USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 TYR OH : rot 180:sc= 1.05 USER MOD Set 1.2: A 71 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -170:sc= 0.569 (180deg=0.506) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.13) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc=-0.00154 (180deg=-0.158) USER MOD Single : A 30 SER OG : rot 69:sc= 1.28 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.0063 X(o=-0.0063,f=-0.41) USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= 1.84 (180deg=1.66) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 1.15 (180deg=0.609) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= -0.0299 (180deg=-0.214) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= -0.0186 (180deg=-0.204) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 55 HIS : no HD1:sc= -0.0118 X(o=-0.012,f=-0.2) USER MOD Single : A 57 ASN : amide:sc= -0.14 K(o=-0.14,f=-3.8!) USER MOD Single : A 64 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.46) USER MOD Single : A 66 LYS NZ :NH3+ -144:sc= 1.18 (180deg=-0.701) USER MOD Single : A 73 LYS NZ :NH3+ 156:sc= 2.08 (180deg=1.19) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.680 30.466 21.695 1.00 0.00 N ATOM 2 CA GLY A 1 20.073 30.781 21.338 1.00 0.00 C ATOM 3 C GLY A 1 20.443 30.218 19.986 1.00 0.00 C ATOM 4 O GLY A 1 19.723 29.375 19.445 1.00 0.00 O ATOM 0 H1 GLY A 1 18.408 31.005 22.542 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.053 30.722 20.906 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.593 29.448 21.890 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.212 31.862 21.333 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.744 30.377 22.097 1.00 0.00 H new ATOM 10 N SER A 2 21.554 30.682 19.425 1.00 0.00 N ATOM 11 CA SER A 2 22.011 30.184 18.137 1.00 0.00 C ATOM 12 C SER A 2 22.547 28.772 18.297 1.00 0.00 C ATOM 13 O SER A 2 22.190 27.865 17.545 1.00 0.00 O ATOM 14 CB SER A 2 23.095 31.095 17.567 1.00 0.00 C ATOM 15 OG SER A 2 22.681 32.452 17.591 1.00 0.00 O ATOM 0 H SER A 2 22.150 31.398 19.840 1.00 0.00 H new ATOM 0 HA SER A 2 21.170 30.173 17.444 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.012 30.980 18.144 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.323 30.798 16.543 1.00 0.00 H new ATOM 0 HG SER A 2 23.392 33.017 17.223 1.00 0.00 H new ATOM 21 N VAL A 3 23.400 28.593 19.292 1.00 0.00 N ATOM 22 CA VAL A 3 23.964 27.296 19.590 1.00 0.00 C ATOM 23 C VAL A 3 22.991 26.495 20.444 1.00 0.00 C ATOM 24 O VAL A 3 22.720 25.325 20.170 1.00 0.00 O ATOM 25 CB VAL A 3 25.318 27.430 20.329 1.00 0.00 C ATOM 26 CG1 VAL A 3 25.893 26.063 20.661 1.00 0.00 C ATOM 27 CG2 VAL A 3 26.304 28.233 19.493 1.00 0.00 C ATOM 0 H VAL A 3 23.717 29.340 19.910 1.00 0.00 H new ATOM 0 HA VAL A 3 24.139 26.777 18.647 1.00 0.00 H new ATOM 0 HB VAL A 3 25.142 27.961 21.265 1.00 0.00 H new ATOM 0 HG11 VAL A 3 26.844 26.184 21.180 1.00 0.00 H new ATOM 0 HG12 VAL A 3 25.197 25.521 21.301 1.00 0.00 H new ATOM 0 HG13 VAL A 3 26.051 25.501 19.740 1.00 0.00 H new ATOM 0 HG21 VAL A 3 27.250 28.317 20.028 1.00 0.00 H new ATOM 0 HG22 VAL A 3 26.469 27.729 18.541 1.00 0.00 H new ATOM 0 HG23 VAL A 3 25.900 29.229 19.311 1.00 0.00 H new ATOM 37 N GLU A 4 22.449 27.142 21.460 1.00 0.00 N ATOM 38 CA GLU A 4 21.496 26.505 22.351 1.00 0.00 C ATOM 39 C GLU A 4 20.056 26.646 21.791 1.00 0.00 C ATOM 40 O GLU A 4 19.376 27.633 22.085 1.00 0.00 O ATOM 41 CB GLU A 4 21.553 27.140 23.750 1.00 0.00 C ATOM 42 CG GLU A 4 20.679 26.433 24.772 1.00 0.00 C ATOM 43 CD GLU A 4 20.594 27.174 26.082 1.00 0.00 C ATOM 44 OE1 GLU A 4 21.477 26.975 26.944 1.00 0.00 O ATOM 45 OE2 GLU A 4 19.643 27.955 26.264 1.00 0.00 O1- ATOM 0 H GLU A 4 22.654 28.114 21.690 1.00 0.00 H new ATOM 0 HA GLU A 4 21.759 25.450 22.423 1.00 0.00 H new ATOM 0 HB2 GLU A 4 22.585 27.135 24.101 1.00 0.00 H new ATOM 0 HB3 GLU A 4 21.245 28.183 23.680 1.00 0.00 H new ATOM 0 HG2 GLU A 4 19.676 26.311 24.363 1.00 0.00 H new ATOM 0 HG3 GLU A 4 21.074 25.433 24.951 1.00 0.00 H new ATOM 52 N LYS A 5 19.611 25.704 20.945 1.00 0.00 N ATOM 53 CA LYS A 5 18.253 25.749 20.431 1.00 0.00 C ATOM 54 C LYS A 5 17.498 24.470 20.780 1.00 0.00 C ATOM 55 O LYS A 5 16.456 24.171 20.201 1.00 0.00 O ATOM 56 CB LYS A 5 18.242 26.022 18.918 1.00 0.00 C ATOM 57 CG LYS A 5 19.200 25.165 18.105 1.00 0.00 C ATOM 58 CD LYS A 5 19.237 25.626 16.654 1.00 0.00 C ATOM 59 CE LYS A 5 20.295 24.884 15.854 1.00 0.00 C ATOM 60 NZ LYS A 5 20.376 25.370 14.450 1.00 0.00 N1+ ATOM 0 H LYS A 5 20.169 24.918 20.612 1.00 0.00 H new ATOM 0 HA LYS A 5 17.734 26.578 20.912 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.231 25.866 18.543 1.00 0.00 H new ATOM 0 HB3 LYS A 5 18.486 27.071 18.751 1.00 0.00 H new ATOM 0 HG2 LYS A 5 20.200 25.221 18.535 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.891 24.121 18.152 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.260 25.469 16.198 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.438 26.697 16.618 1.00 0.00 H new ATOM 0 HE2 LYS A 5 21.265 25.005 16.336 1.00 0.00 H new ATOM 0 HE3 LYS A 5 20.069 23.818 15.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 20.969 24.723 13.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.421 25.406 14.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 20.795 26.322 14.436 1.00 0.00 H new ATOM 74 N LEU A 6 18.058 23.715 21.731 1.00 0.00 N ATOM 75 CA LEU A 6 17.444 22.490 22.269 1.00 0.00 C ATOM 76 C LEU A 6 17.126 21.466 21.164 1.00 0.00 C ATOM 77 O LEU A 6 16.197 20.664 21.291 1.00 0.00 O ATOM 78 CB LEU A 6 16.175 22.847 23.059 1.00 0.00 C ATOM 79 CG LEU A 6 15.584 21.733 23.932 1.00 0.00 C ATOM 80 CD1 LEU A 6 16.587 21.281 24.985 1.00 0.00 C ATOM 81 CD2 LEU A 6 14.297 22.201 24.587 1.00 0.00 C ATOM 0 H LEU A 6 18.959 23.937 22.155 1.00 0.00 H new ATOM 0 HA LEU A 6 18.166 22.021 22.937 1.00 0.00 H new ATOM 0 HB2 LEU A 6 16.399 23.701 23.698 1.00 0.00 H new ATOM 0 HB3 LEU A 6 15.411 23.170 22.352 1.00 0.00 H new ATOM 0 HG LEU A 6 15.357 20.880 23.292 1.00 0.00 H new ATOM 0 HD11 LEU A 6 16.146 20.491 25.592 1.00 0.00 H new ATOM 0 HD12 LEU A 6 17.484 20.904 24.495 1.00 0.00 H new ATOM 0 HD13 LEU A 6 16.850 22.125 25.623 1.00 0.00 H new ATOM 0 HD21 LEU A 6 13.890 21.399 25.203 1.00 0.00 H new ATOM 0 HD22 LEU A 6 14.502 23.070 25.212 1.00 0.00 H new ATOM 0 HD23 LEU A 6 13.574 22.470 23.817 1.00 0.00 H new ATOM 93 N THR A 7 17.917 21.490 20.090 1.00 0.00 N ATOM 94 CA THR A 7 17.734 20.570 18.959 1.00 0.00 C ATOM 95 C THR A 7 16.367 20.802 18.265 1.00 0.00 C ATOM 96 O THR A 7 15.867 19.944 17.532 1.00 0.00 O ATOM 97 CB THR A 7 17.836 19.083 19.413 1.00 0.00 C ATOM 98 OG1 THR A 7 18.856 18.944 20.418 1.00 0.00 O ATOM 99 CG2 THR A 7 18.186 18.179 18.236 1.00 0.00 C ATOM 0 H THR A 7 18.695 22.139 19.977 1.00 0.00 H new ATOM 0 HA THR A 7 18.535 20.777 18.249 1.00 0.00 H new ATOM 0 HB THR A 7 16.867 18.789 19.818 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.913 18.007 20.699 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.252 17.146 18.578 1.00 0.00 H new ATOM 0 HG22 THR A 7 17.413 18.260 17.472 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.144 18.484 17.816 1.00 0.00 H new ATOM 107 N ALA A 8 15.781 21.980 18.478 1.00 0.00 N ATOM 108 CA ALA A 8 14.482 22.307 17.871 1.00 0.00 C ATOM 109 C ALA A 8 14.646 22.690 16.406 1.00 0.00 C ATOM 110 O ALA A 8 13.684 23.074 15.735 1.00 0.00 O ATOM 111 CB ALA A 8 13.776 23.422 18.642 1.00 0.00 C ATOM 0 H ALA A 8 16.176 22.719 19.059 1.00 0.00 H new ATOM 0 HA ALA A 8 13.859 21.414 17.924 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.819 23.641 18.169 1.00 0.00 H new ATOM 0 HB2 ALA A 8 13.608 23.103 19.671 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.397 24.318 18.637 1.00 0.00 H new ATOM 117 N ASP A 9 15.868 22.563 15.913 1.00 0.00 N ATOM 118 CA ASP A 9 16.182 22.887 14.523 1.00 0.00 C ATOM 119 C ASP A 9 15.540 21.869 13.587 1.00 0.00 C ATOM 120 O ASP A 9 15.162 22.197 12.457 1.00 0.00 O ATOM 121 CB ASP A 9 17.706 22.932 14.302 1.00 0.00 C ATOM 122 CG ASP A 9 18.080 23.487 12.948 1.00 0.00 C ATOM 123 OD1 ASP A 9 18.332 24.701 12.860 1.00 0.00 O ATOM 124 OD2 ASP A 9 18.134 22.714 11.974 1.00 0.00 O1- ATOM 0 H ASP A 9 16.667 22.236 16.457 1.00 0.00 H new ATOM 0 HA ASP A 9 15.777 23.874 14.301 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.164 23.542 15.080 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.114 21.926 14.404 1.00 0.00 H new ATOM 129 N ALA A 10 15.379 20.637 14.085 1.00 0.00 N ATOM 130 CA ALA A 10 14.775 19.564 13.295 1.00 0.00 C ATOM 131 C ALA A 10 13.297 19.833 13.076 1.00 0.00 C ATOM 132 O ALA A 10 12.699 19.328 12.129 1.00 0.00 O ATOM 133 CB ALA A 10 14.976 18.198 13.958 1.00 0.00 C ATOM 0 H ALA A 10 15.658 20.362 15.027 1.00 0.00 H new ATOM 0 HA ALA A 10 15.276 19.542 12.327 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.515 17.424 13.344 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.042 17.995 14.057 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.514 18.201 14.945 1.00 0.00 H new ATOM 139 N GLU A 11 12.717 20.644 13.955 1.00 0.00 N ATOM 140 CA GLU A 11 11.313 21.008 13.845 1.00 0.00 C ATOM 141 C GLU A 11 11.146 22.077 12.782 1.00 0.00 C ATOM 142 O GLU A 11 10.283 21.973 11.915 1.00 0.00 O ATOM 143 CB GLU A 11 10.754 21.502 15.189 1.00 0.00 C ATOM 144 CG GLU A 11 9.307 21.958 15.115 1.00 0.00 C ATOM 145 CD GLU A 11 8.784 22.458 16.436 1.00 0.00 C ATOM 146 OE1 GLU A 11 8.071 21.702 17.120 1.00 0.00 O ATOM 147 OE2 GLU A 11 9.078 23.619 16.799 1.00 0.00 O1- ATOM 0 H GLU A 11 13.200 21.061 14.751 1.00 0.00 H new ATOM 0 HA GLU A 11 10.750 20.119 13.560 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.837 20.701 15.924 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.369 22.328 