USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 657 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 Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.9!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0209 USER MOD Single : A 62 THR OG1 : rot -12:sc= 0.918 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= -0.0153 (180deg=-0.243) USER MOD Single : A 72 CYS SG : rot -112:sc= 1.27 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.112 K(o=-0.11,f=-2.1!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0.102 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -159:sc= -0.0195 (180deg=-0.752) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 29 -12.047 14.733 9.089 1.00 0.00 N ATOM 2 CA LYS A 29 -12.198 15.120 7.658 1.00 0.00 C ATOM 3 C LYS A 29 -11.413 14.144 6.780 1.00 0.00 C ATOM 4 O LYS A 29 -10.401 14.489 6.204 1.00 0.00 O ATOM 5 CB LYS A 29 -11.658 16.537 7.454 1.00 0.00 C ATOM 6 CG LYS A 29 -12.314 17.484 8.461 1.00 0.00 C ATOM 7 CD LYS A 29 -11.855 18.918 8.188 1.00 0.00 C ATOM 8 CE LYS A 29 -12.480 19.859 9.220 1.00 0.00 C ATOM 9 NZ LYS A 29 -12.159 21.270 8.863 1.00 0.00 N ATOM 0 HA LYS A 29 -13.252 15.089 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.576 16.547 7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.862 16.872 6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.399 17.418 8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.047 17.193 9.477 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.768 18.979 8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.147 19.219 7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.560 19.717 9.251 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.100 19.629 10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.583 21.911 9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.127 21.400 8.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.542 21.485 7.920 1.00 0.00 H new ATOM 22 N GLY A 30 -11.872 12.927 6.674 1.00 0.00 N ATOM 23 CA GLY A 30 -11.151 11.930 5.833 1.00 0.00 C ATOM 24 C GLY A 30 -11.995 10.661 5.707 1.00 0.00 C ATOM 25 O GLY A 30 -12.472 10.122 6.686 1.00 0.00 O ATOM 0 H GLY A 30 -12.714 12.580 7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.953 12.347 4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.185 11.694 6.279 1.00 0.00 H new ATOM 29 N ASP A 31 -12.184 10.178 4.510 1.00 0.00 N ATOM 30 CA ASP A 31 -12.997 8.944 4.323 1.00 0.00 C ATOM 31 C ASP A 31 -12.384 8.092 3.210 1.00 0.00 C ATOM 32 O ASP A 31 -12.917 7.998 2.122 1.00 0.00 O ATOM 33 CB ASP A 31 -14.428 9.329 3.941 1.00 0.00 C ATOM 34 CG ASP A 31 -15.149 9.895 5.165 1.00 0.00 C ATOM 35 OD1 ASP A 31 -14.926 9.383 6.250 1.00 0.00 O ATOM 36 OD2 ASP A 31 -15.912 10.832 4.998 1.00 0.00 O ATOM 0 H ASP A 31 -11.810 10.585 3.653 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.009 8.374 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.415 10.068 3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.962 8.457 3.563 1.00 0.00 H new ATOM 41 N GLY A 32 -11.267 7.471 3.473 1.00 0.00 N ATOM 42 CA GLY A 32 -10.621 6.626 2.429 1.00 0.00 C ATOM 43 C GLY A 32 -9.174 7.078 2.227 1.00 0.00 C ATOM 44 O GLY A 32 -8.781 7.470 1.146 1.00 0.00 O ATOM 0 H GLY A 32 -10.774 7.512 4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.647 5.578 2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.171 6.704 1.491 1.00 0.00 H new ATOM 48 N VAL A 33 -8.377 7.027 3.260 1.00 0.00 N ATOM 49 CA VAL A 33 -6.956 7.455 3.126 1.00 0.00 C ATOM 50 C VAL A 33 -6.046 6.227 3.196 1.00 0.00 C ATOM 51 O VAL A 33 -5.914 5.599 4.228 1.00 0.00 O ATOM 52 CB VAL A 33 -6.604 8.416 4.262 1.00 0.00 C ATOM 53 CG1 VAL A 33 -5.105 8.721 4.227 1.00 0.00 C ATOM 54 CG2 VAL A 33 -7.392 9.717 4.090 1.00 0.00 C ATOM 0 H VAL A 33 -8.649 6.708 4.190 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.816 7.957 2.169 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.859 7.958 5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.854 9.406 5.037 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.542 7.795 4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.849 9.179 3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.142 10.403 4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.136 10.174 3.134 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.460 9.501 4.114 1.00 0.00 H new ATOM 64 N VAL A 34 -5.418 5.879 2.106 1.00 0.00 N ATOM 65 CA VAL A 34 -4.518 4.692 2.112 1.00 0.00 C ATOM 66 C VAL A 34 -3.113 5.118 2.541 1.00 0.00 C ATOM 67 O VAL A 34 -2.661 6.203 2.231 1.00 0.00 O ATOM 68 CB VAL A 34 -4.461 4.089 0.707 1.00 0.00 C ATOM 69 CG1 VAL A 34 -3.639 2.800 0.737 1.00 0.00 C ATOM 70 CG2 VAL A 34 -5.881 3.776 0.230 1.00 0.00 C ATOM 0 H VAL A 34 -5.490 6.365 1.212 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.901 3.949 2.812 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.995 4.801 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.599 2.371 -0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.628 3.021 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.104 2.088 1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.842 3.346 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.346 3.064 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.468 4.694 0.208 1.00 0.00 H new ATOM 80 N ARG A 35 -2.417 4.273 3.252 1.00 0.00 N ATOM 81 CA ARG A 35 -1.042 4.631 3.700 1.00 0.00 C ATOM 82 C ARG A 35 -0.024 3.753 2.970 1.00 0.00 C ATOM 83 O ARG A 35 0.152 2.594 3.288 1.00 0.00 O ATOM 84 CB ARG A 35 -0.922 4.404 5.209 1.00 0.00 C ATOM 85 CG ARG A 35 0.493 4.761 5.668 1.00 0.00 C ATOM 86 CD ARG A 35 0.639 4.452 7.159 1.00 0.00 C ATOM 87 NE ARG A 35 0.095 5.587 7.957 1.00 0.00 N ATOM 88 CZ ARG A 35 -0.781 5.364 8.897 1.00 0.00 C ATOM 89 NH1 ARG A 35 -0.383 5.098 10.111 1.00 0.00 N ATOM 90 NH2 ARG A 35 -2.057 5.405 8.623 1.00 0.00 N ATOM 0 H ARG A 35 -2.742 3.350 3.542 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.847 5.679 3.474 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.653 5.015 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.142 3.364 5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.227 4.194 5.095 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.691 5.817 5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.107 3.533 7.405 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.688 4.289 7.407 1.00 0.00 H new ATOM 0 HE ARG A 35 0.408 6.539 7.768 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.614 5.064 10.325 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.069 4.924 10.846 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.368 5.611 7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.742 5.231 9.358 1.00 0.00 H new ATOM 104 N ILE A 36 0.648 4.295 1.991 1.00 0.00 N ATOM 105 CA ILE A 36 1.653 3.491 1.242 1.00 0.00 C ATOM 106 C ILE A 36 3.059 3.856 1.720 1.00 0.00 C ATOM 107 O ILE A 36 3.577 4.911 1.408 1.00 0.00 O ATOM 108 CB ILE A 36 1.530 3.786 -0.254 1.00 0.00 C ATOM 109 CG1 ILE A 36 0.096 3.507 -0.712 1.00 0.00 C ATOM 110 CG2 ILE A 36 2.496 2.892 -1.033 1.00 0.00 C ATOM 111 CD1 ILE A 36 -0.391 4.655 -1.597 1.00 0.00 C ATOM 0 H ILE A 36 0.544 5.260 1.678 1.00 0.00 H new ATOM 0 HA ILE A 36 1.474 2.431 1.419 1.00 0.00 H new ATOM 0 HB ILE A 36 1.775 4.832 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.055 2.567 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.558 3.398 0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.408 3.103 -2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.517 3.089 -0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.252 1.846 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.412 4.456 -1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.366 5.586 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.257 4.743 -2.469 1.00 0.00 H new ATOM 123 N GLN A 37 3.682 2.994 2.475 1.00 0.00 N ATOM 124 CA GLN A 37 5.055 3.293 2.973 1.00 0.00 C ATOM 125 C GLN A 37 5.886 2.008 2.976 1.00 0.00 C ATOM 126 O GLN A 37 5.425 0.959 3.380 1.00 0.00 O ATOM 127 CB GLN A 37 4.972 3.851 4.395 1.00 0.00 C ATOM 128 CG GLN A 37 4.307 2.820 5.310 1.00 0.00 C ATOM 129 CD GLN A 37 5.353 2.224 6.253 1.00 0.00 C ATOM 130 OE1 GLN A 37 6.519 2.151 5.918 1.00 0.00 O ATOM 131 NE2 GLN A 37 4.984 1.792 7.428 1.00 0.00 N ATOM 0 H GLN A 37 3.300 2.095 2.769 1.00 0.00 H new ATOM 0 HA GLN A 37 5.526 4.029 2.322 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.970 4.089 4.763 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.401 4.779 4.400 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.509 3.290 5.885 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.848 2.031 4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.006 1.853 7.710 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.674 1.393 8.065 1.00 0.00 H new ATOM 140 N ARG A 38 7.110 2.082 2.530 1.00 0.00 N ATOM 141 CA ARG A 38 7.970 0.865 2.508 1.00 0.00 C ATOM 142 C ARG A 38 8.853 0.841 3.757 1.00 0.00 C ATOM 143 O ARG A 38 8.969 1.822 4.466 1.00 0.00 O ATOM 144 CB ARG A 38 8.853 0.886 1.259 1.00 0.00 C ATOM 145 CG ARG A 38 9.529 2.253 1.134 1.00 0.00 C ATOM 146 CD ARG A 38 10.946 2.074 0.587 1.00 0.00 C ATOM 147 NE ARG A 38 11.875 2.992 1.305 1.00 0.00 N ATOM 148 CZ ARG A 38 13.105 3.130 0.891 1.00 0.00 C ATOM 149 NH1 ARG A 38 13.363 3.859 -0.160 1.00 0.00 N ATOM 150 NH2 ARG A 38 14.078 2.538 1.529 1.00 0.00 N ATOM 0 H ARG A 38 7.552 2.932 2.180 1.00 0.00 H new ATOM 0 HA ARG A 38 7.340 -0.024 2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.606 0.100 1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.252 0.683 0.372 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.951 2.897 0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.563 2.744 2.107 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.269 1.041 0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.964 2.284 -0.482 1.00 0.00 H new ATOM 0 HE ARG A 38 11.550 3.512 2.120 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.603 4.322 -0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.325 3.966 -0.483 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.877 1.968 2.351 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.039 2.645 1.206 1.00 0.00 H new ATOM 164 N GLN A 39 9.477 -0.271 4.033 1.00 0.00 N ATOM 165 CA GLN A 39 10.353 -0.356 5.236 1.00 0.00 C ATOM 166 C GLN A 39 11.479 -1.359 4.977 1.00 0.00 C ATOM 167 O GLN A 39 11.346 -2.263 4.177 1.00 0.00 O ATOM 168 CB GLN A 39 9.525 -0.818 6.437 1.00 0.00 C ATOM 169 CG GLN A 39 9.863 0.047 7.653 1.00 0.00 C ATOM 170 CD GLN A 39 8.968 -0.353 8.828 1.00 0.00 C ATOM 171 OE1 GLN A 39 7.998 -1.063 8.654 1.00 0.00 O ATOM 172 NE2 GLN A 39 9.256 0.077 10.027 1.00 0.00 N ATOM 0 H GLN A 39 9.418 -1.125 3.478 1.00 0.00 H new ATOM 0 HA GLN A 39 10.781 0.625 5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.462 -0.744 6.209 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.732 -1.866 6.654 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.912 -0.078 7.922 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.719 1.101 7.414 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.071 0.673 10.173 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.666 -0.183 10.817 1.00 0.00 H new ATOM 181 N THR A 40 12.588 -1.205 5.648 1.00 0.00 N ATOM 182 CA THR A 40 13.721 -2.150 5.439 1.00 0.00 C ATOM 183 C THR A 40 13.980 -2.929 6.730 1.00 0.00 C ATOM 184 O THR A 40 14.915 -2.654 7.456 1.00 0.00 O ATOM 185 CB THR A 40 14.978 -1.364 5.057 1.00 0.00 C ATOM 186 OG1 THR A 40 14.617 -0.030 4.727 1.00 0.00 O ATOM 187 CG2 THR A 40 15.651 -2.026 3.854 1.00 0.00 C ATOM 0 H THR A 40 12.758 -0.467 6.331 1.00 0.00 H new ATOM 0 HA THR A 40 13.470 -2.846 4.638 1.00 0.00 H new ATOM 0 HB THR A 40 15.672 -1.356 5.898 1.00 0.00 H new ATOM 0 HG1 THR A 40 15.420 0.476 4.484 1.00 0.00 H new ATOM 0 HG21 THR A 40 16.546 -1.465 3.583 1.00 0.00 H new ATOM 0 HG22 THR A 40 15.927 -3.049 4.109 1.00 0.00 H new ATOM 0 HG23 THR A 40 14.960 -2.036 3.011 1.00 0.00 H new ATOM 195 N SER A 41 13.159 -3.901 7.022 1.00 0.00 N ATOM 196 CA SER A 41 13.358 -4.696 8.266 1.00 0.00 C ATOM 197 C SER A 41 12.907 -6.138 8.027 1.00 0.00 C ATOM 198 O SER A 41 11.729 -6.433 7.994 1.00 0.00 O ATOM 199 CB SER A 41 12.534 -4.085 9.400 1.00 0.00 C ATOM 200 OG SER A 41 13.277 -4.153 10.610 1.00 0.00 O ATOM 0 H SER A 41 12.359 -4.178 6.453 1.00 0.00 H new ATOM 0 HA SER A 41 14.413 -4.686 8.538 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.288 -3.049 9.169 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.591 -4.620 9.509 1.00 0.00 H new ATOM 0 HG SER A 41 12.752 -3.761 11.339 1.00 0.00 H new ATOM 206 N GLY A 42 13.835 -7.040 7.859 1.00 0.00 N ATOM 207 CA GLY A 42 13.458 -8.463 7.622 1.00 0.00 C ATOM 208 C GLY A 42 14.568 -9.162 6.836 1.00 0.00 C ATOM 209 O GLY A 42 15.126 -8.611 5.908 1.00 0.00 O ATOM 0 H GLY A 42 14.838 -6.854 7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.297 -8.971 8.573 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.520 -8.514 7.070 1.00 0.00 H new ATOM 213 N ARG A 43 14.893 -10.372 7.199 1.00 0.00 N ATOM 214 CA ARG A 43 15.967 -11.105 6.471 1.00 0.00 C ATOM 215 C ARG A 43 15.338 -12.015 5.414 1.00 0.00 C ATOM 216 O ARG A 43 15.926 -12.991 4.992 1.00 0.00 O ATOM 217 CB ARG A 43 16.769 -11.952 7.461 1.00 0.00 C ATOM 218 CG ARG A 43 17.842 -11.084 8.123 1.00 0.00 C ATOM 219 CD ARG A 43 18.657 -11.934 9.099 1.00 0.00 C ATOM 220 NE ARG A 43 19.631 -11.067 9.819 1.00 0.00 N ATOM 221 CZ ARG A 43 20.262 -11.524 10.866 1.00 0.00 C ATOM 222 NH1 ARG A 43 20.293 -12.807 11.101 1.00 0.00 N ATOM 223 NH2 ARG A 43 20.862 -10.697 11.679 1.00 0.00 N ATOM 0 H ARG A 43 14.462 -10.885 7.968 1.00 0.00 H new ATOM 0 HA ARG A 43 16.630 -10.389 5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 43 16.106 -12.370 8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 43 17.233 -12.792 6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 43 18.496 -10.655 7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 43 17.377 -10.251 8.651 1.00 0.00 H new ATOM 0 HD2 ARG A 43 17.994 -12.424 9.812 1.00 0.00 H new ATOM 0 HD3 ARG A 43 19.184 -12.721 8.560 1.00 0.00 H new ATOM 0 HE ARG A 43 19.805 -10.116 9.494 1.00 0.00 H new ATOM 0 HH11 ARG A 43 19.824 -13.453 10.466 1.00 0.00 H new ATOM 0 HH12 ARG A 43 20.786 -13.164 11.919 1.00 0.00 H new ATOM 0 HH21 ARG A 43 20.837 -9.694 11.496 1.00 0.00 H new ATOM 0 HH22 ARG A 43 21.355 -11.054 12.497 1.00 0.00 H new ATOM 237 N LYS A 44 14.147 -11.702 4.982 1.00 0.00 N ATOM 238 CA LYS A 44 13.482 -12.549 3.952 1.00 0.00 C ATOM 239 C LYS A 44 12.989 -11.664 2.806 1.00 0.00 C ATOM 240 O LYS A 44 12.014 -11.969 2.148 1.00 0.00 O ATOM 241 CB LYS A 44 12.292 -13.278 4.582 1.00 0.00 C ATOM 242 CG LYS A 44 12.644 -14.754 4.778 1.00 0.00 C ATOM 243 CD LYS A 44 11.453 -15.484 5.402 1.00 0.00 C ATOM 244 CE LYS A 44 11.781 -16.972 5.540 1.00 0.00 C ATOM 245 NZ LYS A 44 10.522 -17.740 5.753 1.00 0.00 N ATOM 0 H LYS A 44 13.606 -10.897 5.298 1.00 0.00 H new ATOM 0 HA LYS A 44 14.193 -13.280 3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.039 -12.823 5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.414 -13.184 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.901 -15.208 3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.519 -14.848 5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.224 -15.059 6.379 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.567 -15.352 4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.290 -17.328 4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.462 -17.129 6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.744 -18.752 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.054 -17.406 6.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.888 -17.599 4.941 1.00 0.00 H new ATOM 259 N GLY A 45 13.655 -10.568 2.562 1.00 0.00 N ATOM 260 CA GLY A 45 13.225 -9.664 1.459 1.00 0.00 C ATOM 261 C GLY A 45 13.807 -8.268 1.687 1.00 0.00 C ATOM 262 O GLY A 45 13.814 -7.760 2.791 1.00 0.00 O ATOM 0 H GLY A 45 14.478 -10.260 3.079 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.561 -10.058 0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.137 -9.614 1.419 1.00 0.00 H new ATOM 266 N LYS A 46 14.296 -7.642 0.651 1.00 0.00 N ATOM 267 CA LYS A 46 14.877 -6.280 0.810 1.00 0.00 C ATOM 268 C LYS A 46 14.002 -5.263 0.075 1.00 0.00 C ATOM 269 O LYS A 46 13.809 -5.346 -1.122 1.00 0.00 O ATOM 270 CB LYS A 46 16.290 -6.257 0.223 1.00 0.00 C ATOM 271 CG LYS A 46 17.235 -7.045 1.133 1.00 0.00 C ATOM 272 CD LYS A 46 18.616 -7.136 0.481 1.00 0.00 C ATOM 273 CE LYS A 46 19.635 -7.630 1.509 1.00 0.00 C ATOM 274 NZ LYS A 46 20.945 -7.864 0.838 1.00 0.00 N ATOM 0 H LYS A 46 14.318 -8.015 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 46 14.919 -6.024 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.287 -6.690 -0.777 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.637 -5.229 0.124 1.00 0.00 H new ATOM 0 HG2 LYS A 46 17.312 -6.557 2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.838 -8.045 1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.584 -7.816 -0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.914 -6.160 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 46 19.749 -6.895 2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 46 19.282 -8.551 1.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 21.638 -8.200 1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 20.830 -8.580 0.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.282 -6.976 0.416 1.00 0.00 H new ATOM 288 N GLY A 47 13.471 -4.302 0.781 1.00 0.00 N ATOM 289 CA GLY A 47 12.609 -3.281 0.121 1.00 0.00 C ATOM 290 C GLY A 47 11.201 -3.846 -0.071 1.00 0.00 C ATOM 291 O GLY A 47 10.874 -4.384 -1.110 1.00 0.00 O ATOM 0 H GLY A 47 13.597 -4.180 1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.569 -2.377 0.728 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.034 -3.000 -0.843 1.00 0.00 H new ATOM 295 N VAL A 48 10.364 -3.730 0.924 1.00 0.00 N ATOM 296 CA VAL A 48 8.978 -4.261 0.797 1.00 0.00 C ATOM 297 C VAL A 48 7.975 -3.137 1.066 1.00 0.00 C ATOM 298 O VAL A 48 8.329 -2.075 1.538 1.00 0.00 O ATOM 299 CB VAL A 48 8.768 -5.386 1.812 1.00 0.00 C ATOM 300 CG1 VAL A 48 9.697 -6.555 1.477 1.00 0.00 C ATOM 301 CG2 VAL A 48 9.086 -4.870 3.217 1.00 0.00 C ATOM 0 H VAL A 48 10.580 -3.291 1.819 1.00 0.00 H new ATOM 0 HA VAL A 48 8.828 -4.648 -0.211 1.00 0.00 H new ATOM 0 HB VAL A 48 7.732 -5.722 1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.548 -7.357 2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.473 -6.923 0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.733 -6.219 1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.937 -5.671 3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.122 -4.535 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.426 -4.036 3.457 1.00 0.00 H new ATOM 311 N CYS A 49 6.723 -3.363 0.771 