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= -0.535 K(o=-0.53,f=-1.7) USER MOD Single : A 39 GLN : amide:sc= -0.189 K(o=-0.19,f=-2.5!) USER MOD Single : A 40 THR OG1 : rot -1:sc= 0.851 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 -23:sc= -0.178 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot -141:sc= 0.401 USER MOD Single : A 74 CYS SG : rot 180:sc= -0.0691 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.9!) 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 USER MOD Single : A 100 LYS NZ :NH3+ 139:sc= -0.0877 (180deg=-0.553) USER MOD Single : A 102 MET CE :methyl -171:sc= -1.47 (180deg=-1.71) 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 -3.945 17.335 9.288 1.00 0.00 N ATOM 2 CA LYS A 29 -3.455 16.145 10.038 1.00 0.00 C ATOM 3 C LYS A 29 -4.527 15.053 10.019 1.00 0.00 C ATOM 4 O LYS A 29 -4.761 14.383 11.005 1.00 0.00 O ATOM 5 CB LYS A 29 -3.156 16.541 11.485 1.00 0.00 C ATOM 6 CG LYS A 29 -1.661 16.827 11.639 1.00 0.00 C ATOM 7 CD LYS A 29 -1.457 18.298 12.005 1.00 0.00 C ATOM 8 CE LYS A 29 -0.444 18.405 13.146 1.00 0.00 C ATOM 9 NZ LYS A 29 0.477 19.548 12.887 1.00 0.00 N ATOM 0 HA LYS A 29 -2.545 15.770 9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.736 17.423 11.759 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.455 15.740 12.161 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.235 16.187 12.412 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.138 16.597 10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.103 18.854 11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.406 18.744 12.304 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.962 18.549 14.094 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.124 17.478 13.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.166 19.621 13.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.980 19.392 11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.072 20.429 12.827 1.00 0.00 H new ATOM 22 N GLY A 30 -5.181 14.870 8.905 1.00 0.00 N ATOM 23 CA GLY A 30 -6.237 13.821 8.824 1.00 0.00 C ATOM 24 C GLY A 30 -6.911 13.878 7.452 1.00 0.00 C ATOM 25 O GLY A 30 -8.075 14.206 7.335 1.00 0.00 O ATOM 0 H GLY A 30 -5.030 15.401 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.799 12.836 8.985 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.976 13.973 9.610 1.00 0.00 H new ATOM 29 N ASP A 31 -6.189 13.561 6.413 1.00 0.00 N ATOM 30 CA ASP A 31 -6.789 13.598 5.049 1.00 0.00 C ATOM 31 C ASP A 31 -6.795 12.187 4.457 1.00 0.00 C ATOM 32 O ASP A 31 -7.835 11.617 4.195 1.00 0.00 O ATOM 33 CB ASP A 31 -5.965 14.524 4.153 1.00 0.00 C ATOM 34 CG ASP A 31 -5.995 15.944 4.721 1.00 0.00 C ATOM 35 OD1 ASP A 31 -6.577 16.126 5.778 1.00 0.00 O ATOM 36 OD2 ASP A 31 -5.436 16.826 4.090 1.00 0.00 O ATOM 0 H ASP A 31 -5.210 13.278 6.449 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.811 13.971 5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.937 14.167 4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.366 14.518 3.139 1.00 0.00 H new ATOM 41 N GLY A 32 -5.639 11.620 4.242 1.00 0.00 N ATOM 42 CA GLY A 32 -5.578 10.246 3.667 1.00 0.00 C ATOM 43 C GLY A 32 -4.171 9.979 3.131 1.00 0.00 C ATOM 44 O GLY A 32 -3.632 10.752 2.364 1.00 0.00 O ATOM 0 H GLY A 32 -4.735 12.049 4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.834 9.510 4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.310 10.143 2.866 1.00 0.00 H new ATOM 48 N VAL A 33 -3.571 8.891 3.528 1.00 0.00 N ATOM 49 CA VAL A 33 -2.198 8.577 3.040 1.00 0.00 C ATOM 50 C VAL A 33 -2.011 7.060 2.979 1.00 0.00 C ATOM 51 O VAL A 33 -2.622 6.319 3.723 1.00 0.00 O ATOM 52 CB VAL A 33 -1.168 9.180 3.997 1.00 0.00 C ATOM 53 CG1 VAL A 33 0.143 9.425 3.248 1.00 0.00 C ATOM 54 CG2 VAL A 33 -1.697 10.507 4.544 1.00 0.00 C ATOM 0 H VAL A 33 -3.971 8.206 4.169 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.061 8.999 2.044 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.992 8.490 4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.877 9.855 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.521 8.480 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.033 10.115 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.964 10.938 5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.873 11.196 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.631 10.334 5.078 1.00 0.00 H new ATOM 64 N VAL A 34 -1.170 6.593 2.097 1.00 0.00 N ATOM 65 CA VAL A 34 -0.943 5.124 1.989 1.00 0.00 C ATOM 66 C VAL A 34 0.552 4.853 1.805 1.00 0.00 C ATOM 67 O VAL A 34 1.169 5.329 0.873 1.00 0.00 O ATOM 68 CB VAL A 34 -1.712 4.576 0.785 1.00 0.00 C ATOM 69 CG1 VAL A 34 -1.324 3.115 0.553 1.00 0.00 C ATOM 70 CG2 VAL A 34 -3.215 4.666 1.058 1.00 0.00 C ATOM 0 H VAL A 34 -0.631 7.165 1.447 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.293 4.634 2.897 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.466 5.162 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.872 2.725 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.253 3.049 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.570 2.528 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.764 4.276 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.460 4.079 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.493 5.707 1.224 1.00 0.00 H new ATOM 80 N ARG A 35 1.140 4.094 2.689 1.00 0.00 N ATOM 81 CA ARG A 35 2.594 3.796 2.565 1.00 0.00 C ATOM 82 C ARG A 35 2.789 2.557 1.688 1.00 0.00 C ATOM 83 O ARG A 35 2.450 1.455 2.070 1.00 0.00 O ATOM 84 CB ARG A 35 3.182 3.535 3.953 1.00 0.00 C ATOM 85 CG ARG A 35 3.543 4.868 4.613 1.00 0.00 C ATOM 86 CD ARG A 35 3.882 4.633 6.086 1.00 0.00 C ATOM 87 NE ARG A 35 3.790 5.923 6.828 1.00 0.00 N ATOM 88 CZ ARG A 35 4.148 5.981 8.081 1.00 0.00 C ATOM 89 NH1 ARG A 35 3.276 5.735 9.021 1.00 0.00 N ATOM 90 NH2 ARG A 35 5.378 6.285 8.396 1.00 0.00 N ATOM 0 H ARG A 35 0.676 3.668 3.491 1.00 0.00 H new ATOM 0 HA ARG A 35 3.101 4.647 2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.463 2.995 4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.068 2.905 3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.392 5.321 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.710 5.566 4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.196 3.904 6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.886 4.219 6.178 1.00 0.00 H new ATOM 0 HE ARG A 35 3.447 6.760 6.356 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.315 5.497 8.776 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.556 5.780 10.001 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.060 6.477 7.662 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.657 6.330 9.376 1.00 0.00 H new ATOM 104 N ILE A 36 3.335 2.729 0.515 1.00 0.00 N ATOM 105 CA ILE A 36 3.553 1.562 -0.385 1.00 0.00 C ATOM 106 C ILE A 36 5.054 1.360 -0.601 1.00 0.00 C ATOM 107 O ILE A 36 5.703 2.132 -1.278 1.00 0.00 O ATOM 108 CB ILE A 36 2.874 1.822 -1.731 1.00 0.00 C ATOM 109 CG1 ILE A 36 1.384 2.089 -1.506 1.00 0.00 C ATOM 110 CG2 ILE A 36 3.041 0.597 -2.632 1.00 0.00 C ATOM 111 CD1 ILE A 36 0.907 3.170 -2.478 1.00 0.00 C ATOM 0 H ILE A 36 3.640 3.628 0.141 1.00 0.00 H new ATOM 0 HA ILE A 36 3.127 0.667 0.069 1.00 0.00 H new ATOM 0 HB ILE A 36 3.332 2.689 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.813 1.173 -1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.212 2.408 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.557 0.782 -3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.102 0.405 -2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.583 -0.270 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.154 3.360 -2.318 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.470 4.087 -2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.065 2.833 -3.503 1.00 0.00 H new ATOM 123 N GLN A 37 5.612 0.326 -0.031 1.00 0.00 N ATOM 124 CA GLN A 37 7.070 0.077 -0.205 1.00 0.00 C ATOM 125 C GLN A 37 7.297 -1.386 -0.591 1.00 0.00 C ATOM 126 O GLN A 37 6.401 -2.060 -1.059 1.00 0.00 O ATOM 127 CB GLN A 37 7.798 0.376 1.107 1.00 0.00 C ATOM 128 CG GLN A 37 7.440 -0.690 2.144 1.00 0.00 C ATOM 129 CD GLN A 37 7.387 -0.054 3.534 1.00 0.00 C ATOM 130 OE1 GLN A 37 8.408 0.288 4.098 1.00 0.00 O ATOM 131 NE2 GLN A 37 6.232 0.121 4.115 1.00 0.00 N ATOM 0 H GLN A 37 5.121 -0.356 0.547 1.00 0.00 H new ATOM 0 HA GLN A 37 7.457 0.724 -0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.875 0.391 0.942 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.518 1.364 1.474 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.477 -1.139 1.901 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.179 -1.491 2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.375 -0.166 3.642 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.186 0.545 5.042 1.00 0.00 H new ATOM 140 N ARG A 38 8.488 -1.881 -0.400 1.00 0.00 N ATOM 141 CA ARG A 38 8.772 -3.300 -0.757 1.00 0.00 C ATOM 142 C ARG A 38 9.469 -3.991 0.417 1.00 0.00 C ATOM 143 O ARG A 38 10.413 -3.475 0.981 1.00 0.00 O ATOM 144 CB ARG A 38 9.679 -3.345 -1.988 1.00 0.00 C ATOM 145 CG ARG A 38 10.947 -2.533 -1.718 1.00 0.00 C ATOM 146 CD ARG A 38 11.631 -2.197 -3.044 1.00 0.00 C ATOM 147 NE ARG A 38 12.219 -3.435 -3.627 1.00 0.00 N ATOM 148 CZ ARG A 38 13.046 -3.354 -4.634 1.00 0.00 C ATOM 149 NH1 ARG A 38 14.128 -2.631 -4.533 1.00 0.00 N ATOM 150 NH2 ARG A 38 12.790 -3.994 -5.742 1.00 0.00 N ATOM 0 H ARG A 38 9.277 -1.365 -0.012 1.00 0.00 H new ATOM 0 HA ARG A 38 7.836 -3.814 -0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.939 -4.377 -2.224 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.154 -2.942 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.698 -1.617 -1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.625 -3.100 -1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.911 -1.762 -3.737 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.410 -1.452 -2.885 1.00 0.00 H new ATOM 0 HE ARG A 38 11.975 -4.347 -3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.327 -2.129 -3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.774 -2.568 -5.320 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.944 -4.558 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.436 -3.931 -6.529 1.00 0.00 H new ATOM 164 N GLN A 39 9.012 -5.155 0.789 1.00 0.00 N ATOM 165 CA GLN A 39 9.650 -5.877 1.925 1.00 0.00 C ATOM 166 C GLN A 39 10.051 -7.284 1.475 1.00 0.00 C ATOM 167 O GLN A 39 9.391 -8.256 1.783 1.00 0.00 O ATOM 168 CB GLN A 39 8.659 -5.977 3.087 1.00 0.00 C ATOM 169 CG GLN A 39 9.410 -6.339 4.370 1.00 0.00 C ATOM 170 CD GLN A 39 8.436 -6.953 5.376 1.00 0.00 C ATOM 171 OE1 GLN A 39 7.389 -7.444 5.004 1.00 0.00 O ATOM 172 NE2 GLN A 39 8.738 -6.947 6.646 1.00 0.00 N ATOM 0 H GLN A 39 8.225 -5.637 0.355 1.00 0.00 H new ATOM 0 HA GLN A 39 10.537 -5.332 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.135 -5.030 3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.903 -6.732 2.870 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.212 -7.043 4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.875 -5.450 4.795 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.617 -6.535 6.959 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.095 -7.354 7.325 1.00 0.00 H new ATOM 181 N THR A 40 11.129 -7.399 0.749 1.00 0.00 N ATOM 182 CA THR A 40 11.571 -8.743 0.280 1.00 0.00 C ATOM 183 C THR A 40 12.793 -9.188 1.086 1.00 0.00 C ATOM 184 O THR A 40 13.512 -10.086 0.695 1.00 0.00 O ATOM 185 CB THR A 40 11.938 -8.670 -1.204 1.00 0.00 C ATOM 186 OG1 THR A 40 12.754 -9.782 -1.544 1.00 0.00 O ATOM 187 CG2 THR A 40 12.699 -7.372 -1.480 1.00 0.00 C ATOM 0 H THR A 40 11.722 -6.621 0.460 1.00 0.00 H new ATOM 0 HA THR A 40 10.763 -9.461 0.420 1.00 0.00 H new ATOM 0 HB THR A 40 11.029 -8.690 -1.805 1.00 0.00 H new ATOM 0 HG1 THR A 40 12.908 -10.330 -0.747 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.960 -7.321 -2.537 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.071 -6.520 -1.220 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.609 -7.349 -0.880 1.00 0.00 H new ATOM 195 N SER A 41 13.033 -8.568 2.209 1.00 0.00 N ATOM 196 CA SER A 41 14.208 -8.957 3.038 1.00 0.00 C ATOM 197 C SER A 41 14.159 -10.460 3.319 1.00 0.00 C ATOM 198 O SER A 41 13.101 -11.055 3.385 1.00 0.00 O ATOM 199 CB SER A 41 14.175 -8.190 4.360 1.00 0.00 C ATOM 200 OG SER A 41 15.497 -7.800 4.709 1.00 0.00 O ATOM 0 H SER A 41 12.466 -7.809 2.588 1.00 0.00 H new ATOM 0 HA SER A 41 15.126 -8.718 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.536 -7.311 4.268 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.748 -8.814 5.145 1.00 0.00 H new ATOM 0 HG SER A 41 15.480 -7.306 5.555 1.00 0.00 H new ATOM 206 N GLY A 42 15.295 -11.080 3.483 1.00 0.00 N ATOM 207 CA GLY A 42 15.312 -12.545 3.760 1.00 0.00 C ATOM 208 C GLY A 42 14.840 -13.305 2.519 1.00 0.00 C ATOM 209 O GLY A 42 14.187 -12.756 1.655 1.00 0.00 O ATOM 0 H GLY A 42 16.212 -10.636 3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.318 -12.863 4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.665 -12.773 4.607 1.00 0.00 H new ATOM 213 N ARG A 43 15.166 -14.565 2.425 1.00 0.00 N ATOM 214 CA ARG A 43 14.735 -15.359 1.239 1.00 0.00 C ATOM 215 C ARG A 43 13.444 -16.110 1.570 1.00 0.00 C ATOM 216 O ARG A 43 13.434 -17.022 2.372 1.00 0.00 O ATOM 217 CB ARG A 43 15.830 -16.363 0.873 1.00 0.00 C ATOM 218 CG ARG A 43 16.664 -15.810 -0.284 1.00 0.00 C ATOM 219 CD ARG A 43 17.752 -16.819 -0.657 1.00 0.00 C ATOM 220 NE ARG A 43 18.577 -16.270 -1.770 1.00 0.00 N ATOM 221 CZ ARG A 43 19.604 -16.942 -2.214 1.00 0.00 C ATOM 222 NH1 ARG A 43 20.205 -17.803 -1.439 1.00 0.00 N ATOM 223 NH2 ARG A 43 20.030 -16.752 -3.433 1.00 0.00 N ATOM 0 H ARG A 43 15.711 -15.079 3.117 1.00 0.00 H new ATOM 0 HA ARG A 43 14.560 -14.689 0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 43 16.468 -16.553 1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 43 15.384 -17.317 0.590 1.00 0.00 H new ATOM 0 HG2 ARG A 43 16.025 -15.613 -1.145 1.00 0.00 H new ATOM 0 HG3 ARG A 43 17.116 -14.860 0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 43 18.382 -17.028 0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 43 17.299 -17.764 -0.957 1.00 0.00 H new ATOM 0 HE ARG A 43 18.339 -15.369 -2.185 1.00 0.00 H new ATOM 0 HH11 ARG A 43 19.872 -17.951 -0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 43 21.008 -18.328 -1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.560 -16.079 -4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 43 20.833 -17.277 -3.780 1.00 0.00 H new ATOM 237 N LYS A 44 12.354 -15.734 0.959 1.00 0.00 N ATOM 238 CA LYS A 44 11.065 -16.428 1.239 1.00 0.00 C ATOM 239 C LYS A 44 9.984 -15.899 0.294 1.00 0.00 C ATOM 240 O LYS A 44 8.820 -15.840 0.638 1.00 0.00 O ATOM 241 CB LYS A 44 10.649 -16.164 2.688 1.00 0.00 C ATOM 242 CG LYS A 44 9.891 -17.378 3.230 1.00 0.00 C ATOM 243 CD LYS A 44 9.567 -17.159 4.709 1.00 0.00 C ATOM 244 CE LYS A 44 8.904 -18.415 5.278 1.00 0.00 C ATOM 245 NZ LYS A 44 8.497 -18.165 6.690 1.00 0.00 N ATOM 0 H LYS A 44 12.300 -14.976 0.278 1.00 0.00 H new ATOM 0 HA LYS A 44 11.189 -17.500 1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.529 -15.968 3.300 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.020 -15.276 2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.972 -17.529 2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.492 -18.279 3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.479 -16.934 5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.904 -16.301 4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.033 -18.683 4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.595 -19.257 5.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.046 -19.018 7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.337 -17.929 7.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.824 -17.373 6.722 1.00 0.00 H new ATOM 259 N GLY A 45 10.359 -15.513 -0.895 1.00 0.00 N ATOM 260 CA GLY A 45 9.351 -14.989 -1.860 1.00 0.00 C ATOM 261 C GLY A 45 10.030 -14.032 -2.840 1.00 0.00 C ATOM 262 O GLY A 45 11.082 -13.489 -2.564 1.00 0.00 O ATOM 0 H GLY A 45 11.319 -15.538 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.889 -15.814 -2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.554 -14.473 -1.325 1.00 0.00 H new ATOM 266 N LYS A 46 9.438 -13.820 -3.983 1.00 0.00 N ATOM 267 CA LYS A 46 10.051 -12.898 -4.980 1.00 0.00 C ATOM 268 C LYS A 46 9.934 -11.456 -4.480 1.00 0.00 C ATOM 269 O LYS A 46 10.877 -10.692 -4.533 1.00 0.00 O ATOM 270 CB LYS A 46 9.323 -13.035 -6.319 1.00 0.00 C ATOM 271 CG LYS A 46 9.795 -14.306 -7.028 1.00 0.00 C ATOM 272 CD LYS A 46 9.025 -14.475 -8.339 1.00 0.00 C ATOM 273 CE LYS A 46 9.581 -15.676 -9.107 1.00 0.00 C ATOM 274 NZ LYS A 46 8.840 -15.831 -10.391 1.00 0.00 N ATOM 0 H LYS A 46 8.556 -14.245 -4.270 1.00 0.00 H new ATOM 0 HA LYS A 46 11.103 -13.153 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.246 -13.075 -6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.520 -12.163 -6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.865 -14.248 -7.227 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.637 -15.173 -6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.964 -14.621 -8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.112 -13.572 -8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.644 -15.535 -9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 46 9.484 -16.581 -8.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.218 -16.647 -10.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.830 -15.984 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.954 -14.971 -10.964 1.00 0.00 H new ATOM 288 N GLY A 47 8.782 -11.078 -3.996 1.00 0.00 N ATOM 289 CA GLY A 47 8.608 -9.685 -3.494 1.00 0.00 C ATOM 290 C GLY A 47 7.158 -9.475 -3.054 1.00 0.00 C ATOM 291 O GLY A 47 6.237 -10.003 -3.645 1.00 0.00 O ATOM 0 H GLY A 47 7.956 -11.672 -3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.282 -9.502 -2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.869 -8.971 -4.275 1.00 0.00 H new ATOM 295 N VAL A 48 6.948 -8.707 -2.020 1.00 0.00 N ATOM 296 CA VAL A 48 5.558 -8.462 -1.543 1.00 0.00 C ATOM 297 C VAL A 48 5.377 -6.971 -1.251 1.00 0.00 C ATOM 298 O VAL A 48 6.332 -6.249 -1.045 1.00 0.00 O ATOM 299 CB VAL A 48 5.308 -9.266 -0.266 1.00 0.00 C ATOM 300 CG1 VAL A 48 5.252 -10.757 -0.603 1.00 0.00 C ATOM 301 CG2 VAL A 48 6.444 -9.011 0.727 1.00 0.00 C ATOM 0 H VAL A 48 7.679 -8.239 -1.485 1.00 0.00 H new ATOM 0 HA VAL A 48 4.849 -8.772 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 48 4.361 -8.958 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.074 -11.329 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.443 -10.940 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.199 -11.066 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.267 -9.584 1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.391 -9.319 0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.485 -7.949 0.968 1.00 0.00 H new ATOM 311 N CYS A 49 4.159 -6.504 -1.232 1.00 0.00 N ATOM 312 CA CYS A 49 3.920 -5.060 -0.954 1.00 0.00 C ATOM 313 C CYS A 49 3.227 -4.908 0.401 1.00 0.00 C ATOM 314 O CYS A 49 2.075 -5.257 0.563 1.00 0.00 O ATOM 315 CB CYS A 49 3.030 -4.470 -2.050 1.00 0.00 C ATOM 316 SG CYS A 49 3.954 -3.211 -2.965 1.00 0.00 S ATOM 0 H CYS A 49 3.320 -7.060 -1.397 1.00 0.00 H new ATOM 0 HA CYS A 49 4.873 -4.532 -0.936 1.00 0.00 H new ATOM 0 HB2 CYS A 49 2.699 -5.257 -2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.135 -4.031 -1.609 1.00 0.00 H new ATOM 0 HG CYS A 49 4.916 -2.753 -2.221 1.00 0.00 H new ATOM 322 N LEU A 50 3.920 -4.388 1.377 1.00 0.00 N ATOM 323 CA LEU A 50 3.300 -4.213 2.721 1.00 0.00 C ATOM 324 C LEU A 50 2.719 -2.802 2.834 1.00 0.00 C ATOM 325 O LEU A 50 3.383 -1.823 2.558 1.00 0.00 O ATOM 326 CB LEU A 50 4.360 -4.417 3.805 1.00 0.00 C ATOM 327 CG LEU A 50 3.677 -4.581 5.163 1.00 0.00 C ATOM 328 CD1 LEU A 50 3.261 -6.041 5.354 1.00 0.00 C ATOM 329 CD2 LEU A 50 4.649 -4.180 6.274 1.00 0.00 C ATOM 0 H LEU A 50 4.888 -4.077 1.302 1.00 0.00 H new ATOM 0 HA LEU A 50 2.504 -4.946 2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.961 -5.298 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.040 -3.565 3.829 1.00 0.00 H new ATOM 0 HG LEU A 50 2.794 -3.944 5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.774 -6.157 6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.568 -6.328 4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.144 -6.679 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.163 -4.297 7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.532 -4.817 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.946 -3.140 6.140 1.00 0.00 H new ATOM 341 N ILE A 51 1.484 -2.691 3.238 1.00 0.00 N ATOM 342 CA ILE A 51 0.860 -1.345 3.369 1.00 0.00 C ATOM 343 C ILE A 51 0.405 -1.133 4.815 1.00 0.00 C ATOM 344 O ILE A 51 -0.475 -1.812 5.304 1.00 0.00 O ATOM 345 CB ILE A 51 -0.349 -1.250 2.436 1.00 0.00 C ATOM 346 CG1 ILE A 51 0.003 -1.869 1.082 1.00 0.00 C ATOM 347 CG2 ILE A 51 -0.730 0.219 2.241 1.00 0.00 C ATOM 348 CD1 ILE A 51 1.085 -1.028 0.401 1.00 0.00 C ATOM 0 H ILE A 51 0.880 -3.475 3.483 1.00 0.00 H new ATOM 0 HA ILE A 51 1.588 -0.579 3.100 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.189 -1.788 2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.355 -2.892 1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.885 -1.919 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.591 0.286 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.980 0.661 3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.110 0.758 1.802 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.336 -1.469 -0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.716 -0.013 0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.975 -1.002 1.030 1.00 0.00 H new ATOM 360 N THR A 52 1.000 -0.197 5.502 1.00 0.00 N ATOM 361 CA THR A 52 0.602 0.057 6.915 1.00 0.00 C ATOM 362 C THR A 52 0.624 1.562 7.189 1.00 0.00 C ATOM 363 O THR A 52 0.569 1.997 8.322 1.00 0.00 O ATOM 364 CB THR A 52 1.583 -0.648 7.855 1.00 0.00 C ATOM 365 OG1 THR A 52 1.805 -1.974 7.397 1.00 0.00 O ATOM 366 CG2 THR A 52 1.001 -0.684 9.269 1.00 0.00 C ATOM 0 H THR A 52 1.744 0.403 5.146 1.00 0.00 H new ATOM 0 HA THR A 52 -0.404 -0.328 7.084 1.00 0.00 H new ATOM 0 HB THR A 52 2.528 -0.105 7.868 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.434 -2.426 7.997 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.700 -1.186 9.938 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.832 0.334 9.619 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.055 -1.226 9.260 1.00 0.00 H new ATOM 374 N GLY A 53 0.703 2.360 6.160 1.00 0.00 N ATOM 375 CA GLY A 53 0.728 3.837 6.363 1.00 0.00 C ATOM 376 C GLY A 53 -0.678 4.405 6.167 1.00 0.00 C ATOM 377 O GLY A 53 -0.855 5.586 5.943 1.00 0.00 O ATOM 0 H GLY A 53 0.751 2.054 5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.089 4.071 7.365 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.420 4.299 5.659 1.00 0.00 H new ATOM 381 N VAL A 54 -1.681 3.573 6.249 1.00 0.00 N ATOM 382 CA VAL A 54 -3.075 4.067 6.066 1.00 0.00 C ATOM 383 C VAL A 54 -3.585 4.653 7.384 1.00 0.00 C ATOM 384 O VAL A 54 -3.902 3.936 8.313 1.00 0.00 O ATOM 385 CB VAL A 54 -3.975 2.905 5.643 1.00 0.00 C ATOM 386 CG1 VAL A 54 -5.401 3.416 5.429 1.00 0.00 C ATOM 387 CG2 VAL A 54 -3.449 2.304 4.338 1.00 0.00 C ATOM 0 H VAL A 54 -1.595 2.574 6.435 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.090 4.838 5.296 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.975 2.143 6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.043 2.588 5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.776 3.847 6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.401 4.178 4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.089 1.476 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.450 3.067 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.432 1.941 4.489 1.00 0.00 H new ATOM 397 N ASP A 55 -3.666 5.953 7.475 1.00 0.00 N ATOM 398 CA ASP A 55 -4.155 6.583 8.733 1.00 0.00 C ATOM 399 C ASP A 55 -5.623 6.982 8.568 1.00 0.00 C ATOM 400 O ASP A 55 -5.935 8.093 8.186 1.00 0.00 O ATOM 401 CB ASP A 55 -3.320 7.829 9.038 1.00 0.00 C ATOM 402 CG ASP A 55 -3.806 8.463 10.342 1.00 0.00 C ATOM 403 OD1 ASP A 55 -4.341 7.740 11.167 1.00 0.00 O ATOM 404 OD2 ASP A 55 -3.637 9.662 10.494 1.00 0.00 O ATOM 0 H ASP A 55 -3.415 6.605 6.732 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.062 5.872 9.554 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.267 7.562 9.122 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.403 8.545 8.220 1.00 0.00 H new ATOM 409 N LEU A 56 -6.527 6.085 8.853 1.00 0.00 N ATOM 410 CA LEU A 56 -7.974 6.415 8.713 1.00 0.00 C ATOM 411 C LEU A 56 -8.707 6.046 10.005 1.00 0.00 C ATOM 412 O LEU A 56 -8.098 5.747 11.012 1.00 0.00 O ATOM 413 CB LEU A 56 -8.567 5.623 7.546 1.00 0.00 C ATOM 414 CG LEU A 56 -7.865 6.024 6.247 1.00 0.00 C ATOM 415 CD1 LEU A 56 -8.033 4.912 5.211 1.00 0.00 C ATOM 416 CD2 LEU A 56 -8.485 7.316 5.712 1.00 0.00 C ATOM 0 H LEU A 56 -6.327 5.139 9.176 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.087 7.482 8.522 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.448 4.554 7.721 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.637 5.816 7.468 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.804 6.182 6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.533 5.198 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.593 3.990 5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.094 4.754 5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.986 7.603 4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.546 7.157 5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.366 8.110 6.450 1.00 0.00 H new ATOM 428 N ASP A 57 -10.012 6.066 9.984 1.00 0.00 N ATOM 429 CA ASP A 57 -10.782 5.717 11.211 1.00 0.00 C ATOM 430 C ASP A 57 -10.885 4.196 11.332 1.00 0.00 C ATOM 431 O ASP A 57 -10.353 3.599 12.247 1.00 0.00 O ATOM 432 CB ASP A 57 -12.186 6.318 11.119 1.00 0.00 C ATOM 433 CG ASP A 57 -12.142 7.789 11.535 1.00 0.00 C ATOM 434 OD1 ASP A 57 -11.051 8.331 11.605 1.00 0.00 O ATOM 435 OD2 ASP A 57 -13.199 8.348 11.776 1.00 0.00 O ATOM 0 H ASP A 57 -10.578 6.309 9.171 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.272 6.117 12.087 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.565 6.229 10.101 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.871 5.768 11.764 1.00 0.00 H new ATOM 440 N ASP A 58 -11.565 3.563 10.416 1.00 0.00 N ATOM 441 CA ASP A 58 -11.702 2.081 10.479 1.00 0.00 C ATOM 442 C ASP A 58 -12.546 1.598 9.298 1.00 0.00 C ATOM 443 O ASP A 58 -12.167 0.694 8.580 1.00 0.00 O ATOM 444 CB ASP A 58 -12.386 1.687 11.790 1.00 0.00 C ATOM 445 CG ASP A 58 -11.646 0.504 12.416 1.00 0.00 C ATOM 446 OD1 ASP A 58 -10.733 0.000 11.784 1.00 0.00 O ATOM 447 OD2 ASP A 58 -12.006 0.122 13.518 1.00 0.00 O ATOM 0 H ASP A 58 -12.032 4.009 9.626 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.715 1.622 10.433 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.391 2.532 12.478 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.427 1.421 11.604 1.00 0.00 H new ATOM 452 N ALA A 59 -13.688 2.194 9.090 1.00 0.00 N ATOM 453 CA ALA A 59 -14.554 1.769 7.954 1.00 0.00 C ATOM 454 C ALA A 59 -13.946 2.260 6.639 1.00 0.00 C ATOM 455 O ALA A 59 -14.034 1.604 5.620 1.00 0.00 O ATOM 456 CB ALA A 59 -15.951 2.368 8.126 1.00 0.00 C ATOM 0 H ALA A 59 -14.059 2.956 9.657 1.00 0.00 H new ATOM 0 HA ALA A 59 -14.625 0.681 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -16.585 2.057 7.295 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -16.384 2.018 9.063 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -15.881 3.456 8.142 1.00 0.00 H new ATOM 462 N GLU A 60 -13.329 3.410 6.653 1.00 0.00 N ATOM 463 CA GLU A 60 -12.716 3.941 5.403 1.00 0.00 C ATOM 464 C GLU A 60 -11.493 3.097 5.038 1.00 0.00 C ATOM 465 O GLU A 60 -11.133 2.975 3.884 1.00 0.00 O ATOM 466 CB GLU A 60 -12.286 5.393 5.623 1.00 0.00 C ATOM 467 CG GLU A 60 -13.375 6.332 5.099 1.00 0.00 C ATOM 468 CD GLU A 60 -13.176 7.727 5.695 1.00 0.00 C ATOM 469 OE1 GLU A 60 -12.863 7.808 6.871 1.00 0.00 O ATOM 470 OE2 GLU A 60 -13.339 8.691 4.964 1.00 0.00 O ATOM 0 H GLU A 60 -13.223 4.004 7.475 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.444 3.896 4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.113 