15.547 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.218 22.750 14.371 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.687 21.129 14.774 1.00 0.00 H new ATOM 154 N LEU A 12 11.995 23.098 12.844 1.00 0.00 N ATOM 155 CA LEU A 12 11.967 24.180 11.855 1.00 0.00 C ATOM 156 C LEU A 12 12.191 23.609 10.460 1.00 0.00 C ATOM 157 O LEU A 12 11.508 23.982 9.505 1.00 0.00 O ATOM 158 CB LEU A 12 13.033 25.248 12.168 1.00 0.00 C ATOM 159 CG LEU A 12 13.087 26.438 11.204 1.00 0.00 C ATOM 160 CD1 LEU A 12 11.791 27.236 11.255 1.00 0.00 C ATOM 161 CD2 LEU A 12 14.278 27.328 11.523 1.00 0.00 C ATOM 0 H LEU A 12 12.710 23.203 13.564 1.00 0.00 H new ATOM 0 HA LEU A 12 10.989 24.659 11.898 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.856 25.627 13.174 1.00 0.00 H new ATOM 0 HB3 LEU A 12 14.011 24.767 12.177 1.00 0.00 H new ATOM 0 HG LEU A 12 13.207 26.052 10.192 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.853 28.075 10.562 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.957 26.594 10.973 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.634 27.611 12.266 1.00 0.00 H new ATOM 0 HD21 LEU A 12 14.301 28.168 10.829 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.190 27.702 12.543 1.00 0.00 H new ATOM 0 HD23 LEU A 12 15.199 26.752 11.426 1.00 0.00 H new ATOM 173 N GLN A 13 13.136 22.683 10.362 1.00 0.00 N ATOM 174 CA GLN A 13 13.438 22.029 9.089 1.00 0.00 C ATOM 175 C GLN A 13 12.251 21.177 8.650 1.00 0.00 C ATOM 176 O GLN A 13 11.907 21.128 7.470 1.00 0.00 O ATOM 177 CB GLN A 13 14.701 21.156 9.208 1.00 0.00 C ATOM 178 CG GLN A 13 15.169 20.559 7.891 1.00 0.00 C ATOM 179 CD GLN A 13 16.418 19.717 8.055 1.00 0.00 C ATOM 180 OE1 GLN A 13 17.538 20.218 7.956 1.00 0.00 O ATOM 181 NE2 GLN A 13 16.235 18.435 8.304 1.00 0.00 N ATOM 0 H GLN A 13 13.707 22.366 11.145 1.00 0.00 H new ATOM 0 HA GLN A 13 13.625 22.799 8.340 1.00 0.00 H new ATOM 0 HB2 GLN A 13 15.507 21.757 9.629 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.506 20.347 9.912 1.00 0.00 H new ATOM 0 HG2 GLN A 13 14.373 19.946 7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 13 15.365 21.361 7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.289 18.060 8.378 1.00 0.00 H new ATOM 0 HE22 GLN A 13 17.039 17.819 8.422 1.00 0.00 H new ATOM 190 N ARG A 14 11.615 20.531 9.619 1.00 0.00 N ATOM 191 CA ARG A 14 10.462 19.673 9.351 1.00 0.00 C ATOM 192 C ARG A 14 9.297 20.477 8.790 1.00 0.00 C ATOM 193 O ARG A 14 8.758 20.145 7.747 1.00 0.00 O ATOM 194 CB ARG A 14 10.019 18.922 10.622 1.00 0.00 C ATOM 195 CG ARG A 14 8.796 18.042 10.425 1.00 0.00 C ATOM 196 CD ARG A 14 9.026 16.997 9.348 1.00 0.00 C ATOM 197 NE ARG A 14 7.818 16.226 9.077 1.00 0.00 N ATOM 198 CZ ARG A 14 7.479 15.760 7.870 1.00 0.00 C ATOM 199 NH1 ARG A 14 8.264 15.987 6.818 1.00 0.00 N1+ ATOM 200 NH2 ARG A 14 6.355 15.074 7.719 1.00 0.00 N ATOM 0 H ARG A 14 11.878 20.584 10.603 1.00 0.00 H new ATOM 0 HA ARG A 14 10.770 18.941 8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.846 18.304 10.973 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.808 19.649 11.406 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.547 17.548 11.364 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.941 18.662 10.155 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.359 17.486 8.432 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.825 16.324 9.659 1.00 0.00 H new ATOM 0 HE ARG A 14 7.192 16.030 9.858 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.127 16.518 6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.002 15.630 5.899 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.750 14.902 8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.095 14.718 6.799 1.00 0.00 H new ATOM 214 N LEU A 15 8.926 21.541 9.485 1.00 0.00 N ATOM 215 CA LEU A 15 7.792 22.379 9.065 1.00 0.00 C ATOM 216 C LEU A 15 8.060 23.080 7.737 1.00 0.00 C ATOM 217 O LEU A 15 7.133 23.393 6.995 1.00 0.00 O ATOM 218 CB LEU A 15 7.410 23.412 10.149 1.00 0.00 C ATOM 219 CG LEU A 15 6.524 22.899 11.303 1.00 0.00 C ATOM 220 CD1 LEU A 15 7.152 21.709 12.011 1.00 0.00 C ATOM 221 CD2 LEU A 15 6.256 24.018 12.292 1.00 0.00 C ATOM 0 H LEU A 15 9.386 21.852 10.341 1.00 0.00 H new ATOM 0 HA LEU A 15 6.947 21.704 8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.328 23.814 10.576 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.894 24.241 9.664 1.00 0.00 H new ATOM 0 HG LEU A 15 5.580 22.564 10.873 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.497 21.378 12.817 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.292 20.895 11.300 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.118 22.000 12.425 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.630 23.645 13.102 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.201 24.377 12.700 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.745 24.837 11.785 1.00 0.00 H new ATOM 233 N LYS A 16 9.324 23.317 7.437 1.00 0.00 N ATOM 234 CA LYS A 16 9.692 23.974 6.194 1.00 0.00 C ATOM 235 C LYS A 16 9.684 22.975 5.035 1.00 0.00 C ATOM 236 O LYS A 16 9.349 23.328 3.895 1.00 0.00 O ATOM 237 CB LYS A 16 11.068 24.630 6.329 1.00 0.00 C ATOM 238 CG LYS A 16 11.474 25.479 5.137 1.00 0.00 C ATOM 239 CD LYS A 16 12.824 26.132 5.366 1.00 0.00 C ATOM 240 CE LYS A 16 13.230 27.001 4.187 1.00 0.00 C ATOM 241 NZ LYS A 16 14.559 27.626 4.395 1.00 0.00 N1+ ATOM 0 H LYS A 16 10.112 23.066 8.034 1.00 0.00 H new ATOM 0 HA LYS A 16 8.957 24.750 5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.075 25.253 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.816 23.851 6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.514 24.859 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.721 26.247 4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.787 26.739 6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.579 25.362 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.251 26.397 3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.482 27.779 4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.801 28.211 3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.533 28.223 5.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.277 26.883 4.515 1.00 0.00 H new ATOM 255 N ASN A 17 10.041 21.730 5.335 1.00 0.00 N ATOM 256 CA ASN A 17 10.086 20.666 4.319 1.00 0.00 C ATOM 257 C ASN A 17 8.711 20.017 4.121 1.00 0.00 C ATOM 258 O ASN A 17 8.352 19.632 3.007 1.00 0.00 O ATOM 259 CB ASN A 17 11.153 19.599 4.676 1.00 0.00 C ATOM 260 CG ASN A 17 11.136 18.408 3.731 1.00 0.00 C ATOM 261 OD1 ASN A 17 10.436 17.422 3.968 1.00 0.00 O ATOM 262 ND2 ASN A 17 11.916 18.482 2.670 1.00 0.00 N ATOM 0 H ASN A 17 10.305 21.426 6.272 1.00 0.00 H new ATOM 0 HA ASN A 17 10.371 21.130 3.375 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.141 20.059 4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.985 19.251 5.695 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.955 17.705 2.010 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.481 19.316 2.509 1.00 0.00 H new ATOM 269 N GLU A 18 7.941 19.910 5.198 1.00 0.00 N ATOM 270 CA GLU A 18 6.599 19.330 5.127 1.00 0.00 C ATOM 271 C GLU A 18 5.662 20.369 4.524 1.00 0.00 C ATOM 272 O GLU A 18 5.173 20.201 3.399 1.00 0.00 O ATOM 273 CB GLU A 18 6.136 18.871 6.535 1.00 0.00 C ATOM 274 CG GLU A 18 4.884 18.001 6.558 1.00 0.00 C ATOM 275 CD GLU A 18 3.609 18.801 6.548 1.00 0.00 C ATOM 276 OE1 GLU A 18 3.197 19.283 7.624 1.00 0.00 O ATOM 277 OE2 GLU A 18 3.006 18.944 5.481 1.00 0.00 O1- ATOM 0 H GLU A 18 8.220 20.216 6.130 1.00 0.00 H new ATOM 0 HA GLU A 18 6.595 18.444 4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.950 18.320 7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.955 19.755 7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.895 17.336 5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.903 17.370 7.447 1.00 0.00 H new ATOM 284 N ARG A 19 5.437 21.449 5.280 1.00 0.00 N ATOM 285 CA ARG A 19 4.700 22.629 4.814 1.00 0.00 C ATOM 286 C ARG A 19 3.214 22.358 4.509 1.00 0.00 C ATOM 287 O ARG A 19 2.332 22.843 5.217 1.00 0.00 O ATOM 288 CB ARG A 19 5.403 23.218 3.588 1.00 0.00 C ATOM 289 CG ARG A 19 4.955 24.613 3.208 1.00 0.00 C ATOM 290 CD ARG A 19 5.745 25.125 2.016 1.00 0.00 C ATOM 291 NE ARG A 19 7.195 25.010 2.232 1.00 0.00 N ATOM 292 CZ ARG A 19 8.126 25.521 1.422 1.00 0.00 C ATOM 293 NH1 ARG A 19 7.772 26.211 0.345 1.00 0.00 N1+ ATOM 294 NH2 ARG A 19 9.412 25.335 1.694 1.00 0.00 N ATOM 0 H ARG A 19 5.765 21.529 6.243 1.00 0.00 H new ATOM 0 HA ARG A 19 4.703 23.346 5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 19 6.477 23.235 3.776 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.238 22.555 2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.891 24.606 2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.088 25.286 4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.464 24.563 1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.487 26.167 1.829 1.00 0.00 H new ATOM 0 HE ARG A 19 7.512 24.504 3.059 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.785 26.353 0.132 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.487 26.599 -0.270 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.687 24.803 2.520 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.125 25.724 1.077 1.00 0.00 H new ATOM 308 N HIS A 20 2.951 21.603 3.456 1.00 0.00 N ATOM 309 CA HIS A 20 1.577 21.352 3.009 1.00 0.00 C ATOM 310 C HIS A 20 1.377 19.890 2.601 1.00 0.00 C ATOM 311 O HIS A 20 0.305 19.512 2.141 1.00 0.00 O ATOM 312 CB HIS A 20 1.248 22.265 1.813 1.00 0.00 C ATOM 313 CG HIS A 20 2.115 22.016 0.602 1.00 0.00 C ATOM 314 ND1 HIS A 20 3.336 22.632 0.404 1.00 0.00 N ATOM 315 CD2 HIS A 20 1.936 21.200 -0.465 1.00 0.00 C ATOM 316 CE1 HIS A 20 3.866 22.203 -0.730 