USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=9 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= -0.0308 X(o=-0.031,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.097 K(o=-0.097,f=-1.4) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 41 SER OG : rot -69:sc= 1.17 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 160:sc= -2.39 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0141 USER MOD Single : A 62 THR OG1 : rot 134:sc= -2 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 180:sc= -0.159 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 K(o=0,f=-1.2) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 157:sc= -1.5 (180deg=-1.88) 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 -12.914 18.407 3.326 1.00 0.00 N ATOM 2 CA LYS A 29 -13.603 17.126 3.001 1.00 0.00 C ATOM 3 C LYS A 29 -12.565 16.010 2.862 1.00 0.00 C ATOM 4 O LYS A 29 -11.756 16.011 1.956 1.00 0.00 O ATOM 5 CB LYS A 29 -14.368 17.278 1.685 1.00 0.00 C ATOM 6 CG LYS A 29 -15.567 18.204 1.895 1.00 0.00 C ATOM 7 CD LYS A 29 -16.518 18.088 0.703 1.00 0.00 C ATOM 8 CE LYS A 29 -17.741 18.978 0.936 1.00 0.00 C ATOM 9 NZ LYS A 29 -18.906 18.427 0.187 1.00 0.00 N ATOM 0 HA LYS A 29 -14.301 16.876 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -13.712 17.684 0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.705 16.303 1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.087 17.939 2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.229 19.234 2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.008 18.386 -0.213 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -16.829 17.052 0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -17.970 19.028 2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.532 19.996 0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -19.738 19.031 0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -18.685 18.401 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -19.110 17.464 0.522 1.00 0.00 H new ATOM 22 N GLY A 30 -12.582 15.057 3.753 1.00 0.00 N ATOM 23 CA GLY A 30 -11.597 13.942 3.671 1.00 0.00 C ATOM 24 C GLY A 30 -11.744 13.038 4.896 1.00 0.00 C ATOM 25 O GLY A 30 -12.350 13.406 5.882 1.00 0.00 O ATOM 0 H GLY A 30 -13.235 15.002 4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.759 13.366 2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.584 14.341 3.620 1.00 0.00 H new ATOM 29 N ASP A 31 -11.193 11.856 4.842 1.00 0.00 N ATOM 30 CA ASP A 31 -11.302 10.930 6.004 1.00 0.00 C ATOM 31 C ASP A 31 -10.567 9.626 5.687 1.00 0.00 C ATOM 32 O ASP A 31 -11.155 8.666 5.229 1.00 0.00 O ATOM 33 CB ASP A 31 -12.777 10.630 6.281 1.00 0.00 C ATOM 34 CG ASP A 31 -13.070 10.839 7.768 1.00 0.00 C ATOM 35 OD1 ASP A 31 -12.123 10.931 8.531 1.00 0.00 O ATOM 36 OD2 ASP A 31 -14.237 10.903 8.118 1.00 0.00 O ATOM 0 H ASP A 31 -10.672 11.492 4.044 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.855 11.395 6.883 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.411 11.282 5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.011 9.605 5.994 1.00 0.00 H new ATOM 41 N GLY A 32 -9.285 9.583 5.928 1.00 0.00 N ATOM 42 CA GLY A 32 -8.514 8.340 5.640 1.00 0.00 C ATOM 43 C GLY A 32 -7.151 8.708 5.053 1.00 0.00 C ATOM 44 O GLY A 32 -7.059 9.329 4.013 1.00 0.00 O ATOM 0 H GLY A 32 -8.738 10.354 6.312 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.383 7.761 6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.065 7.712 4.940 1.00 0.00 H new ATOM 48 N VAL A 33 -6.089 8.331 5.712 1.00 0.00 N ATOM 49 CA VAL A 33 -4.733 8.660 5.191 1.00 0.00 C ATOM 50 C VAL A 33 -3.922 7.372 5.031 1.00 0.00 C ATOM 51 O VAL A 33 -3.305 6.895 5.963 1.00 0.00 O ATOM 52 CB VAL A 33 -4.021 9.591 6.174 1.00 0.00 C ATOM 53 CG1 VAL A 33 -2.732 10.115 5.540 1.00 0.00 C ATOM 54 CG2 VAL A 33 -4.937 10.769 6.513 1.00 0.00 C ATOM 0 H VAL A 33 -6.103 7.809 6.588 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.826 9.154 4.224 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.780 9.042 7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.225 10.778 6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.079 9.277 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.972 10.664 4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.431 11.433 7.213 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.177 11.317 5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.856 10.397 6.965 1.00 0.00 H new ATOM 64 N VAL A 34 -3.919 6.804 3.856 1.00 0.00 N ATOM 65 CA VAL A 34 -3.148 5.548 3.637 1.00 0.00 C ATOM 66 C VAL A 34 -1.703 5.893 3.274 1.00 0.00 C ATOM 67 O VAL A 34 -1.397 7.004 2.890 1.00 0.00 O ATOM 68 CB VAL A 34 -3.785 4.751 2.497 1.00 0.00 C ATOM 69 CG1 VAL A 34 -3.115 3.380 2.396 1.00 0.00 C ATOM 70 CG2 VAL A 34 -5.278 4.568 2.776 1.00 0.00 C ATOM 0 H VAL A 34 -4.417 7.156 3.038 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.160 4.951 4.549 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.653 5.290 1.559 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.569 2.812 1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.051 3.509 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.247 2.841 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.733 4.000 1.964 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.409 4.029 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.757 5.544 2.849 1.00 0.00 H new ATOM 80 N ARG A 35 -0.810 4.948 3.391 1.00 0.00 N ATOM 81 CA ARG A 35 0.614 5.222 3.051 1.00 0.00 C ATOM 82 C ARG A 35 1.240 3.972 2.429 1.00 0.00 C ATOM 83 O ARG A 35 0.984 2.862 2.851 1.00 0.00 O ATOM 84 CB ARG A 35 1.379 5.596 4.323 1.00 0.00 C ATOM 85 CG ARG A 35 1.904 7.028 4.201 1.00 0.00 C ATOM 86 CD ARG A 35 2.000 7.657 5.592 1.00 0.00 C ATOM 87 NE ARG A 35 3.298 8.377 5.724 1.00 0.00 N ATOM 88 CZ ARG A 35 4.291 7.821 6.363 1.00 0.00 C ATOM 89 NH1 ARG A 35 4.866 6.756 5.876 1.00 0.00 N ATOM 90 NH2 ARG A 35 4.708 8.330 7.490 1.00 0.00 N ATOM 0 H ARG A 35 -1.006 3.998 3.707 1.00 0.00 H new ATOM 0 HA ARG A 35 0.665 6.046 2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.726 5.510 5.191 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.208 4.905 4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.883 7.028 3.722 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.240 7.617 3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.171 8.348 5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.921 6.885 6.358 1.00 0.00 H new ATOM 0 HE ARG A 35 3.410 9.305 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.540 6.358 4.996 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.642 6.322 6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.258 9.162 7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.484 7.896 7.990 1.00 0.00 H new ATOM 104 N ILE A 36 2.060 4.143 1.428 1.00 0.00 N ATOM 105 CA ILE A 36 2.701 2.965 0.781 1.00 0.00 C ATOM 106 C ILE A 36 4.147 3.307 0.416 1.00 0.00 C ATOM 107 O ILE A 36 4.411 4.266 -0.281 1.00 0.00 O ATOM 108 CB ILE A 36 1.928 2.596 -0.487 1.00 0.00 C ATOM 109 CG1 ILE A 36 0.438 2.476 -0.158 1.00 0.00 C ATOM 110 CG2 ILE A 36 2.439 1.259 -1.026 1.00 0.00 C ATOM 111 CD1 ILE A 36 -0.275 3.775 -0.538 1.00 0.00 C ATOM 0 H ILE A 36 2.313 5.048 1.031 1.00 0.00 H new ATOM 0 HA ILE A 36 2.691 2.121 1.471 1.00 0.00 H new ATOM 0 HB ILE A 36 2.074 3.371 -1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.001 1.637 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.305 2.273 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.888 0.996 -1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.500 1.343 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.293 0.484 -0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.336 3.690 -0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.155 4.604 0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.153 3.958 -1.605 1.00 0.00 H new ATOM 123 N GLN A 37 5.086 2.529 0.881 1.00 0.00 N ATOM 124 CA GLN A 37 6.513 2.811 0.560 1.00 0.00 C ATOM 125 C GLN A 37 7.286 1.493 0.471 1.00 0.00 C ATOM 126 O GLN A 37 7.372 0.747 1.427 1.00 0.00 O ATOM 127 CB GLN A 37 7.121 3.685 1.660 1.00 0.00 C ATOM 128 CG GLN A 37 6.755 3.109 3.029 1.00 0.00 C ATOM 129 CD GLN A 37 7.586 3.800 4.112 1.00 0.00 C ATOM 130 OE1 GLN A 37 7.046 4.430 4.999 1.00 0.00 O ATOM 131 NE2 GLN A 37 8.887 3.707 4.077 1.00 0.00 N ATOM 0 H GLN A 37 4.926 1.711 1.469 1.00 0.00 H new ATOM 0 HA GLN A 37 6.574 3.334 -0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.205 3.727 1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.752 4.707 1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.692 3.253 3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.939 2.035 3.044 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.341 3.178 3.332 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.450 4.163 4.794 1.00 0.00 H new ATOM 140 N ARG A 38 7.849 1.200 -0.669 1.00 0.00 N ATOM 141 CA ARG A 38 8.614 -0.070 -0.817 1.00 0.00 C ATOM 142 C ARG A 38 9.535 -0.253 0.391 1.00 0.00 C ATOM 143 O ARG A 38 10.442 0.523 0.616 1.00 0.00 O ATOM 144 CB ARG A 38 9.454 -0.013 -2.095 1.00 0.00 C ATOM 145 CG ARG A 38 10.355 -1.247 -2.170 1.00 0.00 C ATOM 146 CD ARG A 38 11.810 -0.833 -1.949 1.00 0.00 C ATOM 147 NE ARG A 38 12.358 -0.251 -3.207 1.00 0.00 N ATOM 148 CZ ARG A 38 13.609 0.114 -3.267 1.00 0.00 C ATOM 149 NH1 ARG A 38 14.534 -0.768 -3.528 1.00 0.00 N ATOM 150 NH2 ARG A 38 13.935 1.361 -3.065 1.00 0.00 N ATOM 0 H ARG A 38 7.812 1.785 -1.504 1.00 