5.576 6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.345 5.587 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.335 6.381 4.011 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.360 5.948 5.365 1.00 0.00 H new ATOM 477 N LEU A 61 -10.852 2.512 6.013 1.00 0.00 N ATOM 478 CA LEU A 61 -9.654 1.676 5.720 1.00 0.00 C ATOM 479 C LEU A 61 -10.078 0.436 4.930 1.00 0.00 C ATOM 480 O LEU A 61 -9.574 0.170 3.857 1.00 0.00 O ATOM 481 CB LEU A 61 -9.000 1.243 7.035 1.00 0.00 C ATOM 482 CG LEU A 61 -7.486 1.151 6.846 1.00 0.00 C ATOM 483 CD1 LEU A 61 -6.781 1.743 8.068 1.00 0.00 C ATOM 484 CD2 LEU A 61 -7.081 -0.316 6.686 1.00 0.00 C ATOM 0 H LEU A 61 -11.106 2.577 6.999 1.00 0.00 H new ATOM 0 HA LEU A 61 -8.942 2.255 5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -9.236 1.958 7.823 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.397 0.278 7.350 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.197 1.708 5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.701 1.677 7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.069 2.788 8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.069 1.186 8.960 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.001 -0.383 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.370 -0.873 7.577 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.582 -0.739 5.815 1.00 0.00 H new ATOM 496 N THR A 62 -11.001 -0.325 5.452 1.00 0.00 N ATOM 497 CA THR A 62 -11.455 -1.546 4.730 1.00 0.00 C ATOM 498 C THR A 62 -12.025 -1.152 3.366 1.00 0.00 C ATOM 499 O THR A 62 -11.840 -1.841 2.382 1.00 0.00 O ATOM 500 CB THR A 62 -12.539 -2.250 5.551 1.00 0.00 C ATOM 501 OG1 THR A 62 -12.979 -3.408 4.856 1.00 0.00 O ATOM 502 CG2 THR A 62 -13.718 -1.300 5.764 1.00 0.00 C ATOM 0 H THR A 62 -11.460 -0.154 6.347 1.00 0.00 H new ATOM 0 HA THR A 62 -10.609 -2.219 4.589 1.00 0.00 H new ATOM 0 HB THR A 62 -12.131 -2.540 6.519 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.672 -3.861 5.381 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.489 -1.802 6.348 1.00 0.00 H new ATOM 0 HG22 THR A 62 -13.378 -0.413 6.298 1.00 0.00 H new ATOM 0 HG23 THR A 62 -14.128 -1.007 4.798 1.00 0.00 H new ATOM 510 N LYS A 63 -12.718 -0.048 3.298 1.00 0.00 N ATOM 511 CA LYS A 63 -13.300 0.388 1.997 1.00 0.00 C ATOM 512 C LYS A 63 -12.183 0.540 0.962 1.00 0.00 C ATOM 513 O LYS A 63 -12.157 -0.144 -0.042 1.00 0.00 O ATOM 514 CB LYS A 63 -14.010 1.731 2.181 1.00 0.00 C ATOM 515 CG LYS A 63 -15.481 1.591 1.782 1.00 0.00 C ATOM 516 CD LYS A 63 -15.938 2.861 1.060 1.00 0.00 C ATOM 517 CE LYS A 63 -17.135 2.537 0.165 1.00 0.00 C ATOM 518 NZ LYS A 63 -18.016 3.735 0.061 1.00 0.00 N ATOM 0 H LYS A 63 -12.906 0.571 4.087 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.016 -0.358 1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.933 2.056 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.528 2.495 1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.612 0.724 1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.094 1.423 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.210 3.627 1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.122 3.265 0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.792 2.238 -0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.693 1.696 0.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.830 3.515 -0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.353 4.001 1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.480 4.526 -0.350 1.00 0.00 H new ATOM 532 N LEU A 64 -11.261 1.433 1.197 1.00 0.00 N ATOM 533 CA LEU A 64 -10.148 1.630 0.225 1.00 0.00 C ATOM 534 C LEU A 64 -9.524 0.276 -0.123 1.00 0.00 C ATOM 535 O LEU A 64 -9.320 -0.045 -1.277 1.00 0.00 O ATOM 536 CB LEU A 64 -9.083 2.536 0.847 1.00 0.00 C ATOM 537 CG LEU A 64 -8.094 2.979 -0.233 1.00 0.00 C ATOM 538 CD1 LEU A 64 -7.868 4.488 -0.130 1.00 0.00 C ATOM 539 CD2 LEU A 64 -6.763 2.250 -0.035 1.00 0.00 C ATOM 0 H LEU A 64 -11.230 2.035 2.020 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.537 2.093 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.553 3.407 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.557 2.005 1.641 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.498 2.738 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.163 4.804 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.816 5.008 -0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.464 4.729 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.058 2.565 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.359 2.491 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.923 1.174 -0.108 1.00 0.00 H new ATOM 551 N ALA A 65 -9.218 -0.518 0.865 1.00 0.00 N ATOM 552 CA ALA A 65 -8.605 -1.849 0.591 1.00 0.00 C ATOM 553 C ALA A 65 -9.431 -2.589 -0.464 1.00 0.00 C ATOM 554 O ALA A 65 -8.895 -3.219 -1.355 1.00 0.00 O ATOM 555 CB ALA A 65 -8.575 -2.670 1.881 1.00 0.00 C ATOM 0 H ALA A 65 -9.366 -0.303 1.851 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.589 -1.710 0.222 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.127 -3.644 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.985 -2.146 2.632 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.592 -2.807 2.249 1.00 0.00 H new ATOM 561 N ALA A 66 -10.730 -2.523 -0.370 1.00 0.00 N ATOM 562 CA ALA A 66 -11.587 -3.228 -1.365 1.00 0.00 C ATOM 563 C ALA A 66 -11.457 -2.548 -2.730 1.00 0.00 C ATOM 564 O ALA A 66 -11.497 -3.191 -3.760 1.00 0.00 O ATOM 565 CB ALA A 66 -13.046 -3.177 -0.909 1.00 0.00 C ATOM 0 H ALA A 66 -11.236 -2.011 0.353 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.266 -4.266 -1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.673 -3.693 -1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.141 -3.664 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.365 -2.138 -0.827 1.00 0.00 H new ATOM 571 N GLU A 67 -11.303 -1.253 -2.747 1.00 0.00 N ATOM 572 CA GLU A 67 -11.173 -0.535 -4.047 1.00 0.00 C ATOM 573 C GLU A 67 -9.857 -0.930 -4.722 1.00 0.00 C ATOM 574 O GLU A 67 -9.750 -0.945 -5.932 1.00 0.00 O ATOM 575 CB GLU A 67 -11.185 0.974 -3.799 1.00 0.00 C ATOM 576 CG GLU A 67 -12.173 1.642 -4.757 1.00 0.00 C ATOM 577 CD GLU A 67 -12.013 3.161 -4.677 1.00 0.00 C ATOM 578 OE1 GLU A 67 -10.890 3.612 -4.521 1.00 0.00 O ATOM 579 OE2 GLU A 67 -13.017 3.849 -4.772 1.00 0.00 O ATOM 0 H GLU A 67 -11.262 -0.661 -1.918 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.007 -0.805 -4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.467 1.181 -2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.186 1.385 -3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.995 1.300 -5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.194 1.359 -4.499 1.00 0.00 H new ATOM 586 N LEU A 68 -8.855 -1.248 -3.949 1.00 0.00 N ATOM 587 CA LEU A 68 -7.548 -1.640 -4.549 1.00 0.00 C ATOM 588 C LEU A 68 -7.616 -3.096 -5.011 1.00 0.00 C ATOM 589 O LEU A 68 -7.017 -3.473 -5.999 1.00 0.00 O ATOM 590 CB LEU A 68 -6.441 -1.486 -3.504 1.00 0.00 C ATOM 591 CG LEU A 68 -5.437 -0.433 -3.977 1.00 0.00 C ATOM 592 CD1 LEU A 68 -5.445 0.751 -3.009 1.00 0.00 C ATOM 593 CD2 LEU A 68 -4.037 -1.048 -4.017 1.00 0.00 C ATOM 0 H LEU A 68 -8.884 -1.253 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.332 -0.998 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.869 -1.191 -2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.938 -2.440 -3.348 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.713 -0.089 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.730 1.501 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.443 1.189 -2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.168 0.408 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.320 -0.299 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.762 -1.391 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.030 -1.893 -4.706 1.00 0.00 H new ATOM 605 N LYS A 69 -8.343 -3.918 -4.305 1.00 0.00 N ATOM 606 CA LYS A 69 -8.451 -5.349 -4.705 1.00 0.00 C ATOM 607 C LYS A 69 -9.412 -5.474 -5.889 1.00 0.00 C ATOM 608 O LYS A 69 -9.529 -6.519 -6.499 1.00 0.00 O ATOM 609 CB LYS A 69 -8.983 -6.167 -3.526 1.00 0.00 C ATOM 610 CG LYS A 69 -8.392 -7.578 -3.574 1.00 0.00 C ATOM 611 CD LYS A 69 -9.051 -8.443 -2.498 1.00 0.00 C ATOM 612 CE LYS A 69 -10.565 -8.467 -2.719 1.00 0.00 C ATOM 613 NZ LYS A 69 -11.089 -9.829 -2.418 1.00 0.00 N ATOM 0 H LYS A 69 -8.867 -3.660 -3.469 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.469 -5.723 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.719 -5.683 -2.586 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.071 -6.216 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.553 -8.018 -4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.314 -7.538 -3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.651 -9.456 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.823 -8.047 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.049 -7.730 -2.078 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.797 -8.196 -3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.118 -9.846 -2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.636 -10.522 -3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.879 -10.071 -1.428 1.00 0.00 H new ATOM 627 N LYS A 70 -10.103 -4.417 -6.220 1.00 0.00 N ATOM 628 CA LYS A 70 -11.055 -4.475 -7.364 1.00 0.00 C ATOM 629 C LYS A 70 -10.273 -4.622 -8.671 1.00 0.00 C ATOM 630 O LYS A 70 -10.645 -5.375 -9.548 1.00 0.00 O ATOM 631 CB LYS A 70 -11.881 -3.188 -7.406 1.00 0.00 C ATOM 632 CG LYS A 70 -12.981 -3.253 -6.344 1.00 0.00 C ATOM 633 CD LYS A 70 -14.302 -2.769 -6.946 1.00 0.00 C ATOM 634 CE LYS A 70 -14.511 -1.294 -6.601 1.00 0.00 C ATOM 635 NZ LYS A 70 -14.939 -0.554 -7.822 1.00 0.00 N ATOM 0 H LYS A 70 -10.049 -3.515 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.720 -5.330 -7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.239 -2.325 -7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.322 -3.058 -8.394 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.088 -4.274 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.711 -2.635 -5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.291 -2.902 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.129 -3.364 -6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.265 -1.195 -5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.588 -0.867 -6.