1.00 0.00 C ATOM 317 NE2 HIS A 20 3.036 21.335 -1.273 1.00 0.00 N ATOM 0 H HIS A 20 3.667 21.149 2.889 1.00 0.00 H new ATOM 0 HA HIS A 20 0.908 21.568 3.842 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.203 22.124 1.536 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.358 23.305 2.120 1.00 0.00 H new ATOM 0 HD2 HIS A 20 1.084 20.561 -0.646 1.00 0.00 H new ATOM 0 HE1 HIS A 20 4.816 22.511 -1.140 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.187 20.842 -2.153 1.00 0.00 H new ATOM 325 N GLU A 21 2.404 19.085 2.776 1.00 0.00 N ATOM 326 CA GLU A 21 2.361 17.678 2.364 1.00 0.00 C ATOM 327 C GLU A 21 1.356 16.876 3.176 1.00 0.00 C ATOM 328 O GLU A 21 0.525 16.152 2.618 1.00 0.00 O ATOM 329 CB GLU A 21 3.752 17.042 2.470 1.00 0.00 C ATOM 330 CG GLU A 21 4.711 17.504 1.393 1.00 0.00 C ATOM 331 CD GLU A 21 4.383 16.899 0.046 1.00 0.00 C ATOM 332 OE1 GLU A 21 5.143 16.013 -0.415 1.00 0.00 O ATOM 333 OE2 GLU A 21 3.362 17.285 -0.551 1.00 0.00 O1- ATOM 0 H GLU A 21 3.286 19.372 3.201 1.00 0.00 H new ATOM 0 HA GLU A 21 2.037 17.658 1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.176 17.275 3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.652 15.958 2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.678 18.591 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.729 17.234 1.674 1.00 0.00 H new ATOM 340 N GLU A 22 1.415 17.024 4.477 1.00 0.00 N ATOM 341 CA GLU A 22 0.544 16.266 5.368 1.00 0.00 C ATOM 342 C GLU A 22 -0.903 16.756 5.283 1.00 0.00 C ATOM 343 O GLU A 22 -1.843 15.966 5.400 1.00 0.00 O ATOM 344 CB GLU A 22 1.067 16.311 6.814 1.00 0.00 C ATOM 345 CG GLU A 22 0.204 15.569 7.810 1.00 0.00 C ATOM 346 CD GLU A 22 0.786 15.610 9.196 1.00 0.00 C ATOM 347 OE1 GLU A 22 1.243 14.558 9.684 1.00 0.00 O ATOM 348 OE2 GLU A 22 0.807 16.694 9.802 1.00 0.00 O1- ATOM 0 H GLU A 22 2.055 17.661 4.951 1.00 0.00 H new ATOM 0 HA GLU A 22 0.554 15.226 5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.072 15.891 6.838 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.149 17.352 7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.794 16.007 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.094 14.532 7.493 1.00 0.00 H new ATOM 355 N ALA A 23 -1.083 18.049 5.048 1.00 0.00 N ATOM 356 CA ALA A 23 -2.425 18.613 4.949 1.00 0.00 C ATOM 357 C ALA A 23 -3.057 18.260 3.610 1.00 0.00 C ATOM 358 O ALA A 23 -4.286 18.186 3.491 1.00 0.00 O ATOM 359 CB ALA A 23 -2.416 20.130 5.166 1.00 0.00 C ATOM 0 H ALA A 23 -0.327 18.722 4.923 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.029 18.173 5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.432 20.515 5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.021 20.353 6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.788 20.602 4.410 1.00 0.00 H new ATOM 365 N GLU A 24 -2.214 18.023 2.611 1.00 0.00 N ATOM 366 CA GLU A 24 -2.685 17.669 1.277 1.00 0.00 C ATOM 367 C GLU A 24 -3.240 16.253 1.280 1.00 0.00 C ATOM 368 O GLU A 24 -4.374 16.018 0.857 1.00 0.00 O ATOM 369 CB GLU A 24 -1.556 17.793 0.240 1.00 0.00 C ATOM 370 CG GLU A 24 -2.011 17.596 -1.196 1.00 0.00 C ATOM 371 CD GLU A 24 -2.984 18.660 -1.648 1.00 0.00 C ATOM 372 OE1 GLU A 24 -2.538 19.778 -1.976 1.00 0.00 O ATOM 373 OE2 GLU A 24 -4.199 18.387 -1.693 1.00 0.00 O1- ATOM 0 H GLU A 24 -1.199 18.070 2.700 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.477 18.364 1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.098 18.778 0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.784 17.059 0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.141 17.602 -1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.478 16.616 -1.294 1.00 0.00 H new ATOM 380 N LEU A 25 -2.448 15.312 1.784 1.00 0.00 N ATOM 381 CA LEU A 25 -2.881 13.915 1.839 1.00 0.00 C ATOM 382 C LEU A 25 -4.073 13.759 2.784 1.00 0.00 C ATOM 383 O LEU A 25 -4.941 12.914 2.569 1.00 0.00 O ATOM 384 CB LEU A 25 -1.728 12.969 2.250 1.00 0.00 C ATOM 385 CG LEU A 25 -2.077 11.474 2.275 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.505 10.996 0.894 1.00 0.00 C ATOM 387 CD2 LEU A 25 -0.897 10.659 2.781 1.00 0.00 C ATOM 0 H LEU A 25 -1.514 15.485 2.156 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.192 13.629 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.896 13.119 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.379 13.259 3.241 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.914 11.331 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.747 9.934 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.382 11.556 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.692 11.155 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.163 9.602 2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.041 10.811 2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.640 10.979 3.791 1.00 0.00 H new ATOM 399 N GLU A 26 -4.130 14.604 3.813 1.00 0.00 N ATOM 400 CA GLU A 26 -5.236 14.558 4.761 1.00 0.00 C ATOM 401 C GLU A 26 -6.499 15.104 4.106 1.00 0.00 C ATOM 402 O GLU A 26 -7.612 14.698 4.435 1.00 0.00 O ATOM 403 CB GLU A 26 -4.910 15.344 6.044 1.00 0.00 C ATOM 404 CG GLU A 26 -5.923 15.145 7.163 1.00 0.00 C ATOM 405 CD GLU A 26 -6.063 13.689 7.570 1.00 0.00 C ATOM 406 OE1 GLU A 26 -5.133 13.155 8.217 1.00 0.00 O ATOM 407 OE2 GLU A 26 -7.101 13.076 7.255 1.00 0.00 O1- ATOM 0 H GLU A 26 -3.430 15.320 4.008 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.400 13.519 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.925 15.045 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.853 16.406 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.622 15.734 8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.893 15.524 6.842 1.00 0.00 H new ATOM 414 N ARG A 27 -6.321 16.014 3.156 1.00 0.00 N ATOM 415 CA ARG A 27 -7.455 16.574 2.433 1.00 0.00 C ATOM 416 C ARG A 27 -8.051 15.509 1.528 1.00 0.00 C ATOM 417 O ARG A 27 -9.268 15.355 1.452 1.00 0.00 O ATOM 418 CB ARG A 27 -7.058 17.805 1.600 1.00 0.00 C ATOM 419 CG ARG A 27 -8.249 18.528 0.991 1.00 0.00 C ATOM 420 CD ARG A 27 -9.108 19.174 2.069 1.00 0.00 C ATOM 421 NE ARG A 27 -10.374 19.674 1.539 1.00 0.00 N ATOM 422 CZ ARG A 27 -10.697 20.962 1.426 1.00 0.00 C ATOM 423 NH1 ARG A 27 -9.818 21.909 1.737 1.00 0.00 N1+ ATOM 424 NH2 ARG A 27 -11.899 21.294 0.986 1.00 0.00 N ATOM 0 H ARG A 27 -5.411 16.377 2.871 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.192 16.900 3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.504 18.500 2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.384 17.493 0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.899 19.291 0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.850 17.824 0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.307 18.447 2.856 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.557 19.996 2.526 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.062 18.986 1.233 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.887 21.653 2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.074 22.892 1.647 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.570 20.567 0.737 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.156 22.277 0.896 1.00 0.00 H new ATOM 438 N LEU A 28 -7.174 14.756 0.867 1.00 0.00 N ATOM 439 CA LEU A 28 -7.592 13.671 -0.017 1.00 0.00 C ATOM 440 C LEU A 28 -8.247 12.556 0.792 1.00 0.00 C ATOM 441 O LEU A 28 -9.029 11.760 0.269 1.00 0.00 O ATOM 442 CB LEU A 28 -6.387 13.120 -0.791 1.00 0.00 C ATOM 443 CG LEU A 28 -5.575 14.152 -1.579 1.00 0.00 C ATOM 444 CD1 LEU A 28 -4.376 13.496 -2.239 1.00 0.00 C ATOM 445 CD2 LEU A 28 -6.447 14.840 -2.617 1.00 0.00 C ATOM 0 H LEU A 28 -6.163 14.879 0.928 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.317 14.063 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.721 12.624 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.742 12.358 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.212 14.907 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.811 14.245 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.737 13.053 -1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.717 12.718 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.852 15.570 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.842 14.097 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.274 15.347 -2.119 1.00 0.00 H new ATOM 457 N LYS A 29 -7.924 12.514 2.075 1.00 0.00 N ATOM 458 CA LYS A 29 -8.486 11.527 2.974 1.00 0.00 C ATOM 459 C LYS A 29 -9.836 12.011 3.508 1.00 0.00 C ATOM 460 O LYS A 29 -10.746 11.211 3.733 1.00 0.00 O ATOM 461 CB LYS A 29 -7.509 11.227 4.136 1.00 0.00 C ATOM 462 CG LYS A 29 -7.990 10.156 5.098 1.00 0.00 C ATOM 463 CD LYS A 29 -7.016 9.983 6.252 1.00 0.00 C ATOM 464 CE LYS A 29 -7.483 8.915 7.223 1.00 0.00 C ATOM 465 NZ LYS A 29 -7.506 7.576 6.598 1.00 0.00 N1+ ATOM 0 H LYS A 29 -7.269 13.159 2.517 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.644 10.601 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.550 10.919 3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.333 12.147 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.973 10.424 5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.103 9.210 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.033 9.717 5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.904 10.930 6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.824 8.900 8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.480 9.164 7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.631 6.852 7.