145 -1.072 1.00 0.00 S ATOM 1633 CE MET A 103 5.606 10.242 -2.403 1.00 0.00 C ATOM 0 H MET A 103 4.659 5.020 -0.218 1.00 0.00 H new ATOM 0 HA MET A 103 5.195 6.993 1.895 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.492 7.381 -0.590 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.233 8.307 0.875 1.00 0.00 H new ATOM 0 HG2 MET A 103 5.584 9.129 0.752 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.809 8.230 -0.736 1.00 0.00 H new ATOM 0 HE1 MET A 103 6.186 11.160 -2.305 1.00 0.00 H new ATOM 0 HE2 MET A 103 6.275 9.383 -2.355 1.00 0.00 H new ATOM 0 HE3 MET A 103 5.085 10.243 -3.360 1.00 0.00 H new ATOM 1643 N ILE A 104 2.724 6.534 2.779 1.00 0.00 N ATOM 1644 CA ILE A 104 1.597 5.921 3.471 1.00 0.00 C ATOM 1645 C ILE A 104 0.340 6.785 3.318 1.00 0.00 C ATOM 1646 O ILE A 104 0.403 8.012 3.341 1.00 0.00 O ATOM 1647 CB ILE A 104 1.917 5.624 4.963 1.00 0.00 C ATOM 1648 CG1 ILE A 104 0.627 5.383 5.770 1.00 0.00 C ATOM 1649 CG2 ILE A 104 2.779 6.720 5.580 1.00 0.00 C ATOM 1650 CD1 ILE A 104 -0.004 6.632 6.350 1.00 0.00 C ATOM 0 H ILE A 104 2.960 7.476 3.092 1.00 0.00 H new ATOM 0 HA ILE A 104 1.404 4.956 3.002 1.00 0.00 H new ATOM 0 HB ILE A 104 2.500 4.704 5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.101 4.891 5.125 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.849 4.693 6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.983 6.479 6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.720 6.794 5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.252 7.672 5.524 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.905 6.362 6.900 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.702 7.116 7.025 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.263 7.317 5.543 1.00 0.00 H new ATOM 1662 N LEU A 105 -0.799 6.119 3.123 1.00 0.00 N ATOM 1663 CA LEU A 105 -2.071 6.807 2.921 1.00 0.00 C ATOM 1664 C LEU A 105 -2.606 7.422 4.208 1.00 0.00 C ATOM 1665 O LEU A 105 -2.547 6.826 5.282 1.00 0.00 O ATOM 1666 CB LEU A 105 -3.129 5.870 2.306 1.00 0.00 C ATOM 1667 CG LEU A 105 -3.190 4.436 2.852 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -2.224 3.532 2.104 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -2.922 4.395 4.352 1.00 0.00 C ATOM 0 H LEU A 105 -0.865 5.101 3.101 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.871 7.617 2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.109 6.327 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.951 5.817 1.232 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.202 4.065 2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.285 2.521 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.486 3.516 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.208 3.909 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.973 3.364 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.930 4.799 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.671 4.993 4.872 1.00 0.00 H new ATOM 1681 N GLU A 106 -3.132 8.633 4.074 1.00 0.00 N ATOM 1682 CA GLU A 106 -3.694 9.366 5.198 1.00 0.00 C ATOM 1683 C GLU A 106 -5.117 8.903 5.479 1.00 0.00 C ATOM 1684 O GLU A 106 -5.557 8.870 6.628 1.00 0.00 O ATOM 1685 CB GLU A 106 -3.701 10.862 4.891 1.00 0.00 C ATOM 1686 CG GLU A 106 -4.498 11.209 3.642 1.00 0.00 C ATOM 1687 CD GLU A 106 -5.887 11.731 3.955 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -6.251 11.781 5.149 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -6.612 12.092 3.003 1.00 0.00 O ATOM 0 H GLU A 106 -3.180 9.132 3.186 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.078 9.175 6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.118 11.400 5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.674 11.207 4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.955 11.959 3.067 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.581 