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.081 0.449 -7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.205 -0.638 -8.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.830 -0.956 -8.177 1.00 0.00 H new ATOM 649 N LYS A 71 -9.189 -3.908 -8.806 1.00 0.00 N ATOM 650 CA LYS A 71 -8.382 -4.005 -10.055 1.00 0.00 C ATOM 651 C LYS A 71 -7.130 -4.843 -9.790 1.00 0.00 C ATOM 652 O LYS A 71 -6.269 -4.975 -10.637 1.00 0.00 O ATOM 653 CB LYS A 71 -7.967 -2.602 -10.501 1.00 0.00 C ATOM 654 CG LYS A 71 -8.912 -2.114 -11.599 1.00 0.00 C ATOM 655 CD LYS A 71 -8.393 -0.791 -12.165 1.00 0.00 C ATOM 656 CE LYS A 71 -9.057 -0.517 -13.516 1.00 0.00 C ATOM 657 NZ LYS A 71 -8.439 0.688 -14.136 1.00 0.00 N ATOM 0 H LYS A 71 -8.827 -3.261 -8.105 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.977 -4.477 -10.837 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.993 -1.917 -9.653 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.941 -2.615 -10.869 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.982 -2.859 -12.392 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.916 -1.981 -11.197 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.607 0.022 -11.471 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.310 -0.833 -12.282 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.939 -1.379 -14.173 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.128 -0.362 -13.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.889 0.875 -15.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.574 1.508 -13.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.422 0.523 -14.276 1.00 0.00 H new ATOM 671 N CYS A 72 -7.019 -5.408 -8.619 1.00 0.00 N ATOM 672 CA CYS A 72 -5.821 -6.233 -8.299 1.00 0.00 C ATOM 673 C CYS A 72 -5.994 -7.637 -8.881 1.00 0.00 C ATOM 674 O CYS A 72 -5.256 -8.054 -9.751 1.00 0.00 O ATOM 675 CB CYS A 72 -5.662 -6.328 -6.781 1.00 0.00 C ATOM 676 SG CYS A 72 -4.334 -7.492 -6.386 1.00 0.00 S ATOM 0 H CYS A 72 -7.707 -5.334 -7.870 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.935 -5.769 -8.732 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.435 -5.346 -6.366 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -6.596 -6.658 -6.327 1.00 0.00 H new ATOM 0 HG CYS A 72 -4.669 -8.195 -5.345 1.00 0.00 H new ATOM 682 N GLY A 73 -6.961 -8.372 -8.404 1.00 0.00 N ATOM 683 CA GLY A 73 -7.175 -9.750 -8.927 1.00 0.00 C ATOM 684 C GLY A 73 -6.382 -10.742 -8.076 1.00 0.00 C ATOM 685 O GLY A 73 -6.104 -11.850 -8.491 1.00 0.00 O ATOM 0 H GLY A 73 -7.611 -8.078 -7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.236 -10.000 -8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.856 -9.810 -9.968 1.00 0.00 H new ATOM 689 N CYS A 74 -6.014 -10.350 -6.887 1.00 0.00 N ATOM 690 CA CYS A 74 -5.237 -11.265 -6.004 1.00 0.00 C ATOM 691 C CYS A 74 -5.049 -10.608 -4.635 1.00 0.00 C ATOM 692 O CYS A 74 -4.096 -9.888 -4.408 1.00 0.00 O ATOM 693 CB CYS A 74 -3.868 -11.538 -6.631 1.00 0.00 C ATOM 694 SG CYS A 74 -2.825 -12.420 -5.444 1.00 0.00 S ATOM 0 H CYS A 74 -6.218 -9.434 -6.488 1.00 0.00 H new ATOM 0 HA CYS A 74 -5.776 -12.205 -5.887 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -3.984 -12.129 -7.539 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.395 -10.599 -6.920 1.00 0.00 H new ATOM 0 HG CYS A 74 -1.663 -12.654 -5.977 1.00 0.00 H new ATOM 700 N GLY A 75 -5.949 -10.846 -3.722 1.00 0.00 N ATOM 701 CA GLY A 75 -5.821 -10.231 -2.371 1.00 0.00 C ATOM 702 C GLY A 75 -5.150 -11.220 -1.417 1.00 0.00 C ATOM 703 O GLY A 75 -5.160 -12.415 -1.637 1.00 0.00 O ATOM 0 H GLY A 75 -6.768 -11.440 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.234 -9.314 -2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.805 -9.955 -1.992 1.00 0.00 H new ATOM 707 N GLY A 76 -4.568 -10.730 -0.357 1.00 0.00 N ATOM 708 CA GLY A 76 -3.898 -11.640 0.615 1.00 0.00 C ATOM 709 C GLY A 76 -4.587 -11.527 1.975 1.00 0.00 C ATOM 710 O GLY A 76 -5.496 -12.271 2.286 1.00 0.00 O ATOM 0 H GLY A 76 -4.527 -9.738 -0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.942 -12.669 0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.844 -11.379 0.706 1.00 0.00 H new ATOM 714 N ALA A 77 -4.165 -10.599 2.789 1.00 0.00 N ATOM 715 CA ALA A 77 -4.797 -10.435 4.128 1.00 0.00 C ATOM 716 C ALA A 77 -5.073 -8.952 4.378 1.00 0.00 C ATOM 717 O ALA A 77 -4.200 -8.119 4.243 1.00 0.00 O ATOM 718 CB ALA A 77 -3.854 -10.969 5.208 1.00 0.00 C ATOM 0 H ALA A 77 -3.408 -9.946 2.584 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.734 -10.991 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.317 -10.849 6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.656 -12.026 5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.916 -10.414 5.179 1.00 0.00 H new ATOM 724 N VAL A 78 -6.281 -8.612 4.736 1.00 0.00 N ATOM 725 CA VAL A 78 -6.605 -7.180 4.986 1.00 0.00 C ATOM 726 C VAL A 78 -7.266 -7.033 6.359 1.00 0.00 C ATOM 727 O VAL A 78 -8.474 -6.969 6.474 1.00 0.00 O ATOM 728 CB VAL A 78 -7.562 -6.681 3.902 1.00 0.00 C ATOM 729 CG1 VAL A 78 -7.947 -5.228 4.189 1.00 0.00 C ATOM 730 CG2 VAL A 78 -6.872 -6.765 2.539 1.00 0.00 C ATOM 0 H VAL A 78 -7.056 -9.263 4.866 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.688 -6.591 4.964 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.460 -7.299 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.629 -4.873 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.436 -5.166 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.050 -4.608 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.552 -6.410 1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.975 -6.146 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.597 -7.799 2.334 1.00 0.00 H new ATOM 740 N LYS A 79 -6.482 -6.972 7.401 1.00 0.00 N ATOM 741 CA LYS A 79 -7.065 -6.823 8.765 1.00 0.00 C ATOM 742 C LYS A 79 -7.106 -5.339 9.137 1.00 0.00 C ATOM 743 O LYS A 79 -6.351 -4.540 8.620 1.00 0.00 O ATOM 744 CB LYS A 79 -6.200 -7.579 9.775 1.00 0.00 C ATOM 745 CG LYS A 79 -5.988 -9.015 9.291 1.00 0.00 C ATOM 746 CD LYS A 79 -5.656 -9.915 10.483 1.00 0.00 C ATOM 747 CE LYS A 79 -5.294 -11.313 9.979 1.00 0.00 C ATOM 748 NZ LYS A 79 -4.858 -12.159 11.126 1.00 0.00 N ATOM 0 H LYS A 79 -5.464 -7.019 7.367 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.076 -7.231 8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.239 -7.078 9.894 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.681 -7.581 10.753 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.885 -9.376 8.789 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.179 -9.048 8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.825 -9.495 11.050 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.509 -9.970 11.160 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.153 -11.767 9.485 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.498 -11.249 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.612 -13.109 10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.027 -11.728 11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.631 -12.230 11.818 1.00 0.00 H new ATOM 762 N ASP A 80 -7.984 -4.963 10.026 1.00 0.00 N ATOM 763 CA ASP A 80 -8.071 -3.529 10.425 1.00 0.00 C ATOM 764 C ASP A 80 -6.764 -3.104 11.099 1.00 0.00 C ATOM 765 O ASP A 80 -6.500 -3.444 12.235 1.00 0.00 O ATOM 766 CB ASP A 80 -9.234 -3.339 11.402 1.00 0.00 C ATOM 767 CG ASP A 80 -9.034 -4.244 12.619 1.00 0.00 C ATOM 768 OD1 ASP A 80 -9.356 -5.416 12.521 1.00 0.00 O ATOM 769 OD2 ASP A 80 -8.562 -3.748 13.630 1.00 0.00 O ATOM 0 H ASP A 80 -8.644 -5.585 10.493 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.238 -2.917 9.539 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.292 -2.297 11.716 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.178 -3.576 10.911 1.00 0.00 H new ATOM 774 N GLY A 81 -5.945 -2.359 10.407 1.00 0.00 N ATOM 775 CA GLY A 81 -4.657 -1.910 11.007 1.00 0.00 C ATOM 776 C GLY A 81 -3.507 -2.219 10.048 1.00 0.00 C ATOM 777 O GLY A 81 -2.481 -1.569 10.065 1.00 0.00 O ATOM 0 H GLY A 81 -6.113 -2.042 9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.694 -0.840 11.213 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.494 -2.413 11.960 1.00 0.00 H new ATOM 781 N VAL A 82 -3.667 -3.208 9.212 1.00 0.00 N ATOM 782 CA VAL A 82 -2.578 -3.555 8.256 1.00 0.00 C ATOM 783 C VAL A 82 -3.181 -4.140 6.976 1.00 0.00 C ATOM 784 O VAL A 82 -4.242 -4.731 6.992 1.00 0.00 O ATOM 785 CB VAL A 82 -1.649 -4.586 8.897 1.00 0.00 C ATOM 786 CG1 VAL A 82 -0.560 -4.982 7.899 1.00 0.00 C ATOM 787 CG2 VAL A 82 -1.001 -3.982 10.145 1.00 0.00 