0.00 H new ATOM 0 HA ARG A 38 7.920 -0.908 -0.876 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.804 0.029 -2.969 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.059 0.893 -2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.055 -1.975 -1.417 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.247 -1.730 -3.141 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.873 -0.104 -1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.403 -1.696 -1.647 1.00 0.00 H new ATOM 0 HE ARG A 38 11.754 -0.138 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.279 -1.743 -3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.512 -0.483 -3.575 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.212 2.050 -2.860 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.913 1.646 -3.112 1.00 0.00 H new ATOM 164 N GLN A 39 9.310 -1.276 1.170 1.00 0.00 N ATOM 165 CA GLN A 39 10.173 -1.507 2.362 1.00 0.00 C ATOM 166 C GLN A 39 11.422 -2.286 1.944 1.00 0.00 C ATOM 167 O GLN A 39 11.337 -3.332 1.331 1.00 0.00 O ATOM 168 CB GLN A 39 9.396 -2.312 3.406 1.00 0.00 C ATOM 169 CG GLN A 39 9.549 -1.652 4.778 1.00 0.00 C ATOM 170 CD GLN A 39 10.871 -2.090 5.410 1.00 0.00 C ATOM 171 OE1 GLN A 39 11.250 -3.241 5.320 1.00 0.00 O ATOM 172 NE2 GLN A 39 11.595 -1.213 6.052 1.00 0.00 N ATOM 0 H GLN A 39 8.567 -1.961 1.032 1.00 0.00 H new ATOM 0 HA GLN A 39 10.468 -0.548 2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.343 -2.363 3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.767 -3.336 3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.524 -0.567 4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.715 -1.931 5.423 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.277 -0.247 6.128 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.478 -1.494 6.478 1.00 0.00 H new ATOM 181 N THR A 40 12.582 -1.786 2.272 1.00 0.00 N ATOM 182 CA THR A 40 13.835 -2.498 1.893 1.00 0.00 C ATOM 183 C THR A 40 14.311 -3.353 3.069 1.00 0.00 C ATOM 184 O THR A 40 13.762 -3.297 4.151 1.00 0.00 O ATOM 185 CB THR A 40 14.915 -1.475 1.535 1.00 0.00 C ATOM 186 OG1 THR A 40 16.089 -2.156 1.114 1.00 0.00 O ATOM 187 CG2 THR A 40 15.233 -0.616 2.759 1.00 0.00 C ATOM 0 H THR A 40 12.716 -0.915 2.786 1.00 0.00 H new ATOM 0 HA THR A 40 13.643 -3.139 1.032 1.00 0.00 H new ATOM 0 HB THR A 40 14.556 -0.835 0.729 1.00 0.00 H new ATOM 0 HG1 THR A 40 16.781 -1.502 0.883 1.00 0.00 H new ATOM 0 HG21 THR A 40 16.002 0.112 2.502 1.00 0.00 H new ATOM 0 HG22 THR A 40 14.332 -0.094 3.081 1.00 0.00 H new ATOM 0 HG23 THR A 40 15.592 -1.253 3.567 1.00 0.00 H new ATOM 195 N SER A 41 15.329 -4.144 2.866 1.00 0.00 N ATOM 196 CA SER A 41 15.839 -5.000 3.974 1.00 0.00 C ATOM 197 C SER A 41 16.848 -6.006 3.417 1.00 0.00 C ATOM 198 O SER A 41 16.524 -7.149 3.160 1.00 0.00 O ATOM 199 CB SER A 41 14.672 -5.752 4.615 1.00 0.00 C ATOM 200 OG SER A 41 15.140 -6.987 5.141 1.00 0.00 O ATOM 0 H SER A 41 15.829 -4.234 1.982 1.00 0.00 H new ATOM 0 HA SER A 41 16.324 -4.374 4.723 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.229 -5.150 5.409 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.890 -5.931 3.877 1.00 0.00 H new ATOM 0 HG SER A 41 15.379 -7.587 4.404 1.00 0.00 H new ATOM 206 N GLY A 42 18.071 -5.591 3.228 1.00 0.00 N ATOM 207 CA GLY A 42 19.100 -6.524 2.688 1.00 0.00 C ATOM 208 C GLY A 42 19.258 -6.296 1.184 1.00 0.00 C ATOM 209 O GLY A 42 18.400 -5.727 0.539 1.00 0.00 O ATOM 0 H GLY A 42 18.402 -4.646 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 42 20.053 -6.363 3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 42 18.807 -7.556 2.881 1.00 0.00 H new ATOM 213 N ARG A 43 20.349 -6.735 0.619 1.00 0.00 N ATOM 214 CA ARG A 43 20.561 -6.543 -0.843 1.00 0.00 C ATOM 215 C ARG A 43 20.792 -7.901 -1.508 1.00 0.00 C ATOM 216 O ARG A 43 21.819 -8.140 -2.112 1.00 0.00 O ATOM 217 CB ARG A 43 21.782 -5.649 -1.069 1.00 0.00 C ATOM 218 CG ARG A 43 23.012 -6.292 -0.424 1.00 0.00 C ATOM 219 CD ARG A 43 24.256 -5.954 -1.248 1.00 0.00 C ATOM 220 NE ARG A 43 25.426 -6.705 -0.713 1.00 0.00 N ATOM 221 CZ ARG A 43 26.530 -6.774 -1.406 1.00 0.00 C ATOM 222 NH1 ARG A 43 27.158 -5.680 -1.742 1.00 0.00 N ATOM 223 NH2 ARG A 43 27.005 -7.935 -1.763 1.00 0.00 N ATOM 0 H ARG A 43 21.103 -7.219 1.107 1.00 0.00 H new ATOM 0 HA ARG A 43 19.680 -6.071 -1.279 1.00 0.00 H new ATOM 0 HB2 ARG A 43 21.950 -5.508 -2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 43 21.608 -4.662 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 43 23.130 -5.931 0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 43 22.883 -7.373 -0.367 1.00 0.00 H new ATOM 0 HD2 ARG A 43 24.093 -6.211 -2.295 1.00 0.00 H new ATOM 0 HD3 ARG A 43 24.450 -4.882 -1.210 1.00 0.00 H new ATOM 0 HE ARG A 43 25.364 -7.165 0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 43 26.786 -4.772 -1.463 1.00 0.00 H new ATOM 0 HH12 ARG A 43 28.021 -5.733 -2.283 1.00 0.00 H new ATOM 0 HH21 ARG A 43 26.514 -8.790 -1.501 1.00 0.00 H new ATOM 0 HH22 ARG A 43 27.868 -7.988 -2.305 1.00 0.00 H new ATOM 237 N LYS A 44 19.846 -8.793 -1.402 1.00 0.00 N ATOM 238 CA LYS A 44 20.012 -10.134 -2.028 1.00 0.00 C ATOM 239 C LYS A 44 18.650 -10.653 -2.493 1.00 0.00 C ATOM 240 O LYS A 44 18.419 -11.843 -2.564 1.00 0.00 O ATOM 241 CB LYS A 44 20.605 -11.105 -1.005 1.00 0.00 C ATOM 242 CG LYS A 44 21.870 -10.496 -0.398 1.00 0.00 C ATOM 243 CD LYS A 44 22.508 -11.497 0.567 1.00 0.00 C ATOM 244 CE LYS A 44 23.753 -10.874 1.201 1.00 0.00 C ATOM 245 NZ LYS A 44 24.490 -11.913 1.974 1.00 0.00 N ATOM 0 H LYS A 44 18.965 -8.651 -0.908 1.00 0.00 H new ATOM 0 HA LYS A 44 20.682 -10.054 -2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 44 19.877 -11.314 -0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 44 20.840 -12.056 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 44 22.575 -10.236 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 44 21.625 -9.573 0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 44 21.794 -11.777 1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.776 -12.410 0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 44 24.397 -10.456 0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 44 23.467 -10.052 1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 25.336 -11.490 2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 23.874 -12.292 2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 24.775 -12.683 1.336 1.00 0.00 H new ATOM 259 N GLY A 45 17.745 -9.767 -2.810 1.00 0.00 N ATOM 260 CA GLY A 45 16.398 -10.210 -3.270 1.00 0.00 C ATOM 261 C GLY A 45 15.552 -8.986 -3.626 1.00 0.00 C ATOM 262 O GLY A 45 16.016 -7.864 -3.581 1.00 0.00 O ATOM 0 H GLY A 45 17.880 -8.757 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.495 -10.863 -4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.907 -10.789 -2.488 1.00 0.00 H new ATOM 266 N LYS A 46 14.313 -9.193 -3.979 1.00 0.00 N ATOM 267 CA LYS A 46 13.439 -8.041 -4.338 1.00 0.00 C ATOM 268 C LYS A 46 12.863 -7.421 -3.063 1.00 0.00 C ATOM 269 O LYS A 46 13.097 -7.897 -1.970 1.00 0.00 O ATOM 270 CB LYS A 46 12.295 -8.527 -5.230 1.00 0.00 C ATOM 271 CG LYS A 46 12.553 -8.093 -6.674 1.00 0.00 C ATOM 272 CD LYS A 46 11.446 -8.638 -7.578 1.00 0.00 C ATOM 273 CE LYS A 46 11.701 -8.198 -9.021 1.00 0.00 C ATOM 274 NZ LYS A 46 10.580 -8.661 -9.887 1.00 0.00 N ATOM 0 H LYS A 46 13.869 -10.109 -4.034 1.00 0.00 H new ATOM 0 HA LYS A 46 14.025 -7.294 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.213 -9.612 -5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.348 -8.117 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.586 -7.005 -6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.523 -8.461 -7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.416 -9.726 -7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.475 -8.274 -7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.789 -7.113 -9.071 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.645 -8.611 -9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.753 -8.362 -10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.516 -9.698 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.688 -8.246 -9.551 1.00 0.00 H new ATOM 288 N GLY A 47 12.111 -6.362 -3.194 1.00 0.00 N ATOM 289 CA GLY A 47 11.521 -5.713 -1.989 1.00 0.00 C ATOM 290 C GLY A 47 10.039 -6.077 -1.886 1.00 0.00 C ATOM 291 O GLY A 47 9.597 -7.076 -2.417 1.00 0.00 O ATOM 0 H GLY A 47 11.880 -5.919 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.049 -6.038 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.637 -4.631 -2.052 1.00 0.00 H new ATOM 295 N VAL A 48 9.268 -5.274 -1.205 1.00 0.00 N ATOM 296 CA VAL A 48 7.815 -5.575 -1.069 1.00 0.00 C ATOM 297 C VAL A 48 7.052 -4.283 -0.773 1.00 0.00 C ATOM 298 O VAL A 48 7.620 -3.301 -0.336 1.00 0.00 O ATOM 299 CB VAL A 48 7.604 -6.565 0.078 1.00 0.00 C ATOM 300 CG1 VAL A 48 8.316 -7.880 -0.244 1.00 0.00 C ATOM 301 CG2 VAL A 48 8.180 -5.977 1.369 1.00 0.00 C ATOM 0 H VAL A 48 9.581 -4.423 -0.737 1.00 0.00 H new ATOM 0 HA VAL A 48 7.446 -6.011 -1.998 1.00 0.00 H new ATOM 0 HB VAL A 48 6.538 -6.752 0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.165 -8.585 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.908 -8.299 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.383 -7.695 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.031 -6.681 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.246 -5.791 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.674 -5.040 1.600 1.00 