USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 806 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 3 SER OG : rot 81:sc= 0.599 USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 60:sc= 1.25 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 39:sc= 0.48 USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.11) USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= 0.55 (180deg=0.218) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= 1.01 (180deg=0.844) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 54:sc= 0.331 USER MOD Single : B 4 THR OG1 : rot 180:sc= -0.843 USER MOD Single : B 9 LYS NZ :NH3+ -145:sc= 0.2 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 69:sc= 1.21 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 TYR OH : rot -141:sc= 0.971 USER MOD Single : B 42 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.21) USER MOD Single : B 46 LYS NZ :NH3+ 171:sc= 0.991 (180deg=0.93) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0.671 (180deg=0.671) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -1.165 -12.582 -2.721 1.00 0.48 N ATOM 43 CA SER A 3 -1.497 -11.294 -3.298 1.00 0.40 C ATOM 44 C SER A 3 -2.424 -11.421 -4.507 1.00 0.40 C ATOM 45 O SER A 3 -3.017 -12.473 -4.759 1.00 0.46 O ATOM 46 CB SER A 3 -0.198 -10.614 -3.719 1.00 0.41 C ATOM 47 OG SER A 3 0.704 -10.562 -2.632 1.00 0.44 O ATOM 0 HA SER A 3 -2.028 -10.706 -2.549 1.00 0.40 H new ATOM 0 HB2 SER A 3 0.253 -11.158 -4.549 1.00 0.41 H new ATOM 0 HB3 SER A 3 -0.407 -9.605 -4.076 1.00 0.41 H new ATOM 0 HG SER A 3 1.153 -11.428 -2.538 1.00 0.44 H new ATOM 53 N THR A 4 -2.534 -10.317 -5.237 1.00 0.37 N ATOM 54 CA THR A 4 -3.310 -10.248 -6.460 1.00 0.37 C ATOM 55 C THR A 4 -4.809 -10.282 -6.169 1.00 0.37 C ATOM 56 O THR A 4 -5.485 -11.289 -6.385 1.00 0.48 O ATOM 57 CB THR A 4 -2.922 -11.360 -7.458 1.00 0.39 C ATOM 58 OG1 THR A 4 -1.500 -11.364 -7.646 1.00 0.35 O ATOM 59 CG2 THR A 4 -3.601 -11.143 -8.801 1.00 0.45 C ATOM 0 H THR A 4 -2.080 -9.438 -4.990 1.00 0.37 H new ATOM 0 HA THR A 4 -3.074 -9.292 -6.929 1.00 0.37 H new ATOM 0 HB THR A 4 -3.248 -12.316 -7.049 1.00 0.39 H new ATOM 0 HG1 THR A 4 -1.256 -12.072 -8.278 1.00 0.35 H new ATOM 0 HG21 THR A 4 -3.312 -11.939 -9.487 1.00 0.45 H new ATOM 0 HG22 THR A 4 -4.683 -11.153 -8.668 1.00 0.45 H new ATOM 0 HG23 THR A 4 -3.295 -10.181 -9.212 1.00 0.45 H new ATOM 67 N GLY A 5 -5.304 -9.185 -5.620 1.00 0.31 N ATOM 68 CA GLY A 5 -6.725 -9.024 -5.427 1.00 0.30 C ATOM 69 C GLY A 5 -7.171 -9.538 -4.082 1.00 0.28 C ATOM 70 O GLY A 5 -8.236 -10.142 -3.959 1.00 0.32 O ATOM 0 H GLY A 5 -4.739 -8.397 -5.302 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -6.987 -7.970 -5.518 1.00 0.30 H new ATOM 0 HA3 GLY A 5 -7.261 -9.554 -6.214 1.00 0.30 H new ATOM 74 N ILE A 6 -6.353 -9.296 -3.069 1.00 0.27 N ATOM 75 CA ILE A 6 -6.683 -9.720 -1.723 1.00 0.28 C ATOM 76 C ILE A 6 -7.105 -8.516 -0.895 1.00 0.27 C ATOM 77 O ILE A 6 -6.492 -7.452 -0.967 1.00 0.40 O ATOM 78 CB ILE A 6 -5.517 -10.455 -1.024 1.00 0.34 C ATOM 79 CG1 ILE A 6 -6.003 -11.015 0.311 1.00 0.38 C ATOM 80 CG2 ILE A 6 -4.318 -9.535 -0.816 1.00 0.35 C ATOM 81 CD1 ILE A 6 -6.972 -12.167 0.165 1.00 0.49 C ATOM 0 H ILE A 6 -5.460 -8.810 -3.156 1.00 0.27 H new ATOM 0 HA ILE A 6 -7.506 -10.431 -1.802 1.00 0.28 H new ATOM 0 HB ILE A 6 -5.188 -11.273 -1.665 1.00 0.34 H new ATOM 0 HG12 ILE A 6 -5.142 -11.346 0.892 1.00 0.38 H new ATOM 0 HG13 ILE A 6 -6.482 -10.217 0.878 1.00 0.38 H new ATOM 0 HG21 ILE A 6 -3.518 -10.086 -0.322 1.00 0.35 H new ATOM 0 HG22 ILE A 6 -3.966 -9.172 -1.782 1.00 0.35 H new ATOM 0 HG23 ILE A 6 -4.612 -8.689 -0.195 1.00 0.35 H new ATOM 0 HD11 ILE A 6 -7.275 -12.515 1.153 1.00 0.49 H new ATOM 0 HD12 ILE A 6 -7.850 -11.836 -0.389 1.00 0.49 H new ATOM 0 HD13 ILE A 6 -6.489 -12.982 -0.374 1.00 0.49 H new ATOM 93 N VAL A 7 -8.155 -8.674 -0.121 1.00 0.24 N ATOM 94 CA VAL A 7 -8.712 -7.563 0.619 1.00 0.24 C ATOM 95 C VAL A 7 -8.171 -7.533 2.050 1.00 0.27 C ATOM 96 O VAL A 7 -8.200 -8.538 2.757 1.00 0.34 O ATOM 97 CB VAL A 7 -10.256 -7.624 0.620 1.00 0.30 C ATOM 98 CG1 VAL A 7 -10.772 -8.892 1.293 1.00 0.37 C ATOM 99 CG2 VAL A 7 -10.823 -6.389 1.279 1.00 0.34 C ATOM 0 H VAL A 7 -8.641 -9.561 0.013 1.00 0.24 H new ATOM 0 HA VAL A 7 -8.407 -6.642 0.123 1.00 0.24 H new ATOM 0 HB VAL A 7 -10.593 -7.655 -0.416 1.00 0.30 H new ATOM 0 HG11 VAL A 7 -11.862 -8.897 1.273 1.00 0.37 H new ATOM 0 HG12 VAL A 7 -10.395 -9.765 0.761 1.00 0.37 H new ATOM 0 HG13 VAL A 7 -10.428 -8.921 2.327 1.00 0.37 H new ATOM 0 HG21 VAL A 7 -11.912 -6.442 1.275 1.00 0.34 H new ATOM 0 HG22 VAL A 7 -10.467 -6.329 2.307 1.00 0.34 H new ATOM 0 HG23 VAL A 7 -10.500 -5.504 0.731 1.00 0.34 H new ATOM 109 N ARG A 8 -7.640 -6.386 2.455 1.00 0.26 N ATOM 110 CA ARG A 8 -7.128 -6.209 3.806 1.00 0.32 C ATOM 111 C ARG A 8 -7.765 -5.001 4.466 1.00 0.27 C ATOM 112 O ARG A 8 -8.312 -4.133 3.787 1.00 0.22 O ATOM 113 CB ARG A 8 -5.611 -6.036 3.805 1.00 0.40 C ATOM 114 CG ARG A 8 -4.857 -7.331 4.007 1.00 0.53 C ATOM 115 CD ARG A 8 -4.734 -8.117 2.719 1.00 0.54 C ATOM 116 NE ARG A 8 -4.099 -9.409 2.942 1.00 0.76 N ATOM 117 CZ ARG A 8 -2.799 -9.574 3.184 1.00 1.02 C ATOM 118 NH1 ARG A 8 -1.980 -8.527 3.225 1.00 1.96 N ATOM 119 NH2 ARG A 8 -2.325 -10.790 3.401 1.00 1.11 N ATOM 0 H ARG A 8 -7.553 -5.561 1.862 1.00 0.26 H new ATOM 0 HA ARG A 8 -7.381 -7.108 4.369 1.00 0.32 H new ATOM 0 HB2 ARG A 8 -5.305 -5.590 2.859 1.00 0.40 H new ATOM 0 HB3 ARG A 8 -5.332 -5.336 4.592 1.00 0.40 H new ATOM 0 HG2 ARG A 8 -3.862 -7.115 4.398 1.00 0.53 H new ATOM 0 HG3 ARG A 8 -5.369 -7.937 4.755 1.00 0.53 H new ATOM 0 HD2 ARG A 8 -5.723 -8.266 2.286 1.00 0.54 H new ATOM 0 HD3 ARG A 8 -4.153 -7.545 1.996 1.00 0.54 H new ATOM 0 HE ARG A 8 -4.688 -10.241 2.911 1.00 0.76 H new ATOM 0 HH11 ARG A 8 -2.345 -7.587 3.070 1.00 1.96 H new ATOM 0 HH12 ARG A 8 -0.986 -8.664 3.411 1.00 1.96 H new ATOM 0 HH21 ARG A 8 -2.953 -11.593 3.382 1.00 1.11 H new ATOM 0 HH22 ARG A 8 -1.331 -10.924 3.587 1.00 1.11 H new ATOM 133 N LYS A 9 -7.690 -4.953 5.785 1.00 0.31 N ATOM 134 CA LYS A 9 -8.177 -3.811 6.539 1.00 0.27 C ATOM 135 C LYS A 9 -7.121 -2.711 6.522 1.00 0.23 C ATOM 136 O LYS A 9 -5.950 -2.980 6.236 1.00 0.26 O ATOM 137 CB LYS A 9 -8.476 -4.220 7.984 1.00 0.30 C ATOM 138 CG LYS A 9 -9.536 -3.364 8.664 1.00 1.16 C ATOM 139 CD LYS A 9 -10.911 -4.018 8.594 1.00 0.84 C ATOM 140 CE LYS A 9 -11.377 -4.212 7.160 