C ATOM 0 H VAL A 82 -4.503 -3.790 9.150 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.013 -2.656 8.010 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.224 -5.469 9.176 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.102 -5.717 8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.021 -5.412 7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.015 -4.100 7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.338 -4.717 10.603 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.426 -3.099 9.865 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.776 -3.699 10.857 1.00 0.00 H new ATOM 797 N ILE A 83 -2.508 -3.981 5.869 1.00 0.00 N ATOM 798 CA ILE A 83 -3.035 -4.529 4.587 1.00 0.00 C ATOM 799 C ILE A 83 -1.868 -5.037 3.738 1.00 0.00 C ATOM 800 O ILE A 83 -0.971 -4.294 3.395 1.00 0.00 O ATOM 801 CB ILE A 83 -3.776 -3.430 3.826 1.00 0.00 C ATOM 802 CG1 ILE A 83 -4.734 -2.709 4.777 1.00 0.00 C ATOM 803 CG2 ILE A 83 -4.573 -4.052 2.677 1.00 0.00 C ATOM 804 CD1 ILE A 83 -5.531 -1.659 4.000 1.00 0.00 C ATOM 0 H ILE A 83 -1.614 -3.494 5.797 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.721 -5.349 4.796 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.055 -2.718 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.412 -3.426 5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -4.174 -2.233 5.582 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.101 -3.268 2.134 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.892 -4.567 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.294 -4.765 3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.213 -1.145 4.677 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -4.846 -0.936 3.558 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.102 -2.147 3.210 1.00 0.00 H new ATOM 816 N GLU A 84 -1.869 -6.296 3.400 1.00 0.00 N ATOM 817 CA GLU A 84 -0.755 -6.846 2.577 1.00 0.00 C ATOM 818 C GLU A 84 -1.281 -7.236 1.195 1.00 0.00 C ATOM 819 O GLU A 84 -2.274 -7.925 1.068 1.00 0.00 O ATOM 820 CB GLU A 84 -0.173 -8.080 3.268 1.00 0.00 C ATOM 821 CG GLU A 84 1.351 -7.966 3.318 1.00 0.00 C ATOM 822 CD GLU A 84 1.960 -9.349 3.557 1.00 0.00 C ATOM 823 OE1 GLU A 84 1.670 -9.932 4.588 1.00 0.00 O ATOM 824 OE2 GLU A 84 2.706 -9.801 2.704 1.00 0.00 O ATOM 0 H GLU A 84 -2.592 -6.968 3.657 1.00 0.00 H new ATOM 0 HA GLU A 84 0.022 -6.089 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.575 -8.168 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.463 -8.982 2.730 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.726 -7.549 2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.649 -7.283 4.114 1.00 0.00 H new ATOM 831 N ILE A 85 -0.620 -6.802 0.156 1.00 0.00 N ATOM 832 CA ILE A 85 -1.077 -7.148 -1.218 1.00 0.00 C ATOM 833 C ILE A 85 0.082 -7.777 -1.994 1.00 0.00 C ATOM 834 O ILE A 85 1.229 -7.420 -1.811 1.00 0.00 O ATOM 835 CB ILE A 85 -1.544 -5.881 -1.936 1.00 0.00 C ATOM 836 CG1 ILE A 85 -2.811 -5.350 -1.259 1.00 0.00 C ATOM 837 CG2 ILE A 85 -1.847 -6.204 -3.400 1.00 0.00 C ATOM 838 CD1 ILE A 85 -3.972 -6.310 -1.524 1.00 0.00 C ATOM 0 H ILE A 85 0.218 -6.222 0.201 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.904 -7.856 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.759 -5.126 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.647 -5.248 -0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.051 -4.358 -1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.180 -5.300 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.946 -6.583 -3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.631 -6.959 -3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.874 -5.932 -1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.141 -6.389 -2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.730 -7.293 -1.121 1.00 0.00 H new ATOM 850 N GLN A 86 -0.206 -8.711 -2.858 1.00 0.00 N ATOM 851 CA GLN A 86 0.883 -9.360 -3.642 1.00 0.00 C ATOM 852 C GLN A 86 0.951 -8.736 -5.037 1.00 0.00 C ATOM 853 O GLN A 86 0.056 -8.896 -5.843 1.00 0.00 O ATOM 854 CB GLN A 86 0.598 -10.858 -3.766 1.00 0.00 C ATOM 855 CG GLN A 86 1.903 -11.641 -3.608 1.00 0.00 C ATOM 856 CD GLN A 86 2.939 -11.112 -4.601 1.00 0.00 C ATOM 857 OE1 GLN A 86 3.784 -10.314 -4.248 1.00 0.00 O ATOM 858 NE2 GLN A 86 2.908 -11.525 -5.839 1.00 0.00 N ATOM 0 H GLN A 86 -1.147 -9.053 -3.055 1.00 0.00 H new ATOM 0 HA GLN A 86 1.835 -9.212 -3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -0.118 -11.167 -3.005 1.00 0.00 H new ATOM 0 HB3 GLN A 86 0.147 -11.074 -4.734 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.277 -11.543 -2.589 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.726 -12.702 -3.782 1.00 0.00 H new ATOM 0 HE21 GLN A 86 2.198 -12.195 -6.135 1.00 0.00 H new ATOM 0 HE22 GLN A 86 3.593 -11.178 -6.510 1.00 0.00 H new ATOM 867 N GLY A 87 2.006 -8.025 -5.328 1.00 0.00 N ATOM 868 CA GLY A 87 2.131 -7.391 -6.671 1.00 0.00 C ATOM 869 C GLY A 87 3.595 -7.035 -6.934 1.00 0.00 C ATOM 870 O GLY A 87 4.095 -7.196 -8.029 1.00 0.00 O ATOM 0 H GLY A 87 2.787 -7.856 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.767 -8.071 -7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.513 -6.494 -6.720 1.00 0.00 H new ATOM 874 N ASP A 88 4.285 -6.551 -5.938 1.00 0.00 N ATOM 875 CA ASP A 88 5.717 -6.184 -6.132 1.00 0.00 C ATOM 876 C ASP A 88 5.843 -5.233 -7.324 1.00 0.00 C ATOM 877 O ASP A 88 6.502 -5.530 -8.300 1.00 0.00 O ATOM 878 CB ASP A 88 6.536 -7.449 -6.400 1.00 0.00 C ATOM 879 CG ASP A 88 8.026 -7.103 -6.394 1.00 0.00 C ATOM 880 OD1 ASP A 88 8.445 -6.391 -5.496 1.00 0.00 O ATOM 881 OD2 ASP A 88 8.723 -7.556 -7.287 1.00 0.00 O ATOM 0 H ASP A 88 3.920 -6.394 -4.999 1.00 0.00 H new ATOM 0 HA ASP A 88 6.091 -5.692 -5.234 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.323 -8.201 -5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.256 -7.880 -7.361 1.00 0.00 H new ATOM 886 N LYS A 89 5.215 -4.091 -7.252 1.00 0.00 N ATOM 887 CA LYS A 89 5.300 -3.122 -8.380 1.00 0.00 C ATOM 888 C LYS A 89 5.122 -1.700 -7.845 1.00 0.00 C ATOM 889 O LYS A 89 4.154 -1.029 -8.145 1.00 0.00 O ATOM 890 CB LYS A 89 4.198 -3.426 -9.397 1.00 0.00 C ATOM 891 CG LYS A 89 4.819 -4.028 -10.659 1.00 0.00 C ATOM 892 CD LYS A 89 3.710 -4.494 -11.603 1.00 0.00 C ATOM 893 CE LYS A 89 4.313 -4.856 -12.962 1.00 0.00 C ATOM 894 NZ LYS A 89 3.400 -5.791 -13.678 1.00 0.00 N ATOM 0 H LYS A 89 4.647 -3.788 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 89 6.274 -3.210 -8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.475 -4.120 -8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 89 3.656 -2.513 -9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.447 -3.289 -11.156 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.463 -4.867 -10.395 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.197 -5.357 -11.180 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.965 -3.707 -11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.466 -3.955 -13.555 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.291 -5.318 -12.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.810 -6.037 -14.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.276 -6.655 -13.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.477 -5.334 -13.820 1.00 0.00 H new ATOM 908 N ARG A 90 6.049 -1.234 -7.053 1.00 0.00 N ATOM 909 CA ARG A 90 5.933 0.144 -6.499 1.00 0.00 C ATOM 910 C ARG A 90 5.807 1.147 -7.648 1.00 0.00 C ATOM 911 O ARG A 90 5.208 2.195 -7.508 1.00 0.00 O ATOM 912 CB ARG A 90 7.179 0.469 -5.672 1.00 0.00 C ATOM 913 CG ARG A 90 8.421 0.368 -6.559 1.00 0.00 C ATOM 914 CD ARG A 90 9.677 0.418 -5.686 1.00 0.00 C ATOM 915 NE ARG A 90 10.873 0.630 -6.548 1.00 0.00 N ATOM 916 CZ ARG A 90 10.974 0.005 -7.690 1.00 0.00 C ATOM 917 NH1 ARG A 90 10.555 -1.226 -7.798 1.00 0.00 N ATOM 918 NH2 ARG A 90 11.493 0.611 -8.722 1.00 0.00 N ATOM 0 H ARG A 90 6.882 -1.748 -6.766 1.00 0.00 H new ATOM 0 HA ARG A 90 5.050 0.206 -5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.099 1.472 -5.253 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.262 -0.221 -4.833 1.00 0.00 H new ATOM 0 HG2 ARG A 90 8.399 -0.560 -7.130 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.434 1.185 -7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.594 1.224 -4.957 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.780 -0.511 -5.125 1.00 0.00 H new ATOM 0 HE ARG A 90 11.613 1.264 -6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.149 -1.699 -6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.633 -1.715 -8.690 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.820 1.573 -8.637 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.572 0.122 -9.614 1.00 0.00 H new ATOM 932 N ASP A 91 6.369 0.835 -8.784 1.00 0.00 N ATOM 933 CA ASP A 91 6.282 1.771 -9.940 1.00 0.00 C ATOM 934 C ASP A 91 4.813 2.089 -10.229 1.00 0.00 C ATOM 935 O ASP A 91 4.421 3.237 -10.309 1.00 0.00 O ATOM 936 CB ASP A 91 6.915 1.120 -11.171 1.00 0.00 C ATOM 937 CG ASP A 91 7.508 2.203 -12.074 1.00 0.00 C ATOM 938 OD1 ASP A 91 7.680 3.314 -11.599 1.00 0.00 O ATOM 939 OD2 ASP A 91 7.781 1.903 -13.225 1.00 0.00 O ATOM 0 H ASP A 91 6.884 -0.027 -8.961 1.00 0.00 H new ATOM 0 HA ASP A 91 6.813 2.693 -9.703 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.693 0.420 -10.866 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.166 0.546 -11.717 1.00 0.00 H new ATOM 944 N LEU A 92 3.998 1.083 -10.388 1.00 0.00 N ATOM 945 CA LEU A 92 2.557 1.329 -10.672 1.00 0.00 C ATOM 946 C LEU A 92 1.881 