0.00 H new ATOM 311 N CYS A 49 5.768 -4.273 -1.007 1.00 0.00 N ATOM 312 CA CYS A 49 4.971 -3.043 -0.738 1.00 0.00 C ATOM 313 C CYS A 49 4.339 -3.138 0.652 1.00 0.00 C ATOM 314 O CYS A 49 3.537 -4.010 0.921 1.00 0.00 O ATOM 315 CB CYS A 49 3.869 -2.909 -1.791 1.00 0.00 C ATOM 316 SG CYS A 49 3.802 -1.199 -2.379 1.00 0.00 S ATOM 0 H CYS A 49 5.237 -5.063 -1.373 1.00 0.00 H new ATOM 0 HA CYS A 49 5.623 -2.171 -0.781 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.063 -3.584 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.908 -3.197 -1.365 1.00 0.00 H new ATOM 0 HG CYS A 49 3.200 -1.159 -3.530 1.00 0.00 H new ATOM 322 N LEU A 50 4.693 -2.247 1.537 1.00 0.00 N ATOM 323 CA LEU A 50 4.112 -2.287 2.908 1.00 0.00 C ATOM 324 C LEU A 50 3.048 -1.196 3.043 1.00 0.00 C ATOM 325 O LEU A 50 3.353 -0.044 3.282 1.00 0.00 O ATOM 326 CB LEU A 50 5.219 -2.049 3.938 1.00 0.00 C ATOM 327 CG LEU A 50 4.996 -2.959 5.147 1.00 0.00 C ATOM 328 CD1 LEU A 50 6.284 -3.045 5.966 1.00 0.00 C ATOM 329 CD2 LEU A 50 3.877 -2.383 6.018 1.00 0.00 C ATOM 0 H LEU A 50 5.359 -1.493 1.370 1.00 0.00 H new ATOM 0 HA LEU A 50 3.657 -3.262 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.194 -2.250 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.221 -1.005 4.251 1.00 0.00 H new ATOM 0 HG LEU A 50 4.716 -3.955 4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.125 -3.694 6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.082 -3.454 5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.565 -2.049 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.717 -3.031 6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.158 -1.387 6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.958 -2.321 5.435 1.00 0.00 H new ATOM 341 N ILE A 51 1.801 -1.548 2.891 1.00 0.00 N ATOM 342 CA ILE A 51 0.720 -0.530 3.011 1.00 0.00 C ATOM 343 C ILE A 51 0.150 -0.556 4.430 1.00 0.00 C ATOM 344 O ILE A 51 -0.263 -1.586 4.925 1.00 0.00 O ATOM 345 CB ILE A 51 -0.392 -0.846 2.009 1.00 0.00 C ATOM 346 CG1 ILE A 51 0.121 -0.607 0.587 1.00 0.00 C ATOM 347 CG2 ILE A 51 -1.593 0.062 2.276 1.00 0.00 C ATOM 348 CD1 ILE A 51 0.480 -1.946 -0.059 1.00 0.00 C ATOM 0 H ILE A 51 1.484 -2.496 2.689 1.00 0.00 H new ATOM 0 HA ILE A 51 1.128 0.459 2.801 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.693 -1.888 2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.640 -0.098 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.995 0.044 0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.385 -0.163 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.959 -0.107 3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.292 1.104 2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.845 -1.775 -1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.256 -2.437 0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.405 -2.582 -0.095 1.00 0.00 H new ATOM 360 N THR A 52 0.125 0.569 5.090 1.00 0.00 N ATOM 361 CA THR A 52 -0.419 0.607 6.477 1.00 0.00 C ATOM 362 C THR A 52 -1.186 1.913 6.690 1.00 0.00 C ATOM 363 O THR A 52 -1.708 2.496 5.761 1.00 0.00 O ATOM 364 CB THR A 52 0.735 0.523 7.480 1.00 0.00 C ATOM 365 OG1 THR A 52 1.879 -0.023 6.838 1.00 0.00 O ATOM 366 CG2 THR A 52 0.330 -0.370 8.653 1.00 0.00 C ATOM 0 H THR A 52 0.458 1.463 4.729 1.00 0.00 H new ATOM 0 HA THR A 52 -1.092 -0.237 6.626 1.00 0.00 H new ATOM 0 HB THR A 52 0.968 1.521 7.851 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.619 -0.076 7.478 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.152 -0.429 9.366 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.547 0.051 9.145 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.096 -1.369 8.286 1.00 0.00 H new ATOM 374 N GLY A 53 -1.260 2.377 7.908 1.00 0.00 N ATOM 375 CA GLY A 53 -1.995 3.645 8.179 1.00 0.00 C ATOM 376 C GLY A 53 -3.398 3.560 7.577 1.00 0.00 C ATOM 377 O GLY A 53 -3.826 4.433 6.849 1.00 0.00 O ATOM 0 H GLY A 53 -0.844 1.933 8.726 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.059 3.818 9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.455 4.490 7.751 1.00 0.00 H new ATOM 381 N VAL A 54 -4.120 2.514 7.876 1.00 0.00 N ATOM 382 CA VAL A 54 -5.495 2.375 7.320 1.00 0.00 C ATOM 383 C VAL A 54 -6.513 2.409 8.462 1.00 0.00 C ATOM 384 O VAL A 54 -7.418 1.601 8.524 1.00 0.00 O ATOM 385 CB VAL A 54 -5.611 1.044 6.575 1.00 0.00 C ATOM 386 CG1 VAL A 54 -6.738 1.133 5.544 1.00 0.00 C ATOM 387 CG2 VAL A 54 -4.291 0.744 5.860 1.00 0.00 C ATOM 0 H VAL A 54 -3.817 1.751 8.481 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.693 3.196 6.631 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.830 0.248 7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.821 0.185 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.679 1.349 6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.518 1.929 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.372 -0.204 5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.073 1.541 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.486 0.682 6.593 1.00 0.00 H new ATOM 397 N ASP A 55 -6.374 3.340 9.366 1.00 0.00 N ATOM 398 CA ASP A 55 -7.335 3.425 10.501 1.00 0.00 C ATOM 399 C ASP A 55 -8.760 3.538 9.954 1.00 0.00 C ATOM 400 O ASP A 55 -9.255 4.620 9.706 1.00 0.00 O ATOM 401 CB ASP A 55 -7.016 4.657 11.351 1.00 0.00 C ATOM 402 CG ASP A 55 -7.712 4.537 12.707 1.00 0.00 C ATOM 403 OD1 ASP A 55 -8.243 3.475 12.987 1.00 0.00 O ATOM 404 OD2 ASP A 55 -7.703 5.510 13.444 1.00 0.00 O ATOM 0 H ASP A 55 -5.637 4.045 9.367 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.251 2.529 11.116 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.939 4.746 11.490 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.347 5.560 10.839 1.00 0.00 H new ATOM 409 N LEU A 56 -9.422 2.430 9.762 1.00 0.00 N ATOM 410 CA LEU A 56 -10.812 2.477 9.230 1.00 0.00 C ATOM 411 C LEU A 56 -11.605 1.283 9.766 1.00 0.00 C ATOM 412 O LEU A 56 -11.044 0.275 10.148 1.00 0.00 O ATOM 413 CB LEU A 56 -10.775 2.417 7.701 1.00 0.00 C ATOM 414 CG LEU A 56 -11.285 3.740 7.126 1.00 0.00 C ATOM 415 CD1 LEU A 56 -10.725 3.933 5.716 1.00 0.00 C ATOM 416 CD2 LEU A 56 -12.814 3.713 7.068 1.00 0.00 C ATOM 0 H LEU A 56 -9.060 1.495 9.951 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.290 3.404 9.547 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.758 2.227 7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.391 1.592 7.344 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.959 4.563 7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.088 4.875 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.636 3.951 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.051 3.111 5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.179 4.655 6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.139 2.890 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.214 3.575 8.073 1.00 0.00 H new ATOM 428 N ASP A 57 -12.905 1.388 9.797 1.00 0.00 N ATOM 429 CA ASP A 57 -13.732 0.258 10.307 1.00 0.00 C ATOM 430 C ASP A 57 -13.526 -0.967 9.415 1.00 0.00 C ATOM 431 O ASP A 57 -13.129 -0.855 8.272 1.00 0.00 O ATOM 432 CB ASP A 57 -15.209 0.659 10.290 1.00 0.00 C ATOM 433 CG ASP A 57 -15.749 0.680 11.721 1.00 0.00 C ATOM 434 OD1 ASP A 57 -16.024 -0.387 12.245 1.00 0.00 O ATOM 435 OD2 ASP A 57 -15.878 1.763 12.269 1.00 0.00 O ATOM 0 H ASP A 57 -13.430 2.207 9.491 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.432 0.019 11.327 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.325 1.641 9.832 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.781 -0.044 9.685 1.00 0.00 H new ATOM 440 N ASP A 58 -13.793 -2.138 9.926 1.00 0.00 N ATOM 441 CA ASP A 58 -13.612 -3.368 9.106 1.00 0.00 C ATOM 442 C ASP A 58 -14.435 -3.250 7.822 1.00 0.00 C ATOM 443 O ASP A 58 -15.206 -2.326 7.655 1.00 0.00 O ATOM 444 CB ASP A 58 -14.081 -4.587 9.902 1.00 0.00 C ATOM 445 CG ASP A 58 -12.963 -5.630 9.947 1.00 0.00 C ATOM 446 OD1 ASP A 58 -12.370 -5.879 8.910 1.00 0.00 O ATOM 447 OD2 ASP A 58 -12.718 -6.161 11.017 1.00 0.00 O ATOM 0 H ASP A 58 -14.129 -2.295 10.876 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.558 -3.484 8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.356 -4.290 10.914 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.972 -5.014 9.442 1.00 0.00 H new ATOM 452 N ALA A 59 -14.271 -4.181 6.916 1.00 0.00 N ATOM 453 CA ALA A 59 -15.037 -4.140 5.633 1.00 0.00 C ATOM 454 C ALA A 59 -14.335 -3.210 4.638 1.00 0.00 C ATOM 455 O ALA A 59 -14.208 -3.521 3.470 1.00 0.00 O ATOM 456 CB ALA A 59 -16.460 -3.638 5.888 1.00 0.00 C ATOM 0 H ALA A 59 -13.635 -4.973 7.011 1.00 0.00 H new ATOM 0 HA ALA A 59 -15.082 -5.146 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -17.010 -3.611 4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -16.963 -4.309 6.584 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -16.421 -2.635 6.314 1.00 0.00 H new ATOM 462 N GLU A 60 -13.878 -2.072 5.086 1.00 0.00 N ATOM 463 CA GLU A 60 -13.188 -1.131 4.159 1.00 0.00 C ATOM 464 C GLU A 60 -11.779 -1.648 3.861 1.00 0.00 C ATOM 465 O GLU A 60 -11.449 -1.965 2.736 1.00 0.00 O ATOM 466 CB GLU A 60 -13.098 0.251 4.808 1.00 0.00 C ATOM 467 CG GLU A 60 -13.793 1.281 3.916 1.00 0.00 C ATOM 468 CD GLU A 60 -12.745 2.186 3.267 1.00 0.00 C ATOM 469 OE1 GLU A 60 -11.586 1.802 3.254 1.00 0.00 O ATOM 470 OE2 GLU A 60 -13.117 3.247 2.793 1.00 0.00 O ATOM 0 H GLU A 60 -13.953 -1.754 6.052 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.752 -1.059 3.229 