1.00 0.00 N ATOM 312 CA CYS A 49 5.700 -2.307 1.011 1.00 0.00 C ATOM 313 C CYS A 49 4.417 -2.952 1.540 1.00 0.00 C ATOM 314 O CYS A 49 3.938 -3.933 1.007 1.00 0.00 O ATOM 315 CB CYS A 49 5.400 -1.580 -0.301 1.00 0.00 C ATOM 316 SG CYS A 49 4.880 0.117 0.054 1.00 0.00 S ATOM 0 H CYS A 49 6.366 -4.232 0.375 1.00 0.00 H new ATOM 0 HA CYS A 49 6.078 -1.594 1.744 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.285 -1.575 -0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 49 4.617 -2.104 -0.849 1.00 0.00 H new ATOM 0 HG CYS A 49 4.627 0.736 -1.061 1.00 0.00 H new ATOM 322 N LEU A 50 3.857 -2.408 2.587 1.00 0.00 N ATOM 323 CA LEU A 50 2.606 -2.991 3.149 1.00 0.00 C ATOM 324 C LEU A 50 1.520 -1.914 3.200 1.00 0.00 C ATOM 325 O LEU A 50 1.805 -0.735 3.267 1.00 0.00 O ATOM 326 CB LEU A 50 2.875 -3.510 4.563 1.00 0.00 C ATOM 327 CG LEU A 50 3.720 -2.491 5.329 1.00 0.00 C ATOM 328 CD1 LEU A 50 3.156 -2.319 6.740 1.00 0.00 C ATOM 329 CD2 LEU A 50 5.164 -2.990 5.415 1.00 0.00 C ATOM 0 H LEU A 50 4.212 -1.586 3.076 1.00 0.00 H new ATOM 0 HA LEU A 50 2.273 -3.814 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.933 -3.682 5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.394 -4.468 4.518 1.00 0.00 H new ATOM 0 HG LEU A 50 3.696 -1.533 4.809 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.758 -1.593 7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.127 -1.965 6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.181 -3.276 7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.768 -2.265 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.188 -3.947 5.936 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.567 -3.114 4.410 1.00 0.00 H new ATOM 341 N ILE A 51 0.277 -2.309 3.168 1.00 0.00 N ATOM 342 CA ILE A 51 -0.825 -1.307 3.214 1.00 0.00 C ATOM 343 C ILE A 51 -1.729 -1.598 4.414 1.00 0.00 C ATOM 344 O ILE A 51 -2.341 -2.643 4.503 1.00 0.00 O ATOM 345 CB ILE A 51 -1.644 -1.390 1.926 1.00 0.00 C ATOM 346 CG1 ILE A 51 -0.717 -1.721 0.754 1.00 0.00 C ATOM 347 CG2 ILE A 51 -2.330 -0.047 1.668 1.00 0.00 C ATOM 348 CD1 ILE A 51 0.373 -0.653 0.648 1.00 0.00 C ATOM 0 H ILE A 51 -0.023 -3.282 3.112 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.403 -0.307 3.311 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.399 -2.170 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.266 -2.703 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.288 -1.766 -0.173 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.914 -0.107 0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.990 0.191 2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.576 0.734 1.568 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.033 -0.889 -0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.087 0.321 0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.951 -0.630 1.572 1.00 0.00 H new ATOM 360 N THR A 52 -1.817 -0.681 5.338 1.00 0.00 N ATOM 361 CA THR A 52 -2.682 -0.905 6.530 1.00 0.00 C ATOM 362 C THR A 52 -3.375 0.404 6.912 1.00 0.00 C ATOM 363 O THR A 52 -3.927 0.535 7.986 1.00 0.00 O ATOM 364 CB THR A 52 -1.822 -1.387 7.701 1.00 0.00 C ATOM 365 OG1 THR A 52 -0.812 -2.260 7.216 1.00 0.00 O ATOM 366 CG2 THR A 52 -2.699 -2.128 8.710 1.00 0.00 C ATOM 0 H THR A 52 -1.327 0.214 5.319 1.00 0.00 H new ATOM 0 HA THR A 52 -3.434 -1.659 6.296 1.00 0.00 H new ATOM 0 HB THR A 52 -1.358 -0.530 8.189 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.259 -2.568 7.964 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.085 -2.471 9.543 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.473 -1.456 9.082 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.165 -2.986 8.226 1.00 0.00 H new ATOM 374 N GLY A 53 -3.351 1.375 6.040 1.00 0.00 N ATOM 375 CA GLY A 53 -4.009 2.674 6.355 1.00 0.00 C ATOM 376 C GLY A 53 -5.315 2.791 5.567 1.00 0.00 C ATOM 377 O GLY A 53 -6.165 3.603 5.872 1.00 0.00 O ATOM 0 H GLY A 53 -2.905 1.325 5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.210 2.742 7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.345 3.501 6.103 1.00 0.00 H new ATOM 381 N VAL A 54 -5.482 1.985 4.554 1.00 0.00 N ATOM 382 CA VAL A 54 -6.733 2.050 3.748 1.00 0.00 C ATOM 383 C VAL A 54 -7.939 2.141 4.684 1.00 0.00 C ATOM 384 O VAL A 54 -8.402 1.150 5.214 1.00 0.00 O ATOM 385 CB VAL A 54 -6.851 0.793 2.885 1.00 0.00 C ATOM 386 CG1 VAL A 54 -8.005 0.960 1.894 1.00 0.00 C ATOM 387 CG2 VAL A 54 -5.546 0.580 2.115 1.00 0.00 C ATOM 0 H VAL A 54 -4.806 1.284 4.250 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.705 2.930 3.105 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.043 -0.069 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.089 0.064 1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.935 1.113 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.814 1.822 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.629 -0.316 1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.355 1.443 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.723 0.461 2.820 1.00 0.00 H new ATOM 397 N ASP A 55 -8.453 3.322 4.893 1.00 0.00 N ATOM 398 CA ASP A 55 -9.629 3.474 5.796 1.00 0.00 C ATOM 399 C ASP A 55 -10.917 3.273 4.994 1.00 0.00 C ATOM 400 O ASP A 55 -11.493 4.212 4.482 1.00 0.00 O ATOM 401 CB ASP A 55 -9.623 4.876 6.409 1.00 0.00 C ATOM 402 CG ASP A 55 -10.708 4.968 7.484 1.00 0.00 C ATOM 403 OD1 ASP A 55 -11.049 3.938 8.043 1.00 0.00 O ATOM 404 OD2 ASP A 55 -11.178 6.066 7.731 1.00 0.00 O ATOM 0 H ASP A 55 -8.110 4.188 4.478 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.576 2.730 6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.647 5.090 6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.798 5.623 5.635 1.00 0.00 H new ATOM 409 N LEU A 56 -11.373 2.056 4.882 1.00 0.00 N ATOM 410 CA LEU A 56 -12.624 1.796 4.115 1.00 0.00 C ATOM 411 C LEU A 56 -13.320 0.556 4.679 1.00 0.00 C ATOM 412 O LEU A 56 -12.953 0.046 5.719 1.00 0.00 O ATOM 413 CB LEU A 56 -12.281 1.563 2.642 1.00 0.00 C ATOM 414 CG LEU A 56 -12.239 2.904 1.908 1.00 0.00 C ATOM 415 CD1 LEU A 56 -11.926 2.668 0.430 1.00 0.00 C ATOM 416 CD2 LEU A 56 -13.597 3.597 2.036 1.00 0.00 C ATOM 0 H LEU A 56 -10.933 1.230 5.288 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.288 2.656 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.318 1.060 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.023 0.909 2.184 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.465 3.534 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.896 3.624 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.959 2.173 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.699 2.038 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.568 4.553 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -14.370 2.966 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.821 3.766 3.089 1.00 0.00 H new ATOM 428 N ASP A 57 -14.322 0.067 4.002 1.00 0.00 N ATOM 429 CA ASP A 57 -15.040 -1.140 4.502 1.00 0.00 C ATOM 430 C ASP A 57 -14.177 -2.381 4.264 1.00 0.00 C ATOM 431 O ASP A 57 -13.096 -2.301 3.714 1.00 0.00 O ATOM 432 CB ASP A 57 -16.366 -1.291 3.754 1.00 0.00 C ATOM 433 CG ASP A 57 -17.480 -1.617 4.751 1.00 0.00 C ATOM 434 OD1 ASP A 57 -17.160 -2.061 5.841 1.00 0.00 O ATOM 435 OD2 ASP A 57 -18.633 -1.417 4.407 1.00 0.00 O ATOM 0 H ASP A 57 -14.675 0.450 3.125 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.235 -1.031 5.569 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.600 -0.371 3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -16.287 -2.082 3.009 1.00 0.00 H new ATOM 440 N ASP A 58 -14.646 -3.528 4.673 1.00 0.00 N ATOM 441 CA ASP A 58 -13.852 -4.772 4.470 1.00 0.00 C ATOM 442 C ASP A 58 -13.996 -5.237 3.020 1.00 0.00 C ATOM 443 O ASP A 58 -13.101 -5.837 2.459 1.00 0.00 O ATOM 444 CB ASP A 58 -14.367 -5.864 5.410 1.00 0.00 C ATOM 445 CG ASP A 58 -13.326 -6.134 6.498 1.00 0.00 C ATOM 446 OD1 ASP A 58 -12.601 -5.214 6.839 1.00 0.00 O ATOM 447 OD2 ASP A 58 -13.271 -7.257 6.972 1.00 0.00 O ATOM 0 H ASP A 58 -15.544 -3.657 5.139 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.802 -4.573 4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.309 -5.555 5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.567 -6.777 4.849 1.00 0.00 H new ATOM 452 N ALA A 59 -15.115 -4.964 2.407 1.00 0.00 N ATOM 453 CA ALA A 59 -15.315 -5.390 0.994 1.00 0.00 C ATOM 454 C ALA A 59 -14.522 -4.467 0.066 1.00 0.00 C ATOM 455 O ALA A 59 -13.803 -4.916 -0.805 1.00 0.00 O ATOM 456 CB ALA A 59 -16.802 -5.312 0.642 1.00 0.00 C ATOM 0 H ALA A 59 -15.900 -4.464 2.824 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.967 -6.416 0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -16.948 -5.624 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -17.367 -5.970 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -17.152 -4.287 0.765 1.00 0.00 H new ATOM 462 N GLU A 60 -14.648 -3.181 0.244 1.00 0.00 N ATOM 463 CA GLU A 60 -13.902 -2.231 -0.629 1.00 0.00 C ATOM 464 C GLU A 60 -12.398 -2.444 -0.446 1.00 0.00 C ATOM 465 O GLU A 60 -11.620 -2.267 -1.362 1.00 0.00 O ATOM 466 CB GLU A 60 -14.263 -0.795 -0.245 1.00 0.00 C ATOM 467 CG GLU A 60 -14.259 0.085 -1.496 1.00 0.00 C ATOM 468 CD GLU A 60 -15.184 1.284 -1.281 1.00 0.00 C ATOM 469 OE1 GLU A 60 -15.968 1.243 -0.347 1.00 0.00 O ATOM 470 OE2 GLU A 60 -15.093 2.224 -2.054 1.00 0.00 O ATOM 0 H GLU A 60 -15.235 -2.747 0.956 1.00 0.00 H new ATOM 0 HA GLU A 60 -14.170 -2.408 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.245 -0.770 0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.549 -0.412 0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.246 0.427 -1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.589 -0.492 -2.360 1.00 0.00 H new ATOM 477 N LEU A 61 -11.982 -2.823 0.731 1.00 0.00 N ATOM 478 CA LEU A 61 -10.528 -3.047 0.972 1.00 0.00 C ATOM 479 C LEU A 61 -10.048 -4.229 0.127 1.00 0.00 C ATOM 480 O LEU A 61 -9.017 -4.168 -0.514 1.00 0.00 O ATOM 481 CB LEU A 61 -10.298 -3.352 2.453 1.00 0.00 C ATOM 482 CG LEU A 61 -9.291 -2.355 3.029 1.00 0.00 C ATOM 483 CD1 LEU A 61 -10.029 -1.109 3.520 1.00 0.00 C ATOM 484 CD2 LEU A 61 -8.549 -3.001 4.201 1.00 0.00 C ATOM 0 H LEU A 61 -12.586 -2.987 1.536 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.971 -2.152 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.240 -3.290 2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.927 -4.370 2.572 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.577 -2.073 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.311 -0.399 3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.559 -0.648 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.743 -1.390 4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.831 -2.292 4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.264 -3.283 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.022 -3.890 3.853 1.00 0.00 H new ATOM 496 N THR A 62 -10.786 -5.305 0.120 1.00 0.00 N ATOM 497 CA THR A 62 -10.371 -6.489 -0.683 1.00 0.00 C ATOM 498 C THR A 62 -10.368 -6.122 -2.169 1.00 0.00 C ATOM 499 O THR A 62 -9.559 -6.605 -2.935 1.00 0.00 O ATOM 500 CB THR A 62 -11.353 -7.638 -0.444 1.00 0.00 C ATOM 501 OG1 THR A 62 -12.672 -7.202 -0.744 1.00 0.00 O ATOM 502 CG2 THR A 62 -11.280 -8.078 1.020 1.00 0.00 C ATOM 0 H THR A 62 -11.659 -5.415 0.636 1.00 0.00 H new ATOM 0 HA THR A 62 -9.370 -6.798 -0.383 1.00 0.00 H new ATOM 0 HB THR A 62 -11.093 -8.479 -1.087 1.00 0.00 H new ATOM 0 HG1 THR A 62 -12.679 -6.227 -0.844 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.980 -8.896 1.189 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.268 -8.412 1.249 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.540 -7.239 1.665 1.00 0.00 H new ATOM 510 N LYS A 63 -11.267 -5.270 -2.581 1.00 0.00 N ATOM 511 CA LYS A 63 -11.314 -4.873 -4.016 1.00 0.00 C ATOM 512 C LYS A 63 -10.041 -4.102 -4.374 1.00 0.00 C ATOM 513 O LYS A 63 -9.411 -4.358 -5.380 1.00 0.00 O ATOM 514 CB LYS A 63 -12.534 -3.983 -4.260 1.00 0.00 C ATOM 515 CG LYS A 63 -13.743 -4.855 -4.605 1.00 0.00 C ATOM 516 CD LYS A 63 -14.893 -3.967 -5.084 1.00 0.00 C ATOM 517 CE LYS A 63 -15.821 -4.778 -5.991 1.00 0.00 C ATOM 518 NZ LYS A 63 -16.639 -5.707 -5.161 1.00 0.00 N ATOM 0 H LYS A 63 -11.970 -4.832 -1.986 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.386 -5.766 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.745 -3.386 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.332 -3.286 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.477 -5.573 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.052 -5.429 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.449 -3.581 -4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.501 -3.106 -5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.471 -4.109 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.236 -5.342 -6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.270 -6.259 -5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.011 -6.353 -4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.208 -5.159 -4.485 1.00 0.00 H new ATOM 532 N LEU A 64 -9.660 -3.159 -3.556 1.00 0.00 N ATOM 533 CA LEU A 64 -8.429 -2.372 -3.850 1.00 0.00 C ATOM 534 C LEU A 64 -7.227 -3.315 -3.934 1.00 0.00 C ATOM 535 O LEU A 64 -6.541 -3.372 -4.935 1.00 0.00 O ATOM 536 CB LEU A 64 -8.199 -1.351 -2.733 1.00 0.00 C ATOM 537 CG LEU A 64 -7.717 -0.032 -3.338 1.00 0.00 C ATOM 538 CD1 LEU A 64 -8.911 0.903 -3.543 1.00 0.00 C ATOM 539 CD2 LEU A 64 -6.713 0.626 -2.390 1.00 0.00 C ATOM 0 H LEU A 64 -10.147 -2.900 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.549 -1.852 -4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.122 -1.192 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.461 -1.730 -2.026 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.239 -0.226 -4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.567 1.843 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.628 0.435 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.390 1.098 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.369 1.566 -2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.192 0.820 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.862 -0.039 -2.243 1.00 0.00 H new ATOM 551 N ALA A 65 -6.967 -4.055 -2.892 1.00 0.00 N ATOM 552 CA ALA A 65 -5.809 -4.993 -2.915 1.00 0.00 C ATOM 553 C ALA A 65 -5.974 -5.981 -4.071 1.00 0.00 C ATOM 554 O ALA A 65 -5.016 -6.546 -4.559 1.00 0.00 O ATOM 555 CB ALA A 65 -5.749 -5.762 -1.593 1.00 0.00 C ATOM 0 H ALA A 65 -7.506 -4.051 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.887 -4.427 -3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.902 -6.448 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.631 -5.059 -0.768 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.671 -6.327 -1.459 1.00 0.00 H new ATOM 561 N ALA A 66 -7.184 -6.195 -4.513 1.00 0.00 N ATOM 562 CA ALA A 66 -7.410 -7.147 -5.636 1.00 0.00 C ATOM 563 C ALA A 66 -6.852 -6.554 -6.931 1.00 0.00 C ATOM 564 O ALA A 66 -6.241 -7.240 -7.727 1.00 0.00 O ATOM 565 CB ALA A 66 -8.910 -7.401 -5.795 1.00 0.00 C ATOM 0 H ALA A 66 -8.025 -5.751 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.903 -8.088 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.076 -8.098 -6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.307 -7.826 -4.873 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.418 -6.460 -6.009 1.00 0.00 H new ATOM 571 N GLU A 67 -7.058 -5.284 -7.151 1.00 0.00 N ATOM 572 CA GLU A 67 -6.540 -4.650 -8.396 1.00 0.00 C ATOM 573 C GLU A 67 -5.035 -4.408 -8.260 1.00 0.00 C ATOM 574 O GLU A 67 -4.307 -4.409 -9.232 1.00 0.00 O ATOM 575 CB GLU A 67 -7.253 -3.316 -8.623 1.00 0.00 C ATOM 576 CG GLU A 67 -7.572 -3.153 -10.111 1.00 0.00 C ATOM 577 CD GLU A 67 -8.886 -3.868 -10.433 1.00 0.00 C ATOM 578 OE1 GLU A 67 -8.987 -5.044 -10.128 1.00 0.00 O ATOM 579 OE2 GLU A 67 -9.768 -3.226 -10.980 1.00 0.00 O ATOM 0 H GLU A 67 -7.562 -4.659 -6.523 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.725 -5.310 -9.243 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.171 -3.278 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.624 -2.493 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.650 -2.095 -10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.764 -3.566 -10.714 1.00 0.00 H new ATOM 586 N LEU A 68 -4.563 -4.201 -7.061 1.00 0.00 N ATOM 587 CA LEU A 68 -3.105 -3.959 -6.866 1.00 0.00 C ATOM 588 C LEU A 68 -2.328 -5.237 -7.190 1.00 0.00 C ATOM 589 O LEU A 68 -1.397 -5.228 -7.969 1.00 0.00 O ATOM 590 CB LEU A 68 -2.844 -3.559 -5.412 1.00 0.00 C ATOM 591 CG LEU A 68 -3.514 -2.215 -5.123 1.00 0.00 C ATOM 592 CD1 LEU A 68 -3.917 -2.152 -3.648 1.00 0.00 C ATOM 593 CD2 LEU A 68 -2.533 -1.081 -5.430 1.00 0.00 C ATOM 0 H LEU A 68 -5.123 -4.189 -6.209 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.778 -3.157 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.232 -4.323 -4.738 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.772 -3.489 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.401 -2.110 -5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.395 -1.194 -3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.614 -2.960 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.030 -2.257 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.009 -0.122 -5.224 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.647 -1.187 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.244 -1.125 -6.480 1.00 0.00 H new ATOM 605 N LYS A 69 -2.704 -6.336 -6.596 1.00 0.00 N ATOM 606 CA LYS A 69 -1.987 -7.613 -6.868 1.00 0.00 C ATOM 607 C LYS A 69 -2.220 -8.030 -8.321 1.00 0.00 C ATOM 608 O LYS A 69 -1.561 -8.910 -8.838 1.00 0.00 O ATOM 609 CB LYS A 69 -2.518 -8.702 -5.934 1.00 0.00 C ATOM 610 CG LYS A 69 -4.046 -8.727 -5.996 1.00 0.00 C ATOM 611 CD LYS A 69 -4.512 -10.040 -6.627 1.00 0.00 C ATOM 612 CE LYS A 69 -4.137 -11.208 -5.712 1.00 0.00 C ATOM 613 NZ LYS A 69 -5.367 -11.964 -5.343 1.00 0.00 N ATOM 0 H LYS A 69 -3.477 -6.405 -5.934 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.919 -7.475 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.116 -9.673 -6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.188 -8.513 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.462 -8.625 -4.994 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.410 -7.882 -6.580 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.591 -10.018 -6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.051 -10.169 -7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.430 -11.867 -6.216 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.642 -10.837 -4.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.113 -12.758 -4.