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.294 7.522 5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.609 7.411 6.098 1.00 0.00 H new ATOM 479 N SER A 30 -9.976 13.328 3.662 1.00 0.00 N ATOM 480 CA SER A 30 -11.202 13.908 4.185 1.00 0.00 C ATOM 481 C SER A 30 -12.299 13.945 3.116 1.00 0.00 C ATOM 482 O SER A 30 -13.472 13.719 3.417 1.00 0.00 O ATOM 483 CB SER A 30 -10.939 15.310 4.766 1.00 0.00 C ATOM 484 OG SER A 30 -9.925 15.261 5.760 1.00 0.00 O ATOM 0 H SER A 30 -9.253 14.009 3.431 1.00 0.00 H new ATOM 0 HA SER A 30 -11.557 13.271 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.640 15.989 3.968 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.858 15.709 5.196 1.00 0.00 H new ATOM 0 HG SER A 30 -9.064 15.059 5.339 1.00 0.00 H new ATOM 490 N GLU A 31 -11.916 14.207 1.871 1.00 0.00 N ATOM 491 CA GLU A 31 -12.866 14.234 0.783 1.00 0.00 C ATOM 492 C GLU A 31 -12.202 13.644 -0.479 1.00 0.00 C ATOM 493 O GLU A 31 -10.998 13.834 -0.684 1.00 0.00 O ATOM 494 CB GLU A 31 -13.373 15.663 0.530 1.00 0.00 C ATOM 495 CG GLU A 31 -12.301 16.656 0.124 1.00 0.00 C ATOM 496 CD GLU A 31 -12.865 18.038 -0.086 1.00 0.00 C ATOM 497 OE1 GLU A 31 -13.217 18.376 -1.231 1.00 0.00 O ATOM 498 OE2 GLU A 31 -12.966 18.793 0.896 1.00 0.00 O1- ATOM 0 H GLU A 31 -10.953 14.403 1.598 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.734 13.629 1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.133 15.631 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.861 16.026 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.529 16.692 0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.821 16.317 -0.794 1.00 0.00 H new ATOM 505 N ARG A 32 -12.966 12.940 -1.328 1.00 0.00 N ATOM 506 CA ARG A 32 -12.381 12.274 -2.471 1.00 0.00 C ATOM 507 C ARG A 32 -13.462 11.829 -3.435 1.00 0.00 C ATOM 508 O ARG A 32 -13.266 11.827 -4.655 1.00 0.00 O ATOM 509 CB ARG A 32 -11.578 11.063 -1.986 1.00 0.00 C ATOM 510 CG ARG A 32 -10.949 10.226 -3.078 1.00 0.00 C ATOM 511 CD ARG A 32 -10.212 9.044 -2.481 1.00 0.00 C ATOM 512 NE ARG A 32 -9.672 8.152 -3.501 1.00 0.00 N ATOM 513 CZ ARG A 32 -8.806 7.169 -3.250 1.00 0.00 C ATOM 514 NH1 ARG A 32 -8.380 6.951 -2.010 1.00 0.00 N1+ ATOM 515 NH2 ARG A 32 -8.371 6.406 -4.236 1.00 0.00 N ATOM 0 H ARG A 32 -13.975 12.826 -1.236 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.722 12.967 -2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.790 11.413 -1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.235 10.425 -1.395 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.719 9.873 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.259 10.836 -3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.399 9.406 -1.852 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.890 8.485 -1.836 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.975 8.288 -4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.715 7.537 -1.245 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.718 6.198 -1.823 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.697 6.569 -5.189 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.709 5.654 -4.045 1.00 0.00 H new ATOM 529 N HIS A 33 -14.606 11.457 -2.892 1.00 0.00 N ATOM 530 CA HIS A 33 -15.706 10.979 -3.705 1.00 0.00 C ATOM 531 C HIS A 33 -16.970 11.805 -3.472 1.00 0.00 C ATOM 532 O HIS A 33 -16.939 12.809 -2.759 1.00 0.00 O ATOM 533 CB HIS A 33 -15.978 9.503 -3.423 1.00 0.00 C ATOM 534 CG HIS A 33 -14.937 8.586 -3.978 1.00 0.00 C ATOM 535 ND1 HIS A 33 -13.970 7.982 -3.203 1.00 0.00 N ATOM 536 CD2 HIS A 33 -14.717 8.165 -5.242 1.00 0.00 C ATOM 537 CE1 HIS A 33 -13.202 7.231 -3.972 1.00 0.00 C ATOM 538 NE2 HIS A 33 -13.635 7.322 -5.212 1.00 0.00 N ATOM 0 H HIS A 33 -14.797 11.477 -1.890 1.00 0.00 H new ATOM 0 HA HIS A 33 -15.419 11.091 -4.751 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -16.044 9.354 -2.345 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -16.948 9.234 -3.842 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -15.288 8.441 -6.116 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.360 6.641 -3.639 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.232 6.844 -6.018 1.00 0.00 H new ATOM 546 N ASP A 34 -18.089 11.358 -4.057 1.00 0.00 N ATOM 547 CA ASP A 34 -19.360 12.073 -3.969 1.00 0.00 C ATOM 548 C ASP A 34 -19.874 12.138 -2.540 1.00 0.00 C ATOM 549 O ASP A 34 -20.577 13.070 -2.181 1.00 0.00 O ATOM 550 CB ASP A 34 -20.414 11.406 -4.867 1.00 0.00 C ATOM 551 CG ASP A 34 -20.740 9.980 -4.443 1.00 0.00 C ATOM 552 OD1 ASP A 34 -19.982 9.059 -4.813 1.00 0.00 O ATOM 553 OD2 ASP A 34 -21.759 9.776 -3.751 1.00 0.00 O1- ATOM 0 H ASP A 34 -18.135 10.496 -4.600 1.00 0.00 H new ATOM 0 HA ASP A 34 -19.182 13.092 -4.311 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -21.327 12.002 -4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -20.055 11.400 -5.896 1.00 0.00 H new ATOM 558 N HIS A 35 -19.491 11.157 -1.728 1.00 0.00 N ATOM 559 CA HIS A 35 -19.948 11.050 -0.333 1.00 0.00 C ATOM 560 C HIS A 35 -19.787 12.362 0.444 1.00 0.00 C ATOM 561 O HIS A 35 -20.633 12.710 1.266 1.00 0.00 O ATOM 562 CB HIS A 35 -19.204 9.922 0.389 1.00 0.00 C ATOM 563 CG HIS A 35 -19.434 8.567 -0.204 1.00 0.00 C ATOM 564 ND1 HIS A 35 -18.647 8.042 -1.207 1.00 0.00 N ATOM 565 CD2 HIS A 35 -20.370 7.624 0.066 1.00 0.00 C ATOM 566 CE1 HIS A 35 -19.088 6.838 -1.528 1.00 0.00 C ATOM 567 NE2 HIS A 35 -20.131 6.562 -0.770 1.00 0.00 N ATOM 0 H HIS A 35 -18.856 10.411 -2.012 1.00 0.00 H new ATOM 0 HA HIS A 35 -21.013 10.823 -0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -18.136 10.137 0.375 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -19.512 9.907 1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -21.157 7.695 0.802 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -18.666 6.191 -2.283 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -20.673 5.698 -0.800 1.00 0.00 H new ATOM 575 N ASP A 36 -18.713 13.090 0.170 1.00 0.00 N ATOM 576 CA ASP A 36 -18.451 14.350 0.881 1.00 0.00 C ATOM 577 C ASP A 36 -19.478 15.419 0.548 1.00 0.00 C ATOM 578 O ASP A 36 -20.161 15.940 1.429 1.00 0.00 O ATOM 579 CB ASP A 36 -17.045 14.895 0.569 1.00 0.00 C ATOM 580 CG ASP A 36 -16.825 16.284 1.156 1.00 0.00 C ATOM 581 OD1 ASP A 36 -16.733 16.402 2.394 1.00 0.00 O ATOM 582 OD2 ASP A 36 -16.742 17.260 0.378 1.00 0.00 O1- ATOM 0 H ASP A 36 -18.013 12.841 -0.529 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.520 14.115 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.295 14.211 0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -16.902 14.932 -0.511 1.00 0.00 H new ATOM 587 N LYS A 37 -19.608 15.714 -0.722 1.00 0.00 N ATOM 588 CA LYS A 37 -20.442 16.816 -1.163 1.00 0.00 C ATOM 589 C LYS A 37 -21.898 16.411 -1.341 1.00 0.00 C ATOM 590 O LYS A 37 -22.780 17.259 -1.376 1.00 0.00 O ATOM 591 CB LYS A 37 -19.851 17.425 -2.427 1.00 0.00 C ATOM 592 CG LYS A 37 -18.345 17.577 -2.311 1.00 0.00 C ATOM 593 CD LYS A 37 -17.755 18.509 -3.340 1.00 0.00 C ATOM 594 CE LYS A 37 -16.236 18.526 -3.226 1.00 0.00 C ATOM 595 NZ LYS A 37 -15.786 18.678 -1.812 1.00 0.00 N1+ ATOM 0 H LYS A 37 -19.146 15.206 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 37 -20.450 17.576 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -20.091 16.795 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -20.304 18.399 -2.611 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.100 17.946 -1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.880 16.596 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.048 18.190 -4.340 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.149 19.515 -3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.831 17.602 -3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.836 19.345 -3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.756 18.821 -1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.259 19.499 -1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.028 17.820 -1.276 1.00 0.00 H new ATOM 609 N LYS A 38 -22.150 15.119 -1.448 1.00 0.00 N ATOM 610 CA LYS A 38 -23.524 14.619 -1.557 1.00 0.00 C ATOM 611 C LYS A 38 -24.296 14.957 -0.285 1.00 0.00 C ATOM 612 O LYS A 38 -25.477 15.319 -0.330 1.00 0.00 O ATOM 613 CB LYS A 38 -23.551 13.101 -1.787 1.00 0.00 C ATOM 614 CG LYS A 38 -24.943 12.533 -1.979 1.00 0.00 C ATOM 615 CD LYS A 38 -24.920 11.019 -1.971 1.00 0.00 C ATOM 616 CE LYS A 38 -26.312 10.446 -2.148 1.00 0.00 C ATOM 617 NZ LYS A 38 -26.327 8.978 -1.988 1.00 0.00 N1+ ATOM 0 H LYS A 38 -21.432 14.395 -1.462 1.00 0.00 H new ATOM 0 HA LYS A 38 -23.992 15.101 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -22.949 12.866 -2.665 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -23.082 12.606 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -25.599 12.894 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -25.357 12.889 -2.922 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -24.272 10.659 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -24.495 10.665 -1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -26.986 10.898 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -26.689 10.707 -3.