10.323 3.012 1.00 0.00 H new ATOM 1696 N ARG A 107 -5.837 8.556 4.417 1.00 0.00 N ATOM 1697 CA ARG A 107 -7.216 8.108 4.541 1.00 0.00 C ATOM 1698 C ARG A 107 -7.347 6.621 4.233 1.00 0.00 C ATOM 1699 O ARG A 107 -7.995 5.883 4.975 1.00 0.00 O ATOM 1700 CB ARG A 107 -8.117 8.910 3.603 1.00 0.00 C ATOM 1701 CG ARG A 107 -9.574 8.922 4.028 1.00 0.00 C ATOM 1702 CD ARG A 107 -9.893 10.138 4.882 1.00 0.00 C ATOM 1703 NE ARG A 107 -9.556 9.922 6.288 1.00 0.00 N ATOM 1704 CZ ARG A 107 -9.852 10.779 7.262 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -10.487 11.912 6.988 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -9.509 10.504 8.514 1.00 0.00 N ATOM 0 H ARG A 107 -5.486 8.577 3.460 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.527 8.272 5.573 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.753 9.936 3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -8.043 8.495 2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -10.212 8.919 3.144 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -9.799 8.014 4.587 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.343 11.000 4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -10.954 10.374 4.795 1.00 0.00 H new ATOM 0 HE ARG A 107 -9.065 9.063 6.537 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.751 12.129 6.027 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.711 12.565 7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.019 9.636 8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.736 11.161 9.261 1.00 0.00 H new ATOM 1720 N GLY A 108 -6.742 6.186 3.131 1.00 0.00 N ATOM 1721 CA GLY A 108 -6.823 4.785 2.754 1.00 0.00 C ATOM 1722 C GLY A 108 -8.261 4.333 2.581 1.00 0.00 C ATOM 1723 O GLY A 108 -8.833 4.450 1.498 1.00 0.00 O ATOM 0 H GLY A 108 -6.201 6.773 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -6.277 4.626 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.339 4.174 3.516 1.00 0.00 H new ATOM 1727 N PHE A 109 -8.845 3.834 3.663 1.00 0.00 N ATOM 1728 CA PHE A 109 -10.232 3.376 3.657 1.00 0.00 C ATOM 1729 C PHE A 109 -10.815 3.423 5.072 1.00 0.00 C ATOM 1730 O PHE A 109 -11.797 2.745 5.375 1.00 0.00 O ATOM 1731 CB PHE A 109 -10.329 1.956 3.075 1.00 0.00 C ATOM 1732 CG PHE A 109 -10.247 0.856 4.100 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -9.049 0.566 4.732 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -11.369 0.114 4.427 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -8.972 -0.445 5.671 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -11.299 -0.899 5.366 1.00 0.00 C ATOM 1737 CZ PHE A 109 -10.098 -1.179 5.988 1.00 0.00 C ATOM 0 H PHE A 109 -8.377 3.735 4.564 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.815 4.044 3.023 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -11.270 1.862 2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -9.528 1.819 2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -8.165 1.137 4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -12.310 0.329 3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -8.032 -0.661 6.157 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -12.182 -1.470 5.612 1.00 0.00 H new ATOM 0 HZ PHE A 109 -10.040 -1.970 6.721 1.00 0.00 H new ATOM 1747 N ASN A 110 -10.191 4.228 5.932 1.00 0.00 N ATOM 1748 CA ASN A 110 -10.630 4.367 7.311 1.00 0.00 C ATOM 1749 C ASN A 110 -12.000 5.021 7.382 1.00 0.00 C ATOM 1750 O ASN A 110 -12.831 4.645 8.198 1.00 0.00 O ATOM 1751 CB ASN A 110 -9.616 5.182 8.115 1.00 0.00 C ATOM 1752 CG ASN A 110 -9.402 4.626 9.509 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -10.282 4.710 10.365 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -8.227 4.053 9.743 1.00 0.00 N ATOM 0 H ASN A 110 -9.377 4.794 5.692 1.00 0.00 H new ATOM 0 HA ASN A 110 -10.703 3.369 7.744 