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.027 -11.332 -4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.821 -12.330 -6.204 1.00 0.00 H new ATOM 627 N LYS A 70 -3.153 -7.406 -8.985 1.00 0.00 N ATOM 628 CA LYS A 70 -3.428 -7.768 -10.404 1.00 0.00 C ATOM 629 C LYS A 70 -2.320 -7.206 -11.299 1.00 0.00 C ATOM 630 O LYS A 70 -1.851 -7.862 -12.208 1.00 0.00 O ATOM 631 CB LYS A 70 -4.774 -7.177 -10.829 1.00 0.00 C ATOM 632 CG LYS A 70 -5.183 -7.761 -12.182 1.00 0.00 C ATOM 633 CD LYS A 70 -6.699 -7.965 -12.213 1.00 0.00 C ATOM 634 CE LYS A 70 -7.011 -9.444 -12.446 1.00 0.00 C ATOM 635 NZ LYS A 70 -8.468 -9.682 -12.245 1.00 0.00 N ATOM 0 H LYS A 70 -3.737 -6.661 -8.606 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.459 -8.853 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.534 -7.400 -10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.702 -6.091 -10.896 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.879 -7.091 -12.986 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.674 -8.710 -12.349 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.140 -7.633 -11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.142 -7.360 -13.004 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.720 -9.733 -13.456 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.433 -10.061 -11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.681 -10.688 -12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.732 -9.421 -11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.010 -9.103 -12.918 1.00 0.00 H new ATOM 649 N LYS A 71 -1.901 -5.996 -11.050 1.00 0.00 N ATOM 650 CA LYS A 71 -0.826 -5.392 -11.888 1.00 0.00 C ATOM 651 C LYS A 71 0.489 -6.141 -11.657 1.00 0.00 C ATOM 652 O LYS A 71 1.399 -6.077 -12.460 1.00 0.00 O ATOM 653 CB LYS A 71 -0.648 -3.921 -11.503 1.00 0.00 C ATOM 654 CG LYS A 71 0.432 -3.290 -12.384 1.00 0.00 C ATOM 655 CD LYS A 71 0.762 -1.891 -11.861 1.00 0.00 C ATOM 656 CE LYS A 71 0.635 -0.877 -12.999 1.00 0.00 C ATOM 657 NZ LYS A 71 -0.792 -0.770 -13.413 1.00 0.00 N ATOM 0 H LYS A 71 -2.256 -5.399 -10.303 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.103 -5.464 -12.940 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.590 -3.386 -11.624 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.368 -3.840 -10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.327 -3.912 -12.382 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.087 -3.232 -13.416 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.086 -1.627 -11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.773 -1.872 -11.454 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.005 0.096 -12.676 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.248 -1.186 -13.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.963 0.167 -13.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.006 -1.507 -14.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.405 -0.895 -12.582 1.00 0.00 H new ATOM 671 N CYS A 72 0.599 -6.848 -10.566 1.00 0.00 N ATOM 672 CA CYS A 72 1.857 -7.597 -10.287 1.00 0.00 C ATOM 673 C CYS A 72 1.777 -8.987 -10.922 1.00 0.00 C ATOM 674 O CYS A 72 2.721 -9.459 -11.524 1.00 0.00 O ATOM 675 CB CYS A 72 2.043 -7.734 -8.775 1.00 0.00 C ATOM 676 SG CYS A 72 3.548 -8.681 -8.435 1.00 0.00 S ATOM 0 H CYS A 72 -0.127 -6.939 -9.856 1.00 0.00 H new ATOM 0 HA CYS A 72 2.704 -7.056 -10.709 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.109 -6.748 -8.315 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.179 -8.233 -8.335 1.00 0.00 H new ATOM 0 HG CYS A 72 3.230 -9.827 -7.910 1.00 0.00 H new ATOM 682 N GLY A 73 0.659 -9.647 -10.793 1.00 0.00 N ATOM 683 CA GLY A 73 0.522 -11.006 -11.391 1.00 0.00 C ATOM 684 C GLY A 73 0.705 -12.068 -10.306 1.00 0.00 C ATOM 685 O GLY A 73 0.296 -13.202 -10.459 1.00 0.00 O ATOM 0 H GLY A 73 -0.165 -9.305 -10.300 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.458 -11.112 -11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.264 -11.144 -12.177 1.00 0.00 H new ATOM 689 N CYS A 74 1.316 -11.713 -9.210 1.00 0.00 N ATOM 690 CA CYS A 74 1.523 -12.707 -8.118 1.00 0.00 C ATOM 691 C CYS A 74 2.426 -12.103 -7.041 1.00 0.00 C ATOM 692 O CYS A 74 3.435 -11.492 -7.334 1.00 0.00 O ATOM 693 CB CYS A 74 2.182 -13.963 -8.692 1.00 0.00 C ATOM 694 SG CYS A 74 1.241 -15.424 -8.181 1.00 0.00 S ATOM 0 H CYS A 74 1.681 -10.779 -9.023 1.00 0.00 H new ATOM 0 HA CYS A 74 0.561 -12.969 -7.678 1.00 0.00 H new ATOM 0 HB2 CYS A 74 2.219 -13.903 -9.780 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.211 -14.039 -8.342 1.00 0.00 H new ATOM 0 HG CYS A 74 1.798 -16.492 -8.670 1.00 0.00 H new ATOM 700 N GLY A 75 2.071 -12.268 -5.796 1.00 0.00 N ATOM 701 CA GLY A 75 2.909 -11.704 -4.700 1.00 0.00 C ATOM 702 C GLY A 75 2.039 -10.842 -3.783 1.00 0.00 C ATOM 703 O GLY A 75 2.246 -10.785 -2.588 1.00 0.00 O ATOM 0 H GLY A 75 1.237 -12.769 -5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.370 -12.510 -4.129 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.719 -11.106 -5.118 1.00 0.00 H new ATOM 707 N GLY A 76 1.065 -10.171 -4.335 1.00 0.00 N ATOM 708 CA GLY A 76 0.183 -9.312 -3.495 1.00 0.00 C ATOM 709 C GLY A 76 -0.688 -10.190 -2.594 1.00 0.00 C ATOM 710 O GLY A 76 -1.705 -10.708 -3.011 1.00 0.00 O ATOM 0 H GLY A 76 0.842 -10.180 -5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.787 -8.638 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.447 -8.690 -4.131 1.00 0.00 H new ATOM 714 N ALA A 77 -0.299 -10.357 -1.360 1.00 0.00 N ATOM 715 CA ALA A 77 -1.105 -11.196 -0.429 1.00 0.00 C ATOM 716 C ALA A 77 -1.784 -10.292 0.602 1.00 0.00 C ATOM 717 O ALA A 77 -1.172 -9.401 1.157 1.00 0.00 O ATOM 718 CB ALA A 77 -0.189 -12.191 0.287 1.00 0.00 C ATOM 0 H ALA A 77 0.543 -9.948 -0.956 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.862 -11.744 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.779 -12.804 0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.298 -12.831 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.568 -11.647 0.852 1.00 0.00 H new ATOM 724 N VAL A 78 -3.044 -10.509 0.858 1.00 0.00 N ATOM 725 CA VAL A 78 -3.759 -9.654 1.847 1.00 0.00 C ATOM 726 C VAL A 78 -3.875 -10.392 3.183 1.00 0.00 C ATOM 727 O VAL A 78 -3.757 -11.600 3.251 1.00 0.00 O ATOM 728 CB VAL A 78 -5.159 -9.331 1.323 1.00 0.00 C ATOM 729 CG1 VAL A 78 -5.049 -8.624 -0.029 1.00 0.00 C ATOM 730 CG2 VAL A 78 -5.953 -10.629 1.156 1.00 0.00 C ATOM 0 H VAL A 78 -3.609 -11.240 0.426 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.200 -8.730 1.993 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.670 -8.680 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.047 -8.394 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.484 -7.699 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.537 -9.274 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.951 -10.400 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.441 -11.280 0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.033 -11.133 2.119 1.00 0.00 H new ATOM 740 N LYS A 79 -4.110 -9.672 4.245 1.00 0.00 N ATOM 741 CA LYS A 79 -4.241 -10.323 5.579 1.00 0.00 C ATOM 742 C LYS A 79 -5.337 -9.618 6.377 1.00 0.00 C ATOM 743 O LYS A 79 -5.081 -8.991 7.386 1.00 0.00 O ATOM 744 CB LYS A 79 -2.914 -10.220 6.333 1.00 0.00 C ATOM 745 CG LYS A 79 -2.138 -11.531 6.188 1.00 0.00 C ATOM 746 CD LYS A 79 -1.011 -11.573 7.222 1.00 0.00 C ATOM 747 CE LYS A 79 -1.484 -12.335 8.461 1.00 0.00 C ATOM 748 NZ LYS A 79 -0.751 -13.629 8.558 1.00 0.00 N ATOM 0 H LYS A 79 -4.217 -8.658 4.246 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.500 -11.374 5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.324 -9.391 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.098 -10.009 7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.807 -12.380 6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.726 -11.613 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.132 -12.057 6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.716 -10.560 7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.310 -11.738 9.356 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.557 -12.516 8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.072 -14.148 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.938 -14.199 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.270 -13.445 8.633 1.00 0.00 H new ATOM 762 N ASP A 80 -6.558 -9.714 5.929 1.00 0.00 N ATOM 763 CA ASP A 80 -7.676 -9.048 6.655 1.00 0.00 C ATOM 764 C ASP A 80 -7.318 -7.583 6.913 1.00 0.00 C ATOM 765 O ASP A 80 -7.104 -7.174 8.037 1.00 0.00 O ATOM 766 CB ASP A 80 -7.913 -9.758 7.989 1.00 0.00 C ATOM 767 CG ASP A 80 -9.241 -9.289 8.588 1.00 0.00 C ATOM 768 OD1 ASP A 80 -10.209 -9.219 7.850 1.00 0.00 O ATOM 769 OD2 ASP A 80 -9.265 -9.007 9.775 1.00 0.00 O ATOM 0 H ASP A 80 -6.830 -10.226 5.090 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.582 -9.099 6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.930 -10.838 7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.096 -9.544 8.677 1.00 0.00 H new ATOM 774 N GLY A 81 -7.255 -6.787 5.880 1.00 0.00 N ATOM 775 CA GLY A 81 -6.915 -5.348 6.066 1.00 0.00 C ATOM 776 C GLY A 81 -5.400 -5.160 5.969 1.00 0.00 C ATOM 777 O GLY A 81 -4.919 -4.113 5.582 1.00 0.00 O ATOM 0 H GLY A 81 -7.424 -7.072 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.415 -4.745 5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.273 -5.002 7.036 1.00 0.00 H new ATOM 781 N VAL A 82 -4.642 -6.163 6.318 1.00 0.00 N ATOM 782 CA VAL A 82 -3.159 -6.036 6.245 1.00 0.00 C ATOM 783 C VAL A 82 -2.670 -6.520 4.878 1.00 0.00 C ATOM 784 O VAL A 82 -2.379 -7.685 4.689 1.00 0.00 O ATOM 785 CB VAL A 82 -2.520 -6.884 