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -27.297 8.625 -2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -25.704 8.545 -2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -25.991 8.729 -1.036 1.00 0.00 H new ATOM 631 N GLU A 39 -23.618 14.852 0.850 1.00 0.00 N ATOM 632 CA GLU A 39 -24.232 15.157 2.128 1.00 0.00 C ATOM 633 C GLU A 39 -24.367 16.663 2.314 1.00 0.00 C ATOM 634 O GLU A 39 -25.301 17.136 2.960 1.00 0.00 O ATOM 635 CB GLU A 39 -23.441 14.531 3.282 1.00 0.00 C ATOM 636 CG GLU A 39 -23.327 13.017 3.191 1.00 0.00 C ATOM 637 CD GLU A 39 -24.677 12.335 3.146 1.00 0.00 C ATOM 638 OE1 GLU A 39 -25.208 11.982 4.218 1.00 0.00 O ATOM 639 OE2 GLU A 39 -25.218 12.153 2.042 1.00 0.00 O1- ATOM 0 H GLU A 39 -22.643 14.558 0.908 1.00 0.00 H new ATOM 0 HA GLU A 39 -25.232 14.722 2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -22.440 14.962 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -23.920 14.795 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -22.760 12.752 2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -22.765 12.646 4.048 1.00 0.00 H new ATOM 646 N ALA A 40 -23.448 17.420 1.715 1.00 0.00 N ATOM 647 CA ALA A 40 -23.505 18.875 1.799 1.00 0.00 C ATOM 648 C ALA A 40 -24.601 19.402 0.885 1.00 0.00 C ATOM 649 O ALA A 40 -25.188 20.453 1.138 1.00 0.00 O ATOM 650 CB ALA A 40 -22.151 19.511 1.467 1.00 0.00 C ATOM 0 H ALA A 40 -22.665 17.054 1.173 1.00 0.00 H new ATOM 0 HA ALA A 40 -23.742 19.152 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -22.231 20.596 1.540 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -21.399 19.155 2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -21.858 19.236 0.454 1.00 0.00 H new ATOM 656 N GLU A 41 -24.887 18.646 -0.172 1.00 0.00 N ATOM 657 CA GLU A 41 -25.956 18.991 -1.096 1.00 0.00 C ATOM 658 C GLU A 41 -27.289 18.798 -0.391 1.00 0.00 C ATOM 659 O GLU A 41 -28.185 19.641 -0.480 1.00 0.00 O ATOM 660 CB GLU A 41 -25.860 18.135 -2.388 1.00 0.00 C ATOM 661 CG GLU A 41 -26.872 18.487 -3.478 1.00 0.00 C ATOM 662 CD GLU A 41 -28.170 17.718 -3.348 1.00 0.00 C ATOM 663 OE1 GLU A 41 -28.177 16.509 -3.648 1.00 0.00 O ATOM 664 OE2 GLU A 41 -29.187 18.317 -2.958 1.00 0.00 O1- ATOM 0 H GLU A 41 -24.389 17.788 -0.408 1.00 0.00 H new ATOM 0 HA GLU A 41 -25.865 20.034 -1.400 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -24.856 18.238 -2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -25.988 17.086 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -27.083 19.556 -3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -26.432 18.284 -4.454 1.00 0.00 H new ATOM 671 N ARG A 42 -27.400 17.694 0.345 1.00 0.00 N ATOM 672 CA ARG A 42 -28.601 17.422 1.136 1.00 0.00 C ATOM 673 C ARG A 42 -28.778 18.495 2.202 1.00 0.00 C ATOM 674 O ARG A 42 -29.883 18.998 2.414 1.00 0.00 O ATOM 675 CB ARG A 42 -28.541 16.039 1.800 1.00 0.00 C ATOM 676 CG ARG A 42 -29.676 15.799 2.776 1.00 0.00 C ATOM 677 CD ARG A 42 -29.525 14.486 3.517 1.00 0.00 C ATOM 678 NE ARG A 42 -30.471 14.400 4.624 1.00 0.00 N ATOM 679 CZ ARG A 42 -30.958 13.273 5.130 1.00 0.00 C ATOM 680 NH1 ARG A 42 -30.554 12.093 4.663 1.00 0.00 N1+ ATOM 681 NH2 ARG A 42 -31.844 13.327 6.118 1.00 0.00 N ATOM 0 H ARG A 42 -26.678 16.976 0.411 1.00 0.00 H new ATOM 0 HA ARG A 42 -29.454 17.434 0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -28.565 15.270 1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -27.591 15.935 2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -29.714 16.618 3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -30.623 15.803 2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -29.687 13.656 2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -28.507 14.393 3.895 1.00 0.00 H new ATOM 0 HE ARG A 42 -30.784 15.276 5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -29.866 12.050 3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -30.933 11.232 5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -32.146 14.230 6.483 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -32.222 12.465 6.511 1.00 0.00 H new ATOM 695 N LYS A 43 -27.679 18.850 2.864 1.00 0.00 N ATOM 696 CA LYS A 43 -27.706 19.883 3.899 1.00 0.00 C ATOM 697 C LYS A 43 -28.225 21.210 3.337 1.00 0.00 C ATOM 698 O LYS A 43 -28.971 21.928 4.006 1.00 0.00 O ATOM 699 CB LYS A 43 -26.315 20.066 4.554 1.00 0.00 C ATOM 700 CG LYS A 43 -26.251 21.229 5.527 1.00 0.00 C ATOM 701 CD LYS A 43 -24.903 21.315 6.214 1.00 0.00 C ATOM 702 CE LYS A 43 -24.845 22.505 7.155 1.00 0.00 C ATOM 703 NZ LYS A 43 -25.956 22.486 8.140 1.00 0.00 N1+ ATOM 0 H LYS A 43 -26.760 18.439 2.703 1.00 0.00 H new ATOM 0 HA LYS A 43 -28.395 19.551 4.676 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -26.046 19.149 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -25.571 20.216 3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -26.447 22.160 4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -27.035 21.119 6.277 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.716 20.397 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.115 21.400 5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -23.891 22.504 7.683 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -24.888 23.428 6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -25.781 23.201 8.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -26.852 22.699 7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.015 21.545 8.579 1.00 0.00 H new ATOM 717 N ALA A 44 -27.870 21.507 2.089 1.00 0.00 N ATOM 718 CA ALA A 44 -28.305 22.737 1.445 1.00 0.00 C ATOM 719 C ALA A 44 -29.806 22.700 1.169 1.00 0.00 C ATOM 720 O ALA A 44 -30.440 23.738 0.959 1.00 0.00 O ATOM 721 CB ALA A 44 -27.529 22.965 0.154 1.00 0.00 C ATOM 0 H ALA A 44 -27.282 20.911 1.506 1.00 0.00 H new ATOM 0 HA ALA A 44 -28.103 23.568 2.121 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -27.867 23.889 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -26.465 23.039 0.377 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -27.700 22.130 -0.525 1.00 0.00 H new ATOM 727 N LEU A 45 -30.368 21.504 1.166 1.00 0.00 N ATOM 728 CA LEU A 45 -31.792 21.337 0.939 1.00 0.00 C ATOM 729 C LEU A 45 -32.562 21.375 2.264 1.00 0.00 C ATOM 730 O LEU A 45 -33.658 21.935 2.335 1.00 0.00 O ATOM 731 CB LEU A 45 -32.091 20.031 0.164 1.00 0.00 C ATOM 732 CG LEU A 45 -33.567 19.775 -0.155 1.00 0.00 C ATOM 733 CD1 LEU A 45 -34.094 20.809 -1.136 1.00 0.00 C ATOM 734 CD2 LEU A 45 -33.758 18.370 -0.700 1.00 0.00 C ATOM 0 H LEU A 45 -29.859 20.633 1.318 1.00 0.00 H new ATOM 0 HA LEU A 45 -32.130 22.171 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -31.533 20.049 -0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -31.712 19.190 0.745 1.00 0.00 H new ATOM 0 HG LEU A 45 -34.137 19.865 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -35.144 20.607 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -33.996 21.805 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -33.521 20.758 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -34.813 18.206 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -33.173 18.251 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -33.425 17.644 0.042 1.00 0.00 H new ATOM 746 N GLU A 46 -31.970 20.810 3.322 1.00 0.00 N ATOM 747 CA GLU A 46 -32.642 20.746 4.616 1.00 0.00 C ATOM 748 C GLU A 46 -32.506 22.056 5.397 1.00 0.00 C ATOM 749 O GLU A 46 -33.436 22.456 6.103 1.00 0.00 O ATOM 750 CB GLU A 46 -32.162 19.542 5.446 1.00 0.00 C ATOM 751 CG GLU A 46 -32.483 18.196 4.807 1.00 0.00 C ATOM 752 CD GLU A 46 -32.079 17.023 5.673 1.00 0.00 C ATOM 753 OE1 GLU A 46 -30.872 16.755 5.788 1.00 0.00 O ATOM 754 OE2 GLU A 46 -32.972 16.352 6.237 1.00 0.00 O1- ATOM 0 H GLU A 46 -31.038 20.396 3.305 1.00 0.00 H new ATOM 0 HA GLU A 46 -33.704 20.602 4.415 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -31.085 19.618 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -32.621 19.585 6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -33.553 18.141 4.605 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -31.973 18.125 3.846 1.00 0.00 H new ATOM 761 N ASP A 47 -31.366 22.739 5.262 1.00 0.00 N ATOM 762 CA ASP A 47 -31.193 24.033 5.942 1.00 0.00 C ATOM 763 C ASP A 47 -32.060 25.087 5.289 1.00 0.00 C ATOM 764 O ASP A 47 -32.567 25.987 5.952 1.00 0.00 O ATOM 765 CB ASP A 47 -29.720 24.502 5.993 1.00 0.00 C ATOM 766 CG ASP A 47 -28.989 24.001 7.223 1.00 0.00 C ATOM 767 OD1 ASP A 47 -28.964 24.724 8.245 1.00 0.00 O ATOM 768 OD2 ASP A 47 -28.427 22.892 7.182 1.00 0.00 O1- ATOM 0 H ASP A 47 -30.568 22.432 4.706 1.00 0.00 H new ATOM 0 HA ASP A 47 -31.507 23.888 6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -29.201 24.154 5.100 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -29.689 25.591 5.975 1.00 0.00 H new ATOM 773 N LYS A 48 -32.262 24.954 3.983 1.00 0.00 N ATOM 774 CA LYS A 48 -33.120 25.883 3.260 1.00 0.00 C ATOM 775 C LYS A 48 -34.577 25.567 3.579 1.00 0.00 C ATOM 776 O LYS A 48 -35.445 26.442 3.555 1.00 0.00 O ATOM 777 CB LYS A 48 -32.875 25.809 1.747 1.00 0.00 C ATOM 778 CG LYS A 48 -33.513 26.948 0.977 1.00 0.00 C ATOM 779 CD LYS A 48 -33.309 26.794 -0.518 1.00 0.00 C ATOM 780 CE LYS A 48 -33.821 28.009 -1.269 1.00 0.00 C ATOM 781 NZ LYS A 48 -35.245 28.291 -0.968 1.00 0.00 N1+ ATOM 0 H LYS A 48 -31.848 24.220 3.409 1.00 0.00 H new ATOM 0 HA LYS A 48 -32.885 26.898 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -31.801 25.811 1.560 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -33.263 24.863 1.370 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -34.580 26.984 1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -33.087 27.895 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -32.249 26.652 -0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -33.827 25.901 -0.868 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -33.217 28.878 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -33.702 27.849 -2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -35.610 28.992 -1.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -35.797 27.413 -1.