1.00 0.59 C ATOM 141 NZ LYS A 9 -12.524 -5.148 7.076 1.00 0.73 N ATOM 0 H LYS A 9 -7.294 -5.697 6.359 1.00 0.31 H new ATOM 0 HA LYS A 9 -9.096 -3.444 6.082 1.00 0.27 H new ATOM 0 HB2 LYS A 9 -8.801 -5.260 7.996 1.00 0.30 H new ATOM 0 HB3 LYS A 9 -7.554 -4.167 8.564 1.00 0.30 H new ATOM 0 HG2 LYS A 9 -9.261 -3.203 9.706 1.00 1.16 H new ATOM 0 HG3 LYS A 9 -9.573 -2.384 8.189 1.00 1.16 H new ATOM 0 HD2 LYS A 9 -10.879 -4.984 9.099 1.00 0.84 H new ATOM 0 HD3 LYS A 9 -11.633 -3.402 9.130 1.00 0.84 H new ATOM 0 HE2 LYS A 9 -11.662 -3.249 6.737 1.00 0.59 H new ATOM 0 HE3 LYS A 9 -10.552 -4.593 6.558 1.00 0.59 H new ATOM 0 HZ1 LYS A 9 -12.813 -5.255 6.083 1.00 0.73 H new ATOM 0 HZ2 LYS A 9 -12.244 -6.075 7.457 1.00 0.73 H new ATOM 0 HZ3 LYS A 9 -13.320 -4.772 7.630 1.00 0.73 H new ATOM 155 N VAL A 10 -7.524 -1.482 6.815 1.00 0.20 N ATOM 156 CA VAL A 10 -6.574 -0.390 6.896 1.00 0.21 C ATOM 157 C VAL A 10 -5.866 -0.426 8.253 1.00 0.24 C ATOM 158 O VAL A 10 -5.075 -1.331 8.526 1.00 0.44 O ATOM 159 CB VAL A 10 -7.242 0.995 6.694 1.00 0.20 C ATOM 160 CG1 VAL A 10 -6.206 2.054 6.338 1.00 0.22 C ATOM 161 CG2 VAL A 10 -8.339 0.937 5.640 1.00 0.20 C ATOM 0 H VAL A 10 -8.493 -1.221 6.998 1.00 0.20 H new ATOM 0 HA VAL A 10 -5.855 -0.524 6.088 1.00 0.21 H new ATOM 0 HB VAL A 10 -7.706 1.276 7.640 1.00 0.20 H new ATOM 0 HG11 VAL A 10 -6.701 3.016 6.202 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.475 2.133 7.143 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -5.700 1.772 5.415 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -8.785 1.925 5.525 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -7.913 0.618 4.689 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -9.105 0.227 5.951 1.00 0.20 H new ATOM 171 N ASP A 11 -6.203 0.526 9.115 1.00 0.24 N ATOM 172 CA ASP A 11 -5.590 0.652 10.434 1.00 0.23 C ATOM 173 C ASP A 11 -6.117 1.904 11.106 1.00 0.24 C ATOM 174 O ASP A 11 -6.862 1.841 12.083 1.00 0.24 O ATOM 175 CB ASP A 11 -4.061 0.736 10.325 1.00 0.40 C ATOM 176 CG ASP A 11 -3.372 0.793 11.673 1.00 0.61 C ATOM 177 OD1 ASP A 11 -3.711 -0.023 12.553 1.00 1.32 O ATOM 178 OD2 ASP A 11 -2.482 1.651 11.849 1.00 1.15 O ATOM 0 H ASP A 11 -6.910 1.234 8.920 1.00 0.24 H new ATOM 0 HA ASP A 11 -5.843 -0.229 11.023 1.00 0.23 H new ATOM 0 HB2 ASP A 11 -3.694 -0.129 9.772 1.00 0.40 H new ATOM 0 HB3 ASP A 11 -3.792 1.621 9.748 1.00 0.40 H new ATOM 183 N GLU A 12 -5.743 3.041 10.540 1.00 0.30 N ATOM 184 CA GLU A 12 -6.224 4.335 10.988 1.00 0.33 C ATOM 185 C GLU A 12 -6.070 5.360 9.876 1.00 0.31 C ATOM 186 O GLU A 12 -6.976 5.554 9.065 1.00 0.35 O ATOM 187 CB GLU A 12 -5.491 4.804 12.254 1.00 0.39 C ATOM 188 CG GLU A 12 -4.035 4.376 12.329 1.00 0.43 C ATOM 189 CD GLU A 12 -3.367 4.809 13.616 1.00 0.56 C ATOM 190 OE1 GLU A 12 -2.829 5.936 13.661 1.00 1.39 O ATOM 191 OE2 GLU A 12 -3.378 4.028 14.588 1.00 1.08 O ATOM 0 H GLU A 12 -5.095 3.090 9.754 1.00 0.30 H new ATOM 0 HA GLU A 12 -7.280 4.233 11.239 1.00 0.33 H new ATOM 0 HB2 GLU A 12 -5.541 5.892 12.307 1.00 0.39 H new ATOM 0 HB3 GLU A 12 -6.016 4.418 13.128 1.00 0.39 H new ATOM 0 HG2 GLU A 12 -3.974 3.291 12.239 1.00 0.43 H new ATOM 0 HG3 GLU A 12 -3.492 4.797 11.483 1.00 0.43 H new ATOM 198 N LEU A 13 -4.898 5.970 9.814 1.00 0.31 N ATOM 199 CA LEU A 13 -4.639 7.036 8.860 1.00 0.32 C ATOM 200 C LEU A 13 -4.392 6.499 7.450 1.00 0.35 C ATOM 201 O LEU A 13 -4.669 7.188 6.469 1.00 0.60 O ATOM 202 CB LEU A 13 -3.449 7.890 9.321 1.00 0.37 C ATOM 203 CG LEU A 13 -2.051 7.296 9.082 1.00 0.43 C ATOM 204 CD1 LEU A 13 -0.986 8.341 9.364 1.00 0.54 C ATOM 205 CD2 LEU A 13 -1.818 6.063 9.945 1.00 0.43 C ATOM 0 H LEU A 13 -4.107 5.744 10.417 1.00 0.31 H new ATOM 0 HA LEU A 13 -5.533 7.659 8.820 1.00 0.32 H new ATOM 0 HB2 LEU A 13 -3.503 8.853 8.814 1.00 0.37 H new ATOM 0 HB3 LEU A 13 -3.560 8.084 10.388 1.00 0.37 H new ATOM 0 HG LEU A 13 -1.988 6.991 8.037 1.00 0.43 H new ATOM 0 HD11 LEU A 13 0.001 7.911 9.192 1.00 0.54 H new ATOM 0 HD12 LEU A 13 -1.130 9.195 8.702 1.00 0.54 H new ATOM 0 HD13 LEU A 13 -1.063 8.669 10.401 1.00 0.54 H new ATOM 0 HD21 LEU A 13 -0.821 5.667 9.752 1.00 0.43 H new ATOM 0 HD22 LEU A 13 -1.904 6.334 10.997 1.00 0.43 H new ATOM 0 HD23 LEU A 13 -2.562 5.304 9.704 1.00 0.43 H new ATOM 217 N GLY A 14 -3.887 5.271 7.342 1.00 0.20 N ATOM 218 CA GLY A 14 -3.598 4.730 6.025 1.00 0.24 C ATOM 219 C GLY A 14 -2.664 3.536 6.028 1.00 0.22 C ATOM 220 O GLY A 14 -2.344 3.017 4.966 1.00 0.34 O ATOM 0 H GLY A 14 -3.677 4.653 8.126 1.00 0.20 H new ATOM 0 HA2 GLY A 14 -4.536 4.441 5.551 1.00 0.24 H new ATOM 0 HA3 GLY A 14 -3.160 5.517 5.411 1.00 0.24 H new ATOM 224 N ARG A 15 -2.196 3.100 7.193 1.00 0.15 N ATOM 225 CA ARG A 15 -1.318 1.930 7.240 1.00 0.17 C ATOM 226 C ARG A 15 -2.053 0.662 6.831 1.00 0.16 C ATOM 227 O ARG A 15 -2.776 0.075 7.629 1.00 0.18 O ATOM 228 CB ARG A 15 -0.700 1.730 8.621 1.00 0.20 C ATOM 229 CG ARG A 15 0.809 1.683 8.569 1.00 0.23 C ATOM 230 CD ARG A 15 1.426 1.670 9.953 1.00 0.29 C ATOM 231 NE ARG A 15 2.874 1.848 9.888 1.00 0.59 N ATOM 232 CZ ARG A 15 3.580 2.588 10.741 1.00 0.78 C ATOM 233 NH1 ARG A 15 2.985 3.176 11.778 1.00 0.82 N ATOM 234 NH2 ARG A 15 4.886 2.727 10.555 1.00 1.26 N ATOM 0 H ARG A 15 -2.401 3.524 8.098 1.00 0.15 H new ATOM 0 HA ARG A 15 -0.517 2.125 6.527 1.00 0.17 H new ATOM 0 HB2 ARG A 15 -1.014 2.540 9.279 1.00 0.20 H new ATOM 0 HB3 ARG A 15 -1.076 0.803 9.055 1.00 0.20 H new ATOM 0 HG2 ARG A 15 1.125 0.794 8.023 1.00 0.23 H new ATOM 0 HG3 ARG A 15 1.179 2.546 8.015 1.00 0.23 H new ATOM 0 HD2 ARG A 15 0.986 2.463 10.557 1.00 0.29 H new ATOM 0 HD3 ARG A 15 1.195 0.727 10.448 1.00 0.29 H new ATOM 0 HE ARG A 15 3.379 1.374 9.139 1.00 0.59 H new ATOM 0 HH11 ARG A 15 1.982 3.061 11.923 1.00 0.82 H new ATOM 0 HH12 ARG A 15 3.533 3.741 12.427 1.00 0.82 H new ATOM 0 HH21 ARG A 15 5.340 2.269 9.765 1.00 1.26 H new ATOM 0 HH22 ARG A 15 5.436 3.292 11.202 1.00 1.26 H new ATOM 248 N VAL A 16 -1.867 0.250 5.587 1.00 0.16 N ATOM 249 CA VAL A 16 -2.467 -0.983 5.097 1.00 0.16 C ATOM 250 C VAL A 16 -1.467 -2.133 5.186 1.00 0.16 C ATOM 251 O VAL A 16 -0.262 -1.941 4.996 1.00 0.15 O ATOM 252 CB VAL A 16 -2.964 -0.830 3.646 1.00 0.17 C ATOM 253 CG1 VAL A 16 -3.926 0.336 3.574 1.00 1.04 C ATOM 254 CG2 VAL A 16 -1.801 -0.634 2.681 1.00 0.97 C ATOM 0 H VAL A 16 -1.306 0.750 4.898 1.00 0.16 H new ATOM 0 HA VAL A 16 -3.327 -1.206 5.728 1.00 0.16 H new ATOM 0 HB VAL A 16 -3.478 -1.744 3.348 1.00 0.17 H new ATOM 0 HG11 VAL A 16 -4.282 0.451 2.550 1.00 1.04 H new ATOM 0 HG12 VAL A 16 -4.773 0.150 4.234 1.00 1.04 H new ATOM 0 HG13 VAL A 16 -3.416 1.248 3.885 1.00 1.04 H new ATOM 0 HG21 VAL A 16 -2.184 -0.529 1.666 1.00 0.97 H new ATOM 0 HG22 VAL A 16 -1.248 0.265 2.955 1.00 0.97 H new ATOM 0 HG23 VAL A 16 -1.137 -1.497 2.731 1.00 0.97 H new ATOM 264 N VAL A 17 -1.966 -3.323 5.487 1.00 0.17 N ATOM 265 CA VAL A 17 -1.108 -4.487 5.671 1.00 0.18 C ATOM 266 C VAL A 17 -0.736 -5.117 4.328 1.00 0.19 C ATOM 267 O VAL A 17 -1.576 -5.742 3.670 1.00 0.25 O ATOM 268 CB VAL A 17 -1.791 -5.564 6.538 1.00 0.21 C ATOM 269 CG1 VAL A 17 -0.841 -6.724 6.813 1.00 0.23 C ATOM 270 CG2 VAL A 17 -2.306 -4.972 7.837 1.00 0.22 C ATOM 0 H VAL A 17 -2.961 -3.509 5.609 1.00 0.17 H new ATOM 0 HA VAL A 17 -0.209 -4.132 6.175 1.00 0.18 H new ATOM 0 HB VAL A 17 -2.645 -5.949 5.981 1.00 0.21 H new ATOM 0 HG11 VAL A 17 -1.346 -7.470 7.426 1.00 0.23 H new ATOM 0 HG12 VAL A 17 -0.536 -7.176 5.869 1.00 0.23 H new ATOM 0 HG13 VAL A 17 0.039 -6.356 7.340 1.00 0.23 H new ATOM 0 HG21 VAL A 17 -2.783 -5.753 8.429 1.00 0.22 H new ATOM 0 HG22 VAL A 17 -1.474 -4.548 8.399 1.00 0.22 H new ATOM 0 HG23 VAL A 17 -3.032 -4.189 7.617 1.00 0.22 H new ATOM 280 N ILE A 18 0.512 -4.941 3.915 1.00 0.17 N ATOM 281 CA ILE A 18 1.020 -5.603 2.722 1.00 0.21 C ATOM 282 C ILE A 18 1.395 -7.050 3.041 1.00 0.17 C ATOM 283 O ILE A 18 1.921 -7.334 4.118 1.00 0.18 O ATOM 284 CB ILE A 18 2.259 -4.875 2.149 1.00 0.30 C ATOM 285 CG1 ILE A 18 1.971 -3.383 1.985 1.00 0.36 C ATOM 286 CG2 ILE A 18 2.689 -5.489 0.826 1.00 0.39 C ATOM 287 CD1 ILE A 18 2.895 -2.683 1.013 1.00 0.62 C ATOM 0 H ILE A 18 1.191 -4.345 4.389 1.00 0.17 H new ATOM 0 HA ILE A 18 0.227 -5.579 1.974 1.00 0.21 H new ATOM 0 HB ILE A 18 3.081 -4.993 2.855 1.00 0.30 H new ATOM 0 HG12 ILE A 18 0.942 -3.257 1.648 1.00 0.36 H new ATOM 0 HG13 ILE A 18 2.049 -2.899 2.958 1.00 0.36 H new ATOM 0 HG21 ILE A 18 3.562 -4.958 0.445 1.00 0.39 H new ATOM 0 HG22 ILE A 18 2.940 -6.539 0.977 1.00 0.39 H new ATOM 0 HG23 ILE A 18 1.874 -5.410 0.106 1.00 0.39 H new ATOM 0 HD11 ILE A 18 2.627 -1.628 0.951 1.00 0.62 H new ATOM 0 HD12 ILE A 18 3.925 -2.776 1.358 1.00 0.62 H new ATOM 0 HD13 ILE A 18 2.800 -3.139 0.028 1.00 0.62 H new ATOM 299 N PRO A 19 1.079 -7.989 2.130 1.00 0.22 N ATOM 300 CA PRO A 19 1.474 -9.396 2.250 1.00 0.24 C ATOM 301 C PRO A 19 2.936 -9.595 2.634 1.00 0.23 C ATOM 302 O PRO A 19 3.826 -8.900 2.136 1.00 0.20 O ATOM 303 CB PRO A 19 1.253 -9.930 0.849 1.00 0.28 C ATOM 304 CG PRO A 19 0.102 -9.140 0.339 1.00 0.31 C ATOM 305 CD PRO A 19 0.270 -7.759 0.914 1.00 0.29 C ATOM 0 HA PRO A 19 0.907 -9.893 3.037 1.00 0.24 H new ATOM 0 HB2 PRO A 19 2.137 -9.794 0.226 1.00 0.28 H new ATOM 0 HB3 PRO A 19 1.031 -10.997 0.859 1.00 0.28 H new ATOM 0 HG2 PRO A 19 0.098 -9.113 -0.751 1.00 0.31 H new ATOM 0 HG3 PRO A 19 -0.845 -9.581 0.650 1.00 0.31 H new ATOM 0 HD2 PRO A 19 0.775 -7.092 0.216 1.00 0.29 H new ATOM 0 HD3 PRO A 19 -0.691 -7.303 1.151 1.00 0.29 H new ATOM 313 N ILE A 20 3.171 -10.569 3.501 1.00 0.28 N ATOM 314 CA ILE A 20 4.522 -10.943 3.903 1.00 0.30 C ATOM 315 C ILE A 20 5.352 -11.349 2.679 1.00 0.29 C ATOM 316 O ILE A 20 6.550 -11.084 2.617 1.00 0.28 O ATOM 317 CB ILE A 20 4.494 -12.097 4.934 1.00 0.37 C ATOM 318 CG1 ILE A 20 5.904 -12.429 5.430 1.00 0.43 C ATOM 319 CG2 ILE A 20 3.823 -13.334 4.350 1.00 0.41 C ATOM 320 CD1 ILE A 20 6.468 -11.400 6.388 1.00 0.86 C ATOM 0 H ILE A 20 2.436 -11.120 3.944 1.00 0.28 H new ATOM 0 HA ILE A 20 4.986 -10.075 4.372 1.00 0.30 H new ATOM 0 HB ILE A 20 3.906 -11.763 5.789 1.00 0.37 H new ATOM 0 HG12 ILE A 20 5.887 -13.401 5.923 1.00 0.43 H new ATOM 0 HG13 ILE A 20 6.570 -12.518 4.572 1.00 0.43 H new ATOM 0 HG21 ILE A 20 3.816 -14.130 5.095 1.00 0.41 H new ATOM 0 HG22 ILE A 20 2.798 -13.093 4.067 1.00 0.41 H new ATOM 0 HG23 ILE A 20 4.374 -13.665 3.470 1.00 0.41 H new ATOM 0 HD11 ILE A 20 7.469 -11.701 6.697 1.00 0.86 H new ATOM 0 HD12 ILE A 20 6.518 -10.430 5.893 1.00 0.86 H new ATOM 0 HD13 ILE A 20 5.824 -11.327 7.264 1.00 0.86 H new ATOM 332 N GLU A 21 4.691 -11.945 1.685 1.00 0.32 N ATOM 333 CA GLU A 21 5.367 -12.381 0.468 1.00 0.33 C ATOM 334 C GLU A 21 5.739 -11.181 -0.392 1.00 0.29 C ATOM 335 O GLU A 21 6.683 -11.240 -1.171 1.00 0.29 O ATOM 336 CB GLU A 21 4.485 -13.339 -0.337 1.00 0.39 C ATOM 337 CG GLU A 21 3.286 -12.672 -0.995 1.00 0.50 C ATOM 338 CD GLU A 21 2.526 -13.602 -1.920 1.00 0.99 C ATOM 339 OE1 GLU A 21 2.961 -14.764 -2.092 1.00 1.49 O ATOM 340 OE2 GLU A 21 1.498 -13.172 -2.483 1.00 1.73 O ATOM 0 H GLU A 21 3.689 -12.135 1.701 1.00 0.32 H new ATOM 0 HA GLU A 21 6.275 -12.908 0.761 1.00 0.33 H new ATOM 0 HB2 GLU A 21 5.092 -13.814 -1.108 1.00 0.39 H new ATOM 0 HB3 GLU A 21 4.130 -14.131 0.323 1.00 0.39 H new ATOM 0 HG2 GLU A 21 2.611 -12.306 -0.222 1.00 0.50 H new ATOM 0 HG3 GLU A 21 3.625 -11.803 -1.560 1.00 0.50 H new ATOM 347 N LEU A 22 5.030 -10.076 -0.197 1.00 0.26 N ATOM 348 CA LEU A 22 5.233 -8.899 -1.018 1.00 0.24 C ATOM 349 C LEU A 22 6.396 -8.096 -0.485 1.00 0.21 C ATOM 350 O LEU A 22 7.299 -7.708 -1.227 1.00 0.22 O ATOM 351 CB LEU A 22 3.973 -8.044 -1.064 1.00 0.24 C ATOM 352 CG LEU A 22 2.878 -8.555 -1.992 1.00 0.31 C ATOM 353 CD1 LEU A 22 1.937 -7.427 -2.378 1.00 0.31 C ATOM 354 CD2 LEU A 22 3.487 -9.205 -3.225 1.00 0.44 C ATOM 0 H LEU A 22 4.313 -9.975 0.521 1.00 0.26 H new ATOM 0 HA LEU A 22 5.459 -9.220 -2.035 1.00 0.24 H new ATOM 0 HB2 LEU A 22 3.567 -7.969 -0.055 1.00 0.24 H new ATOM 0 HB3 LEU A 22 4.248 -7.036 -1.373 1.00 0.24 H new ATOM 0 HG LEU A 22 2.298 -9.311 -1.463 1.00 0.31 H new ATOM 0 HD11 LEU A 22 1.162 -7.811 -3.041 1.00 0.31 H new ATOM 0 HD12 LEU A 22 1.476 -7.015 -1.481 1.00 0.31 H new ATOM 0 HD13 LEU A 22 2.497 -6.645 -2.890 1.00 0.31 H new ATOM 0 HD21 LEU A 22 2.691 -9.565 -3.877 1.00 0.44 H new ATOM 0 HD22 LEU A 22 4.092 -8.474 -3.760 1.00 0.44 H new ATOM 0 HD23 LEU A 22 4.114 -10.043 -2.922 1.00 0.44 H new ATOM 366 N ARG A 23 6.403 -7.896 0.824 1.00 0.20 N ATOM 367 CA ARG A 23 7.503 -7.204 1.467 1.00 0.19 C ATOM 368 C ARG A 23 8.758 -8.045 1.286 1.00 0.19 C ATOM 369 O ARG A 23 9.863 -7.526 1.155 1.00 0.20 O ATOM 370 CB ARG A 23 7.191 -6.963 2.953 1.00 0.22 C ATOM 371 CG ARG A 23 6.864 -8.225 3.738 1.00 0.32 C ATOM 372 CD ARG A 23 7.970 -8.577 4.716 1.00 0.63 C ATOM 373 NE ARG A 23 8.600 -9.861 4.405 1.00 0.95 N