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.664 5.199 7.584 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.959 6.214 8.187 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -8.025 3.660 10.662 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -7.526 4.006 9.003 1.00 0.00 H new ATOM 1761 N GLY A 111 -12.233 5.999 6.521 1.00 0.00 N ATOM 1762 CA GLY A 111 -13.512 6.671 6.509 1.00 0.00 C ATOM 1763 C GLY A 111 -14.629 5.748 6.071 1.00 0.00 C ATOM 1764 O GLY A 111 -15.734 5.802 6.611 1.00 0.00 O ATOM 0 H GLY A 111 -11.561 6.338 5.833 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.729 7.057 7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.465 7.529 5.838 1.00 0.00 H new ATOM 1768 N TRP A 112 -14.341 4.896 5.089 1.00 0.00 N ATOM 1769 CA TRP A 112 -15.339 3.959 4.587 1.00 0.00 C ATOM 1770 C TRP A 112 -15.700 2.923 5.642 1.00 0.00 C ATOM 1771 O TRP A 112 -16.875 2.724 5.946 1.00 0.00 O ATOM 1772 CB TRP A 112 -14.835 3.259 3.326 1.00 0.00 C ATOM 1773 CG TRP A 112 -15.863 2.345 2.747 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -16.345 1.207 3.316 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -16.553 2.499 1.502 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -17.295 0.642 2.510 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -17.442 1.414 1.385 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -16.508 3.448 0.477 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -18.277 1.253 0.283 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -17.337 3.285 -0.617 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -18.213 2.197 -0.705 1.00 0.00 C ATOM 0 H TRP A 112 -13.432 4.836 4.630 1.00 0.00 H new ATOM 0 HA TRP A 112 -16.234 4.531 4.343 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -14.555 4.006 2.584 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -13.935 2.690 3.562 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -16.024 0.807 4.267 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -17.811 -0.214 2.712 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -15.838 4.293 0.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -18.951 0.413 0.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -17.308 4.009 -1.417 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -18.852 2.101 -1.571 1.00 0.00 H new ATOM 1792 N GLU A 113 -14.695 2.266 6.208 1.00 0.00 N ATOM 1793 CA GLU A 113 -14.946 1.263 7.231 1.00 0.00 C ATOM 1794 C GLU A 113 -15.495 1.908 8.505 1.00 0.00 C ATOM 1795 O GLU A 113 -16.506 1.475 9.059 1.00 0.00 O ATOM 1796 CB GLU A 113 -13.659 0.502 7.552 1.00 0.00 C ATOM 1797 CG GLU A 113 -13.901 -0.882 8.128 1.00 0.00 C ATOM 1798 CD GLU A 113 -12.714 -1.403 8.917 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -12.397 -0.815 9.972 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -12.103 -2.400 8.479 1.00 0.00 O ATOM 0 H GLU A 113 -13.711 2.408 5.979 1.00 0.00 H new ATOM 0 HA GLU A 113 -15.690 0.566 6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -13.065 0.410 6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.069 1.084 8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.778 -0.854 8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -14.125 -1.575 7.317 1.00 0.00 H new ATOM 1807 N ALA A 114 -14.787 2.933 8.971 1.00 0.00 N ATOM 1808 CA ALA A 114 -15.137 3.655 10.194 1.00 0.00 C ATOM 1809 C ALA A 114 -16.432 4.467 10.101 1.00 0.00 C ATOM 1810 O ALA A 114 -17.280 4.382 10.990 1.00 0.00 O ATOM 1811 CB ALA A 114 -13.997 4.579 10.582 1.00 0.00 C ATOM 0 H ALA A 114 -13.950 3.289 8.510 1.00 0.00 H new ATOM 0 HA ALA A 114 -15.308 2.891 10.953 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.259 5.117 11.493 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -13.095 3.992 10.753 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.818 