7.346 1.00 0.00 C ATOM 786 CG1 VAL A 82 -1.007 -6.661 7.351 1.00 0.00 C ATOM 787 CG2 VAL A 82 -3.099 -6.476 8.703 1.00 0.00 C ATOM 0 H VAL A 82 -4.985 -7.064 6.650 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.877 -4.992 6.381 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.731 -7.937 7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.553 -7.266 8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.593 -6.950 6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.795 -5.608 7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.645 -7.079 9.489 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.888 -5.423 8.887 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.177 -6.635 8.701 1.00 0.00 H new ATOM 797 N ILE A 83 -2.576 -5.635 3.924 1.00 0.00 N ATOM 798 CA ILE A 83 -2.105 -6.043 2.571 1.00 0.00 C ATOM 799 C ILE A 83 -0.576 -6.097 2.559 1.00 0.00 C ATOM 800 O ILE A 83 0.084 -5.447 3.346 1.00 0.00 O ATOM 801 CB ILE A 83 -2.587 -5.026 1.534 1.00 0.00 C ATOM 802 CG1 ILE A 83 -4.095 -4.817 1.688 1.00 0.00 C ATOM 803 CG2 ILE A 83 -2.286 -5.548 0.128 1.00 0.00 C ATOM 804 CD1 ILE A 83 -4.463 -3.404 1.233 1.00 0.00 C ATOM 0 H ILE A 83 -2.805 -4.646 4.023 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.506 -7.027 2.328 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.071 -4.078 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.637 -5.554 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.389 -4.964 2.727 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.629 -4.823 -0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.212 -5.697 0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.802 -6.496 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.537 -3.255 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.931 -2.675 1.844 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.183 -3.274 0.188 1.00 0.00 H new ATOM 816 N GLU A 84 -0.006 -6.866 1.672 1.00 0.00 N ATOM 817 CA GLU A 84 1.480 -6.960 1.612 1.00 0.00 C ATOM 818 C GLU A 84 1.915 -7.236 0.171 1.00 0.00 C ATOM 819 O GLU A 84 1.647 -8.286 -0.378 1.00 0.00 O ATOM 820 CB GLU A 84 1.956 -8.101 2.515 1.00 0.00 C ATOM 821 CG GLU A 84 3.109 -7.610 3.392 1.00 0.00 C ATOM 822 CD GLU A 84 3.744 -8.800 4.114 1.00 0.00 C ATOM 823 OE1 GLU A 84 3.230 -9.898 3.971 1.00 0.00 O ATOM 824 OE2 GLU A 84 4.733 -8.594 4.798 1.00 0.00 O ATOM 0 H GLU A 84 -0.505 -7.433 0.987 1.00 0.00 H new ATOM 0 HA GLU A 84 1.918 -6.021 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.134 -8.452 3.139 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.280 -8.947 1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.855 -7.102 2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.744 -6.883 4.118 1.00 0.00 H new ATOM 831 N ILE A 85 2.584 -6.301 -0.447 1.00 0.00 N ATOM 832 CA ILE A 85 3.032 -6.513 -1.853 1.00 0.00 C ATOM 833 C ILE A 85 4.515 -6.157 -1.976 1.00 0.00 C ATOM 834 O ILE A 85 4.891 -5.002 -1.941 1.00 0.00 O ATOM 835 CB ILE A 85 2.214 -5.622 -2.788 1.00 0.00 C ATOM 836 CG1 ILE A 85 0.722 -5.879 -2.561 1.00 0.00 C ATOM 837 CG2 ILE A 85 2.569 -5.942 -4.241 1.00 0.00 C ATOM 838 CD1 ILE A 85 -0.081 -4.657 -3.008 1.00 0.00 C ATOM 0 H ILE A 85 2.839 -5.401 -0.040 1.00 0.00 H new ATOM 0 HA ILE A 85 2.886 -7.558 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 85 2.440 -4.576 -2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.405 -6.760 -3.120 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.534 -6.085 -1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.985 -5.306 -4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.631 -5.760 -4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.344 -6.988 -4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.143 -4.841 -2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.229 -3.787 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.098 -4.472 -4.067 1.00 0.00 H new ATOM 850 N GLN A 86 5.361 -7.140 -2.122 1.00 0.00 N ATOM 851 CA GLN A 86 6.818 -6.856 -2.249 1.00 0.00 C ATOM 852 C GLN A 86 7.043 -5.850 -3.380 1.00 0.00 C ATOM 853 O GLN A 86 6.312 -5.820 -4.350 1.00 0.00 O ATOM 854 CB GLN A 86 7.566 -8.153 -2.565 1.00 0.00 C ATOM 855 CG GLN A 86 7.582 -9.050 -1.326 1.00 0.00 C ATOM 856 CD GLN A 86 8.010 -10.463 -1.726 1.00 0.00 C ATOM 857 OE1 GLN A 86 7.849 -10.861 -2.862 1.00 0.00 O ATOM 858 NE2 GLN A 86 8.552 -11.244 -0.832 1.00 0.00 N ATOM 0 H GLN A 86 5.106 -8.127 -2.159 1.00 0.00 H new ATOM 0 HA GLN A 86 7.190 -6.441 -1.312 1.00 0.00 H new ATOM 0 HB2 GLN A 86 7.084 -8.670 -3.395 1.00 0.00 H new ATOM 0 HB3 GLN A 86 8.586 -7.930 -2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.269 -8.648 -0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.593 -9.074 -0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.687 -10.910 0.122 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.840 -12.188 -1.087 1.00 0.00 H new ATOM 867 N GLY A 87 8.049 -5.028 -3.264 1.00 0.00 N ATOM 868 CA GLY A 87 8.319 -4.027 -4.335 1.00 0.00 C ATOM 869 C GLY A 87 8.816 -2.725 -3.706 1.00 0.00 C ATOM 870 O GLY A 87 8.503 -2.411 -2.575 1.00 0.00 O ATOM 0 H GLY A 87 8.695 -5.006 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.064 -4.415 -5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.412 -3.842 -4.911 1.00 0.00 H new ATOM 874 N ASP A 88 9.589 -1.963 -4.431 1.00 0.00 N ATOM 875 CA ASP A 88 10.106 -0.681 -3.875 1.00 0.00 C ATOM 876 C ASP A 88 9.931 0.431 -4.912 1.00 0.00 C ATOM 877 O ASP A 88 10.838 0.747 -5.656 1.00 0.00 O ATOM 878 CB ASP A 88 11.590 -0.834 -3.537 1.00 0.00 C ATOM 879 CG ASP A 88 12.174 0.532 -3.173 1.00 0.00 C ATOM 880 OD1 ASP A 88 11.655 1.152 -2.260 1.00 0.00 O ATOM 881 OD2 ASP A 88 13.132 0.935 -3.813 1.00 0.00 O ATOM 0 H ASP A 88 9.885 -2.173 -5.384 1.00 0.00 H new ATOM 0 HA ASP A 88 9.552 -0.426 -2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 88 11.715 -1.528 -2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 88 12.126 -1.256 -4.387 1.00 0.00 H new ATOM 886 N LYS A 89 8.771 1.026 -4.967 1.00 0.00 N ATOM 887 CA LYS A 89 8.540 2.116 -5.957 1.00 0.00 C ATOM 888 C LYS A 89 7.551 3.130 -5.378 1.00 0.00 C ATOM 889 O LYS A 89 6.560 3.466 -5.995 1.00 0.00 O ATOM 890 CB LYS A 89 7.967 1.522 -7.245 1.00 0.00 C ATOM 891 CG LYS A 89 9.093 0.884 -8.060 1.00 0.00 C ATOM 892 CD LYS A 89 8.545 0.415 -9.409 1.00 0.00 C ATOM 893 CE LYS A 89 9.685 -0.161 -10.252 1.00 0.00 C ATOM 894 NZ LYS A 89 9.223 -0.336 -11.658 1.00 0.00 N ATOM 0 H LYS A 89 7.974 0.805 -4.370 1.00 0.00 H new ATOM 0 HA LYS A 89 9.484 2.614 -6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.208 0.776 -7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.477 2.300 -7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.898 1.603 -8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.518 0.041 -7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.774 -0.340 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.077 1.248 -9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.547 0.505 -10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.007 -1.118 -9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 9.997 -0.727 -12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.413 -0.988 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.936 0.585 -12.046 1.00 0.00 H new ATOM 908 N ARG A 90 7.811 3.619 -4.197 1.00 0.00 N ATOM 909 CA ARG A 90 6.885 4.611 -3.581 1.00 0.00 C ATOM 910 C ARG A 90 6.526 5.682 -4.612 1.00 0.00 C ATOM 911 O ARG A 90 5.440 6.227 -4.603 1.00 0.00 O ATOM 912 CB ARG A 90 7.567 5.268 -2.379 1.00 0.00 C ATOM 913 CG ARG A 90 8.748 6.113 -2.862 1.00 0.00 C ATOM 914 CD ARG A 90 9.602 6.530 -1.663 1.00 0.00 C ATOM 915 NE ARG A 90 10.219 7.859 -1.931 1.00 0.00 N ATOM 916 CZ ARG A 90 11.124 7.984 -2.863 1.00 0.00 C ATOM 917 NH1 ARG A 90 12.218 7.274 -2.809 1.00 0.00 N ATOM 918 NH2 ARG A 90 10.935 8.818 -3.849 1.00 0.00 N ATOM 0 H ARG A 90 8.624 3.375 -3.632 1.00 0.00 H new ATOM 0 HA ARG A 90 5.977 4.105 -3.252 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.855 5.893 -1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.913 4.505 -1.682 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.350 5.544 -3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.386 6.996 -3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.987 6.577 -0.764 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.378 5.787 -1.480 1.00 0.00 H new ATOM 0 HE ARG A 90 9.934 8.672 -1.385 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.365 6.622 -2.039 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.926 7.371 -3.537 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.080 9.372 -3.891 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.643 8.915 -4.577 1.00 0.00 H new ATOM 932 N ASP A 91 7.430 5.989 -5.502 1.00 0.00 N ATOM 933 CA ASP A 91 7.141 7.026 -6.532 1.00 0.00 C ATOM 934 C ASP A 91 5.872 6.645 -7.297 1.00 0.00 C ATOM 935 O ASP A 91 4.930 7.409 -7.377 1.00 0.00 O ATOM 936 CB ASP A 91 8.316 7.117 -7.508 1.00 0.00 C ATOM 937 CG ASP A 91 8.586 8.584 -7.846 1.00 0.00 C ATOM 938 OD1 ASP A 91 7.752 9.182 -8.506 1.00 0.00 O ATOM 939 OD2 ASP A 91 9.622 9.084 -7.440 1.00 0.00 O ATOM 0 H ASP A 91 8.356 5.566 -5.560 1.00 0.00 H new ATOM 0 HA ASP A 91 6.997 7.991 -6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.204 6.665 -7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.092 6.559 -8.417 1.00 0.00 H new ATOM 944 N LEU A 92 5.838 5.469 -7.862 1.00 0.00 N ATOM 945 CA LEU A 92 4.630 