ATOM 374 CZ ARG A 23 9.903 -10.111 4.562 1.00 1.24 C ATOM 375 NH1 ARG A 23 10.741 -9.128 4.855 1.00 1.52 N ATOM 376 NH2 ARG A 23 10.373 -11.338 4.382 1.00 1.92 N ATOM 0 H ARG A 23 5.663 -8.202 1.456 1.00 0.20 H new ATOM 0 HA ARG A 23 7.656 -6.225 1.014 1.00 0.19 H new ATOM 0 HB2 ARG A 23 8.047 -6.472 3.417 1.00 0.22 H new ATOM 0 HB3 ARG A 23 6.349 -6.274 3.028 1.00 0.22 H new ATOM 0 HG2 ARG A 23 5.929 -8.085 4.280 1.00 0.32 H new ATOM 0 HG3 ARG A 23 6.711 -9.054 3.047 1.00 0.32 H new ATOM 0 HD2 ARG A 23 8.726 -7.792 4.704 1.00 0.63 H new ATOM 0 HD3 ARG A 23 7.561 -8.611 5.726 1.00 0.63 H new ATOM 0 HE ARG A 23 8.008 -10.611 4.047 1.00 0.95 H new ATOM 0 HH11 ARG A 23 10.392 -8.175 4.962 1.00 1.52 H new ATOM 0 HH12 ARG A 23 11.735 -9.324 4.974 1.00 1.52 H new ATOM 0 HH21 ARG A 23 9.739 -12.094 4.123 1.00 1.92 H new ATOM 0 HH22 ARG A 23 11.368 -11.526 4.503 1.00 1.92 H new ATOM 390 N ARG A 24 8.552 -9.355 1.236 1.00 0.21 N ATOM 391 CA ARG A 24 9.602 -10.308 0.926 1.00 0.23 C ATOM 392 C ARG A 24 10.106 -10.144 -0.510 1.00 0.23 C ATOM 393 O ARG A 24 11.308 -10.260 -0.759 1.00 0.23 O ATOM 394 CB ARG A 24 9.076 -11.713 1.179 1.00 0.29 C ATOM 395 CG ARG A 24 9.918 -12.809 0.578 1.00 0.38 C ATOM 396 CD ARG A 24 9.301 -13.314 -0.719 1.00 0.90 C ATOM 397 NE ARG A 24 10.154 -14.289 -1.389 1.00 1.56 N ATOM 398 CZ ARG A 24 9.703 -15.231 -2.212 1.00 2.17 C ATOM 399 NH1 ARG A 24 8.398 -15.360 -2.432 1.00 2.19 N ATOM 400 NH2 ARG A 24 10.561 -16.041 -2.815 1.00 2.94 N ATOM 0 H ARG A 24 7.644 -9.786 1.411 1.00 0.21 H new ATOM 0 HA ARG A 24 10.459 -10.123 1.573 1.00 0.23 H new ATOM 0 HB2 ARG A 24 9.006 -11.874 2.255 1.00 0.29 H new ATOM 0 HB3 ARG A 24 8.065 -11.787 0.779 1.00 0.29 H new ATOM 0 HG2 ARG A 24 10.925 -12.437 0.387 1.00 0.38 H new ATOM 0 HG3 ARG A 24 10.011 -13.632 1.286 1.00 0.38 H new ATOM 0 HD2 ARG A 24 8.332 -13.766 -0.507 1.00 0.90 H new ATOM 0 HD3 ARG A 24 9.121 -12.471 -1.386 1.00 0.90 H new ATOM 0 HE ARG A 24 11.158 -14.246 -1.216 1.00 1.56 H new ATOM 0 HH11 ARG A 24 7.738 -14.735 -1.969 1.00 2.19 H new ATOM 0 HH12 ARG A 24 8.056 -16.084 -3.064 1.00 2.19 H new ATOM 0 HH21 ARG A 24 11.562 -15.940 -2.647 1.00 2.94 H new ATOM 0 HH22 ARG A 24 10.220 -16.765 -3.447 1.00 2.94 H new ATOM 414 N THR A 25 9.199 -9.866 -1.450 1.00 0.24 N ATOM 415 CA THR A 25 9.579 -9.602 -2.838 1.00 0.26 C ATOM 416 C THR A 25 10.493 -8.387 -2.918 1.00 0.23 C ATOM 417 O THR A 25 11.444 -8.346 -3.701 1.00 0.24 O ATOM 418 CB THR A 25 8.332 -9.334 -3.709 1.00 0.29 C ATOM 419 OG1 THR A 25 7.464 -10.472 -3.688 1.00 0.34 O ATOM 420 CG2 THR A 25 8.717 -9.011 -5.146 1.00 0.33 C ATOM 0 H THR A 25 8.195 -9.818 -1.274 1.00 0.24 H new ATOM 0 HA THR A 25 10.100 -10.485 -3.209 1.00 0.26 H new ATOM 0 HB THR A 25 7.814 -8.470 -3.292 1.00 0.29 H new ATOM 0 HG1 THR A 25 7.179 -10.649 -2.767 1.00 0.34 H new ATOM 0 HG21 THR A 25 7.816 -8.828 -5.732 1.00 0.33 H new ATOM 0 HG22 THR A 25 9.348 -8.122 -5.163 1.00 0.33 H new ATOM 0 HG23 THR A 25 9.263 -9.852 -5.574 1.00 0.33 H new ATOM 428 N LEU A 26 10.216 -7.410 -2.070 1.00 0.20 N ATOM 429 CA LEU A 26 10.943 -6.152 -2.094 1.00 0.20 C ATOM 430 C LEU A 26 12.162 -6.247 -1.191 1.00 0.20 C ATOM 431 O LEU A 26 13.032 -5.373 -1.195 1.00 0.22 O ATOM 432 CB LEU A 26 10.043 -5.013 -1.613 1.00 0.20 C ATOM 433 CG LEU A 26 8.553 -5.206 -1.882 1.00 0.21 C ATOM 434 CD1 LEU A 26 7.756 -4.079 -1.268 1.00 0.22 C ATOM 435 CD2 LEU A 26 8.270 -5.333 -3.376 1.00 0.26 C ATOM 0 H LEU A 26 9.491 -7.465 -1.355 1.00 0.20 H new ATOM 0 HA LEU A 26 11.260 -5.949 -3.117 1.00 0.20 H new ATOM 0 HB2 LEU A 26 10.189 -4.884 -0.541 1.00 0.20 H new ATOM 0 HB3 LEU A 26 10.366 -4.089 -2.092 1.00 0.20 H new ATOM 0 HG LEU A 26 8.242 -6.139 -1.413 1.00 0.21 H new ATOM 0 HD11 LEU A 26 6.696 -4.232 -1.469 1.00 0.22 H new ATOM 0 HD12 LEU A 26 7.922 -4.060 -0.191 1.00 0.22 H new ATOM 0 HD13 LEU A 26 8.074 -3.130 -1.701 1.00 0.22 H new ATOM 0 HD21 LEU A 26 7.200 -5.469 -3.533 1.00 0.26 H new ATOM 0 HD22 LEU A 26 8.600 -4.428 -3.887 1.00 0.26 H new ATOM 0 HD23 LEU A 26 8.808 -6.192 -3.776 1.00 0.26 H new ATOM 447 N GLY A 27 12.222 -7.334 -0.434 1.00 0.20 N ATOM 448 CA GLY A 27 13.242 -7.494 0.581 1.00 0.23 C ATOM 449 C GLY A 27 13.163 -6.417 1.644 1.00 0.24 C ATOM 450 O GLY A 27 14.175 -6.039 2.231 1.00 0.28 O ATOM 0 H GLY A 27 11.573 -8.117 -0.508 1.00 0.20 H new ATOM 0 HA2 GLY A 27 13.137 -8.473 1.049 1.00 0.23 H new ATOM 0 HA3 GLY A 27 14.226 -7.469 0.113 1.00 0.23 H new ATOM 454 N ILE A 28 11.957 -5.911 1.878 1.00 0.24 N ATOM 455 CA ILE A 28 11.745 -4.890 2.884 1.00 0.25 C ATOM 456 C ILE A 28 10.972 -5.440 4.066 1.00 0.22 C ATOM 457 O ILE A 28 10.384 -6.522 3.997 1.00 0.22 O ATOM 458 CB ILE A 28 10.957 -3.681 2.349 1.00 0.31 C ATOM 459 CG1 ILE A 28 9.535 -4.098 1.974 1.00 0.32 C ATOM 460 CG2 ILE A 28 11.669 -3.059 1.161 1.00 0.37 C ATOM 461 CD1 ILE A 28 8.543 -2.958 2.050 1.00 0.43 C ATOM 0 H ILE A 28 11.113 -6.195 1.381 1.00 0.24 H new ATOM 0 HA ILE A 28 12.743 -4.569 3.183 1.00 0.25 H new ATOM 0 HB ILE A 28 10.898 -2.930 3.137 1.00 0.31 H new ATOM 0 HG12 ILE A 28 9.537 -4.504 0.962 1.00 0.32 H new ATOM 0 HG13 ILE A 28 9.211 -4.899 2.638 1.00 0.32 H new ATOM 0 HG21 ILE A 28 11.095 -2.206 0.798 1.00 0.37 H new ATOM 0 HG22 ILE A 28 12.661 -2.726 1.465 1.00 0.37 H new ATOM 0 HG23 ILE A 28 11.763 -3.798 0.365 1.00 0.37 H new ATOM 0 HD11 ILE A 28 7.553 -3.318 1.772 1.00 0.43 H new ATOM 0 HD12 ILE A 28 8.515 -2.567 3.067 1.00 0.43 H new ATOM 0 HD13 ILE A 28 8.846 -2.166 1.365 1.00 0.43 H new ATOM 473 N ALA A 29 10.964 -4.661 5.131 1.00 0.22 N ATOM 474 CA ALA A 29 10.202 -4.958 6.328 1.00 0.23 C ATOM 475 C ALA A 29 10.415 -3.862 7.335 1.00 0.23 C ATOM 476 O ALA A 29 11.428 -3.176 7.288 1.00 0.26 O ATOM 477 CB ALA A 29 10.604 -6.302 6.924 1.00 0.25 C ATOM 0 H ALA A 29 11.494 -3.792 5.189 1.00 0.22 H new ATOM 0 HA ALA A 29 9.147 -5.017 6.062 1.00 0.23 H new ATOM 0 HB1 ALA A 29 10.014 -6.494 7.820 1.00 0.25 H new ATOM 0 HB2 ALA A 29 10.424 -7.092 6.195 1.00 0.25 H new ATOM 0 HB3 ALA A 29 11.662 -6.283 7.184 1.00 0.25 H new ATOM 483 N GLU A 30 9.440 -3.704 8.222 1.00 0.25 N ATOM 484 CA GLU A 30 9.527 -2.824 9.382 1.00 0.28 C ATOM 485 C GLU A 30 10.267 -1.501 9.136 1.00 0.30 C ATOM 486 O GLU A 30 9.659 -0.505 8.754 1.00 0.32 O ATOM 487 CB GLU A 30 10.153 -3.590 10.553 1.00 0.32 C ATOM 488 CG GLU A 30 11.205 -4.607 10.124 1.00 0.35 C ATOM 489 CD GLU A 30 11.898 -5.284 11.281 1.00 