5.293 9.778 1.00 0.00 H new ATOM 1817 N SER A 115 -16.571 5.288 9.060 1.00 0.00 N ATOM 1818 CA SER A 115 -17.760 6.135 8.932 1.00 0.00 C ATOM 1819 C SER A 115 -18.376 6.084 7.538 1.00 0.00 C ATOM 1820 O SER A 115 -18.991 7.052 7.090 1.00 0.00 O ATOM 1821 CB SER A 115 -17.412 7.582 9.283 1.00 0.00 C ATOM 1822 OG SER A 115 -18.546 8.274 9.777 1.00 0.00 O ATOM 0 H SER A 115 -15.891 5.385 8.306 1.00 0.00 H new ATOM 0 HA SER A 115 -18.501 5.744 9.629 1.00 0.00 H new ATOM 0 HB2 SER A 115 -16.619 7.597 10.030 1.00 0.00 H new ATOM 0 HB3 SER A 115 -17.028 8.091 8.399 1.00 0.00 H new ATOM 0 HG SER A 115 -19.284 8.190 9.138 1.00 0.00 H new ATOM 1828 N GLY A 116 -18.230 4.956 6.867 1.00 0.00 N ATOM 1829 CA GLY A 116 -18.801 4.807 5.541 1.00 0.00 C ATOM 1830 C GLY A 116 -19.372 3.424 5.342 1.00 0.00 C ATOM 1831 O GLY A 116 -18.956 2.695 4.442 1.00 0.00 O ATOM 0 H GLY A 116 -17.727 4.139 7.213 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -19.584 5.551 5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -18.035 4.998 4.789 1.00 0.00 H new ATOM 1835 N LYS A 117 -20.304 3.046 6.211 1.00 0.00 N ATOM 1836 CA LYS A 117 -20.901 1.723 6.152 1.00 0.00 C ATOM 1837 C LYS A 117 -19.817 0.689 6.430 1.00 0.00 C ATOM 1838 O LYS A 117 -18.633 0.984 6.270 1.00 0.00 O ATOM 1839 CB LYS A 117 -21.564 1.487 4.782 1.00 0.00 C ATOM 1840 CG LYS A 117 -20.808 0.537 3.859 1.00 0.00 C ATOM 1841 CD LYS A 117 -21.131 0.804 2.397 1.00 0.00 C ATOM 1842 CE LYS A 117 -22.003 -0.293 1.807 1.00 0.00 C ATOM 1843 NZ LYS A 117 -23.397 -0.232 2.323 1.00 0.00 N ATOM 0 H LYS A 117 -20.659 3.638 6.962 1.00 0.00 H new ATOM 0 HA LYS A 117 -21.683 1.634 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -22.567 1.092 4.943 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -21.676 2.447 4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -19.736 0.647 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -21.064 -0.493 4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -21.641 1.763 2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -20.205 0.879 1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -22.014 -0.203 0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -21.571 -1.266 2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -23.959 -0.996 1.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -23.390 -0.343 3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -23.819 0.686 2.077 1.00 0.00 H new ATOM 1857 N PRO A 118 -20.186 -0.529 6.853 1.00 0.00 N ATOM 1858 CA PRO A 118 -19.208 -1.577 7.146 1.00 0.00 C ATOM 1859 C PRO A 118 -18.067 -1.604 6.115 1.00 0.00 C ATOM 1860 O PRO A 118 -17.092 -0.869 6.250 1.00 0.00 O ATOM 1861 CB PRO A 118 -20.060 -2.849 7.111 1.00 0.00 C ATOM 1862 CG PRO A 118 -21.405 -2.401 7.575 1.00 0.00 C ATOM 1863 CD PRO A 118 -21.571 -0.983 7.083 1.00 0.00 C ATOM 0 HA PRO A 118 -18.694 -1.437 8.097 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.105 -3.271 6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -19.650 -3.621 7.763 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -22.189 -3.045 7.176 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -21.477 -2.447 8.662 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -22.163 -0.943 6.168 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -22.080 -0.361 7.819 1.00 0.00 H new ATOM 1871 N VAL A 119 -18.189 -2.435 5.090 1.00 0.00 N ATOM 1872 CA VAL A 119 -17.175 -2.525 4.048 1.00 0.00 C ATOM 1873 C VAL A 119 -17.843 -2.661 2.683 1.00 0.00 C ATOM 1874 O VAL A 119 -18.951 -3.191 2.597 1.00 0.00 O ATOM 1875 CB VAL A 119 -16.181 -3.669 4.306 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -15.732 -3.650 5.757 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -16.782 -5.016 3.936 1.00 0.00 C ATOM 0 H VAL A 119 -18.984 -3.060 4.957 1.00 0.00 H new