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.565 0.233 5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -12.054 0.528 4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.378 0.776 3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.489 1.878 4.506 1.00 0.00 H new ATOM 477 N LEU A 61 -10.945 -1.736 4.861 1.00 0.00 N ATOM 478 CA LEU A 61 -9.558 -2.232 4.632 1.00 0.00 C ATOM 479 C LEU A 61 -9.612 -3.620 3.990 1.00 0.00 C ATOM 480 O LEU A 61 -8.717 -4.017 3.271 1.00 0.00 O ATOM 481 CB LEU A 61 -8.818 -2.316 5.968 1.00 0.00 C ATOM 482 CG LEU A 61 -9.640 -3.145 6.957 1.00 0.00 C ATOM 483 CD1 LEU A 61 -8.876 -4.422 7.312 1.00 0.00 C ATOM 484 CD2 LEU A 61 -9.882 -2.327 8.228 1.00 0.00 C ATOM 0 H LEU A 61 -11.164 -1.486 5.826 1.00 0.00 H new ATOM 0 HA LEU A 61 -9.032 -1.545 3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.837 -2.769 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.651 -1.315 6.367 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.596 -3.408 6.504 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.462 -5.012 8.017 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.701 -5.005 6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.920 -4.160 7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -10.468 -2.916 8.934 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.925 -2.065 8.680 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -10.426 -1.416 7.977 1.00 0.00 H new ATOM 496 N THR A 62 -10.656 -4.362 4.244 1.00 0.00 N ATOM 497 CA THR A 62 -10.765 -5.723 3.648 1.00 0.00 C ATOM 498 C THR A 62 -11.069 -5.601 2.153 1.00 0.00 C ATOM 499 O THR A 62 -10.641 -6.411 1.355 1.00 0.00 O ATOM 500 CB THR A 62 -11.894 -6.493 4.338 1.00 0.00 C ATOM 501 OG1 THR A 62 -13.097 -5.742 4.253 1.00 0.00 O ATOM 502 CG2 THR A 62 -11.535 -6.722 5.807 1.00 0.00 C ATOM 0 H THR A 62 -11.437 -4.084 4.838 1.00 0.00 H new ATOM 0 HA THR A 62 -9.825 -6.257 3.785 1.00 0.00 H new ATOM 0 HB THR A 62 -12.031 -7.456 3.847 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.831 -6.330 3.978 1.00 0.00 H new ATOM 0 HG21 THR A 62 -12.340 -7.270 6.297 1.00 0.00 H new ATOM 0 HG22 THR A 62 -10.612 -7.298 5.870 1.00 0.00 H new ATOM 0 HG23 THR A 62 -11.397 -5.761 6.302 1.00 0.00 H new ATOM 510 N LYS A 63 -11.806 -4.595 1.768 1.00 0.00 N ATOM 511 CA LYS A 63 -12.136 -4.422 0.326 1.00 0.00 C ATOM 512 C LYS A 63 -10.899 -3.922 -0.424 1.00 0.00 C ATOM 513 O LYS A 63 -10.500 -4.482 -1.426 1.00 0.00 O ATOM 514 CB LYS A 63 -13.266 -3.400 0.181 1.00 0.00 C ATOM 515 CG LYS A 63 -14.590 -4.130 -0.046 1.00 0.00 C ATOM 516 CD LYS A 63 -15.729 -3.111 -0.114 1.00 0.00 C ATOM 517 CE LYS A 63 -17.018 -3.812 -0.548 1.00 0.00 C ATOM 518 NZ LYS A 63 -18.104 -2.804 -0.701 1.00 0.00 N ATOM 0 H LYS A 63 -12.194 -3.886 2.390 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.453 -5.378 -0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.328 -2.782 1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.060 -2.731 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.547 -4.705 -0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.770 -4.839 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.869 -2.641 0.859 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.479 -2.318 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.860 -4.337 -1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.304 -4.561 0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.980 -3.280 -0.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.261 -2.322 0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -17.830 -2.105 -1.421 1.00 0.00 H new ATOM 532 N LEU A 64 -10.290 -2.872 0.054 1.00 0.00 N ATOM 533 CA LEU A 64 -9.080 -2.336 -0.630 1.00 0.00 C ATOM 534 C LEU A 64 -8.021 -3.437 -0.734 1.00 0.00 C ATOM 535 O LEU A 64 -7.451 -3.666 -1.781 1.00 0.00 O ATOM 536 CB LEU A 64 -8.517 -1.164 0.178 1.00 0.00 C ATOM 537 CG LEU A 64 -8.753 0.143 -0.582 1.00 0.00 C ATOM 538 CD1 LEU A 64 -7.998 0.104 -1.912 1.00 0.00 C ATOM 539 CD2 LEU A 64 -10.250 0.312 -0.852 1.00 0.00 C ATOM 0 H LEU A 64 -10.578 -2.362 0.889 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.349 -1.995 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.996 -1.120 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.451 -1.308 0.352 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.393 0.980 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.166 1.035 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.932 -0.018 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.358 -0.733 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.419 1.243 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.609 -0.526 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.790 0.340 0.095 1.00 0.00 H new ATOM 551 N ALA A 65 -7.754 -4.118 0.347 1.00 0.00 N ATOM 552 CA ALA A 65 -6.731 -5.201 0.312 1.00 0.00 C ATOM 553 C ALA A 65 -7.136 -6.260 -0.717 1.00 0.00 C ATOM 554 O ALA A 65 -6.431 -6.510 -1.674 1.00 0.00 O ATOM 555 CB ALA A 65 -6.629 -5.849 1.695 1.00 0.00 C ATOM 0 H ALA A 65 -8.200 -3.971 1.252 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.766 -4.777 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.881 -6.642 1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.338 -5.097 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.595 -6.270 1.972 1.00 0.00 H new ATOM 561 N ALA A 66 -8.265 -6.885 -0.525 1.00 0.00 N ATOM 562 CA ALA A 66 -8.715 -7.930 -1.488 1.00 0.00 C ATOM 563 C ALA A 66 -8.476 -7.449 -2.921 1.00 0.00 C ATOM 564 O ALA A 66 -8.061 -8.203 -3.777 1.00 0.00 O ATOM 565 CB ALA A 66 -10.207 -8.200 -1.285 1.00 0.00 C ATOM 0 H ALA A 66 -8.896 -6.717 0.258 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.150 -8.846 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.538 -8.964 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.379 -8.547 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.769 -7.282 -1.456 1.00 0.00 H new ATOM 571 N GLU A 67 -8.738 -6.199 -3.190 1.00 0.00 N ATOM 572 CA GLU A 67 -8.528 -5.676 -4.570 1.00 0.00 C ATOM 573 C GLU A 67 -7.054 -5.820 -4.953 1.00 0.00 C ATOM 574 O GLU A 67 -6.722 -6.366 -5.987 1.00 0.00 O ATOM 575 CB GLU A 67 -8.926 -4.200 -4.622 1.00 0.00 C ATOM 576 CG GLU A 67 -9.737 -3.935 -5.893 1.00 0.00 C ATOM 577 CD GLU A 67 -10.287 -2.508 -5.860 1.00 0.00 C ATOM 578 OE1 GLU A 67 -9.723 -1.693 -5.149 1.00 0.00 O ATOM 579 OE2 GLU A 67 -11.263 -2.254 -6.547 1.00 0.00 O ATOM 0 H GLU A 67 -9.088 -5.519 -2.515 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.142 -6.243 -5.270 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.514 -3.940 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.036 -3.571 -4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.109 -4.074 -6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.556 -4.650 -5.970 1.00 0.00 H new ATOM 586 N LEU A 68 -6.166 -5.333 -4.130 1.00 0.00 N ATOM 587 CA LEU A 68 -4.714 -5.440 -4.449 1.00 0.00 C ATOM 588 C LEU A 68 -4.319 -6.914 -4.561 1.00 0.00 C ATOM 589 O LEU A 68 -3.325 -7.255 -5.171 1.00 0.00 O ATOM 590 CB LEU A 68 -3.898 -4.779 -3.336 1.00 0.00 C ATOM 591 CG LEU A 68 -4.104 -3.265 -3.381 1.00 0.00 C ATOM 592 CD1 LEU A 68 -4.668 -2.787 -2.042 1.00 0.00 C ATOM 593 CD2 LEU A 68 -2.763 -2.577 -3.644 1.00 0.00 C ATOM 0 H LEU A 68 -6.383 -4.865 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.515 -4.939 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.204 -5.169 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.841 -5.016 -3.456 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.804 -3.016 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.815 -1.707 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.623 -3.278 -1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.969 -3.035 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.908 -1.497 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.064 -2.825 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.360 -2.918 -4.598 1.00 0.00 H new ATOM 605 N LYS A 69 -5.087 -7.792 -3.976 1.00 0.00 N ATOM 606 CA LYS A 69 -4.749 -9.242 -4.049 1.00 0.00 C ATOM 607 C LYS A 69 -4.858 -9.719 -5.499 1.00 0.00 C ATOM 608 O LYS A 69 -4.049 -10.492 -5.969 1.00 0.00 O ATOM 609 CB LYS A 69 -5.719 -10.038 -3.173 1.00 0.00 C ATOM 610 CG LYS A 69 -4.953 -11.139 -2.436 1.00 0.00 C ATOM 611 CD LYS A 69 -5.486 -11.262 -1.006 1.00 0.00 C ATOM 612 CE LYS A 69 -5.865 -12.718 -0.727 1.00 0.00 C ATOM 613 NZ LYS A 69 -6.381 -12.840 0.666 1.00 0.00 N ATOM 0 H LYS A 69 -5.933 -7.569 -3.451 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.731 -9.396 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.206 -9.376 -2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.505 -10.476 -3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.065 -12.088 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.888 -10.908 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.730 -10.929 -0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.355 -10.617 -0.873 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.623 -13.050 -1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.997 -13.363 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.639 -13.830 0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.645 -12.539 1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.220 -12.236 0.780 1.00 0.00 H new ATOM 627 N LYS A 70 -5.852 -9.264 -6.212 1.00 0.00 N ATOM 628 CA LYS A 70 -6.011 -9.692 -7.631 1.00 0.00 C ATOM 629 C LYS A 70 -4.882 -9.092 -8.474 1.00 