0.49 C ATOM 490 OE1 GLU A 30 11.208 -5.912 12.106 1.00 1.22 O ATOM 491 OE2 GLU A 30 13.140 -5.191 11.362 1.00 1.10 O ATOM 0 H GLU A 30 8.548 -4.194 8.154 1.00 0.25 H new ATOM 0 HA GLU A 30 8.505 -2.527 9.618 1.00 0.28 H new ATOM 0 HB2 GLU A 30 10.608 -2.877 11.241 1.00 0.32 H new ATOM 0 HB3 GLU A 30 9.365 -4.105 11.102 1.00 0.32 H new ATOM 0 HG2 GLU A 30 10.732 -5.366 9.500 1.00 0.35 H new ATOM 0 HG3 GLU A 30 11.951 -4.107 9.507 1.00 0.35 H new ATOM 498 N LYS A 31 11.581 -1.510 9.345 1.00 0.32 N ATOM 499 CA LYS A 31 12.392 -0.297 9.311 1.00 0.38 C ATOM 500 C LYS A 31 12.755 0.125 7.885 1.00 0.35 C ATOM 501 O LYS A 31 13.514 1.077 7.690 1.00 0.40 O ATOM 502 CB LYS A 31 13.669 -0.502 10.111 1.00 0.47 C ATOM 503 CG LYS A 31 13.439 -0.999 11.526 1.00 0.57 C ATOM 504 CD LYS A 31 12.654 0.011 12.339 1.00 0.67 C ATOM 505 CE LYS A 31 11.204 -0.413 12.505 1.00 0.67 C ATOM 506 NZ LYS A 31 10.445 0.519 13.379 1.00 0.85 N ATOM 0 H LYS A 31 12.113 -2.358 9.542 1.00 0.32 H new ATOM 0 HA LYS A 31 11.791 0.499 9.752 1.00 0.38 H new ATOM 0 HB2 LYS A 31 14.304 -1.215 9.585 1.00 0.47 H new ATOM 0 HB3 LYS A 31 14.215 0.441 10.152 1.00 0.47 H new ATOM 0 HG2 LYS A 31 12.900 -1.946 11.499 1.00 0.57 H new ATOM 0 HG3 LYS A 31 14.398 -1.191 12.007 1.00 0.57 H new ATOM 0 HD2 LYS A 31 13.115 0.127 13.320 1.00 0.67 H new ATOM 0 HD3 LYS A 31 12.696 0.984 11.850 1.00 0.67 H new ATOM 0 HE2 LYS A 31 10.727 -0.461 11.526 1.00 0.67 H new ATOM 0 HE3 LYS A 31 11.167 -1.417 12.928 1.00 0.67 H new ATOM 0 HZ1 LYS A 31 9.462 0.192 13.464 1.00 0.85 H new ATOM 0 HZ2 LYS A 31 10.884 0.546 14.321 1.00 0.85 H new ATOM 0 HZ3 LYS A 31 10.458 1.472 12.964 1.00 0.85 H new ATOM 520 N ASP A 32 12.223 -0.569 6.891 1.00 0.27 N ATOM 521 CA ASP A 32 12.543 -0.266 5.503 1.00 0.24 C ATOM 522 C ASP A 32 11.604 0.798 4.963 1.00 0.22 C ATOM 523 O ASP A 32 10.650 1.199 5.635 1.00 0.23 O ATOM 524 CB ASP A 32 12.478 -1.519 4.623 1.00 0.23 C ATOM 525 CG ASP A 32 13.725 -2.380 4.714 1.00 0.55 C ATOM 526 OD1 ASP A 32 13.795 -3.244 5.609 1.00 1.54 O ATOM 527 OD2 ASP A 32 14.640 -2.201 3.880 1.00 0.94 O ATOM 0 H ASP A 32 11.570 -1.343 7.017 1.00 0.27 H new ATOM 0 HA ASP A 32 13.565 0.111 5.476 1.00 0.24 H new ATOM 0 HB2 ASP A 32 11.612 -2.114 4.913 1.00 0.23 H new ATOM 0 HB3 ASP A 32 12.326 -1.219 3.586 1.00 0.23 H new ATOM 532 N ALA A 33 11.887 1.266 3.761 1.00 0.21 N ATOM 533 CA ALA A 33 11.078 2.296 3.141 1.00 0.20 C ATOM 534 C ALA A 33 10.421 1.801 1.863 1.00 0.20 C ATOM 535 O ALA A 33 10.950 0.935 1.164 1.00 0.21 O ATOM 536 CB ALA A 33 11.931 3.521 2.861 1.00 0.23 C ATOM 0 H ALA A 33 12.673 0.947 3.195 1.00 0.21 H new ATOM 0 HA ALA A 33 10.280 2.563 3.834 1.00 0.20 H new ATOM 0 HB1 ALA A 33 11.318 4.292 2.395 1.00 0.23 H new ATOM 0 HB2 ALA A 33 12.342 3.900 3.797 1.00 0.23 H new ATOM 0 HB3 ALA A 33 12.746 3.251 2.190 1.00 0.23 H new ATOM 542 N LEU A 34 9.253 2.343 1.582 1.00 0.20 N ATOM 543 CA LEU A 34 8.527 2.050 0.374 1.00 0.20 C ATOM 544 C LEU A 34 8.207 3.367 -0.312 1.00 0.20 C ATOM 545 O LEU A 34 8.043 4.392 0.350 1.00 0.22 O ATOM 546 CB LEU A 34 7.242 1.316 0.736 1.00 0.23 C ATOM 547 CG LEU A 34 6.611 0.493 -0.383 1.00 0.46 C ATOM 548 CD1 LEU A 34 7.555 -0.604 -0.838 1.00 1.15 C ATOM 549 CD2 LEU A 34 5.295 -0.100 0.085 1.00 0.67 C ATOM 0 H LEU A 34 8.780 3.006 2.196 1.00 0.20 H new ATOM 0 HA LEU A 34 9.115 1.421 -0.294 1.00 0.20 H new ATOM 0 HB2 LEU A 34 7.448 0.654 1.577 1.00 0.23 H new ATOM 0 HB3 LEU A 34 6.511 2.049 1.079 1.00 0.23 H new ATOM 0 HG LEU A 34 6.418 1.150 -1.231 1.00 0.46 H new ATOM 0 HD11 LEU A 34 7.086 -1.179 -1.636 1.00 1.15 H new ATOM 0 HD12 LEU A 34 8.479 -0.159 -1.206 1.00 1.15 H new ATOM 0 HD13 LEU A 34 7.778 -1.263 0.001 1.00 1.15 H new ATOM 0 HD21 LEU A 34 4.853 -0.686 -0.721 1.00 0.67 H new ATOM 0 HD22 LEU A 34 5.472 -0.744 0.946 1.00 0.67 H new ATOM 0 HD23 LEU A 34 4.614 0.703 0.366 1.00 0.67 H new ATOM 561 N GLU A 35 8.134 3.340 -1.618 1.00 0.19 N ATOM 562 CA GLU A 35 7.892 4.529 -2.402 1.00 0.21 C ATOM 563 C GLU A 35 6.470 4.509 -2.958 1.00 0.20 C ATOM 564 O GLU A 35 6.156 3.756 -3.883 1.00 0.21 O ATOM 565 CB GLU A 35 8.908 4.621 -3.533 1.00 0.25 C ATOM 566 CG GLU A 35 9.125 6.035 -4.011 1.00 0.59 C ATOM 567 CD GLU A 35 10.152 6.125 -5.117 1.00 0.56 C ATOM 568 OE1 GLU A 35 9.776 5.976 -6.300 1.00 1.19 O ATOM 569 OE2 GLU A 35 11.341 6.353 -4.812 1.00 1.28 O ATOM 0 H GLU A 35 8.241 2.490 -2.172 1.00 0.19 H new ATOM 0 HA GLU A 35 8.001 5.406 -1.764 1.00 0.21 H new ATOM 0 HB2 GLU A 35 9.858 4.206 -3.196 1.00 0.25 H new ATOM 0 HB3 GLU A 35 8.571 4.008 -4.369 1.00 0.25 H new ATOM 0 HG2 GLU A 35 8.179 6.444 -4.365 1.00 0.59 H new ATOM 0 HG3 GLU A 35 9.445 6.653 -3.172 1.00 0.59 H new ATOM 576 N ILE A 36 5.618 5.334 -2.374 1.00 0.21 N ATOM 577 CA ILE A 36 4.198 5.343 -2.692 1.00 0.23 C ATOM 578 C ILE A 36 3.875 6.385 -3.764 1.00 0.25 C ATOM 579 O ILE A 36 4.208 7.565 -3.633 1.00 0.27 O ATOM 580 CB ILE A 36 3.346 5.618 -1.422 1.00 0.26 C ATOM 581 CG1 ILE A 36 3.212 4.366 -0.549 1.00 0.25 C ATOM 582 CG2 ILE A 36 1.959 6.140 -1.784 1.00 0.29 C ATOM 583 CD1 ILE A 36 4.525 3.806 -0.067 1.00 0.25 C ATOM 0 H ILE A 36 5.890 6.017 -1.666 1.00 0.21 H new ATOM 0 HA ILE A 36 3.947 4.356 -3.080 1.00 0.23 H new ATOM 0 HB ILE A 36 3.873 6.384 -0.852 1.00 0.26 H new ATOM 0 HG12 ILE A 36 2.592 4.604 0.315 1.00 0.25 H new ATOM 0 HG13 ILE A 36 2.687 3.596 -1.115 1.00 0.25 H new ATOM 0 HG21 ILE A 36 1.389 6.322 -0.873 1.00 0.29 H new ATOM 0 HG22 ILE A 36 2.055 7.070 -2.344 1.00 0.29 H new ATOM 0 HG23 ILE A 36 1.440 5.401 -2.395 1.00 0.29 H new ATOM 0 HD11 ILE A 36 4.341 2.922 0.544 1.00 0.25 H new ATOM 0 HD12 ILE A 36 5.141 3.534 -0.924 1.00 0.25 H new ATOM 0 HD13 ILE A 36 5.044 4.557 0.529 1.00 0.25 H new ATOM 595 N TYR A 37 3.234 5.929 -4.823 1.00 0.25 N ATOM 596 CA TYR A 37 2.772 6.794 -5.895 1.00 0.24 C ATOM 597 C TYR A 37 1.283 6.552 -6.142 1.00 0.19 C ATOM 598 O TYR A 37 0.742 5.527 -5.730 1.00 0.22 O ATOM 599 CB TYR A 37 3.643 6.567 -7.146 1.00 0.31 C ATOM 600 CG TYR A 37 2.957 6.708 -8.493 1.00 1.10 C ATOM 601 CD1 TYR A 37 2.365 5.612 -9.111 1.00 2.03 C ATOM 602 CD2 TYR A 37 2.932 7.924 -9.161 1.00 1.91 C ATOM 603 CE1 TYR A 37 1.759 5.728 -10.347 1.00 2.97 C ATOM 604 CE2 TYR A 37 2.331 8.048 -10.401 1.00 2.86 C ATOM 605 CZ TYR A 37 1.746 6.945 -10.989 1.00 3.23 C ATOM 606 OH TYR A 37 1.152 7.060 -12.225 1.00 4.30 O ATOM 0 H TYR A 37 3.017 4.943 -4.966 1.00 0.25 H new ATOM 0 