1.901 -9.425 1.00 0.00 C ATOM 947 O LEU A 92 1.083 2.814 -9.503 1.00 0.00 O ATOM 948 CB LEU A 92 1.881 0.012 -11.060 1.00 0.00 C ATOM 949 CG LEU A 92 0.372 0.229 -11.182 1.00 0.00 C ATOM 950 CD1 LEU A 92 -0.137 -0.430 -12.465 1.00 0.00 C ATOM 951 CD2 LEU A 92 -0.331 -0.397 -9.975 1.00 0.00 C ATOM 0 H LEU A 92 4.268 0.101 -10.333 1.00 0.00 H new ATOM 0 HA LEU A 92 2.465 2.040 -11.493 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.284 -0.351 -12.005 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.090 -0.751 -10.310 1.00 0.00 H new ATOM 0 HG LEU A 92 0.160 1.298 -11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.212 -0.275 -12.552 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.364 0.014 -13.325 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.074 -1.499 -12.434 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.407 -0.243 -10.060 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.119 -1.466 -9.944 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.031 0.071 -9.060 1.00 0.00 H new ATOM 963 N LEU A 93 2.192 1.372 -8.274 1.00 0.00 N ATOM 964 CA LEU A 93 1.566 1.887 -7.024 1.00 0.00 C ATOM 965 C LEU A 93 1.788 3.398 -6.927 1.00 0.00 C ATOM 966 O LEU A 93 1.023 4.109 -6.307 1.00 0.00 O ATOM 967 CB LEU A 93 2.202 1.199 -5.813 1.00 0.00 C ATOM 968 CG LEU A 93 1.579 -0.185 -5.628 1.00 0.00 C ATOM 969 CD1 LEU A 93 2.665 -1.184 -5.225 1.00 0.00 C ATOM 970 CD2 LEU A 93 0.514 -0.122 -4.531 1.00 0.00 C ATOM 0 H LEU A 93 2.852 0.605 -8.145 1.00 0.00 H new ATOM 0 HA LEU A 93 0.497 1.677 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.279 1.109 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.049 1.801 -4.917 1.00 0.00 H new ATOM 0 HG LEU A 93 1.120 -0.504 -6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.221 -2.171 -5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.425 -1.229 -6.005 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.124 -0.865 -4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.069 -1.108 -4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.974 0.197 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.261 0.590 -4.816 1.00 0.00 H new ATOM 982 N LYS A 94 2.830 3.894 -7.537 1.00 0.00 N ATOM 983 CA LYS A 94 3.098 5.359 -7.481 1.00 0.00 C ATOM 984 C LYS A 94 1.969 6.110 -8.190 1.00 0.00 C ATOM 985 O LYS A 94 1.236 6.865 -7.583 1.00 0.00 O ATOM 986 CB LYS A 94 4.428 5.662 -8.175 1.00 0.00 C ATOM 987 CG LYS A 94 4.686 7.169 -8.148 1.00 0.00 C ATOM 988 CD LYS A 94 6.034 7.469 -8.807 1.00 0.00 C ATOM 989 CE LYS A 94 6.308 8.972 -8.748 1.00 0.00 C ATOM 990 NZ LYS A 94 7.681 9.247 -9.261 1.00 0.00 N ATOM 0 H LYS A 94 3.507 3.349 -8.071 1.00 0.00 H new ATOM 0 HA LYS A 94 3.151 5.680 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.240 5.134 -7.675 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.403 5.305 -9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.888 7.695 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.684 7.531 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.829 6.924 -8.298 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.028 7.130 -9.843 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.571 9.511 -9.344 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.213 9.330 -7.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.868 10.269 -9.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.378 8.744 -8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.756 8.919 -10.245 1.00 0.00 H new ATOM 1004 N SER A 95 1.823 5.908 -9.471 1.00 0.00 N ATOM 1005 CA SER A 95 0.740 6.609 -10.216 1.00 0.00 C ATOM 1006 C SER A 95 -0.620 6.158 -9.681 1.00 0.00 C ATOM 1007 O SER A 95 -1.637 6.765 -9.950 1.00 0.00 O ATOM 1008 CB SER A 95 0.841 6.269 -11.703 1.00 0.00 C ATOM 1009 OG SER A 95 0.404 7.383 -12.470 1.00 0.00 O ATOM 0 H SER A 95 2.406 5.288 -10.033 1.00 0.00 H new ATOM 0 HA SER A 95 0.845 7.686 -10.082 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.869 6.016 -11.961 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.231 5.395 -11.930 1.00 0.00 H new ATOM 0 HG SER A 95 0.469 7.169 -13.424 1.00 0.00 H new ATOM 1015 N LEU A 96 -0.645 5.096 -8.923 1.00 0.00 N ATOM 1016 CA LEU A 96 -1.939 4.605 -8.370 1.00 0.00 C ATOM 1017 C LEU A 96 -2.430 5.571 -7.289 1.00 0.00 C ATOM 1018 O LEU A 96 -3.521 6.100 -7.365 1.00 0.00 O ATOM 1019 CB LEU A 96 -1.738 3.216 -7.760 1.00 0.00 C ATOM 1020 CG LEU A 96 -2.972 2.834 -6.942 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -3.097 1.310 -6.886 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -2.831 3.385 -5.521 1.00 0.00 C ATOM 0 H LEU A 96 0.174 4.547 -8.663 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.678 4.547 -9.169 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.570 2.482 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.852 3.211 -7.125 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.862 3.254 -7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.977 1.038 -6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.196 0.916 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.207 0.889 -6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.710 3.113 -4.937 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.941 2.964 -5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.742 4.471 -5.559 1.00 0.00 H new ATOM 1034 N LEU A 97 -1.632 5.804 -6.283 1.00 0.00 N ATOM 1035 CA LEU A 97 -2.054 6.735 -5.198 1.00 0.00 C ATOM 1036 C LEU A 97 -2.055 8.170 -5.730 1.00 0.00 C ATOM 1037 O LEU A 97 -2.828 9.001 -5.299 1.00 0.00 O ATOM 1038 CB LEU A 97 -1.077 6.627 -4.025 1.00 0.00 C ATOM 1039 CG LEU A 97 -1.859 6.424 -2.727 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -1.965 4.929 -2.422 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -1.131 7.127 -1.579 1.00 0.00 C ATOM 0 H LEU A 97 -0.707 5.390 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.057 6.471 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.392 5.794 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.470 7.530 -3.959 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.859 6.844 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.523 4.785 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.483 4.427 -3.239 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.965 4.508 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.688 6.983 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.131 6.707 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.055 8.193 -1.795 1.00 0.00 H new ATOM 1053 N GLU A 98 -1.195 8.466 -6.666 1.00 0.00 N ATOM 1054 CA GLU A 98 -1.148 9.846 -7.225 1.00 0.00 C ATOM 1055 C GLU A 98 -2.462 10.148 -7.948 1.00 0.00 C ATOM 1056 O GLU A 98 -2.794 11.289 -8.201 1.00 0.00 O ATOM 1057 CB GLU A 98 0.016 9.958 -8.212 1.00 0.00 C ATOM 1058 CG GLU A 98 0.430 11.424 -8.350 1.00 0.00 C ATOM 1059 CD GLU A 98 1.520 11.548 -9.417 1.00 0.00 C ATOM 1060 OE1 GLU A 98 1.954 10.522 -9.915 1.00 0.00 O ATOM 1061 OE2 GLU A 98 1.902 12.667 -9.717 1.00 0.00 O ATOM 0 H GLU A 98 -0.523 7.812 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.006 10.562 -6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.860 9.362 -7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.277 9.559 -9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.432 12.032 -8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.796 11.801 -7.395 1.00 0.00 H new ATOM 1068 N ALA A 99 -3.211 9.134 -8.284 1.00 0.00 N ATOM 1069 CA ALA A 99 -4.503 9.365 -8.991 1.00 0.00 C ATOM 1070 C ALA A 99 -5.461 10.120 -8.069 1.00 0.00 C ATOM 1071 O ALA A 99 -6.214 10.969 -8.502 1.00 0.00 O ATOM 1072 CB ALA A 99 -5.120 8.019 -9.377 1.00 0.00 C ATOM 0 H ALA A 99 -2.985 8.157 -8.100 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.325 9.955 -9.890 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.065 8.187 -9.894 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.437 7.481 -10.034 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.298 7.429 -8.478 1.00 0.00 H new ATOM 1078 N LYS A 100 -5.439 9.818 -6.800 1.00 0.00 N ATOM 1079 CA LYS A 100 -6.350 10.519 -5.851 1.00 0.00 C ATOM 1080 C LYS A 100 -5.731 11.858 -5.446 1.00 0.00 C ATOM 1081 O LYS A 100 -6.422 12.836 -5.240 1.00 0.00 O ATOM 1082 CB LYS A 100 -6.553 9.653 -4.606 1.00 0.00 C ATOM 1083 CG LYS A 100 -7.829 8.824 -4.763 1.00 0.00 C ATOM 1084 CD LYS A 100 -7.698 7.527 -3.961 1.00 0.00 C ATOM 1085 CE LYS A 100 -7.498 7.860 -2.481 1.00 0.00 C ATOM 1086 NZ LYS A 100 -8.669 8.636 -1.984 1.00 0.00 N ATOM 0 H LYS A 100 -4.830 9.116 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.312 10.694 -6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.695 8.996 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.623 10.283 -3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.691 9.394 -4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.001 8.597 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.591 6.916 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.856 6.942 -4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.384 6.943 -1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.583 8.437 -2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.928 8.303 -1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.424 9.646 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.474 8.501 -2.629 1.00 0.00 H new ATOM 1100 N GLY A 101 -4.432 11.911 -5.329 1.00 0.00 N ATOM 1101 CA GLY A 101 -3.770 13.187 -4.937 1.00 0.00 C ATOM 1102 C GLY A 101 -3.250 13.074 -3.503 