0.00 C ATOM 630 O LYS A 70 -4.546 -9.594 -9.528 1.00 0.00 O ATOM 631 CB LYS A 70 -7.356 -9.194 -8.167 1.00 0.00 C ATOM 632 CG LYS A 70 -8.456 -10.200 -7.824 1.00 0.00 C ATOM 633 CD LYS A 70 -9.818 -9.596 -8.171 1.00 0.00 C ATOM 634 CE LYS A 70 -10.917 -10.630 -7.920 1.00 0.00 C ATOM 635 NZ LYS A 70 -12.052 -10.385 -8.855 1.00 0.00 N ATOM 0 H LYS A 70 -6.561 -8.614 -5.873 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.974 -10.780 -7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.592 -8.222 -7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.299 -9.058 -9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.304 -11.126 -8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.416 -10.453 -6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.997 -8.706 -7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.832 -9.281 -9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.524 -11.636 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.262 -10.567 -6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.800 -11.088 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.432 -9.430 -8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.717 -10.466 -9.836 1.00 0.00 H new ATOM 649 N LYS A 71 -4.302 -8.017 -8.018 1.00 0.00 N ATOM 650 CA LYS A 71 -3.202 -7.371 -8.789 1.00 0.00 C ATOM 651 C LYS A 71 -1.999 -8.315 -8.878 1.00 0.00 C ATOM 652 O LYS A 71 -1.235 -8.273 -9.821 1.00 0.00 O ATOM 653 CB LYS A 71 -2.788 -6.078 -8.084 1.00 0.00 C ATOM 654 CG LYS A 71 -3.964 -5.100 -8.086 1.00 0.00 C ATOM 655 CD LYS A 71 -3.452 -3.678 -7.844 1.00 0.00 C ATOM 656 CE LYS A 71 -3.463 -2.903 -9.162 1.00 0.00 C ATOM 657 NZ LYS A 71 -3.134 -1.473 -8.901 1.00 0.00 N ATOM 0 H LYS A 71 -4.543 -7.556 -7.141 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.551 -7.147 -9.797 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.480 -6.291 -7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.930 -5.634 -8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.490 -5.150 -9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.680 -5.376 -7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.079 -3.174 -7.108 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.442 -3.708 -7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.740 -3.333 -9.855 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.442 -2.982 -9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.141 -0.946 -9.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.840 -1.067 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.190 -1.407 -8.469 1.00 0.00 H new ATOM 671 N CYS A 72 -1.820 -9.165 -7.904 1.00 0.00 N ATOM 672 CA CYS A 72 -0.662 -10.103 -7.941 1.00 0.00 C ATOM 673 C CYS A 72 -1.124 -11.472 -8.444 1.00 0.00 C ATOM 674 O CYS A 72 -0.466 -12.104 -9.246 1.00 0.00 O ATOM 675 CB CYS A 72 -0.076 -10.246 -6.535 1.00 0.00 C ATOM 676 SG CYS A 72 1.357 -9.153 -6.366 1.00 0.00 S ATOM 0 H CYS A 72 -2.424 -9.251 -7.086 1.00 0.00 H new ATOM 0 HA CYS A 72 0.100 -9.710 -8.614 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.829 -9.995 -5.788 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.218 -11.280 -6.355 1.00 0.00 H new ATOM 0 HG CYS A 72 1.855 -9.272 -5.171 1.00 0.00 H new ATOM 682 N GLY A 73 -2.249 -11.936 -7.977 1.00 0.00 N ATOM 683 CA GLY A 73 -2.751 -13.265 -8.426 1.00 0.00 C ATOM 684 C GLY A 73 -2.492 -14.304 -7.333 1.00 0.00 C ATOM 685 O GLY A 73 -3.144 -15.327 -7.270 1.00 0.00 O ATOM 0 H GLY A 73 -2.843 -11.452 -7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.818 -13.208 -8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.253 -13.561 -9.349 1.00 0.00 H new ATOM 689 N CYS A 74 -1.545 -14.049 -6.470 1.00 0.00 N ATOM 690 CA CYS A 74 -1.246 -15.021 -5.380 1.00 0.00 C ATOM 691 C CYS A 74 -0.003 -14.563 -4.614 1.00 0.00 C ATOM 692 O CYS A 74 1.111 -14.700 -5.081 1.00 0.00 O ATOM 693 CB CYS A 74 -0.988 -16.403 -5.984 1.00 0.00 C ATOM 694 SG CYS A 74 -0.419 -17.531 -4.687 1.00 0.00 S ATOM 0 H CYS A 74 -0.966 -13.209 -6.473 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.096 -15.073 -4.699 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.899 -16.788 -6.441 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.240 -16.333 -6.774 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.201 -18.706 -5.199 1.00 0.00 H new ATOM 700 N GLY A 75 -0.182 -14.021 -3.441 1.00 0.00 N ATOM 701 CA GLY A 75 0.993 -13.557 -2.649 1.00 0.00 C ATOM 702 C GLY A 75 0.557 -12.459 -1.677 1.00 0.00 C ATOM 703 O GLY A 75 0.670 -12.601 -0.476 1.00 0.00 O ATOM 0 H GLY A 75 -1.089 -13.879 -2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.426 -14.392 -2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.768 -13.179 -3.316 1.00 0.00 H new ATOM 707 N GLY A 76 0.063 -11.363 -2.184 1.00 0.00 N ATOM 708 CA GLY A 76 -0.375 -10.258 -1.284 1.00 0.00 C ATOM 709 C GLY A 76 -1.240 -10.826 -0.157 1.00 0.00 C ATOM 710 O GLY A 76 -2.282 -11.405 -0.392 1.00 0.00 O ATOM 0 H GLY A 76 -0.056 -11.185 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.494 -9.749 -0.868 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.938 -9.516 -1.850 1.00 0.00 H new ATOM 714 N ALA A 77 -0.818 -10.661 1.067 1.00 0.00 N ATOM 715 CA ALA A 77 -1.619 -11.189 2.206 1.00 0.00 C ATOM 716 C ALA A 77 -2.217 -10.017 2.988 1.00 0.00 C ATOM 717 O ALA A 77 -1.656 -8.940 3.034 1.00 0.00 O ATOM 718 CB ALA A 77 -0.719 -12.014 3.128 1.00 0.00 C ATOM 0 H ALA A 77 0.045 -10.184 1.327 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.421 -11.822 1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.307 -12.399 3.961 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.292 -12.847 2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.084 -11.384 3.511 1.00 0.00 H new ATOM 724 N VAL A 78 -3.353 -10.215 3.598 1.00 0.00 N ATOM 725 CA VAL A 78 -3.983 -9.107 4.370 1.00 0.00 C ATOM 726 C VAL A 78 -3.745 -9.320 5.866 1.00 0.00 C ATOM 727 O VAL A 78 -3.596 -10.432 6.331 1.00 0.00 O ATOM 728 CB VAL A 78 -5.487 -9.085 4.093 1.00 0.00 C ATOM 729 CG1 VAL A 78 -6.118 -7.883 4.796 1.00 0.00 C ATOM 730 CG2 VAL A 78 -5.725 -8.973 2.585 1.00 0.00 C ATOM 0 H VAL A 78 -3.871 -11.094 3.595 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.541 -8.158 4.065 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.938 -10.004 4.467 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.190 -7.867 4.599 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.948 -7.959 5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.667 -6.964 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.797 -8.957 2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.273 -8.054 2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.275 -9.828 2.081 1.00 0.00 H new ATOM 740 N LYS A 79 -3.711 -8.258 6.623 1.00 0.00 N ATOM 741 CA LYS A 79 -3.486 -8.391 8.089 1.00 0.00 C ATOM 742 C LYS A 79 -4.412 -7.425 8.831 1.00 0.00 C ATOM 743 O LYS A 79 -4.792 -6.393 8.314 1.00 0.00 O ATOM 744 CB LYS A 79 -2.028 -8.058 8.415 1.00 0.00 C ATOM 745 CG LYS A 79 -1.352 -9.281 9.040 1.00 0.00 C ATOM 746 CD LYS A 79 -0.410 -8.830 10.159 1.00 0.00 C ATOM 747 CE LYS A 79 0.973 -8.536 9.575 1.00 0.00 C ATOM 748 NZ LYS A 79 2.023 -9.043 10.504 1.00 0.00 N ATOM 0 H LYS A 79 -3.830 -7.302 6.288 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.700 -9.413 8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.500 -7.761 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.982 -7.213 9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.105 -9.962 9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.795 -9.829 8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.807 -7.940 10.646 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.337 -9.605 10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.076 -9.011 8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.095 -7.464 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.963 -8.843 10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.929 -8.571 11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.911 -10.069 10.628 1.00 0.00 H new ATOM 762 N ASP A 80 -4.780 -7.752 10.039 1.00 0.00 N ATOM 763 CA ASP A 80 -5.685 -6.853 10.811 1.00 0.00 C ATOM 764 C ASP A 80 -4.934 -5.578 11.199 1.00 0.00 C ATOM 765 O ASP A 80 -4.306 -5.507 12.237 1.00 0.00 O ATOM 766 CB ASP A 80 -6.159 -7.571 12.077 1.00 0.00 C ATOM 767 CG ASP A 80 -6.889 -8.859 11.689 1.00 0.00 C ATOM 768 OD1 ASP A 80 -6.474 -9.484 10.727 1.00 0.00 O ATOM 769 OD2 ASP A 80 -7.850 -9.197 12.360 1.00 0.00 O ATOM 0 H ASP A 80 -4.494 -8.602 10.525 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.546 -6.592 10.196 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.308 -7.801 12.718 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.822 -6.922 12.649 1.00 0.00 H new ATOM 774 N GLY A 81 -4.997 -4.568 10.375 1.00 0.00 N ATOM 775 CA GLY A 81 -4.291 -3.296 10.700 1.00 0.00 C ATOM 776 C GLY A 81 -3.089 -3.119 9.770 1.00 0.00 C ATOM 777 O GLY A 81 -2.455 -2.082 9.751 1.00 0.00 O ATOM 0 H GLY A 81 -5.506 -4.568 9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.973 -2.453 10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.960 -3.308 11.739 1.00 0.00 H new ATOM 781 N VAL A 82 -2.767 -4.121 8.998 1.00 0.00 N ATOM 782 CA VAL A 82 -1.604 -4.003 8.073 1.00 0.00 C ATOM 783 C VAL A 82 -1.924 -4.710 6.755 1.00 0.00 C ATOM 784 O VAL A 82 -2.713 -5.633 6.710 1.00 0.00 O ATOM 785 CB VAL A 82 -0.375 -4.651 8.713 1.00 0.00 C ATOM 786 CG1 VAL A 82 0.779 -4.661 7.709 1.00 