HA TYR A 37 2.878 7.844 -5.621 1.00 0.24 H new ATOM 0 HB2 TYR A 37 4.475 7.271 -7.113 1.00 0.31 H new ATOM 0 HB3 TYR A 37 4.070 5.566 -7.085 1.00 0.31 H new ATOM 0 HD1 TYR A 37 2.379 4.652 -8.616 1.00 2.03 H new ATOM 0 HD2 TYR A 37 3.390 8.789 -8.705 1.00 1.91 H new ATOM 0 HE1 TYR A 37 1.297 4.867 -10.807 1.00 2.97 H new ATOM 0 HE2 TYR A 37 2.320 9.003 -10.906 1.00 2.86 H new ATOM 0 HH TYR A 37 0.337 6.516 -12.248 1.00 4.30 H new ATOM 616 N VAL A 38 0.621 7.495 -6.790 1.00 0.21 N ATOM 617 CA VAL A 38 -0.818 7.401 -6.977 1.00 0.19 C ATOM 618 C VAL A 38 -1.167 7.327 -8.457 1.00 0.20 C ATOM 619 O VAL A 38 -0.579 8.029 -9.280 1.00 0.25 O ATOM 620 CB VAL A 38 -1.567 8.581 -6.323 1.00 0.21 C ATOM 621 CG1 VAL A 38 -1.230 9.902 -6.999 1.00 0.26 C ATOM 622 CG2 VAL A 38 -3.061 8.307 -6.356 1.00 0.18 C ATOM 0 H VAL A 38 1.051 8.328 -7.193 1.00 0.21 H new ATOM 0 HA VAL A 38 -1.141 6.484 -6.484 1.00 0.19 H new ATOM 0 HB VAL A 38 -1.245 8.671 -5.286 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -1.776 10.710 -6.512 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -0.159 10.088 -6.920 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -1.513 9.855 -8.050 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -3.594 9.139 -5.895 1.00 0.18 H new ATOM 0 HG22 VAL A 38 -3.388 8.196 -7.390 1.00 0.18 H new ATOM 0 HG23 VAL A 38 -3.275 7.390 -5.807 1.00 0.18 H new ATOM 632 N ASP A 39 -2.121 6.475 -8.795 1.00 0.20 N ATOM 633 CA ASP A 39 -2.525 6.305 -10.179 1.00 0.24 C ATOM 634 C ASP A 39 -4.027 6.516 -10.307 1.00 0.26 C ATOM 635 O ASP A 39 -4.805 5.560 -10.306 1.00 0.30 O ATOM 636 CB ASP A 39 -2.121 4.921 -10.691 1.00 0.27 C ATOM 637 CG ASP A 39 -2.128 4.840 -12.202 1.00 0.40 C ATOM 638 OD1 ASP A 39 -1.370 5.606 -12.840 1.00 1.15 O ATOM 639 OD2 ASP A 39 -2.872 4.002 -12.757 1.00 1.07 O ATOM 0 H ASP A 39 -2.629 5.892 -8.130 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.016 7.049 -10.792 1.00 0.24 H new ATOM 0 HB2 ASP A 39 -1.125 4.676 -10.321 1.00 0.27 H new ATOM 0 HB3 ASP A 39 -2.804 4.174 -10.287 1.00 0.27 H new ATOM 644 N ASP A 40 -4.406 7.791 -10.378 1.00 0.32 N ATOM 645 CA ASP A 40 -5.806 8.238 -10.394 1.00 0.39 C ATOM 646 C ASP A 40 -6.553 7.774 -9.151 1.00 0.34 C ATOM 647 O ASP A 40 -6.697 8.525 -8.184 1.00 0.41 O ATOM 648 CB ASP A 40 -6.561 7.756 -11.637 1.00 0.54 C ATOM 649 CG ASP A 40 -7.637 8.741 -12.059 1.00 0.97 C ATOM 650 OD1 ASP A 40 -8.664 8.857 -11.356 1.00 1.83 O ATOM 651 OD2 ASP A 40 -7.455 9.417 -13.092 1.00 1.41 O ATOM 0 H ASP A 40 -3.739 8.561 -10.427 1.00 0.32 H new ATOM 0 HA ASP A 40 -5.770 9.327 -10.413 1.00 0.39 H new ATOM 0 HB2 ASP A 40 -5.857 7.613 -12.457 1.00 0.54 H new ATOM 0 HB3 ASP A 40 -7.015 6.786 -11.433 1.00 0.54 H new ATOM 656 N GLU A 41 -7.020 6.535 -9.187 1.00 0.38 N ATOM 657 CA GLU A 41 -7.821 5.983 -8.111 1.00 0.49 C ATOM 658 C GLU A 41 -7.086 4.851 -7.409 1.00 0.42 C ATOM 659 O GLU A 41 -7.418 4.494 -6.280 1.00 0.64 O ATOM 660 CB GLU A 41 -9.146 5.474 -8.668 1.00 0.71 C ATOM 661 CG GLU A 41 -9.822 6.471 -9.588 1.00 1.19 C ATOM 662 CD GLU A 41 -11.171 5.990 -10.076 1.00 1.86 C ATOM 663 OE1 GLU A 41 -11.223 5.314 -11.124 1.00 2.54 O ATOM 664 OE2 GLU A 41 -12.188 6.297 -9.414 1.00 2.28 O ATOM 0 H GLU A 41 -6.854 5.889 -9.959 1.00 0.38 H new ATOM 0 HA GLU A 41 -8.009 6.771 -7.382 1.00 0.49 H new ATOM 0 HB2 GLU A 41 -8.973 4.545 -9.212 1.00 0.71 H new ATOM 0 HB3 GLU A 41 -9.816 5.239 -7.841 1.00 0.71 H new ATOM 0 HG2 GLU A 41 -9.946 7.418 -9.063 1.00 1.19 H new ATOM 0 HG3 GLU A 41 -9.177 6.664 -10.445 1.00 1.19 H new ATOM 671 N LYS A 42 -6.089 4.278 -8.073 1.00 0.26 N ATOM 672 CA LYS A 42 -5.329 3.187 -7.482 1.00 0.26 C ATOM 673 C LYS A 42 -4.106 3.727 -6.766 1.00 0.18 C ATOM 674 O LYS A 42 -3.635 4.831 -7.055 1.00 0.18 O ATOM 675 CB LYS A 42 -4.856 2.187 -8.532 1.00 0.39 C ATOM 676 CG LYS A 42 -5.895 1.783 -9.561 1.00 0.78 C ATOM 677 CD LYS A 42 -5.298 1.809 -10.962 1.00 0.87 C ATOM 678 CE LYS A 42 -3.942 1.110 -11.016 1.00 0.55 C ATOM 679 NZ LYS A 42 -3.224 1.400 -12.287 1.00 0.81 N ATOM 0 H LYS A 42 -5.791 4.548 -9.011 1.00 0.26 H new ATOM 0 HA LYS A 42 -5.996 2.682 -6.783 1.00 0.26 H new ATOM 0 HB2 LYS A 42 -3.999 2.612 -9.054 1.00 0.39 H new ATOM 0 HB3 LYS A 42 -4.506 1.289 -8.022 1.00 0.39 H new ATOM 0 HG2 LYS A 42 -6.268 0.784 -9.337 1.00 0.78 H new ATOM 0 HG3 LYS A 42 -6.748 2.460 -9.510 1.00 0.78 H new ATOM 0 HD2 LYS A 42 -5.984 1.325 -11.658 1.00 0.87 H new ATOM 0 HD3 LYS A 42 -5.187 2.842 -11.290 1.00 0.87 H new ATOM 0 HE2 LYS A 42 -3.332 1.432 -10.172 1.00 0.55 H new ATOM 0 HE3 LYS A 42 -4.083 0.034 -10.915 1.00 0.55 H new ATOM 0 HZ1 LYS A 42 -2.496 0.675 -12.448 1.00 0.81 H new ATOM 0 HZ2 LYS A 42 -3.900 1.393 -13.077 1.00 0.81 H new ATOM 0 HZ3 LYS A 42 -2.773 2.335 -12.225 1.00 0.81 H new ATOM 693 N ILE A 43 -3.582 2.939 -5.852 1.00 0.16 N ATOM 694 CA ILE A 43 -2.361 3.283 -5.164 1.00 0.15 C ATOM 695 C ILE A 43 -1.247 2.350 -5.616 1.00 0.16 C ATOM 696 O ILE A 43 -1.439 1.136 -5.689 1.00 0.21 O ATOM 697 CB ILE A 43 -2.534 3.185 -3.642 1.00 0.21 C ATOM 698 CG1 ILE A 43 -3.816 3.901 -3.215 1.00 0.27 C ATOM 699 CG2 ILE A 43 -1.328 3.794 -2.949 1.00 0.26 C ATOM 700 CD1 ILE A 43 -4.170 3.698 -1.761 1.00 0.34 C ATOM 0 H ILE A 43 -3.989 2.048 -5.568 1.00 0.16 H new ATOM 0 HA ILE A 43 -2.106 4.314 -5.409 1.00 0.15 H new ATOM 0 HB ILE A 43 -2.611 2.136 -3.354 1.00 0.21 H new ATOM 0 HG12 ILE A 43 -3.707 4.968 -3.407 1.00 0.27 H new ATOM 0 HG13 ILE A 43 -4.642 3.548 -3.833 1.00 0.27 H new ATOM 0 HG21 ILE A 43 -1.455 3.723 -1.869 1.00 0.26 H new ATOM 0 HG22 ILE A 43 -0.428 3.256 -3.245 1.00 0.26 H new ATOM 0 HG23 ILE A 43 -1.235 4.842 -3.235 1.00 0.26 H new ATOM 0 HD11 ILE A 43 -5.090 4.235 -1.532 1.00 0.34 H new ATOM 0 HD12 ILE A 43 -4.312 2.635 -1.566 1.00 0.34 H new ATOM 0 HD13 ILE A 43 -3.363 4.077 -1.134 1.00 0.34 H new ATOM 712 N ILE A 44 -0.094 2.915 -5.924 1.00 0.14 N ATOM 713 CA ILE A 44 1.011 2.142 -6.477 1.00 0.16 C ATOM 714 C ILE A 44 2.223 2.260 -5.575 1.00 0.17 C ATOM 715 O ILE A 44 2.775 3.343 -5.421 1.00 0.20 O ATOM 716 CB ILE A 44 1.411 2.620 -7.893 1.00 0.16 C ATOM 717 CG1 ILE A 44 0.175 2.858 -8.772 1.00 0.17 C ATOM 718 CG2 ILE A 44 2.349 1.608 -8.550 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.694 1.636 -8.967 1.00 0.18 C ATOM 0 H ILE A 44 0.105 3.908 -5.802 1.00 0.14 H new ATOM 0 HA ILE A 44 0.673 1.108 -6.544 1.00 0.16 H new ATOM 0 HB ILE A 44 1.935 3.570 -7.791 