5.041 -8.622 1.00 0.00 C ATOM 946 C LEU A 92 3.432 4.962 -7.674 1.00 0.00 C ATOM 947 O LEU A 92 2.373 5.489 -7.951 1.00 0.00 O ATOM 948 CB LEU A 92 4.880 3.666 -9.245 1.00 0.00 C ATOM 949 CG LEU A 92 3.612 3.189 -9.955 1.00 0.00 C ATOM 950 CD1 LEU A 92 3.994 2.304 -11.142 1.00 0.00 C ATOM 951 CD2 LEU A 92 2.753 2.386 -8.976 1.00 0.00 C ATOM 0 H LEU A 92 6.595 4.786 -7.830 1.00 0.00 H new ATOM 0 HA LEU A 92 4.422 5.764 -9.410 1.00 0.00 H new ATOM 0 HB2 LEU A 92 5.707 3.721 -9.953 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.168 2.952 -8.473 1.00 0.00 H new ATOM 0 HG LEU A 92 3.049 4.051 -10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.090 1.964 -11.648 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.607 2.875 -11.839 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.557 1.441 -10.786 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.849 2.045 -9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.317 1.524 -8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.481 3.016 -8.129 1.00 0.00 H new ATOM 963 N LEU A 93 3.590 4.307 -6.556 1.00 0.00 N ATOM 964 CA LEU A 93 2.459 4.195 -5.592 1.00 0.00 C ATOM 965 C LEU A 93 1.834 5.575 -5.376 1.00 0.00 C ATOM 966 O LEU A 93 0.651 5.699 -5.128 1.00 0.00 O ATOM 967 CB LEU A 93 2.979 3.656 -4.257 1.00 0.00 C ATOM 968 CG LEU A 93 2.844 2.133 -4.234 1.00 0.00 C ATOM 969 CD1 LEU A 93 1.383 1.746 -4.471 1.00 0.00 C ATOM 970 CD2 LEU A 93 3.716 1.528 -5.337 1.00 0.00 C ATOM 0 H LEU A 93 4.453 3.845 -6.269 1.00 0.00 H new ATOM 0 HA LEU A 93 1.707 3.514 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.022 3.941 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.417 4.094 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 93 3.167 1.754 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.287 0.660 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.761 2.177 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.059 2.124 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.621 0.442 -5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.392 1.907 -6.306 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.757 1.803 -5.170 1.00 0.00 H new ATOM 982 N LYS A 94 2.618 6.613 -5.469 1.00 0.00 N ATOM 983 CA LYS A 94 2.068 7.983 -5.269 1.00 0.00 C ATOM 984 C LYS A 94 0.987 8.258 -6.316 1.00 0.00 C ATOM 985 O LYS A 94 -0.167 8.463 -5.992 1.00 0.00 O ATOM 986 CB LYS A 94 3.192 9.011 -5.415 1.00 0.00 C ATOM 987 CG LYS A 94 2.974 10.152 -4.420 1.00 0.00 C ATOM 988 CD LYS A 94 4.176 11.099 -4.458 1.00 0.00 C ATOM 989 CE LYS A 94 4.001 12.189 -3.399 1.00 0.00 C ATOM 990 NZ LYS A 94 5.005 13.267 -3.625 1.00 0.00 N ATOM 0 H LYS A 94 3.616 6.572 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 94 1.635 8.057 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.157 8.538 -5.236 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.212 9.401 -6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.062 10.695 -4.667 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.844 9.752 -3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.096 10.544 -4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.267 11.549 -5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.993 12.600 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.124 11.766 -2.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.886 14.008 -2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.963 12.869 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.867 13.677 -4.571 1.00 0.00 H new ATOM 1004 N SER A 95 1.349 8.263 -7.569 1.00 0.00 N ATOM 1005 CA SER A 95 0.342 8.525 -8.635 1.00 0.00 C ATOM 1006 C SER A 95 -0.722 7.425 -8.614 1.00 0.00 C ATOM 1007 O SER A 95 -1.792 7.572 -9.171 1.00 0.00 O ATOM 1008 CB SER A 95 1.034 8.538 -9.999 1.00 0.00 C ATOM 1009 OG SER A 95 2.260 7.824 -9.909 1.00 0.00 O ATOM 0 H SER A 95 2.299 8.097 -7.901 1.00 0.00 H new ATOM 0 HA SER A 95 -0.130 9.491 -8.458 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.389 8.084 -10.751 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.220 9.564 -10.316 1.00 0.00 H new ATOM 0 HG SER A 95 2.706 7.828 -10.782 1.00 0.00 H new ATOM 1015 N LEU A 96 -0.436 6.323 -7.975 1.00 0.00 N ATOM 1016 CA LEU A 96 -1.432 5.216 -7.920 1.00 0.00 C ATOM 1017 C LEU A 96 -2.576 5.604 -6.981 1.00 0.00 C ATOM 1018 O LEU A 96 -3.735 5.400 -7.283 1.00 0.00 O ATOM 1019 CB LEU A 96 -0.754 3.946 -7.399 1.00 0.00 C ATOM 1020 CG LEU A 96 -1.813 2.880 -7.118 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -1.208 1.491 -7.325 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -2.298 3.013 -5.672 1.00 0.00 C ATOM 0 H LEU A 96 0.443 6.142 -7.490 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.828 5.034 -8.919 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.037 3.577 -8.132 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.195 4.167 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.653 3.015 -7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.964 0.731 -7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.861 1.395 -8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.367 1.355 -6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.053 2.253 -5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.457 2.878 -4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.730 4.003 -5.523 1.00 0.00 H new ATOM 1034 N LEU A 97 -2.260 6.163 -5.845 1.00 0.00 N ATOM 1035 CA LEU A 97 -3.331 6.564 -4.889 1.00 0.00 C ATOM 1036 C LEU A 97 -4.037 7.818 -5.410 1.00 0.00 C ATOM 1037 O LEU A 97 -5.237 7.961 -5.289 1.00 0.00 O ATOM 1038 CB LEU A 97 -2.710 6.858 -3.522 1.00 0.00 C ATOM 1039 CG LEU A 97 -3.523 6.161 -2.431 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -4.969 6.657 -2.475 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -3.496 4.648 -2.665 1.00 0.00 C ATOM 0 H LEU A 97 -1.307 6.359 -5.538 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.054 5.754 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.677 6.511 -3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.689 7.933 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.092 6.387 -1.456 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.548 6.160 -1.697 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.989 7.734 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.402 6.431 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.075 4.149 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.928 4.423 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.466 4.293 -2.634 1.00 0.00 H new ATOM 1053 N GLU A 98 -3.301 8.728 -5.987 1.00 0.00 N ATOM 1054 CA GLU A 98 -3.931 9.971 -6.514 1.00 0.00 C ATOM 1055 C GLU A 98 -4.785 9.631 -7.737 1.00 0.00 C ATOM 1056 O GLU A 98 -5.673 10.371 -8.111 1.00 0.00 O ATOM 1057 CB GLU A 98 -2.839 10.965 -6.915 1.00 0.00 C ATOM 1058 CG GLU A 98 -3.167 12.344 -6.338 1.00 0.00 C ATOM 1059 CD GLU A 98 -2.022 13.311 -6.643 1.00 0.00 C ATOM 1060 OE1 GLU A 98 -1.118 12.919 -7.362 1.00 0.00 O ATOM 1061 OE2 GLU A 98 -2.069 14.427 -6.153 1.00 0.00 O ATOM 0 H GLU A 98 -2.291 8.664 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.561 10.414 -5.743 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -1.871 10.626 -6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.765 11.022 -8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.097 12.718 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.319 12.272 -5.261 1.00 0.00 H new ATOM 1068 N ALA A 99 -4.523 8.516 -8.364 1.00 0.00 N ATOM 1069 CA ALA A 99 -5.321 8.130 -9.562 1.00 0.00 C ATOM 1070 C ALA A 99 -6.807 8.104 -9.199 1.00 0.00 C ATOM 1071 O ALA A 99 -7.662 8.350 -10.026 1.00 0.00 O ATOM 1072 CB ALA A 99 -4.887 6.742 -10.037 1.00 0.00 C ATOM 0 H ALA A 99 -3.792 7.857 -8.098 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.155 8.855 -10.359 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.470 6.459 -10.913 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.828 6.761 -10.296 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.053 6.017 -9.241 1.00 0.00 H new ATOM 1078 N LYS A 100 -7.121 7.807 -7.967 1.00 0.00 N ATOM 1079 CA LYS A 100 -8.552 7.766 -7.553 1.00 0.00 C ATOM 1080 C LYS A 100 -8.984 9.152 -7.072 1.00 0.00 C ATOM 1081 O LYS A 100 -10.147 9.501 -7.116 1.00 0.00 O ATOM 1082 CB LYS A 100 -8.724 6.755 -6.417 1.00 0.00 C ATOM 1083 CG LYS A 100 -8.686 5.335 -6.986 1.00 0.00 C ATOM 1084 CD LYS A 100 -7.740 4.474 -6.148 1.00 0.00 C ATOM 1085 CE LYS A 100 -6.539 4.059 -6.999 1.00 0.00 C ATOM 1086 NZ LYS A 100 -6.883 2.838 -7.781 1.00 0.00 N ATOM 0 H LYS A 100 -6.449 7.591 -7.230 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.168 7.468 -8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.932 6.883 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.670 6.927 -5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.687 4.904 -6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.352 5.356 -8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.404 5.030 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.263 3.590 -5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.260 4.869 -7.673 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.677 3.864 -6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.067 2.555 -8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.129 2.066 -7.