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -35.328 28.666 -0.002 1.00 0.00 H new ATOM 795 N LEU A 49 -34.828 24.302 3.896 1.00 0.00 N ATOM 796 CA LEU A 49 -36.161 23.852 4.287 1.00 0.00 C ATOM 797 C LEU A 49 -36.518 24.442 5.643 1.00 0.00 C ATOM 798 O LEU A 49 -37.676 24.777 5.910 1.00 0.00 O ATOM 799 CB LEU A 49 -36.224 22.314 4.346 1.00 0.00 C ATOM 800 CG LEU A 49 -37.575 21.714 4.731 1.00 0.00 C ATOM 801 CD1 LEU A 49 -38.623 22.017 3.669 1.00 0.00 C ATOM 802 CD2 LEU A 49 -37.442 20.216 4.948 1.00 0.00 C ATOM 0 H LEU A 49 -34.122 23.565 3.890 1.00 0.00 H new ATOM 0 HA LEU A 49 -36.879 24.193 3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -35.939 21.921 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -35.478 21.967 5.060 1.00 0.00 H new ATOM 0 HG LEU A 49 -37.903 22.170 5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -39.577 21.580 3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -38.735 23.096 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -38.309 21.592 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -38.412 19.801 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -37.092 19.745 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -36.727 20.026 5.748 1.00 0.00 H new ATOM 814 N ALA A 50 -35.507 24.579 6.498 1.00 0.00 N ATOM 815 CA ALA A 50 -35.698 25.181 7.811 1.00 0.00 C ATOM 816 C ALA A 50 -35.901 26.681 7.665 1.00 0.00 C ATOM 817 O ALA A 50 -36.544 27.313 8.496 1.00 0.00 O ATOM 818 CB ALA A 50 -34.523 24.873 8.751 1.00 0.00 C ATOM 0 H ALA A 50 -34.551 24.282 6.304 1.00 0.00 H new ATOM 0 HA ALA A 50 -36.590 24.745 8.261 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -34.701 25.338 9.720 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -34.431 23.794 8.878 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -33.601 25.268 8.323 1.00 0.00 H new ATOM 824 N ASP A 51 -35.360 27.237 6.579 1.00 0.00 N ATOM 825 CA ASP A 51 -35.530 28.659 6.274 1.00 0.00 C ATOM 826 C ASP A 51 -36.990 28.929 5.931 1.00 0.00 C ATOM 827 O ASP A 51 -37.598 29.869 6.447 1.00 0.00 O ATOM 828 CB ASP A 51 -34.605 29.092 5.115 1.00 0.00 C ATOM 829 CG ASP A 51 -34.807 30.534 4.701 1.00 0.00 C ATOM 830 OD1 ASP A 51 -35.652 30.789 3.823 1.00 0.00 O ATOM 831 OD2 ASP A 51 -34.104 31.419 5.231 1.00 0.00 O1- ATOM 0 H ASP A 51 -34.801 26.725 5.897 1.00 0.00 H new ATOM 0 HA ASP A 51 -35.252 29.245 7.150 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -33.567 28.948 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -34.782 28.445 4.256 1.00 0.00 H new ATOM 836 N LYS A 52 -37.547 28.082 5.044 1.00 0.00 N ATOM 837 CA LYS A 52 -38.982 28.135 4.669 1.00 0.00 C ATOM 838 C LYS A 52 -39.349 29.460 3.962 1.00 0.00 C ATOM 839 O LYS A 52 -40.527 29.737 3.714 1.00 0.00 O ATOM 840 CB LYS A 52 -39.844 27.919 5.935 1.00 0.00 C ATOM 841 CG LYS A 52 -41.338 27.768 5.690 1.00 0.00 C ATOM 842 CD LYS A 52 -42.085 27.559 6.998 1.00 0.00 C ATOM 843 CE LYS A 52 -43.590 27.547 6.788 1.00 0.00 C ATOM 844 NZ LYS A 52 -44.103 28.870 6.355 1.00 0.00 N1+ ATOM 0 H LYS A 52 -37.024 27.346 4.568 1.00 0.00 H new ATOM 0 HA LYS A 52 -39.183 27.339 3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -39.486 27.028 6.450 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -39.687 28.761 6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -41.720 28.656 5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -41.518 26.923 5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -41.773 26.617 7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -41.821 28.351 7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -43.845 26.797 6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -44.083 27.253 7.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -45.138 28.889 6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -43.686 29.615 6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -43.845 29.034 5.361 1.00 0.00 H new ATOM 858 N GLN A 53 -38.329 30.255 3.628 1.00 0.00 N ATOM 859 CA GLN A 53 -38.501 31.545 2.965 1.00 0.00 C ATOM 860 C GLN A 53 -39.543 32.420 3.699 1.00 0.00 C ATOM 861 O GLN A 53 -40.712 32.460 3.296 1.00 0.00 O ATOM 862 CB GLN A 53 -38.913 31.364 1.496 1.00 0.00 C ATOM 863 CG GLN A 53 -38.965 32.676 0.723 1.00 0.00 C ATOM 864 CD GLN A 53 -39.428 32.504 -0.706 1.00 0.00 C ATOM 865 OE1 GLN A 53 -39.207 31.464 -1.328 1.00 0.00 O ATOM 866 NE2 GLN A 53 -40.069 33.523 -1.239 1.00 0.00 N ATOM 0 H GLN A 53 -37.354 30.017 3.813 1.00 0.00 H new ATOM 0 HA GLN A 53 -37.537 32.054 2.997 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -38.209 30.690 1.008 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -39.892 30.887 1.456 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -39.635 33.366 1.235 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -37.975 33.132 0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -40.232 34.367 -0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -40.403 33.469 -2.201 1.00 0.00 H new ATOM 875 N GLU A 54 -39.145 33.067 4.808 1.00 0.00 N ATOM 876 CA GLU A 54 -40.056 33.947 5.538 1.00 0.00 C ATOM 877 C GLU A 54 -40.504 35.102 4.643 1.00 0.00 C ATOM 878 O GLU A 54 -39.780 36.082 4.457 1.00 0.00 O ATOM 879 CB GLU A 54 -39.397 34.479 6.816 1.00 0.00 C ATOM 880 CG GLU A 54 -40.308 35.329 7.679 1.00 0.00 C ATOM 881 CD GLU A 54 -39.617 35.786 8.935 1.00 0.00 C ATOM 882 OE1 GLU A 54 -38.536 36.382 8.833 1.00 0.00 O ATOM 883 OE2 GLU A 54 -40.152 35.556 10.039 1.00 0.00 O1- ATOM 0 H GLU A 54 -38.210 32.995 5.209 1.00 0.00 H new ATOM 0 HA GLU A 54 -40.933 33.369 5.828 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -39.041 33.635 7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -38.522 35.068 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -40.642 36.197 7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -41.199 34.758 7.941 1.00 0.00 H new ATOM 890 N HIS A 55 -41.689 34.966 4.079 1.00 0.00 N ATOM 891 CA HIS A 55 -42.223 35.955 3.159 1.00 0.00 C ATOM 892 C HIS A 55 -43.236 36.855 3.844 1.00 0.00 C ATOM 893 O HIS A 55 -43.718 37.820 3.252 1.00 0.00 O ATOM 894 CB HIS A 55 -42.863 35.266 1.936 1.00 0.00 C ATOM 895 CG HIS A 55 -44.050 34.400 2.263 1.00 0.00 C ATOM 896 ND1 HIS A 55 -43.942 33.072 2.619 1.00 0.00 N ATOM 897 CD2 HIS A 55 -45.372 34.685 2.294 1.00 0.00 C ATOM 898 CE1 HIS A 55 -45.150 32.583 2.853 1.00 0.00 C ATOM 899 NE2 HIS A 55 -46.029 33.542 2.663 1.00 0.00 N ATOM 0 H HIS A 55 -42.307 34.171 4.244 1.00 0.00 H new ATOM 0 HA HIS A 55 -41.394 36.576 2.820 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -43.171 36.031 1.223 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -42.108 34.655 1.441 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -45.826 35.639 2.069 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -45.375 31.569 3.149 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -47.039 33.449 2.773 1.00 0.00 H new ATOM 907 N LEU A 56 -43.564 36.543 5.085 1.00 0.00 N ATOM 908 CA LEU A 56 -44.535 37.334 5.822 1.00 0.00 C ATOM 909 C LEU A 56 -43.839 38.348 6.729 1.00 0.00 C ATOM 910 O LEU A 56 -44.437 38.886 7.655 1.00 0.00 O ATOM 911 CB LEU A 56 -45.468 36.427 6.635 1.00 0.00 C ATOM 912 CG LEU A 56 -46.668 37.124 7.289 1.00 0.00 C ATOM 913 CD1 LEU A 56 -47.548 37.780 6.237 1.00 0.00 C ATOM 914 CD2 LEU A 56 -47.470 36.144 8.118 1.00 0.00 C ATOM 0 H LEU A 56 -43.176 35.754 5.601 1.00 0.00 H new ATOM 0 HA LEU A 56 -45.138 37.886 5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -45.841 35.640 5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -44.883 35.941 7.416 1.00 0.00 H new ATOM 0 HG LEU A 56 -46.289 37.902 7.951 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -48.393 38.268 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -46.967 38.521 5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -47.916 37.022 5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -48.316 36.659 8.573 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -47.835 35.340 7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -46.837 35.726 8.900 1.00 0.00 H new ATOM 926 N ASN A 57 -42.575 38.612 6.451 1.00 0.00 N ATOM 927 CA ASN A 57 -41.826 39.590 7.219 1.00 0.00 C ATOM 928 C ASN A 57 -42.413 40.983 6.999 1.00 0.00 C ATOM 929 O ASN A 57 -42.573 41.435 5.858 1.00 0.00 O ATOM 930 CB ASN A 57 -40.321 39.557 6.861 1.00 0.00 C ATOM 931 CG ASN A 57 -40.022 39.865 5.393 1.00 0.00 C ATOM 932 OD1 ASN A 57 -40.817 39.560 4.497 1.00 0.00 O ATOM 933 ND2 ASN A 57 -38.871 40.461 5.141 1.00 0.00 N ATOM 0 H ASN A 57 -42.047 38.165 5.702 1.00 0.00 H new ATOM 0 HA ASN A 57 -41.911 39.337 8.276 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -39.794 40.277 7.487 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -39.922 38.572 7.103 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -38.612 40.685 4.180 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -38.241 40.697 5.907 1.00 0.00 H new ATOM 940 N GLY A 58 -42.768 41.643 8.081 1.00 0.00 N ATOM 941 CA GLY A 58 -43.366 42.956 7.965 1.00 0.00 C ATOM 942 C GLY A 58 -42.689 43.987 8.838 1.00 0.00 C ATOM 943 O GLY A 58 -42.526 45.135 8.429 1.00 0.00 O ATOM 0 H GLY A 58 -42.656 41.300 9.035 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -43.320 43.280 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -44.421 42.895 8.234 1.00 0.00 H new ATOM 947 N ALA A 59 -42.266 43.582 10.034 1.00 0.00 N ATOM 948 CA ALA A 59 -41.620 44.503 10.950 1.00 0.00 C ATOM 949 C ALA A 59 -40.146 44.692 10.564 1.00 0.00 C ATOM 950 O ALA A 59 -39.683 44.109 9.583 1.00 0.00 O ATOM 951 CB ALA A 59 -41.739 43.989 12.375 1.00 0.00 C ATOM 0 H ALA A 59 -42.361 42.629 10.384 1.00 0.00 H new ATOM 0 HA ALA A 59 -42.117 45.471 10.887 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -41.251 44.687 13.055 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -42.792 43.898 12.642 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -41.259 43.013 12.451 1.00 0.00 H new ATOM 957 N LEU A 60 -39.404 45.488 11.333 1.00 0.00 N ATOM 958 CA LEU A 60 -37.997 45.709 11.036 1.00 0.00 C ATOM 959 C LEU A 60 -37.183 44.546 11.563 1.00 0.00 C ATOM 960 O LEU A 60 -36.518 43.849 10.790 1.00 0.00 O ATOM 961 CB LEU A 60 -37.480 47.048 11.619 1.00 0.00 C ATOM 962 CG LEU A 60 -38.000 48.338 10.945 1.00 0.00 C ATOM 963 CD1 LEU A 60 -39.496 48.519 11.157 1.00 0.00 C ATOM 964 CD2 LEU A 60 -37.242 