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -0.427 3.650 -8.326 1.00 0.17 H new ATOM 0 HG13 ILE A 44 0.501 3.217 -9.748 1.00 0.17 H new ATOM 0 HG21 ILE A 44 2.622 1.958 -9.546 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.249 1.499 -7.944 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.846 0.644 -8.629 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.544 1.891 -9.599 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.111 0.847 -9.443 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -1.054 1.287 -7.999 1.00 0.18 H new ATOM 731 N LEU A 45 2.645 1.161 -4.983 1.00 0.18 N ATOM 732 CA LEU A 45 3.775 1.201 -4.075 1.00 0.18 C ATOM 733 C LEU A 45 4.930 0.415 -4.667 1.00 0.20 C ATOM 734 O LEU A 45 4.818 -0.780 -4.929 1.00 0.33 O ATOM 735 CB LEU A 45 3.432 0.611 -2.710 1.00 0.36 C ATOM 736 CG LEU A 45 1.958 0.634 -2.312 1.00 0.32 C ATOM 737 CD1 LEU A 45 1.764 -0.125 -1.015 1.00 1.30 C ATOM 738 CD2 LEU A 45 1.458 2.057 -2.166 1.00 1.10 C ATOM 0 H LEU A 45 2.229 0.239 -5.111 1.00 0.18 H new ATOM 0 HA LEU A 45 4.048 2.247 -3.938 1.00 0.18 H new ATOM 0 HB2 LEU A 45 3.776 -0.423 -2.689 1.00 0.36 H new ATOM 0 HB3 LEU A 45 3.999 1.151 -1.952 1.00 0.36 H new ATOM 0 HG LEU A 45 1.380 0.152 -3.100 1.00 0.32 H new ATOM 0 HD11 LEU A 45 0.711 -0.105 -0.736 1.00 1.30 H new ATOM 0 HD12 LEU A 45 2.085 -1.158 -1.147 1.00 1.30 H new ATOM 0 HD13 LEU A 45 2.357 0.342 -0.228 1.00 1.30 H new ATOM 0 HD21 LEU A 45 0.406 2.046 -1.882 1.00 1.10 H new ATOM 0 HD22 LEU A 45 2.036 2.569 -1.396 1.00 1.10 H new ATOM 0 HD23 LEU A 45 1.572 2.582 -3.114 1.00 1.10 H new ATOM 750 N LYS A 46 6.022 1.096 -4.896 1.00 0.19 N ATOM 751 CA LYS A 46 7.250 0.464 -5.320 1.00 0.29 C ATOM 752 C LYS A 46 8.236 0.607 -4.189 1.00 0.32 C ATOM 753 O LYS A 46 8.151 1.562 -3.449 1.00 0.54 O ATOM 754 CB LYS A 46 7.773 1.160 -6.576 1.00 0.38 C ATOM 755 CG LYS A 46 9.104 0.640 -7.082 1.00 0.85 C ATOM 756 CD LYS A 46 9.699 1.620 -8.068 1.00 1.00 C ATOM 757 CE LYS A 46 10.129 2.891 -7.353 1.00 1.15 C ATOM 758 NZ LYS A 46 10.543 3.963 -8.295 1.00 1.41 N ATOM 0 H LYS A 46 6.088 2.109 -4.794 1.00 0.19 H new ATOM 0 HA LYS A 46 7.094 -0.589 -5.557 1.00 0.29 H new ATOM 0 HB2 LYS A 46 7.032 1.054 -7.369 1.00 0.38 H new ATOM 0 HB3 LYS A 46 7.870 2.226 -6.370 1.00 0.38 H new ATOM 0 HG2 LYS A 46 9.788 0.492 -6.246 1.00 0.85 H new ATOM 0 HG3 LYS A 46 8.968 -0.331 -7.558 1.00 0.85 H new ATOM 0 HD2 LYS A 46 10.556 1.168 -8.568 1.00 1.00 H new ATOM 0 HD3 LYS A 46 8.968 1.859 -8.840 1.00 1.00 H new ATOM 0 HE2 LYS A 46 9.307 3.252 -6.736 1.00 1.15 H new ATOM 0 HE3 LYS A 46 10.956 2.663 -6.681 1.00 1.15 H new ATOM 0 HZ1 LYS A 46 10.387 4.892 -7.854 1.00 1.41 H new ATOM 0 HZ2 LYS A 46 11.551 3.853 -8.524 1.00 1.41 H new ATOM 0 HZ3 LYS A 46 9.980 3.895 -9.167 1.00 1.41 H new ATOM 772 N LYS A 47 9.134 -0.336 -4.021 1.00 0.27 N ATOM 773 CA LYS A 47 10.177 -0.190 -3.012 1.00 0.28 C ATOM 774 C LYS A 47 10.957 1.098 -3.268 1.00 0.29 C ATOM 775 O LYS A 47 11.074 1.539 -4.415 1.00 0.34 O ATOM 776 CB LYS A 47 11.123 -1.391 -3.044 1.00 0.39 C ATOM 777 CG LYS A 47 12.279 -1.262 -2.069 1.00 1.26 C ATOM 778 CD LYS A 47 13.247 -2.428 -2.174 1.00 1.27 C ATOM 779 CE LYS A 47 14.336 -2.328 -1.117 1.00 2.37 C ATOM 780 NZ LYS A 47 15.192 -3.542 -1.074 1.00 2.68 N ATOM 0 H LYS A 47 9.171 -1.203 -4.557 1.00 0.27 H new ATOM 0 HA LYS A 47 9.713 -0.143 -2.027 1.00 0.28 H new ATOM 0 HB2 LYS A 47 10.560 -2.296 -2.814 1.00 0.39 H new ATOM 0 HB3 LYS A 47 11.518 -1.509 -4.053 1.00 0.39 H new ATOM 0 HG2 LYS A 47 12.812 -0.331 -2.260 1.00 1.26 H new ATOM 0 HG3 LYS A 47 11.891 -1.204 -1.052 1.00 1.26 H new ATOM 0 HD2 LYS A 47 12.706 -3.367 -2.056 1.00 1.27 H new ATOM 0 HD3 LYS A 47 13.698 -2.443 -3.166 1.00 1.27 H new ATOM 0 HE2 LYS A 47 14.957 -1.455 -1.319 1.00 2.37 H new ATOM 0 HE3 LYS A 47 13.878 -2.174 -0.140 1.00 2.37 H new ATOM 0 HZ1 LYS A 47 15.758 -3.537 -0.201 1.00 2.68 H new ATOM 0 HZ2 LYS A 47 14.592 -4.391 -1.093 1.00 2.68 H new ATOM 0 HZ3 LYS A 47 15.827 -3.549 -1.898 1.00 2.68 H new ATOM 794 N TYR A 48 11.475 1.710 -2.204 1.00 0.32 N ATOM 795 CA TYR A 48 12.285 2.902 -2.349 1.00 0.41 C ATOM 796 C TYR A 48 13.484 2.564 -3.223 1.00 0.53 C ATOM 797 O TYR A 48 13.981 1.435 -3.184 1.00 0.60 O ATOM 798 CB TYR A 48 12.753 3.407 -0.968 1.00 0.48 C ATOM 799 CG TYR A 48 13.907 2.619 -0.378 1.00 1.10 C ATOM 800 CD1 TYR A 48 13.694 1.393 0.235 1.00 1.68 C ATOM 801 CD2 TYR A 48 15.208 3.104 -0.437 1.00 2.02 C ATOM 802 CE1 TYR A 48 14.738 0.672 0.774 1.00 2.40 C ATOM 803 CE2 TYR A 48 16.260 2.387 0.101 1.00 2.71 C ATOM 804 CZ TYR A 48 16.019 1.171 0.703 1.00 2.72 C ATOM 805 OH TYR A 48 17.061 0.448 1.238 1.00 3.55 O ATOM 0 H TYR A 48 11.345 1.397 -1.242 1.00 0.32 H new ATOM 0 HA TYR A 48 11.698 3.694 -2.813 1.00 0.41 H new ATOM 0 HB2 TYR A 48 13.049 4.452 -1.057 1.00 0.48 H new ATOM 0 HB3 TYR A 48 11.912 3.371 -0.276 1.00 0.48 H new ATOM 0 HD1 TYR A 48 12.691 0.996 0.291 1.00 1.68 H new ATOM 0 HD2 TYR A 48 15.400 4.056 -0.910 1.00 2.02 H new ATOM 0 HE1 TYR A 48 14.552 -0.280 1.250 1.00 2.40 H new ATOM 0 HE2 TYR A 48 17.266 2.778 0.050 1.00 2.71 H new ATOM 0 HH TYR A 48 17.900 0.936 1.105 1.00 3.55 H new ATOM 939 N SER B 3 1.283 12.510 -2.571 1.00 0.46 N ATOM 940 CA SER B 3 1.591 11.235 -3.192 1.00 0.38 C ATOM 941 C SER B 3 2.550 11.376 -4.370 1.00 0.36 C ATOM 942 O SER B 3 3.171 12.421 -4.573 1.00 0.41 O ATOM 943 CB SER B 3 0.283 10.622 -3.681 1.00 0.41 C ATOM 944 OG SER B 3 -0.620 10.472 -2.604 1.00 0.44 O ATOM 0 HA SER B 3 2.082 10.602 -2.453 1.00 0.38 H new ATOM 0 HB2 SER B 3 -0.159 11.256 -4.450 1.00 0.41 H new ATOM 0 HB3 SER B 3 0.477 9.653 -4.140 1.00 0.41 H new ATOM 0 HG SER B 3 -0.731 11.332 -2.148 1.00 0.44 H new ATOM 950 N THR B 4 2.655 10.293 -5.131 1.00 0.35 N ATOM 951 CA THR B 4 3.423 10.258 -6.361 1.00 0.35 C ATOM 952 C THR B 4 4.925 10.285 -6.092 1.00 0.34 C ATOM 953 O THR B 4 5.603 11.289 -6.317 1.00 0.40 O ATOM 954 CB THR B 4 3.020 11.401 -7.316 1.00 0.36 C ATOM 955 OG1 THR B 4 1.597 11.400 -7.480 1.00 0.35 O ATOM 956 CG2 THR B 4 3.680 11.231 -8.673 1.00 0.41 C ATOM 0 H THR B 4 2.203 9.407 -4.905 1.00 0.35 H new ATOM 0 HA THR B 4 3.189 9.313 -6.851 1.00 0.35 H new ATOM 0 HB THR B 4 3.350 12.346 -6.885 1.00 0.36 H new ATOM 0 HG1 THR B 4 1.337 12.126 -8.085 1.00 0.35 H new ATOM 0 HG21 THR B 4 3.380 12.049 -9.328 1.00 0.41 H new ATOM 0 HG22 THR B 4 4.763 11.239 -8.554 1.00 0.41 H new ATOM 0 