ATOM 0 HA VAL A 119 -16.593 -1.604 4.062 1.00 0.00 H new ATOM 0 HB VAL A 119 -15.309 -3.518 3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.028 -4.464 5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -15.248 -2.698 5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -16.598 -3.774 6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -16.055 -5.804 4.130 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -17.676 -5.192 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -17.046 -5.018 2.879 1.00 0.00 H new ATOM 1887 N CYS A 120 -17.196 -2.164 1.622 1.00 0.00 N ATOM 1888 CA CYS A 120 -17.775 -2.226 0.275 1.00 0.00 C ATOM 1889 C CYS A 120 -18.649 -3.468 0.111 1.00 0.00 C ATOM 1890 O CYS A 120 -18.319 -4.538 0.619 1.00 0.00 O ATOM 1891 CB CYS A 120 -16.667 -2.199 -0.782 1.00 0.00 C ATOM 1892 SG CYS A 120 -17.235 -1.817 -2.454 1.00 0.00 S ATOM 0 H CYS A 120 -16.280 -1.718 1.669 1.00 0.00 H new ATOM 0 HA CYS A 120 -18.409 -1.351 0.135 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -15.920 -1.461 -0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -16.170 -3.169 -0.794 1.00 0.00 H new ATOM 1897 N ARG A 121 -19.780 -3.311 -0.572 1.00 0.00 N ATOM 1898 CA ARG A 121 -20.710 -4.420 -0.770 1.00 0.00 C ATOM 1899 C ARG A 121 -20.765 -4.834 -2.239 1.00 0.00 C ATOM 1900 O ARG A 121 -20.102 -5.787 -2.647 1.00 0.00 O ATOM 1901 CB ARG A 121 -22.105 -4.036 -0.262 1.00 0.00 C ATOM 1902 CG ARG A 121 -22.971 -5.230 0.113 1.00 0.00 C ATOM 1903 CD ARG A 121 -24.252 -5.279 -0.708 1.00 0.00 C ATOM 1904 NE ARG A 121 -25.344 -4.539 -0.072 1.00 0.00 N ATOM 1905 CZ ARG A 121 -25.707 -3.299 -0.406 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -25.070 -2.642 -1.369 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -26.715 -2.714 0.225 1.00 0.00 N ATOM 0 H ARG A 121 -20.074 -2.431 -0.996 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.352 -5.275 -0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.999 -3.388 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.615 -3.456 -1.031 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.407 -6.150 -0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.220 -5.180 1.173 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -24.063 -4.865 -1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -24.552 -6.317 -0.849 1.00 0.00 H new ATOM 0 HE ARG A 121 -25.861 -5.002 0.675 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -24.295 -3.085 -1.862 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -25.356 -1.695 -1.616 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -27.212 -3.211 0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -26.994 -1.766 -0.029 1.00 0.00 H new ATOM 1921 N CYS A 122 -21.552 -4.109 -3.033 1.00 0.00 N ATOM 1922 CA CYS A 122 -21.688 -4.394 -4.461 1.00 0.00 C ATOM 1923 C CYS A 122 -21.834 -5.894 -4.721 1.00 0.00 C ATOM 1924 O CYS A 122 -22.156 -6.661 -3.814 1.00 0.00 O ATOM 1925 CB CYS A 122 -20.480 -3.846 -5.227 1.00 0.00 C ATOM 1926 SG CYS A 122 -19.766 -2.347 -4.514 1.00 0.00 S ATOM 0 H CYS A 122 -22.107 -3.317 -2.710 1.00 0.00 H new ATOM 0 HA CYS A 122 -22.594 -3.901 -4.814 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -19.711 -4.617 -5.268 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -20.779 -3.639 -6.254 1.00 0.00 H new ATOM 1931 N ALA A 123 -21.591 -6.304 -5.965 1.00 0.00 N ATOM 1932 CA ALA A 123 -21.692 -7.708 -6.339 1.00 0.00 C ATOM 1933 C ALA A 123 -20.897 -7.990 -7.610 1.00 0.00 C ATOM 1934 O ALA A 123 -21.263 -8.857 -8.404 1.00 0.00 O ATOM 1935 CB ALA A 123 -23.151 -8.102 -6.524 1.00 0.00 C ATOM 0 H ALA A 123 -21.323 -5.682 -6.728 1.00 0.00 H new ATOM 0 HA ALA A 123 -21.268 -8.308 -5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -23.211 -9.154 -6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -23.692 -7.943 -5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -23.596 -7.492 -7.310 1.00 0.00 H new ATOM 1941 N GLU A 124 -19.808 -7.250 -7.797 1.00 0.00 N ATOM 1942 CA GLU A 124 -18.962 -7.418 -8.973 1.00 0.00 C ATOM 1943 C GLU A 124 -17.607 -8.003 -8.591 1.00 0.00 C ATOM 1944 O GLU A 124 -17.334 -8.254 -7.417 1.00 0.00 O ATOM 1945 CB GLU A 124 -18.760 -6.080 -9.689 1.00 0.00 C ATOM 1946 CG GLU A 124 -20.004 -5.203 -9.721 1.00 0.00 C ATOM 1947 CD GLU A 124 -20.570 -5.041 -11.118 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -21.192 -6.001 -11.622 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -20.393 -3.956 -11.710 1.00 0.00 O ATOM 0 H GLU A 124 -19.491 -6.529 -7.149 1.00 0.00 H new ATOM 0 HA GLU A 124 -19.466 -8.111 -9.647 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -17.955 -5.534 -9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -18.436 -6.272 -10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -20.766 -5.636 -9.073 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -19.762 -4.221 -9.315 1.00 0.00 H new ATOM 1956 N VAL A 125 -16.763 -8.218 -9.594 1.00 0.00 N ATOM 1957 CA VAL A 125 -15.431 -8.774 -9.367 1.00 0.00 C ATOM 1958 C VAL A 125 -14.366 -7.679 -9.359 1.00 0.00 C ATOM 1959 O VAL A 125 -13.598 -7.563 -8.404 1.00 0.00 O ATOM 1960 CB VAL A 125 -15.053 -9.834 -10.427 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -14.233 -10.947 -9.794 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -16.294 -10.401 -11.103 1.00 0.00 C ATOM 0 H VAL A 125 -16.975 -8.017 -10.571 1.00 0.00 H new ATOM 0 HA VAL A 125 -15.466 -9.255 -8.390 1.00 0.00 H new ATOM 0 HB VAL A 125 -14.448 -9.347 -11.192 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -13.975 -11.685 -10.553 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -13.320 -10.530 -9.368 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -14.815 -11.425 -9.006 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -15.998 -11.144 -11.844 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -16.934 -10.869 -10.355 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -16.840 -9.596 -11.595 1.00 0.00 H new ATOM 1972 N PRO A 126 -14.299 -6.856 -10.424 1.00 0.00 N ATOM 1973 CA PRO A 126 -13.322 -5.777 -10.525 1.00 0.00 C ATOM 1974 C PRO A 126 -13.814 -4.475 -9.896 1.00 0.00 C ATOM 1975 O PRO A 126 -13.274 -3.403 -10.166 1.00 0.00 O ATOM 1976 CB PRO A 126 -13.164 -5.619 -12.034 1.00 0.00 C ATOM 1977 CG PRO A 126 -14.511 -5.951 -12.589 1.00 0.00 C ATOM 1978 CD PRO A 126 -15.166 -6.907 -11.618 1.00 0.00 C ATOM 0 HA PRO A 126 -12.396 -6.003 -9.995 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -12.865 -4.604 -12.298 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -12.398 -6.288 -12.425 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -15.112 -5.050 -12.707 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -14.420 -6.405 -13.576 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -16.186 -6.601 -11.384 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -15.222 -7.916 -12.028 1.00 0.00 H new ATOM 1986 N CYS A 127 -14.845 -4.573 -9.058 1.00 0.00 N ATOM 1987 CA CYS A 127 -15.409 -3.403 -8.395 1.00 0.00 C ATOM 1988 C CYS A 127 -14.333 -2.621 -7.644 1.00 0.00 C ATOM 1989 O CYS A 127 -13.684 -3.150 -6.742 1.00 0.00 O ATOM 1990 CB CYS A 127 -16.522 -3.828 -7.425 1.00 0.00 C ATOM 1991 SG CYS A 127 -16.930 -2.599 -6.157 1.00 0.00 S ATOM 0 H CYS A 127 -15.306 -5.452 -8.823 1.00 0.00 H new ATOM 0 HA CYS A 127 -15.830 -2.753 -9.162 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -17.421 -4.050 -8.000 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -16.222 -4.753 -6.932 1.00 0.00 H new ATOM 1996 N LYS A 128 -14.165 -1.353 -8.006 1.00 0.00 N ATOM 1997 CA LYS A 128 -13.196 -0.497 -7.353 1.00 0.00 C ATOM 1998 C LYS A 128 -11.785 -1.029 -7.502 1.00 0.00 C ATOM 1999 O LYS A 128 -11.561 -2.112 -8.044 1.00 0.00 O ATOM 2000 CB LYS A 128 -13.528 -0.381 -5.867 1.00 0.00 C ATOM 2001 CG LYS A 128 -14.185 0.934 -5.494 1.00 0.00 C ATOM 2002 CD LYS A 128 -15.544 1.093 -6.157 1.00 0.00 C ATOM 2003 CE LYS A 128 -15.939 2.557 -6.279 1.00 0.00 C ATOM 2004 NZ LYS A 128 -17.124 2.886 -5.440 1.00 0.00 N ATOM 0 H LYS A 128 -14.693 -0.899 -8.752 1.00 0.00 H new ATOM 0 HA LYS A 128 -13.247 0.481 -7.832 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -14.189 -1.201 -5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -12.612 -0.497 -5.288 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -14.300 0.989 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -13.538 1.760 -5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -15.522 0.638 -7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.297 0.559 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -15.099 3.185 -5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -16.157 2.788 -7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -17.360 3.893 -5.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -17.933 2.305 -5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -16.908 2.690 -4.442 1.00 0.00 H new ATOM 2018 N GLY A 129 -10.839 -0.260 -6.983 1.00 0.00 N ATOM 2019 CA GLY A 129 -9.445 -0.660 -7.024 1.00 0.00 C ATOM 2020 C GLY A 129 -9.281 -2.087 -6.550 1.00 0.00 C ATOM 2021 O GLY A 129 -8.898 -2.963 -7.325 1.00 0.00 O ATOM 0 H GLY A 129 -11.012 0.638 -6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -9.064 -0.564 -8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -8.852 0.006 -6.397 1.00 0.00 H new ATOM 2025 N ASP A 130 -9.615 -2.339 -5.283 1.00 0.00 N ATOM 2026 CA ASP A 130 -9.545 -3.678 -4.750 1.00 0.00 C ATOM 2027 C ASP A 130 -10.742 -3.937 -3.847 1.00 0.00 C ATOM 2028 O ASP A 130 -10.918 -3.289 -2.805 1.00 0.00 O ATOM 2029 CB ASP A 130 -8.239 -3.883 -3.982 1.00 0.00 C ATOM 2030 CG ASP A 130 -7.365 -4.955 -4.604 1.00 0.00 C ATOM 2031 OD1 ASP A 130 -7.712 -6.149 -4.484 1.00 0.00 O ATOM 2032 OD2 ASP A 130 -6.332 -4.602 -5.211 1.00 0.00 O ATOM 0 H ASP A 130 -9.933 -1.632 -4.620 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.567 -4.388 -5.577 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -7.688 -2.943 -3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -8.466 -4.156 -2.951 1.00 0.00 H new ATOM 2037 N CYS A 131 -11.547 -4.899 -4.271 1.00 0.00 N ATOM 2038 CA CYS A 131 -12.744 -5.306 -3.556 1.00 0.00 C ATOM 2039 C CYS A 131 -12.695 -6.799 -3.245 1.00 0.00 C ATOM 2040 O CYS A 131 -13.729 -7.465 -3.204 1.00 0.00 O ATOM 2041 CB CYS A 131 -13.986 -5.000 -4.398 1.00 0.00 C ATOM 2042 SG CYS A 131 -14.113 -5.990 -5.906 1.00 0.00 S ATOM 0 H CYS A 131 -11.385 -5.424 -5.130 1.00 0.00 H new ATOM 0 HA CYS A 131 -12.794 -4.750 -2.620 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -14.875 -5.167 -3.790 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -13.978 -3.944 -4.668 1.00 0.00 H new ATOM 0 HG CYS A 131 -15.085 -6.845 -5.783 1.00 0.00 H new ATOM 2048 N ALA A 132 -11.487 -7.321 -3.043 1.00 0.00 N ATOM 2049 CA ALA A 132 -11.295 -8.742 -2.752 1.00 0.00 C ATOM 2050 C ALA A 132 -11.348 -9.570 -4.031 1.00 0.00 C ATOM 2051 O ALA A 132 -12.135 -9.213 -4.932 1.00 0.00 O ATOM 2052 CB ALA A 132 -12.335 -9.243 -1.760 1.00 0.00 C ATOM 2053 OXT ALA A 132 -10.602 -10.568 -4.121 1.00 0.00 O ATOM 0 H ALA A 132 -10.623 -6.780 -3.075 1.00 0.00 H new ATOM 0 HA ALA A 132 -10.308 -8.857 -2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -12.169 -10.302 -1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -12.250 -8.682 -0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -13.332 -9.104 -2.177 1.00 0.00 H new TER 2059 ALA A 132 HETATM 2060 ZN ZN A 201 -17.507 -3.415 -4.022 1.00 0.00 ZN