0.00 C ATOM 787 CG2 VAL A 82 0.035 -3.849 9.951 1.00 0.00 C ATOM 0 H VAL A 82 -3.258 -5.015 8.968 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.401 -2.950 7.880 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.613 -5.675 9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.654 -5.123 8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.488 -5.230 6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.018 -3.638 7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.911 -4.309 10.409 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.273 -2.826 9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.787 -3.840 10.667 1.00 0.00 H new ATOM 797 N ILE A 83 -1.317 -4.285 5.682 1.00 0.00 N ATOM 798 CA ILE A 83 -1.585 -4.934 4.367 1.00 0.00 C ATOM 799 C ILE A 83 -0.262 -5.136 3.626 1.00 0.00 C ATOM 800 O ILE A 83 0.527 -4.222 3.485 1.00 0.00 O ATOM 801 CB ILE A 83 -2.510 -4.044 3.531 1.00 0.00 C ATOM 802 CG1 ILE A 83 -3.423 -3.235 4.458 1.00 0.00 C ATOM 803 CG2 ILE A 83 -3.367 -4.919 2.615 1.00 0.00 C ATOM 804 CD1 ILE A 83 -4.403 -4.177 5.160 1.00 0.00 C ATOM 0 H ILE A 83 -0.647 -3.516 5.658 1.00 0.00 H new ATOM 0 HA ILE A 83 -2.066 -5.899 4.528 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.908 -3.363 2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.826 -2.699 5.196 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.970 -2.486 3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.026 -4.287 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.721 -5.495 1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.966 -5.600 3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.052 -3.601 5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.008 -4.693 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.847 -4.909 5.747 1.00 0.00 H new ATOM 816 N GLU A 84 -0.010 -6.326 3.153 1.00 0.00 N ATOM 817 CA GLU A 84 1.265 -6.583 2.425 1.00 0.00 C ATOM 818 C GLU A 84 0.961 -6.985 0.981 1.00 0.00 C ATOM 819 O GLU A 84 0.212 -7.908 0.728 1.00 0.00 O ATOM 820 CB GLU A 84 2.029 -7.713 3.119 1.00 0.00 C ATOM 821 CG GLU A 84 3.352 -7.175 3.666 1.00 0.00 C ATOM 822 CD GLU A 84 3.889 -8.128 4.736 1.00 0.00 C ATOM 823 OE1 GLU A 84 3.489 -9.281 4.730 1.00 0.00 O ATOM 824 OE2 GLU A 84 4.690 -7.689 5.544 1.00 0.00 O ATOM 0 H GLU A 84 -0.631 -7.131 3.239 1.00 0.00 H new ATOM 0 HA GLU A 84 1.871 -5.677 2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.430 -8.127 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.217 -8.524 2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.077 -7.073 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.205 -6.182 4.090 1.00 0.00 H new ATOM 831 N ILE A 85 1.537 -6.300 0.031 1.00 0.00 N ATOM 832 CA ILE A 85 1.283 -6.643 -1.396 1.00 0.00 C ATOM 833 C ILE A 85 2.600 -6.591 -2.174 1.00 0.00 C ATOM 834 O ILE A 85 3.221 -5.553 -2.292 1.00 0.00 O ATOM 835 CB ILE A 85 0.296 -5.640 -1.996 1.00 0.00 C ATOM 836 CG1 ILE A 85 -0.925 -5.519 -1.081 1.00 0.00 C ATOM 837 CG2 ILE A 85 -0.149 -6.125 -3.377 1.00 0.00 C ATOM 838 CD1 ILE A 85 -1.739 -6.813 -1.142 1.00 0.00 C ATOM 0 H ILE A 85 2.173 -5.517 0.182 1.00 0.00 H new ATOM 0 HA ILE A 85 0.862 -7.647 -1.459 1.00 0.00 H new ATOM 0 HB ILE A 85 0.779 -4.667 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.607 -5.325 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.541 -4.674 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.852 -5.410 -3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.720 -6.213 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.632 -7.097 -3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.609 -6.727 -0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.069 -6.987 -2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.120 -7.648 -0.813 1.00 0.00 H new ATOM 850 N GLN A 86 3.032 -7.702 -2.704 1.00 0.00 N ATOM 851 CA GLN A 86 4.308 -7.714 -3.472 1.00 0.00 C ATOM 852 C GLN A 86 4.121 -6.953 -4.786 1.00 0.00 C ATOM 853 O GLN A 86 3.019 -6.797 -5.273 1.00 0.00 O ATOM 854 CB GLN A 86 4.710 -9.160 -3.773 1.00 0.00 C ATOM 855 CG GLN A 86 5.390 -9.766 -2.543 1.00 0.00 C ATOM 856 CD GLN A 86 5.834 -11.196 -2.857 1.00 0.00 C ATOM 857 OE1 GLN A 86 5.300 -11.829 -3.746 1.00 0.00 O ATOM 858 NE2 GLN A 86 6.796 -11.735 -2.160 1.00 0.00 N ATOM 0 H GLN A 86 2.556 -8.602 -2.638 1.00 0.00 H new ATOM 0 HA GLN A 86 5.090 -7.235 -2.883 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.830 -9.745 -4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.386 -9.191 -4.628 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.250 -9.162 -2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.703 -9.765 -1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.244 -11.204 -1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.100 -12.688 -2.361 1.00 0.00 H new ATOM 867 N GLY A 87 5.190 -6.477 -5.363 1.00 0.00 N ATOM 868 CA GLY A 87 5.074 -5.725 -6.644 1.00 0.00 C ATOM 869 C GLY A 87 6.178 -4.669 -6.718 1.00 0.00 C ATOM 870 O GLY A 87 6.759 -4.435 -7.759 1.00 0.00 O ATOM 0 H GLY A 87 6.139 -6.576 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.154 -6.410 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.096 -5.249 -6.711 1.00 0.00 H new ATOM 874 N ASP A 88 6.474 -4.029 -5.619 1.00 0.00 N ATOM 875 CA ASP A 88 7.541 -2.989 -5.626 1.00 0.00 C ATOM 876 C ASP A 88 7.197 -1.913 -6.658 1.00 0.00 C ATOM 877 O ASP A 88 7.986 -1.597 -7.526 1.00 0.00 O ATOM 878 CB ASP A 88 8.880 -3.635 -5.990 1.00 0.00 C ATOM 879 CG ASP A 88 10.024 -2.736 -5.519 1.00 0.00 C ATOM 880 OD1 ASP A 88 9.786 -1.554 -5.334 1.00 0.00 O ATOM 881 OD2 ASP A 88 11.121 -3.244 -5.351 1.00 0.00 O ATOM 0 H ASP A 88 6.023 -4.182 -4.717 1.00 0.00 H new ATOM 0 HA ASP A 88 7.613 -2.535 -4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.960 -4.618 -5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.942 -3.786 -7.068 1.00 0.00 H new ATOM 886 N LYS A 89 6.024 -1.346 -6.570 1.00 0.00 N ATOM 887 CA LYS A 89 5.632 -0.291 -7.546 1.00 0.00 C ATOM 888 C LYS A 89 4.987 0.879 -6.800 1.00 0.00 C ATOM 889 O LYS A 89 3.884 1.289 -7.103 1.00 0.00 O ATOM 890 CB LYS A 89 4.633 -0.870 -8.549 1.00 0.00 C ATOM 891 CG LYS A 89 5.297 -1.999 -9.339 1.00 0.00 C ATOM 892 CD LYS A 89 4.856 -1.927 -10.802 1.00 0.00 C ATOM 893 CE LYS A 89 5.738 -2.848 -11.647 1.00 0.00 C ATOM 894 NZ LYS A 89 4.963 -3.335 -12.824 1.00 0.00 N ATOM 0 H LYS A 89 5.321 -1.568 -5.865 1.00 0.00 H new ATOM 0 HA LYS A 89 6.517 0.060 -8.077 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.754 -1.246 -8.026 1.00 0.00 H new ATOM 0 HB3 LYS A 89 4.290 -0.090 -9.228 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.382 -1.916 -9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.024 -2.964 -8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.811 -2.223 -10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.930 -0.902 -11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.627 -2.313 -11.980 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.079 -3.692 -11.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.562 -3.961 -13.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.127 -3.860 -12.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.658 -2.524 -13.399 1.00 0.00 H new ATOM 908 N ARG A 90 5.667 1.421 -5.826 1.00 0.00 N ATOM 909 CA ARG A 90 5.092 2.565 -5.063 1.00 0.00 C ATOM 910 C ARG A 90 4.530 3.600 -6.039 1.00 0.00 C ATOM 911 O ARG A 90 3.620 4.339 -5.720 1.00 0.00 O ATOM 912 CB ARG A 90 6.187 3.210 -4.210 1.00 0.00 C ATOM 913 CG ARG A 90 7.189 3.922 -5.121 1.00 0.00 C ATOM 914 CD ARG A 90 8.221 4.660 -4.266 1.00 0.00 C ATOM 915 NE ARG A 90 9.255 5.267 -5.150 1.00 0.00 N ATOM 916 CZ ARG A 90 10.177 6.038 -4.642 1.00 0.00 C ATOM 917 NH1 ARG A 90 10.467 5.959 -3.372 1.00 0.00 N ATOM 918 NH2 ARG A 90 10.809 6.889 -5.404 1.00 0.00 N ATOM 0 H ARG A 90 6.595 1.121 -5.526 1.00 0.00 H new ATOM 0 HA ARG A 90 4.292 2.205 -4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.747 3.920 -3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.695 2.450 -3.616 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.687 3.199 -5.767 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.669 4.626 -5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.732 5.435 -3.675 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.688 3.970 -3.563 1.00 0.00 H new ATOM 0 HE ARG A 90 9.242 5.080 -6.153 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.973 5.294 -2.776 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.188 6.562 -2.975 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.582 6.951 -6.396 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.530 7.492 -5.007 1.00 0.00 H new ATOM 932 N ASP A 91 5.065 3.659 -7.228 1.00 0.00 N ATOM 933 CA ASP A 91 4.562 4.647 -8.224 1.00 0.00 C ATOM 934 C ASP A 91 3.087 4.366 -8.521 1.00 0.00 C ATOM 935 O ASP A 91 2.234 5.211 -8.331 1.00 0.00 O ATOM 936 CB ASP A 91 5.374 4.529 -9.516 1.00 0.00 C ATOM 937 CG ASP A 91 5.181 5.792 -10.357 1.00 0.00 C ATOM 938 OD1 ASP A 91 4.289 6.561 -10.040 1.00 0.00 O ATOM 939 OD2 ASP A 91 5.929 5.968 -11.305 1.00 0.00 O ATOM 0 H ASP A 91 5.829 3.066 -7.553 1.00 0.00 H new ATOM 0 HA ASP A 91 4.666 5.654 -7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.430 4.392 -9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.056 3.652 -10.079 1.00 0.00 H new ATOM 944 N LEU A 92 2.780 3.187 -8.986 1.00 0.00 N ATOM 945 CA LEU A 92 1.360 2.854 -9.295 1.00 0.00 C ATOM 946 C LEU A 92 0.541 2.862 -8.003 1.00 0.00 C ATOM 947 O LEU A 92 -0.667 2.991 -8.023 1.00 0.00 O ATOM 948 CB LEU A 92 1.290 1.466 -9.934 1.00 0.00 C ATOM 949 CG LEU A 92 0.278 1.483 -11.081 1.00 0.00 C ATOM 950 CD1 LEU A 92 0.508 0.269 -11.983 1.00 0.00 C ATOM 951 CD2 LEU A 92 -1.140 1.430 -10.510 1.00 0.00 C ATOM 0 H LEU A 92 3.450 2.439 -9.166 1.00 0.00 H new ATOM 0 HA LEU A 92 0.955 3.594 -9.986 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.272 1.175 -10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.999 0.725 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 92 0.403 2.397 -11.662 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.213 0.281 -12.800 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.518 0.304 -12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.383 -0.645 -11.402 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.862 1.442 -11.327 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.264 0.516 -9.929 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.306 2.294 -9.867 1.00 0.00 H new ATOM 963 N LEU A 93 1.188 2.726 -6.878 1.00 0.00 N ATOM 964 CA LEU A 93 0.444 2.726 -5.586 1.00 0.00 C ATOM 965 C LEU A 93 -0.182 4.104 -5.358 1.00 0.00 C ATOM 966 O LEU A 93 -1.366 4.225 -5.113 1.00 0.00 O ATOM 967 CB LEU A 93 1.409 2.409 -4.442 1.00 0.00 C ATOM 968 CG LEU A 93 1.228 0.953 -4.010 1.00 0.00 C ATOM 969 CD1 LEU A 93 -0.134 0.785 -3.336 1.00 0.00 C ATOM 970 CD2 LEU A 93 1.303 0.045 -5.240 1.00 0.00 C ATOM 0 H LEU A 93 2.199 2.615 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.341 1.971 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.437 2.579 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.222 3.075 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 93 2.016 0.682 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.262 -0.253 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.189 1.432 -2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.923 1.056 -4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.174 -0.993 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.515 0.317 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.274 0.164 -5.721 1.00 0.00 H new ATOM 982 N LYS A 94 0.603 5.143 -5.436 1.00 0.00 N ATOM 983 CA LYS A 94 0.051 6.511 -5.223 1.00 0.00 C ATOM 984 C LYS A 94 -0.986 6.816 -6.306 1.00 0.00 C ATOM 985 O LYS A 94 -1.816 7.691 -6.154 1.00 0.00 O ATOM 986 CB LYS A 94 1.185 7.536 -5.299 1.00 0.00 C ATOM 987 CG LYS A 94 0.738 8.842 -4.639 1.00 0.00 C ATOM 988 CD LYS A 94 0.370 9.861 -5.719 1.00 0.00 C ATOM 989 CE LYS A 94 1.135 11.163 -5.475 1.00 0.00 C ATOM 990 NZ LYS A 94 1.535 11.757 -6.782 1.00 0.00 N ATOM 0 H LYS A 94 1.602 5.104 -5.638 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.421 6.564 -4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.073 7.149 -4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.457 7.716 -6.339 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.118 8.659 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.536 9.236 -4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.611 9.465 -6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.703 10.050 -5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.512 11.865 -4.920 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.018 10.970 -4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.055 12.642 -6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.144 11.088 -7.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.685 11.956 -7.348 1.00 0.00 H new ATOM 1004 N SER A 95 -0.946 6.102 -7.397 1.00 0.00 N ATOM 1005 CA SER A 95 -1.930 6.353 -8.488 1.00 0.00 C ATOM 1006 C SER A 95 -3.299 5.810 -8.074 1.00 0.00 C ATOM 1007 O SER A 95 -4.285 6.520 -8.072 1.00 0.00 O ATOM 1008 CB SER A 95 -1.467 5.650 -9.764 1.00 0.00 C ATOM 1009 OG SER A 95 -1.503 6.571 -10.846 1.00 0.00 O ATOM 0 H SER A 95 -0.275 5.356 -7.580 1.00 0.00 H new ATOM 0 HA SER A 95 -2.004 7.425 -8.671 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.456 5.263 -9.634 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.110 4.796 -9.976 1.00 0.00 H new ATOM 0 HG SER A 95 -1.205 6.124 -11.666 1.00 0.00 H new ATOM 1015 N LEU A 96 -3.369 4.555 -7.724 1.00 0.00 N ATOM 1016 CA LEU A 96 -4.675 3.968 -7.311 1.00 0.00 C ATOM 1017 C LEU A 96 -5.152 4.641 -6.023 1.00 0.00 C ATOM 1018 O LEU A 96 -6.335 4.726 -5.757 1.00 0.00 O ATOM 1019 CB LEU A 96 -4.505 2.466 -7.070 1.00 0.00 C ATOM 1020 CG LEU A 96 -3.697 2.242 -5.791 1.00 0.00 C ATOM 1021 CD1 LEU A 96 -4.649 1.975 -4.625 1.00 0.00 C ATOM 1022 CD2 LEU A 96 -2.772 1.037 -5.979 1.00 0.00 C ATOM 0 H LEU A 96 -2.578 3.911 -7.706 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.411 4.129 -8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.481 1.988 -6.985 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.998 2.006 -7.918 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.102 3.130 -5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.072 1.815 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.310 2.832 -4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.245 1.087 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.195 0.876 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.369 0.150 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.093 1.226 -6.810 1.00 0.00 H new ATOM 1034 N LEU A 97 -4.242 5.120 -5.220 1.00 0.00 N ATOM 1035 CA LEU A 97 -4.645 5.787 -3.950 1.00 0.00 C ATOM 1036 C LEU A 97 -5.358 7.103 -4.269 1.00 0.00 C ATOM 1037 O LEU A 97 -6.444 7.363 -3.793 1.00 0.00 O ATOM 1038 CB LEU A 97 -3.401 6.073 -3.106 1.00 0.00 C ATOM 1039 CG LEU A 97 -3.408 5.178 -1.866 1.00 0.00 C ATOM 1040 CD1 LEU A 97 -4.611 5.529 -0.990 1.00 0.00 C ATOM 1041 CD2 LEU A 97 -3.503 3.712 -2.297 1.00 0.00 C ATOM 0 H LEU A 97 -3.237 5.078 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.318 5.134 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.501 5.892 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.383 7.122 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.489 5.333 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.616 4.891 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.546 6.573 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.530 5.373 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.508 3.073 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.422 3.558 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.646 3.460 -2.922 1.00 0.00 H new ATOM 1053 N GLU A 98 -4.754 7.935 -5.073 1.00 0.00 N ATOM 1054 CA GLU A 98 -5.398 9.233 -5.422 1.00 0.00 C ATOM 1055 C GLU A 98 -6.610 8.975 -6.321 1.00 0.00 C ATOM 1056 O GLU A 98 -7.460 9.826 -6.491 1.00 0.00 O ATOM 1057 CB GLU A 98 -4.393 10.118 -6.162 1.00 0.00 C ATOM 1058 CG GLU A 98 -4.069 11.346 -5.310 1.00 0.00 C ATOM 1059 CD GLU A 98 -3.445 12.430 -6.191 1.00 0.00 C ATOM 1060 OE1 GLU A 98 -3.278 12.180 -7.373 1.00 0.00 O ATOM 1061 OE2 GLU A 98 -3.145 13.491 -5.668 1.00 0.00 O ATOM 0 H GLU A 98 -3.843 7.772 -5.503 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.722 9.735 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.482 9.556 -6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.804 10.427 -7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.976 11.724 -4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.382 11.074 -4.508 1.00 0.00 H new ATOM 1068 N ALA A 99 -6.695 7.808 -6.897 1.00 0.00 N ATOM 1069 CA ALA A 99 -7.852 7.497 -7.783 1.00 0.00 C ATOM 1070 C ALA A 99 -9.132 7.433 -6.948 1.00 0.00 C ATOM 1071 O ALA A 99 -10.225 7.576 -7.458 1.00 0.00 O ATOM 1072 CB ALA A 99 -7.622 6.148 -8.468 1.00 0.00 C ATOM 0 H ALA A 99 -6.014 7.056 -6.793 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.950 8.276 -8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.468 5.920 -9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -6.710 6.193 -9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.523 5.368 -7.713 1.00 0.00 H new ATOM 1078 N LYS A 100 -9.005 7.220 -5.667 1.00 0.00 N ATOM 1079 CA LYS A 100 -10.214 7.147 -4.800 1.00 0.00 C ATOM 1080 C LYS A 100 -10.418 8.490 -4.096 1.00 0.00 C ATOM 1081 O LYS A 100 -11.483 8.780 -3.588 1.00 0.00 O ATOM 1082 CB LYS A 100 -10.027 6.046 -3.754 1.00 0.00 C ATOM 1083 CG LYS A 100 -10.609 4.734 -4.284 1.00 0.00 C ATOM 1084 CD LYS A 100 -9.717 3.568 -3.851 1.00 0.00 C ATOM 1085 CE LYS A 100 -8.576 3.398 -4.855 1.00 0.00 C ATOM 1086 NZ LYS A 100 -8.871 2.246 -5.752 1.00 0.00 N ATOM 0 H LYS A 100 -8.116 7.093 -5.183 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.087 6.921 -5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.968 5.921 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -10.521 6.326 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.621 4.593 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.679 4.768 -5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.315 3.754 -2.855 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.303 2.651 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.456 4.308 -5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.636 3.231 -4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.095 2.130 -6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -8.965 1.379 -5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.759 2.423 -6.264 1.00 0.00 H new ATOM 1100 N GLY A 101 -9.405 9.312 -4.061 1.00 0.00 N ATOM 1101 CA GLY A 101 -9.543 10.636 -3.389 1.00 0.00 C ATOM 1102 C GLY A 101 -8.848 10.593 -2.027 1.00 0.00 C ATOM 1103 O GLY A 101 -8.655 11.606 -1.386 1.00 0.00 O ATOM 0 H GLY A 101 -8.489 9.125 -4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.103 11.418 -4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.597 10.884 -3.263 1.00 0.00 H new ATOM 1107 N MET A 102 -8.470 9.426 -1.580 1.00 0.00 N ATOM 1108 CA MET A 102 -7.789 9.320 -0.259 1.00 0.00 C ATOM 1109 C MET A 102 -6.430 10.020 -0.329 1.00 0.00 C ATOM 1110 O MET A 102 -5.766 10.009 -1.347 1.00 0.00 O ATOM 1111 CB MET A 102 -7.585 7.845 0.092 1.00 0.00 C ATOM 1112 CG MET A 102 -8.833 7.310 0.797 1.00 0.00 C ATOM 1113 SD MET A 102 -9.243 5.674 0.140 1.00 0.00 S ATOM 1114 CE MET A 102 -8.046 4.732 1.116 1.00 0.00 C ATOM 0 H MET A 102 -8.603 8.543 -2.072 1.00 0.00 H new ATOM 0 HA MET A 102 -8.403 9.794 0.506 1.00 0.00 H new ATOM 0 HB2 MET A 102 -7.390 7.269 -0.812 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.713 7.731 0.736 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.659 7.249 1.871 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.669 7.993 0.648 1.00 0.00 H new ATOM 0 HE1 MET A 102 -8.374 3.695 1.192 1.00 0.00 H new ATOM 0 HE2 MET A 102 -7.071 4.770 0.631 1.00 0.00 H new ATOM 0 HE3 MET A 102 -7.971 5.163 2.114 1.00 0.00 H new ATOM 1124 N LYS A 103 -6.011 10.630 0.746 1.00 0.00 N ATOM 1125 CA LYS A 103 -4.695 11.330 0.740 1.00 0.00 C ATOM 1126 C LYS A 103 -3.587 10.335 1.090 1.00 0.00 C ATOM 1127 O LYS A 103 -3.280 10.114 2.245 1.00 0.00 O ATOM 1128 CB LYS A 103 -4.713 12.458 1.773 1.00 0.00 C ATOM 1129 CG LYS A 103 -4.521 13.802 1.067 1.00 0.00 C ATOM 1130 CD LYS A 103 -4.287 14.898 2.108 1.00 0.00 C ATOM 1131 CE LYS A 103 -4.885 16.214 1.607 1.00 0.00 C ATOM 1132 NZ LYS A 103 -5.096 17.134 2.761 1.00 0.00 N ATOM 0 H LYS A 103 -6.522 10.674 1.627 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.509 11.747 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.658 12.453 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.922 12.305 2.507 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.673 13.748 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.400 14.038 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -4.744 14.617 3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.219 15.018 2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.218 16.675 0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.831 16.026 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.503 18.029 2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.748 16.694 3.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.185 17.322 3.226 1.00 0.00 H new ATOM 1146 N VAL A 104 -2.984 9.733 0.102 1.00 0.00 N ATOM 1147 CA VAL A 104 -1.896 8.753 0.379 1.00 0.00 C ATOM 1148 C VAL A 104 -0.554 9.485 0.444 1.00 0.00 C ATOM 1149 O VAL A 104 -0.340 10.470 -0.234 1.00 0.00 O ATOM 1150 CB VAL A 104 -1.854 7.708 -0.737 1.00 0.00 C ATOM 1151 CG1 VAL A 104 -1.576 8.399 -2.073 1.00 0.00 C ATOM 1152 CG2 VAL A 104 -0.743 6.697 -0.446 1.00 0.00 C ATOM 0 H VAL A 104 -3.198 9.877 -0.885 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.086 8.259 1.332 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.813 7.192 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.546 7.654 -2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.366 9.120 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.617 8.915 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.712 5.952 -1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.215 7.214 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.940 6.204 0.506 1.00 0.00 H new ATOM 1162 N LYS A 105 0.353 9.011 1.254 1.00 0.00 N ATOM 1163 CA LYS A 105 1.680 9.680 1.360 1.00 0.00 C ATOM 1164 C LYS A 105 2.773 8.724 0.879 1.00 0.00 C ATOM 1165 O LYS A 105 3.060 7.726 1.509 1.00 0.00 O ATOM 1166 CB LYS A 105 1.943 10.062 2.818 1.00 0.00 C ATOM 1167 CG LYS A 105 1.958 11.586 2.952 1.00 0.00 C ATOM 1168 CD LYS A 105 1.580 11.977 4.382 1.00 0.00 C ATOM 1169 CE LYS A 105 1.656 13.497 4.533 1.00 0.00 C ATOM 1170 NZ LYS A 105 0.361 14.010 5.062 1.00 0.00 N ATOM 0 H LYS A 105 0.232 8.190 1.847 1.00 0.00 H new ATOM 0 HA LYS A 105 1.685 10.578 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 105 1.172 9.637 3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 105 2.896 9.648 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.947 11.973 2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 105 1.258 12.031 2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 105 0.573 11.628 4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 105 2.253 11.496 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.469 13.766 5.208 1.00 0.00 H new ATOM 0 HE3 LYS A 105 1.876 13.958 3.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 0.413 15.044 5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.405 13.766 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.170 13.579 5.989 1.00 0.00 H new ATOM 1184 N LEU A 106 3.386 9.020 -0.235 1.00 0.00 N ATOM 1185 CA LEU A 106 4.459 8.128 -0.755 1.00 0.00 C ATOM 1186 C LEU A 106 5.404 7.747 0.387 1.00 0.00 C ATOM 1187 O LEU A 106 5.260 6.710 1.004 1.00 0.00 O ATOM 1188 CB LEU A 106 5.246 8.859 -1.845 1.00 0.00 C ATOM 1189 CG LEU A 106 4.950 8.221 -3.203 1.00 0.00 C ATOM 1190 CD1 LEU A 106 5.769 8.923 -4.288 1.00 0.00 C ATOM 1191 CD2 LEU A 106 5.326 6.738 -3.162 1.00 0.00 C ATOM 0 H LEU A 106 3.189 9.841 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 106 4.011 7.226 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.973 9.914 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.314 8.809 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 106 3.888 8.322 -3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 106 5.557 8.468 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.503 9.980 -4.318 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.831 8.823 -4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 106 5.115 6.282 -4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.388 6.638 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.743 6.236 -2.390 1.00 0.00 H new ATOM 1203 N ALA A 107 6.369 8.577 0.673 1.00 0.00 N ATOM 1204 CA ALA A 107 7.321 8.262 1.775 1.00 0.00 C ATOM 1205 C ALA A 107 8.542 9.178 1.672 1.00 0.00 C ATOM 1206 O ALA A 107 8.951 9.793 2.637 1.00 0.00 O ATOM 1207 CB ALA A 107 7.766 6.802 1.662 1.00 0.00 C ATOM 0 H ALA A 107 6.539 9.460 0.191 1.00 0.00 H new ATOM 0 HA ALA A 107 6.830 8.419 2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 107 8.463 6.571 2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 107 6.896 6.150 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.257 6.645 0.702 1.00 0.00 H new ATOM 1213 N GLY A 108 9.127 9.273 0.510 1.00 0.00 N ATOM 1214 CA GLY A 108 10.321 10.150 0.347 1.00 0.00 C ATOM 1215 C GLY A 108 11.557 9.287 0.085 1.00 0.00 C ATOM 1216 O GLY A 108 11.569 8.456 -0.801 1.00 0.00 O ATOM 0 H GLY A 108 8.830 8.782 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.166 10.843 -0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 108 10.468 10.752 1.244 1.00 0.00 H new ATOM 1220 N GLY A 109 12.598 9.478 0.848 1.00 0.00 N ATOM 1221 CA GLY A 109 13.832 8.668 0.642 1.00 0.00 C ATOM 1222 C GLY A 109 15.034 9.600 0.482 1.00 0.00 C ATOM 1223 O GLY A 109 14.888 10.795 0.315 1.00 0.00 O ATOM 0 H GLY A 109 12.648 10.160 1.605 1.00 0.00 H new ATOM 0 HA2 GLY A 109 13.987 8.000 1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 109 13.724 8.041 -0.243 1.00 0.00 H new ATOM 1227 N LEU A 110 16.223 9.064 0.532 1.00 0.00 N ATOM 1228 CA LEU A 110 17.433 9.920 0.384 1.00 0.00 C ATOM 1229 C LEU A 110 18.684 9.039 0.377 1.00 0.00 C ATOM 1230 O LEU A 110 18.601 7.827 0.406 1.00 0.00 O ATOM 1231 CB LEU A 110 17.509 10.904 1.553 1.00 0.00 C ATOM 1232 CG LEU A 110 17.333 12.331 1.032 1.00 0.00 C ATOM 1233 CD1 LEU A 110 16.429 13.115 1.985 1.00 0.00 C ATOM 1234 CD2 LEU A 110 18.699 13.015 0.949 1.00 0.00 C ATOM 0 H LEU A 110 16.408 8.070 0.669 1.00 0.00 H new ATOM 0 HA LEU A 110 17.373 10.473 -0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 110 16.735 10.675 2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 110 18.468 10.807 2.062 1.00 0.00 H new ATOM 0 HG LEU A 110 16.879 12.302 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 110 16.304 14.132 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 110 15.456 12.628 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 110 16.883 13.144 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 110 18.575 14.032 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 110 19.153 13.043 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.344 12.457 0.270 1.00 0.00 H new ATOM 1246 N GLU A 111 19.843 9.637 0.339 1.00 0.00 N ATOM 1247 CA GLU A 111 21.097 8.833 0.331 1.00 0.00 C ATOM 1248 C GLU A 111 22.187 9.579 1.103 1.00 0.00 C ATOM 1249 O GLU A 111 22.716 10.538 0.565 1.00 0.00 O ATOM 1250 CB GLU A 111 21.554 8.615 -1.113 1.00 0.00 C ATOM 1251 CG GLU A 111 20.414 7.989 -1.920 1.00 0.00 C ATOM 1252 CD GLU A 111 20.843 7.844 -3.381 1.00 0.00 C ATOM 1253 OE1 GLU A 111 22.036 7.764 -3.623 1.00 0.00 O ATOM 1254 OE2 GLU A 111 19.971 7.815 -4.234 1.00 0.00 O ATOM 0 H GLU A 111 19.976 10.648 0.313 1.00 0.00 H new ATOM 0 HA GLU A 111 20.912 7.868 0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 111 21.851 9.564 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 111 22.429 7.965 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 111 20.155 7.014 -1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 111 19.522 8.611 -1.852 1.00 0.00 H new TER 1261 GLU A 111