1.00 0.00 C ATOM 1103 O GLY A 101 -2.966 14.063 -2.856 1.00 0.00 O ATOM 0 H GLY A 101 -3.801 11.126 -5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.947 13.406 -5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.476 14.014 -5.015 1.00 0.00 H new ATOM 1107 N MET A 102 -3.122 11.877 -3.001 1.00 0.00 N ATOM 1108 CA MET A 102 -2.620 11.702 -1.609 1.00 0.00 C ATOM 1109 C MET A 102 -1.098 11.547 -1.632 1.00 0.00 C ATOM 1110 O MET A 102 -0.499 11.355 -2.672 1.00 0.00 O ATOM 1111 CB MET A 102 -3.251 10.452 -0.992 1.00 0.00 C ATOM 1112 CG MET A 102 -4.759 10.463 -1.246 1.00 0.00 C ATOM 1113 SD MET A 102 -5.631 10.025 0.278 1.00 0.00 S ATOM 1114 CE MET A 102 -4.863 8.405 0.521 1.00 0.00 C ATOM 0 H MET A 102 -3.343 11.012 -3.495 1.00 0.00 H new ATOM 0 HA MET A 102 -2.888 12.575 -1.014 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.805 9.556 -1.424 1.00 0.00 H new ATOM 0 HB3 MET A 102 -3.052 10.422 0.079 1.00 0.00 H new ATOM 0 HG2 MET A 102 -5.074 11.449 -1.587 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.010 9.757 -2.037 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.373 7.878 1.327 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.940 7.824 -0.398 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.812 8.536 0.780 1.00 0.00 H new ATOM 1124 N LYS A 103 -0.467 11.627 -0.492 1.00 0.00 N ATOM 1125 CA LYS A 103 1.016 11.484 -0.450 1.00 0.00 C ATOM 1126 C LYS A 103 1.384 9.999 -0.429 1.00 0.00 C ATOM 1127 O LYS A 103 0.592 9.159 -0.051 1.00 0.00 O ATOM 1128 CB LYS A 103 1.558 12.162 0.810 1.00 0.00 C ATOM 1129 CG LYS A 103 2.680 13.129 0.428 1.00 0.00 C ATOM 1130 CD LYS A 103 3.455 13.534 1.684 1.00 0.00 C ATOM 1131 CE LYS A 103 4.385 14.703 1.355 1.00 0.00 C ATOM 1132 NZ LYS A 103 4.097 15.841 2.274 1.00 0.00 N ATOM 0 H LYS A 103 -0.914 11.785 0.411 1.00 0.00 H new ATOM 0 HA LYS A 103 1.452 11.954 -1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.758 12.700 1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.932 11.412 1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.351 12.658 -0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 103 2.264 14.013 -0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.762 13.818 2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 103 4.034 12.688 2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 103 5.425 14.394 1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 103 4.244 15.013 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 4.729 16.636 2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 3.108 16.141 2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 4.252 15.541 3.258 1.00 0.00 H new ATOM 1146 N VAL A 104 2.581 9.670 -0.832 1.00 0.00 N ATOM 1147 CA VAL A 104 2.998 8.239 -0.835 1.00 0.00 C ATOM 1148 C VAL A 104 4.416 8.121 -0.272 1.00 0.00 C ATOM 1149 O VAL A 104 5.344 8.729 -0.767 1.00 0.00 O ATOM 1150 CB VAL A 104 2.972 7.703 -2.267 1.00 0.00 C ATOM 1151 CG1 VAL A 104 3.454 6.252 -2.279 1.00 0.00 C ATOM 1152 CG2 VAL A 104 1.542 7.769 -2.809 1.00 0.00 C ATOM 0 H VAL A 104 3.287 10.329 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 104 2.312 7.659 -0.218 1.00 0.00 H new ATOM 0 HB VAL A 104 3.628 8.308 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.435 5.871 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.472 6.204 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.799 5.646 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.522 7.387 -3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.887 7.164 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.197 8.803 -2.801 1.00 0.00 H new ATOM 1162 N LYS A 105 4.591 7.342 0.760 1.00 0.00 N ATOM 1163 CA LYS A 105 5.949 7.185 1.353 1.00 0.00 C ATOM 1164 C LYS A 105 6.596 5.906 0.816 1.00 0.00 C ATOM 1165 O LYS A 105 6.475 4.847 1.399 1.00 0.00 O ATOM 1166 CB LYS A 105 5.833 7.097 2.876 1.00 0.00 C ATOM 1167 CG LYS A 105 6.415 8.364 3.507 1.00 0.00 C ATOM 1168 CD LYS A 105 7.623 7.996 4.371 1.00 0.00 C ATOM 1169 CE LYS A 105 7.990 9.180 5.267 1.00 0.00 C ATOM 1170 NZ LYS A 105 9.471 9.348 5.288 1.00 0.00 N ATOM 0 H LYS A 105 3.853 6.808 1.218 1.00 0.00 H new ATOM 0 HA LYS A 105 6.564 8.044 1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.789 6.981 3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.365 6.219 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.712 9.067 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.658 8.861 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.394 7.122 4.981 1.00 0.00 H new ATOM 0 HD3 LYS A 105 8.469 7.730 3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.515 10.089 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.618 9.014 6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 9.720 10.153 5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 9.913 8.483 5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 9.814 9.525 4.322 1.00 0.00 H new ATOM 1184 N LEU A 106 7.281 5.997 -0.290 1.00 0.00 N ATOM 1185 CA LEU A 106 7.935 4.786 -0.863 1.00 0.00 C ATOM 1186 C LEU A 106 8.625 4.002 0.255 1.00 0.00 C ATOM 1187 O LEU A 106 8.652 2.787 0.249 1.00 0.00 O ATOM 1188 CB LEU A 106 8.973 5.211 -1.904 1.00 0.00 C ATOM 1189 CG LEU A 106 8.261 5.665 -3.179 1.00 0.00 C ATOM 1190 CD1 LEU A 106 9.207 6.535 -4.009 1.00 0.00 C ATOM 1191 CD2 LEU A 106 7.848 4.439 -3.996 1.00 0.00 C ATOM 0 H LEU A 106 7.416 6.857 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 106 7.182 4.156 -1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.588 6.020 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.643 4.380 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 106 7.375 6.242 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.700 6.859 -4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.503 7.408 -3.427 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.093 5.958 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.340 4.762 -4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.734 3.863 -4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.174 3.818 -3.405 1.00 0.00 H new ATOM 1203 N ALA A 107 9.183 4.687 1.216 1.00 0.00 N ATOM 1204 CA ALA A 107 9.870 3.980 2.333 1.00 0.00 C ATOM 1205 C ALA A 107 11.131 3.294 1.803 1.00 0.00 C ATOM 1206 O ALA A 107 11.126 2.120 1.490 1.00 0.00 O ATOM 1207 CB ALA A 107 8.929 2.929 2.927 1.00 0.00 C ATOM 0 H ALA A 107 9.193 5.705 1.275 1.00 0.00 H new ATOM 0 HA ALA A 107 10.144 4.699 3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.431 2.411 3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.030 3.417 3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.654 2.209 2.156 1.00 0.00 H new ATOM 1213 N GLY A 108 12.212 4.017 1.701 1.00 0.00 N ATOM 1214 CA GLY A 108 13.472 3.406 1.191 1.00 0.00 C ATOM 1215 C GLY A 108 14.618 4.411 1.321 1.00 0.00 C ATOM 1216 O GLY A 108 14.742 5.330 0.536 1.00 0.00 O ATOM 0 H GLY A 108 12.277 5.004 1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 108 13.703 2.501 1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.349 3.111 0.149 1.00 0.00 H new ATOM 1220 N GLY A 109 15.456 4.245 2.308 1.00 0.00 N ATOM 1221 CA GLY A 109 16.593 5.192 2.487 1.00 0.00 C ATOM 1222 C GLY A 109 16.064 6.537 2.990 1.00 0.00 C ATOM 1223 O GLY A 109 14.872 6.746 3.093 1.00 0.00 O ATOM 0 H GLY A 109 15.402 3.495 2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 109 17.312 4.783 3.197 1.00 0.00 H new ATOM 0 HA3 GLY A 109 17.120 5.327 1.542 1.00 0.00 H new ATOM 1227 N LEU A 110 16.942 7.449 3.306 1.00 0.00 N ATOM 1228 CA LEU A 110 16.488 8.779 3.802 1.00 0.00 C ATOM 1229 C LEU A 110 17.502 9.849 3.393 1.00 0.00 C ATOM 1230 O LEU A 110 18.692 9.607 3.351 1.00 0.00 O ATOM 1231 CB LEU A 110 16.374 8.742 5.328 1.00 0.00 C ATOM 1232 CG LEU A 110 17.717 8.328 5.931 1.00 0.00 C ATOM 1233 CD1 LEU A 110 18.368 9.535 6.607 1.00 0.00 C ATOM 1234 CD2 LEU A 110 17.491 7.224 6.967 1.00 0.00 C ATOM 0 H LEU A 110 17.953 7.331 3.242 1.00 0.00 H new ATOM 0 HA LEU A 110 15.516 9.015 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 110 16.081 9.722 5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 110 15.597 8.039 5.628 1.00 0.00 H new ATOM 0 HG LEU A 110 18.371 7.959 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 110 19.325 9.239 7.037 1.00 0.00 H new ATOM 0 HD12 LEU A 110 18.529 10.322 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 110 17.715 9.906 7.397 1.00 0.00 H new ATOM 0 HD21 LEU A 110 18.448 6.928 7.398 1.00 0.00 H new ATOM 0 HD22 LEU A 110 16.837 7.594 7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 110 17.028 6.363 6.486 1.00 0.00 H new ATOM 1246 N GLU A 111 17.040 11.032 3.089 1.00 0.00 N ATOM 1247 CA GLU A 111 17.978 12.116 2.683 1.00 0.00 C ATOM 1248 C GLU A 111 18.554 12.787 3.931 1.00 0.00 C ATOM 1249 O GLU A 111 17.826 12.910 4.903 1.00 0.00 O ATOM 1250 CB GLU A 111 17.227 13.153 1.846 1.00 0.00 C ATOM 1251 CG GLU A 111 18.230 14.001 1.061 1.00 0.00 C ATOM 1252 CD GLU A 111 17.511 15.200 0.440 1.00 0.00 C ATOM 1253 OE1 GLU A 111 16.359 15.415 0.780 1.00 0.00 O ATOM 1254 OE2 GLU A 111 18.124 15.882 -0.364 1.00 0.00 O ATOM 0 H GLU A 111 16.054 11.294 3.104 1.00 0.00 H new ATOM 0 HA GLU A 111 18.790 11.691 2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 111 16.541 12.655 1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 111 16.624 13.790 2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 111 19.027 14.344 1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 111 18.698 13.400 0.281 1.00 0.00 H new TER 1261 GLU A 111