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.694 3.039 -8.401 1.00 0.00 H new ATOM 1100 N GLY A 101 -8.056 9.947 -6.612 1.00 0.00 N ATOM 1101 CA GLY A 101 -8.415 11.310 -6.128 1.00 0.00 C ATOM 1102 C GLY A 101 -8.618 11.279 -4.613 1.00 0.00 C ATOM 1103 O GLY A 101 -9.370 12.057 -4.061 1.00 0.00 O ATOM 0 H GLY A 101 -7.065 9.711 -6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -7.627 12.018 -6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.325 11.654 -6.620 1.00 0.00 H new ATOM 1107 N MET A 102 -7.951 10.385 -3.934 1.00 0.00 N ATOM 1108 CA MET A 102 -8.106 10.305 -2.454 1.00 0.00 C ATOM 1109 C MET A 102 -6.823 10.793 -1.780 1.00 0.00 C ATOM 1110 O MET A 102 -5.870 11.168 -2.435 1.00 0.00 O ATOM 1111 CB MET A 102 -8.377 8.855 -2.048 1.00 0.00 C ATOM 1112 CG MET A 102 -9.569 8.316 -2.840 1.00 0.00 C ATOM 1113 SD MET A 102 -10.338 6.957 -1.925 1.00 0.00 S ATOM 1114 CE MET A 102 -8.885 5.880 -1.855 1.00 0.00 C ATOM 0 H MET A 102 -7.306 9.707 -4.340 1.00 0.00 H new ATOM 0 HA MET A 102 -8.941 10.932 -2.141 1.00 0.00 H new ATOM 0 HB2 MET A 102 -7.495 8.243 -2.237 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.582 8.798 -0.979 1.00 0.00 H new ATOM 0 HG2 MET A 102 -10.295 9.111 -3.010 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.241 7.969 -3.820 1.00 0.00 H new ATOM 0 HE1 MET A 102 -9.202 4.853 -1.674 1.00 0.00 H new ATOM 0 HE2 MET A 102 -8.347 5.933 -2.802 1.00 0.00 H new ATOM 0 HE3 MET A 102 -8.230 6.205 -1.047 1.00 0.00 H new ATOM 1124 N LYS A 103 -6.789 10.790 -0.475 1.00 0.00 N ATOM 1125 CA LYS A 103 -5.566 11.254 0.239 1.00 0.00 C ATOM 1126 C LYS A 103 -4.615 10.073 0.441 1.00 0.00 C ATOM 1127 O LYS A 103 -5.005 8.926 0.347 1.00 0.00 O ATOM 1128 CB LYS A 103 -5.959 11.831 1.601 1.00 0.00 C ATOM 1129 CG LYS A 103 -5.891 13.359 1.547 1.00 0.00 C ATOM 1130 CD LYS A 103 -4.468 13.818 1.870 1.00 0.00 C ATOM 1131 CE LYS A 103 -4.253 15.233 1.330 1.00 0.00 C ATOM 1132 NZ LYS A 103 -2.868 15.681 1.648 1.00 0.00 N ATOM 0 H LYS A 103 -7.555 10.487 0.127 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.070 12.023 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.966 11.510 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.290 11.454 2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.183 13.712 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.594 13.790 2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.304 13.800 2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.744 13.134 1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.414 15.251 0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.978 15.916 1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -2.721 16.643 1.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -2.731 15.679 2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -2.184 15.034 1.206 1.00 0.00 H new ATOM 1146 N VAL A 104 -3.369 10.343 0.718 1.00 0.00 N ATOM 1147 CA VAL A 104 -2.394 9.235 0.926 1.00 0.00 C ATOM 1148 C VAL A 104 -1.252 9.722 1.820 1.00 0.00 C ATOM 1149 O VAL A 104 -0.734 10.806 1.647 1.00 0.00 O ATOM 1150 CB VAL A 104 -1.830 8.792 -0.425 1.00 0.00 C ATOM 1151 CG1 VAL A 104 -1.314 10.013 -1.189 1.00 0.00 C ATOM 1152 CG2 VAL A 104 -0.679 7.810 -0.199 1.00 0.00 C ATOM 0 H VAL A 104 -2.984 11.283 0.809 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.896 8.394 1.404 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.615 8.306 -1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.912 9.697 -2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.133 10.714 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.529 10.499 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.276 7.494 -1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.106 8.296 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.045 6.939 0.345 1.00 0.00 H new ATOM 1162 N LYS A 105 -0.856 8.927 2.777 1.00 0.00 N ATOM 1163 CA LYS A 105 0.252 9.345 3.681 1.00 0.00 C ATOM 1164 C LYS A 105 1.503 8.521 3.369 1.00 0.00 C ATOM 1165 O LYS A 105 1.602 7.365 3.727 1.00 0.00 O ATOM 1166 CB LYS A 105 -0.162 9.112 5.136 1.00 0.00 C ATOM 1167 CG LYS A 105 -0.216 10.452 5.872 1.00 0.00 C ATOM 1168 CD LYS A 105 -0.379 10.203 7.373 1.00 0.00 C ATOM 1169 CE LYS A 105 -0.133 11.506 8.136 1.00 0.00 C ATOM 1170 NZ LYS A 105 -0.329 11.272 9.595 1.00 0.00 N ATOM 0 H LYS A 105 -1.252 8.007 2.971 1.00 0.00 H new ATOM 0 HA LYS A 105 0.466 10.403 3.529 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -1.136 8.624 5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.548 8.445 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 105 0.695 11.020 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -1.047 11.051 5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -1.381 9.829 7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.323 9.437 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.879 11.865 7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.816 12.280 7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.162 12.158 10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.302 10.948 9.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.340 10.547 9.923 1.00 0.00 H new ATOM 1184 N LEU A 106 2.460 9.108 2.703 1.00 0.00 N ATOM 1185 CA LEU A 106 3.703 8.358 2.368 1.00 0.00 C ATOM 1186 C LEU A 106 4.217 7.640 3.617 1.00 0.00 C ATOM 1187 O LEU A 106 4.917 6.651 3.532 1.00 0.00 O ATOM 1188 CB LEU A 106 4.769 9.335 1.867 1.00 0.00 C ATOM 1189 CG LEU A 106 5.363 8.815 0.557 1.00 0.00 C ATOM 1190 CD1 LEU A 106 4.346 8.992 -0.571 1.00 0.00 C ATOM 1191 CD2 LEU A 106 6.632 9.604 0.226 1.00 0.00 C ATOM 0 H LEU A 106 2.434 10.074 2.377 1.00 0.00 H new ATOM 0 HA LEU A 106 3.487 7.626 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.330 10.321 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.554 9.448 2.615 1.00 0.00 H new ATOM 0 HG LEU A 106 5.607 7.758 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 106 4.770 8.621 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.441 8.432 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.102 10.049 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.057 9.235 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.386 10.661 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.358 9.479 1.029 1.00 0.00 H new ATOM 1203 N ALA A 107 3.875 8.129 4.778 1.00 0.00 N ATOM 1204 CA ALA A 107 4.344 7.473 6.030 1.00 0.00 C ATOM 1205 C ALA A 107 5.830 7.131 5.901 1.00 0.00 C ATOM 1206 O ALA A 107 6.209 5.977 5.855 1.00 0.00 O ATOM 1207 CB ALA A 107 3.544 6.191 6.266 1.00 0.00 C ATOM 0 H ALA A 107 3.291 8.954 4.913 1.00 0.00 H new ATOM 0 HA ALA A 107 4.199 8.151 6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.888 5.711 7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.486 6.434 6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 107 3.688 5.512 5.425 1.00 0.00 H new ATOM 1213 N GLY A 108 6.674 8.124 5.842 1.00 0.00 N ATOM 1214 CA GLY A 108 8.135 7.854 5.715 1.00 0.00 C ATOM 1215 C GLY A 108 8.837 8.215 7.025 1.00 0.00 C ATOM 1216 O GLY A 108 8.204 8.488 8.025 1.00 0.00 O ATOM 0 H GLY A 108 6.416 9.110 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.302 6.803 5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 108 8.553 8.436 4.894 1.00 0.00 H new ATOM 1220 N GLY A 109 10.142 8.219 7.028 1.00 0.00 N ATOM 1221 CA GLY A 109 10.884 8.563 8.274 1.00 0.00 C ATOM 1222 C GLY A 109 12.138 7.693 8.379 1.00 0.00 C ATOM 1223 O GLY A 109 12.284 6.711 7.679 1.00 0.00 O ATOM 0 H GLY A 109 10.726 7.999 6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.160 9.617 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.246 8.407 9.144 1.00 0.00 H new ATOM 1227 N LEU A 110 13.044 8.045 9.250 1.00 0.00 N ATOM 1228 CA LEU A 110 14.287 7.238 9.399 1.00 0.00 C ATOM 1229 C LEU A 110 15.036 7.204 8.065 1.00 0.00 C ATOM 1230 O LEU A 110 14.869 6.299 7.271 1.00 0.00 O ATOM 1231 CB LEU A 110 13.922 5.812 9.815 1.00 0.00 C ATOM 1232 CG LEU A 110 13.838 5.730 11.340 1.00 0.00 C ATOM 1233 CD1 LEU A 110 13.222 4.391 11.747 1.00 0.00 C ATOM 1234 CD2 LEU A 110 15.244 5.845 11.934 1.00 0.00 C ATOM 0 H LEU A 110 12.977 8.856 9.864 1.00 0.00 H new ATOM 0 HA LEU A 110 14.923 7.688 10.162 1.00 0.00 H new ATOM 0 HB2 LEU A 110 12.968 5.526 9.372 1.00 0.00 H new ATOM 0 HB3 LEU A 110 14.669 5.111 9.443 1.00 0.00 H new ATOM 0 HG LEU A 110 13.216 6.544 11.713 1.00 0.00 H new ATOM 0 HD11 LEU A 110 13.162 4.333 12.834 1.00 0.00 H new ATOM 0 HD12 LEU A 110 12.221 4.307 11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 110 13.843 3.576 11.374 1.00 0.00 H new ATOM 0 HD21 LEU A 110 15.186 5.787 13.021 1.00 0.00 H new ATOM 0 HD22 LEU A 110 15.865 5.031 11.560 1.00 0.00 H new ATOM 0 HD23 LEU A 110 15.684 6.799 11.645 1.00 0.00 H new ATOM 1246 N GLU A 111 15.861 8.183 7.812 1.00 0.00 N ATOM 1247 CA GLU A 111 16.619 8.206 6.530 1.00 0.00 C ATOM 1248 C GLU A 111 17.477 9.471 6.467 1.00 0.00 C ATOM 1249 O GLU A 111 16.906 10.549 6.426 1.00 0.00 O ATOM 1250 CB GLU A 111 15.638 8.196 5.356 1.00 0.00 C ATOM 1251 CG GLU A 111 16.415 8.223 4.039 1.00 0.00 C ATOM 1252 CD GLU A 111 15.437 8.144 2.866 1.00 0.00 C ATOM 1253 OE1 GLU A 111 14.255 8.346 3.091 1.00 0.00 O ATOM 1254 OE2 GLU A 111 15.886 7.881 1.762 1.00 0.00 O ATOM 0 H GLU A 111 16.043 8.968 8.438 1.00 0.00 H new ATOM 0 HA GLU A 111 17.262 7.328 6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.010 7.306 5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.974 9.058 5.416 1.00 0.00 H new ATOM 0 HG2 GLU A 111 17.006 9.136 3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 111 17.114 7.388 4.000 1.00 0.00 H new TER 1261 GLU A 111