49.551 11.462 1.00 0.00 C ATOM 0 H LEU A 60 -39.751 45.983 12.155 1.00 0.00 H new ATOM 0 HA LEU A 60 -37.885 45.774 9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -37.744 47.085 12.676 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -36.391 47.048 11.562 1.00 0.00 H new ATOM 0 HG LEU A 60 -37.826 48.242 9.873 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -39.824 49.437 10.669 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -40.029 47.670 10.730 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -39.707 48.581 12.225 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -37.621 50.451 10.977 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -37.380 49.634 12.540 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -36.181 49.439 11.240 1.00 0.00 H new ATOM 976 N ARG A 61 -37.265 44.326 12.886 1.00 0.00 N ATOM 977 CA ARG A 61 -36.588 43.193 13.545 1.00 0.00 C ATOM 978 C ARG A 61 -35.106 43.087 13.101 1.00 0.00 C ATOM 979 O ARG A 61 -34.744 42.179 12.345 1.00 0.00 O ATOM 980 CB ARG A 61 -37.328 41.894 13.195 1.00 0.00 C ATOM 981 CG ARG A 61 -36.813 40.656 13.914 1.00 0.00 C ATOM 982 CD ARG A 61 -37.390 39.399 13.294 1.00 0.00 C ATOM 983 NE ARG A 61 -37.095 39.334 11.862 1.00 0.00 N ATOM 984 CZ ARG A 61 -37.645 38.474 11.010 1.00 0.00 C ATOM 985 NH1 ARG A 61 -38.520 37.574 11.434 1.00 0.00 N1+ ATOM 986 NH2 ARG A 61 -37.321 38.517 9.730 1.00 0.00 N ATOM 0 H ARG A 61 -37.795 44.920 13.524 1.00 0.00 H new ATOM 0 HA ARG A 61 -36.605 43.357 14.622 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -38.385 42.020 13.429 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -37.256 41.729 12.120 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -35.725 40.626 13.863 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -37.082 40.704 14.969 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -36.979 38.522 13.793 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -38.469 39.376 13.447 1.00 0.00 H new ATOM 0 HE ARG A 61 -36.417 39.998 11.490 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -38.776 37.537 12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -38.937 36.918 10.774 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -36.650 39.209 9.397 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -37.742 37.858 9.075 1.00 0.00 H new ATOM 1000 N TYR A 62 -34.257 44.035 13.534 1.00 0.00 N ATOM 1001 CA TYR A 62 -32.848 44.008 13.155 1.00 0.00 C ATOM 1002 C TYR A 62 -32.146 42.771 13.690 1.00 0.00 C ATOM 1003 O TYR A 62 -31.277 42.211 13.026 1.00 0.00 O ATOM 1004 CB TYR A 62 -32.129 45.269 13.629 1.00 0.00 C ATOM 1005 CG TYR A 62 -32.560 46.517 12.906 1.00 0.00 C ATOM 1006 CD1 TYR A 62 -33.583 47.311 13.400 1.00 0.00 C ATOM 1007 CD2 TYR A 62 -31.941 46.904 11.725 1.00 0.00 C ATOM 1008 CE1 TYR A 62 -33.979 48.452 12.739 1.00 0.00 C ATOM 1009 CE2 TYR A 62 -32.330 48.045 11.058 1.00 0.00 C ATOM 1010 CZ TYR A 62 -33.349 48.815 11.571 1.00 0.00 C ATOM 1011 OH TYR A 62 -33.740 49.952 10.913 1.00 0.00 O ATOM 0 H TYR A 62 -34.523 44.814 14.136 1.00 0.00 H new ATOM 0 HA TYR A 62 -32.809 43.972 12.066 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -32.306 45.398 14.697 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -31.055 45.136 13.498 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -34.077 47.030 14.318 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -31.141 46.300 11.322 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -34.780 49.059 13.135 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -31.839 48.333 10.140 1.00 0.00 H new ATOM 0 HH TYR A 62 -33.195 50.067 10.107 1.00 0.00 H new ATOM 1021 N ILE A 63 -32.524 42.338 14.883 1.00 0.00 N ATOM 1022 CA ILE A 63 -31.910 41.159 15.470 1.00 0.00 C ATOM 1023 C ILE A 63 -32.930 40.289 16.222 1.00 0.00 C ATOM 1024 O ILE A 63 -32.860 39.061 16.168 1.00 0.00 O ATOM 1025 CB ILE A 63 -30.715 41.527 16.399 1.00 0.00 C ATOM 1026 CG1 ILE A 63 -30.044 40.261 16.953 1.00 0.00 C ATOM 1027 CG2 ILE A 63 -31.163 42.441 17.531 1.00 0.00 C ATOM 1028 CD1 ILE A 63 -28.824 40.537 17.810 1.00 0.00 C ATOM 0 H ILE A 63 -33.243 42.779 15.456 1.00 0.00 H new ATOM 0 HA ILE A 63 -31.521 40.571 14.638 1.00 0.00 H new ATOM 0 HB ILE A 63 -29.981 42.068 15.802 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -30.772 39.704 17.543 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -29.753 39.621 16.120 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -30.309 42.682 18.164 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -31.577 43.360 17.115 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -31.925 41.937 18.126 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -28.407 39.594 18.164 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -28.076 41.066 17.219 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -29.111 41.150 18.665 1.00 0.00 H new ATOM 1040 N ASN A 64 -33.882 40.915 16.911 1.00 0.00 N ATOM 1041 CA ASN A 64 -34.876 40.149 17.665 1.00 0.00 C ATOM 1042 C ASN A 64 -36.215 40.873 17.757 1.00 0.00 C ATOM 1043 O ASN A 64 -37.237 40.376 17.273 1.00 0.00 O ATOM 1044 CB ASN A 64 -34.354 39.843 19.076 1.00 0.00 C ATOM 1045 CG ASN A 64 -35.364 39.098 19.939 1.00 0.00 C ATOM 1046 OD1 ASN A 64 -36.193 38.331 19.439 1.00 0.00 O ATOM 1047 ND2 ASN A 64 -35.300 39.318 21.238 1.00 0.00 N ATOM 0 H ASN A 64 -33.987 41.928 16.964 1.00 0.00 H new ATOM 0 HA ASN A 64 -35.040 39.217 17.123 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -33.443 39.249 18.999 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -34.085 40.778 19.568 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -35.950 38.847 21.868 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -34.601 39.959 21.613 1.00 0.00 H new ATOM 1054 N GLU A 65 -36.206 42.041 18.359 1.00 0.00 N ATOM 1055 CA GLU A 65 -37.428 42.790 18.593 1.00 0.00 C ATOM 1056 C GLU A 65 -37.522 43.991 17.661 1.00 0.00 C ATOM 1057 O GLU A 65 -36.978 43.970 16.552 1.00 0.00 O ATOM 1058 CB GLU A 65 -37.472 43.242 20.049 1.00 0.00 C ATOM 1059 CG GLU A 65 -37.399 42.104 21.046 1.00 0.00 C ATOM 1060 CD GLU A 65 -37.332 42.592 22.468 1.00 0.00 C ATOM 1061 OE1 GLU A 65 -36.214 42.750 22.993 1.00 0.00 O ATOM 1062 OE2 GLU A 65 -38.402 42.835 23.069 1.00 0.00 O1- ATOM 0 H GLU A 65 -35.360 42.499 18.699 1.00 0.00 H new ATOM 0 HA GLU A 65 -38.281 42.143 18.387 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -36.644 43.927 20.232 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -38.392 43.802 20.218 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -38.272 41.462 20.926 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -36.522 41.493 20.833 1.00 0.00 H new ATOM 1069 N LYS A 66 -38.227 45.030 18.106 1.00 0.00 N ATOM 1070 CA LYS A 66 -38.400 46.236 17.310 1.00 0.00 C ATOM 1071 C LYS A 66 -37.097 47.024 17.217 1.00 0.00 C ATOM 1072 O LYS A 66 -36.870 47.752 16.248 1.00 0.00 O ATOM 1073 CB LYS A 66 -39.540 47.108 17.874 1.00 0.00 C ATOM 1074 CG LYS A 66 -39.316 47.631 19.292 1.00 0.00 C ATOM 1075 CD LYS A 66 -40.550 48.370 19.795 1.00 0.00 C ATOM 1076 CE LYS A 66 -40.294 49.101 21.111 1.00 0.00 C ATOM 1077 NZ LYS A 66 -39.890 48.188 22.212 1.00 0.00 N1+ ATOM 0 H LYS A 66 -38.687 45.057 19.016 1.00 0.00 H new ATOM 0 HA LYS A 66 -38.677 45.936 16.300 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -39.689 47.959 17.209 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -40.462 46.527 17.859 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -39.086 46.800 19.959 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -38.455 48.299 19.307 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -40.873 49.088 19.041 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -41.366 47.660 19.930 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -39.514 49.847 20.960 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -41.196 49.638 21.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -40.296 48.524 23.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -40.238 47.229 22.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -38.853 48.171 22.286 1.00 0.00 H new ATOM 1091 N GLU A 67 -36.252 46.870 18.246 1.00 0.00 N ATOM 1092 CA GLU A 67 -34.918 47.493 18.306 1.00 0.00 C ATOM 1093 C GLU A 67 -34.982 49.023 18.232 1.00 0.00 C ATOM 1094 O GLU A 67 -33.980 49.676 17.962 1.00 0.00 O ATOM 1095 CB GLU A 67 -34.022 46.957 17.181 1.00 0.00 C ATOM 1096 CG GLU A 67 -33.945 45.436 17.111 1.00 0.00 C ATOM 1097 CD GLU A 67 -33.554 44.808 18.425 1.00 0.00 C ATOM 1098 OE1 GLU A 67 -32.641 45.330 19.090 1.00 0.00 O ATOM 1099 OE2 GLU A 67 -34.152 43.772 18.793 1.00 0.00 O1- ATOM 0 H GLU A 67 -36.474 46.306 19.067 1.00 0.00 H new ATOM 0 HA GLU A 67 -34.491 47.227 19.273 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -34.391 47.335 16.227 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -33.016 47.354 17.313 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -34.912 45.042 16.799 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -33.223 45.148 16.347 1.00 0.00 H new ATOM 1106 N ALA A 68 -36.143 49.588 18.518 1.00 0.00 N ATOM 1107 CA ALA A 68 -36.326 51.041 18.428 1.00 0.00 C ATOM 1108 C ALA A 68 -35.595 51.765 19.555 1.00 0.00 C ATOM 1109 O ALA A 68 -35.236 52.936 19.427 1.00 0.00 O ATOM 1110 CB ALA A 68 -37.812 51.411 18.423 1.00 0.00 C ATOM 0 H ALA A 68 -36.973 49.073 18.813 1.00 0.00 H new ATOM 0 HA ALA A 68 -35.891 51.366 17.483 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -37.917 52.494 18.356 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -38.300 50.945 17.567 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -38.278 51.058 19.343 1.00 0.00 H new ATOM 1116 N GLU A 69 -35.358 51.055 20.642 1.00 0.00 N ATOM 1117 CA GLU A 69 -34.677 51.611 21.797 1.00 0.00 C ATOM 1118 C GLU A 69 -33.222 51.147 21.835 1.00 0.00 C ATOM 1119 O GLU A 69 -32.467 51.491 22.754 1.00 0.00 O ATOM 1120 CB GLU A 69 -35.396 51.213 23.104 1.00 0.00 C ATOM 1121 CG GLU A 69 -35.390 49.710 23.412 1.00 0.00 C ATOM 1122 CD GLU A 69 -36.307 48.903 22.508 1.00 0.00 C ATOM 1123 OE1 GLU A 69 -35.926 48.628 21.355 1.00 0.00 O ATOM 1124 OE2 GLU A 69 -37.407 48.535 22.950 1.00 0.00 O1- ATOM 0 H GLU A 69 -35.631 50.078 20.750 1.00 0.00 H new ATOM 0 HA GLU A 69 -34.697 52.697 21.710 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -34.928 51.741 23.935 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -36.430 51.554 23.051 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -34.372 49.331 23.316 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -35.690 49.558 24.449 1.00 0.00 H new ATOM 1131 N ARG A 70 -32.836 50.363 20.837 1.00 0.00 N ATOM 1132 CA ARG A 70 -31.473 49.848 20.739 1.00 0.00 C ATOM 1133 C ARG A 70 -30.843 50.245 19.407 1.00 0.00 C ATOM 1134 O ARG A 70 -29.814 49.705 19.003 1.00 0.00 O ATOM 1135 CB ARG A 70 -31.455 48.319 20.914 1.00 0.00 C ATOM 1136 CG ARG A 70 -31.880 47.862 22.304 1.00 0.00 C ATOM 1137 CD ARG A 70 -31.651 46.370 22.517 1.00 0.00 C ATOM 1138 NE ARG A 70 -32.575 45.531 21.745 1.00 0.00 N ATOM 1139 CZ ARG A 70 -33.347 44.572 22.277 1.00 0.00 C ATOM 1140 NH1 ARG A 70 -33.304 44.322 23.582 1.00 0.00 N1+ ATOM 1141 NH2 ARG A 70 -34.139 43.849 21.500 1.00 0.00 N ATOM 0 H ARG A 70 -33.451 50.067 20.079 1.00 0.00 H new ATOM 0 HA ARG A 70 -30.883 50.290 21.542 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -32.116 47.869 20.174 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -30.450 47.950 20.710 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -31.324 48.424 23.055 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -32.935 48.090 22.452 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -30.626 46.122 22.240 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -31.759 46.139 23.577 1.00 0.00 H new ATOM 0 HE ARG A 70 -32.634 45.687 20.739 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -32.682 44.861 24.184 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -33.893 43.591 23.981 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -34.163 44.021 20.495 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -34.725 43.120 21.907 1.00 0.00 H new ATOM 1155 N LYS A 71 -31.459 51.208 18.742 1.00 0.00 N ATOM 1156 CA LYS A 71 -30.976 51.687 17.448 1.00 0.00 C ATOM 1157 C LYS A 71 -30.545 53.155 17.545 1.00 0.00 C ATOM 1158 O LYS A 71 -29.982 53.715 16.594 1.00 0.00 O ATOM 1159 CB LYS A 71 -32.080 51.527 16.385 1.00 0.00 C ATOM 1160 CG LYS A 71 -31.684 51.987 14.991 1.00 0.00 C ATOM 1161 CD LYS A 71 -32.856 51.930 14.034 1.00 0.00 C ATOM 1162 CE LYS A 71 -32.498 52.538 12.691 1.00 0.00 C ATOM 1163 NZ LYS A 71 -33.633 52.481 11.745 1.00 0.00 N1+ ATOM 0 H LYS A 71 -32.300 51.679 19.076 1.00 0.00 H new ATOM 0 HA LYS A 71 -30.111 51.092 17.156 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -32.373 50.478 16.338 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -32.958 52.089 16.704 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -31.301 53.006 15.038 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -30.876 51.360 14.616 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -33.166 50.894 13.896 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -33.705 52.463 14.463 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -32.192 53.575 12.831 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -31.644 52.008 12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -33.559 53.266 11.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -33.612 51.577 11.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -34.527 52.561 12.270 1.00 0.00 H new ATOM 1177 N GLU A 72 -30.782 53.759 18.712 1.00 0.00 N ATOM 1178 CA GLU A 72 -30.503 55.180 18.941 1.00 0.00 C ATOM 1179 C GLU A 72 -31.452 56.035 18.056 1.00 0.00 C ATOM 1180 O GLU A 72 -32.329 55.485 17.379 1.00 0.00 O ATOM 1181 CB GLU A 72 -29.002 55.488 18.655 1.00 0.00 C ATOM 1182 CG GLU A 72 -28.536 56.893 19.030 1.00 0.00 C ATOM 1183 CD GLU A 72 -28.857 57.247 20.460 1.00 0.00 C ATOM 1184 OE1 GLU A 72 -28.130 56.793 21.361 1.00 0.00 O ATOM 1185 OE2 GLU A 72 -29.843 57.974 20.689 1.00 0.00 O1- ATOM 0 H GLU A 72 -31.172 53.279 19.523 1.00 0.00 H new ATOM 0 HA GLU A 72 -30.689 55.434 19.985 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -28.391 54.765 19.196 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -28.813 55.333 17.593 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -27.460 56.969 18.873 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -29.007 57.618 18.366 1.00 0.00 H new ATOM 1192 N LYS A 73 -31.307 57.355 18.079 1.00 0.00 N ATOM 1193 CA LYS A 73 -32.143 58.211 17.258 1.00 0.00 C ATOM 1194 C LYS A 73 -31.485 58.366 15.876 1.00 0.00 C ATOM 1195 O LYS A 73 -30.400 57.823 15.642 1.00 0.00 O ATOM 1196 CB LYS A 73 -32.281 59.596 17.906 1.00 0.00 C ATOM 1197 CG LYS A 73 -32.324 59.577 19.420 1.00 0.00 C ATOM 1198 CD LYS A 73 -32.320 60.987 19.979 1.00 0.00 C ATOM 1199 CE LYS A 73 -31.670 61.034 21.349 1.00 0.00 C ATOM 1200 NZ LYS A 73 -30.252 60.587 21.294 1.00 0.00 N1+ ATOM 0 H LYS A 73 -30.624 57.849 18.653 1.00 0.00 H new ATOM 0 HA LYS A 73 -33.132 57.764 17.161 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -31.445 60.218 17.586 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -33.190 60.068 17.535 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -33.218 59.051 19.756 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -31.466 59.026 19.805 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -31.786 61.649 19.298 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -33.343 61.357 20.046 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -31.718 62.050 21.741 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -32.226 60.400 22.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -29.728 60.994 22.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -30.213 59.549 21.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -29.822 60.905 20.402 1.00 0.00 H new ATOM 1214 N GLU A 74 -32.121 59.098 14.968 1.00 0.00 N ATOM 1215 CA GLU A 74 -31.530 59.355 13.672 1.00 0.00 C ATOM 1216 C GLU A 74 -31.104 60.829 13.612 1.00 0.00 C ATOM 1217 O GLU A 74 -31.491 61.605 14.494 1.00 0.00 O ATOM 1218 CB GLU A 74 -32.523 59.021 12.556 1.00 0.00 C ATOM 1219 CG GLU A 74 -32.907 57.554 12.515 1.00 0.00 C ATOM 1220 CD GLU A 74 -33.953 57.258 11.474 1.00 0.00 C ATOM 1221 OE1 GLU A 74 -33.597 57.121 10.286 1.00 0.00 O ATOM 1222 OE2 GLU A 74 -35.139 57.146 11.839 1.00 0.00 O1- ATOM 0 H GLU A 74 -33.039 59.519 15.109 1.00 0.00 H new ATOM 0 HA GLU A 74 -30.655 58.721 13.529 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -33.423 59.622 12.688 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -32.089 59.303 11.597 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -32.019 56.955 12.313 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -33.279 57.252 13.494 1.00 0.00 H new ATOM 1229 N ALA A 75 -30.310 61.224 12.583 1.00 0.00 N ATOM 1230 CA ALA A 75 -29.813 62.610 12.471 1.00 0.00 C ATOM 1231 C ALA A 75 -28.898 62.946 13.649 1.00 0.00 C ATOM 1232 O ALA A 75 -28.759 64.106 14.035 1.00 0.00 O ATOM 1233 CB ALA A 75 -30.974 63.599 12.395 1.00 0.00 C ATOM 0 H ALA A 75 -30.006 60.607 11.830 1.00 0.00 H new ATOM 0 HA ALA A 75 -29.236 62.692 11.550 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -30.583 64.613 12.313 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -31.587 63.374 11.522 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -31.582 63.516 13.296 1.00 0.00 H new ATOM 1239 N GLU A 76 -28.258 61.917 14.199 1.00 0.00 N ATOM 1240 CA GLU A 76 -27.352 62.087 15.339 1.00 0.00 C ATOM 1241 C GLU A 76 -25.932 62.395 14.870 1.00 0.00 C ATOM 1242 O GLU A 76 -24.982 62.338 15.654 1.00 0.00 O ATOM 1243 CB GLU A 76 -27.347 60.827 16.221 1.00 0.00 C ATOM 1244 CG GLU A 76 -28.667 60.553 16.924 1.00 0.00 C ATOM 1245 CD GLU A 76 -29.019 61.621 17.939 1.00 0.00 C ATOM 1246 OE1 GLU A 76 -28.658 61.463 19.128 1.00 0.00 O ATOM 1247 OE2 GLU A 76 -29.647 62.620 17.560 1.00 0.00 O1- ATOM 0 H GLU A 76 -28.348 60.954 13.875 1.00 0.00 H new ATOM 0 HA GLU A 76 -27.715 62.930 15.927 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -27.092 59.966 15.603 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -26.562 60.925 16.971 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -29.463 60.486 16.182 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -28.615 59.586 17.423 1.00 0.00 H new ATOM 1254 N GLN A 77 -25.800 62.733 13.603 1.00 0.00 N ATOM 1255 CA GLN A 77 -24.508 63.030 13.014 1.00 0.00 C ATOM 1256 C GLN A 77 -24.322 64.534 12.886 1.00 0.00 C ATOM 1257 O GLN A 77 -24.966 65.138 12.002 1.00 0.00 O ATOM 1258 CB GLN A 77 -24.399 62.371 11.642 1.00 0.00 C ATOM 1259 CG GLN A 77 -24.597 60.867 11.668 1.00 0.00 C ATOM 1260 CD GLN A 77 -24.674 60.266 10.282 1.00 0.00 C ATOM 1261 OE1 GLN A 77 -25.116 60.914 9.334 1.00 0.00 O ATOM 1262 NE2 GLN A 77 -24.251 59.027 10.155 1.00 0.00 N ATOM 1263 OXT GLN A 77 -23.536 65.110 13.665 1.00 0.00 O ATOM 0 H GLN A 77 -26.583 62.810 12.953 1.00 0.00 H new ATOM 0 HA GLN A 77 -23.726 62.635 13.662 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -25.140 62.814 10.976 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -23.419 62.592 11.220 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -23.775 60.405 12.215 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -25.512 60.634 12.212 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -23.892 58.525 10.967 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -24.282 58.568 9.245 1.00 0.00 H new TER 1272 GLN A 77