HG23 THR B 4 3.371 10.282 -9.112 1.00 0.41 H new ATOM 964 N GLY B 5 5.421 9.182 -5.562 1.00 0.30 N ATOM 965 CA GLY B 5 6.841 9.024 -5.373 1.00 0.30 C ATOM 966 C GLY B 5 7.284 9.519 -4.020 1.00 0.29 C ATOM 967 O GLY B 5 8.345 10.133 -3.885 1.00 0.32 O ATOM 0 H GLY B 5 4.859 8.387 -5.257 1.00 0.30 H new ATOM 0 HA2 GLY B 5 7.107 7.972 -5.480 1.00 0.30 H new ATOM 0 HA3 GLY B 5 7.374 9.569 -6.152 1.00 0.30 H new ATOM 971 N ILE B 6 6.468 9.253 -3.015 1.00 0.28 N ATOM 972 CA ILE B 6 6.804 9.636 -1.659 1.00 0.29 C ATOM 973 C ILE B 6 7.268 8.413 -0.891 1.00 0.25 C ATOM 974 O ILE B 6 6.690 7.336 -1.010 1.00 0.24 O ATOM 975 CB ILE B 6 5.629 10.302 -0.907 1.00 0.35 C ATOM 976 CG1 ILE B 6 6.107 10.780 0.467 1.00 0.42 C ATOM 977 CG2 ILE B 6 4.446 9.350 -0.759 1.00 0.32 C ATOM 978 CD1 ILE B 6 7.069 11.942 0.400 1.00 0.52 C ATOM 0 H ILE B 6 5.572 8.775 -3.114 1.00 0.28 H new ATOM 0 HA ILE B 6 7.600 10.378 -1.725 1.00 0.29 H new ATOM 0 HB ILE B 6 5.287 11.156 -1.491 1.00 0.35 H new ATOM 0 HG12 ILE B 6 5.242 11.069 1.063 1.00 0.42 H new ATOM 0 HG13 ILE B 6 6.588 9.950 0.984 1.00 0.42 H new ATOM 0 HG21 ILE B 6 3.639 9.853 -0.226 1.00 0.32 H new ATOM 0 HG22 ILE B 6 4.096 9.049 -1.746 1.00 0.32 H new ATOM 0 HG23 ILE B 6 4.757 8.468 -0.199 1.00 0.32 H new ATOM 0 HD11 ILE B 6 7.366 12.228 1.409 1.00 0.52 H new ATOM 0 HD12 ILE B 6 7.952 11.651 -0.169 1.00 0.52 H new ATOM 0 HD13 ILE B 6 6.585 12.787 -0.089 1.00 0.52 H new ATOM 990 N VAL B 7 8.318 8.568 -0.118 1.00 0.25 N ATOM 991 CA VAL B 7 8.891 7.449 0.590 1.00 0.24 C ATOM 992 C VAL B 7 8.345 7.384 2.014 1.00 0.28 C ATOM 993 O VAL B 7 8.339 8.381 2.736 1.00 0.37 O ATOM 994 CB VAL B 7 10.434 7.529 0.589 1.00 0.25 C ATOM 995 CG1 VAL B 7 10.933 8.793 1.279 1.00 0.31 C ATOM 996 CG2 VAL B 7 11.027 6.292 1.225 1.00 0.30 C ATOM 0 H VAL B 7 8.792 9.458 0.036 1.00 0.25 H new ATOM 0 HA VAL B 7 8.606 6.532 0.074 1.00 0.24 H new ATOM 0 HB VAL B 7 10.765 7.577 -0.448 1.00 0.25 H new ATOM 0 HG11 VAL B 7 12.023 8.813 1.258 1.00 0.31 H new ATOM 0 HG12 VAL B 7 10.544 9.669 0.760 1.00 0.31 H new ATOM 0 HG13 VAL B 7 10.590 8.802 2.314 1.00 0.31 H new ATOM 0 HG21 VAL B 7 12.115 6.364 1.216 1.00 0.30 H new ATOM 0 HG22 VAL B 7 10.677 6.208 2.254 1.00 0.30 H new ATOM 0 HG23 VAL B 7 10.717 5.410 0.664 1.00 0.30 H new ATOM 1006 N ARG B 8 7.842 6.221 2.393 1.00 0.27 N ATOM 1007 CA ARG B 8 7.305 6.016 3.727 1.00 0.32 C ATOM 1008 C ARG B 8 7.975 4.822 4.388 1.00 0.27 C ATOM 1009 O ARG B 8 8.548 3.970 3.710 1.00 0.26 O ATOM 1010 CB ARG B 8 5.797 5.781 3.667 1.00 0.41 C ATOM 1011 CG ARG B 8 4.985 6.903 4.282 1.00 0.57 C ATOM 1012 CD ARG B 8 4.807 8.059 3.317 1.00 0.57 C ATOM 1013 NE ARG B 8 4.155 9.201 3.961 1.00 0.95 N ATOM 1014 CZ ARG B 8 2.835 9.346 4.085 1.00 0.89 C ATOM 1015 NH1 ARG B 8 2.013 8.387 3.676 1.00 1.74 N ATOM 1016 NH2 ARG B 8 2.340 10.436 4.655 1.00 1.09 N ATOM 0 H ARG B 8 7.795 5.399 1.790 1.00 0.27 H new ATOM 0 HA ARG B 8 7.504 6.912 4.314 1.00 0.32 H new ATOM 0 HB2 ARG B 8 5.498 5.655 2.626 1.00 0.41 H new ATOM 0 HB3 ARG B 8 5.562 4.849 4.181 1.00 0.41 H new ATOM 0 HG2 ARG B 8 4.008 6.524 4.580 1.00 0.57 H new ATOM 0 HG3 ARG B 8 5.479 7.257 5.187 1.00 0.57 H new ATOM 0 HD2 ARG B 8 5.779 8.364 2.930 1.00 0.57 H new ATOM 0 HD3 ARG B 8 4.213 7.733 2.463 1.00 0.57 H new ATOM 0 HE ARG B 8 4.751 9.936 4.341 1.00 0.95 H new ATOM 0 HH11 ARG B 8 2.390 7.533 3.264 1.00 1.74 H new ATOM 0 HH12 ARG B 8 1.004 8.504 3.774 1.00 1.74 H new ATOM 0 HH21 ARG B 8 2.969 11.162 4.998 1.00 1.09 H new ATOM 0 HH22 ARG B 8 1.331 10.548 4.750 1.00 1.09 H new ATOM 1030 N LYS B 9 7.896 4.768 5.706 1.00 0.30 N ATOM 1031 CA LYS B 9 8.416 3.637 6.459 1.00 0.27 C ATOM 1032 C LYS B 9 7.390 2.509 6.429 1.00 0.24 C ATOM 1033 O LYS B 9 6.206 2.757 6.187 1.00 0.26 O ATOM 1034 CB LYS B 9 8.693 4.055 7.910 1.00 0.30 C ATOM 1035 CG LYS B 9 9.430 3.008 8.734 1.00 1.23 C ATOM 1036 CD LYS B 9 10.876 3.410 8.987 1.00 0.97 C ATOM 1037 CE LYS B 9 11.652 3.598 7.691 1.00 0.69 C ATOM 1038 NZ LYS B 9 13.049 4.042 7.943 1.00 0.92 N ATOM 0 H LYS B 9 7.475 5.498 6.281 1.00 0.30 H new ATOM 0 HA LYS B 9 9.349 3.296 6.011 1.00 0.27 H new ATOM 0 HB2 LYS B 9 9.278 4.975 7.905 1.00 0.30 H new ATOM 0 HB3 LYS B 9 7.745 4.283 8.397 1.00 0.30 H new ATOM 0 HG2 LYS B 9 8.919 2.868 9.686 1.00 1.23 H new ATOM 0 HG3 LYS B 9 9.404 2.050 8.214 1.00 1.23 H new ATOM 0 HD2 LYS B 9 10.899 4.336 9.561 1.00 0.97 H new ATOM 0 HD3 LYS B 9 11.363 2.647 9.594 1.00 0.97 H new ATOM 0 HE2 LYS B 9 11.663 2.661 7.135 1.00 0.69 H new ATOM 0 HE3 LYS B 9 11.144 4.333 7.067 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 13.348 4.693 7.189 1.00 0.92 H new ATOM 0 HZ2 LYS B 9 13.098 4.529 8.861 1.00 0.92 H new ATOM 0 HZ3 LYS B 9 13.679 3.215 7.956 1.00 0.92 H new ATOM 1052 N VAL B 10 7.833 1.276 6.646 1.00 0.22 N ATOM 1053 CA VAL B 10 6.907 0.165 6.734 1.00 0.22 C ATOM 1054 C VAL B 10 6.215 0.182 8.096 1.00 0.24 C ATOM 1055 O VAL B 10 5.359 1.031 8.355 1.00 0.39 O ATOM 1056 CB VAL B 10 7.590 -1.211 6.524 1.00 0.23 C ATOM 1057 CG1 VAL B 10 6.559 -2.279 6.188 1.00 0.27 C ATOM 1058 CG2 VAL B 10 8.666 -1.144 5.452 1.00 0.22 C ATOM 0 H VAL B 10 8.815 1.027 6.762 1.00 0.22 H new ATOM 0 HA VAL B 10 6.182 0.292 5.930 1.00 0.22 H new ATOM 0 HB VAL B 10 8.076 -1.483 7.461 1.00 0.23 H new ATOM 0 HG11 VAL B 10 7.060 -3.236 6.045 1.00 0.27 H new ATOM 0 HG12 VAL B 10 5.843 -2.363 7.005 1.00 0.27 H new ATOM 0 HG13 VAL B 10 6.035 -2.003 5.273 1.00 0.27 H new ATOM 0 HG21 VAL B 10 9.122 -2.127 5.333 1.00 0.22 H new ATOM 0 HG22 VAL B 10 8.219 -0.834 4.507 1.00 0.22 H new ATOM 0 HG23 VAL B 10 9.429 -0.423 5.747 1.00 0.22 H new ATOM 1068 N ASP B 11 6.637 -0.722 8.975 1.00 0.23 N ATOM 1069 CA ASP B 11 6.053 -0.874 10.307 1.00 0.31 C ATOM 1070 C ASP B 11 6.600 -2.137 10.941 1.00 0.27 C ATOM 1071 O ASP B 11 7.419 -2.093 11.856 1.00 0.21 O ATOM 1072 CB ASP B 11 4.526 -0.966 10.239 1.00 0.64 C ATOM 1073 CG ASP B 11 3.881 -1.061 11.604 1.00 0.98 C ATOM 1074 OD1 ASP B 11 4.309 -0.329 12.522 1.00 1.39 O ATOM 1075 OD2 ASP B 11 2.946 -1.869 11.760 1.00 1.66 O ATOM 0 H ASP B 11 7.398 -1.374 8.784 1.00 0.23 H new ATOM 0 HA ASP B 11 6.315 0.001 10.902 1.00 0.31 H new ATOM 0 HB2 ASP B 11 4.137 -0.091 9.719 1.00 0.64 H new ATOM 0 HB3 ASP B 11 4.245 -1.838 9.649 1.00 0.64 H new ATOM 1080 N GLU B 12 6.155 -3.264 10.410 1.00 0.40 N ATOM 1081 CA GLU B 12 6.643 -4.566 10.824 1.00 0.54 C ATOM 1082 C GLU B 12 6.471 -5.571 9.700 1.00 0.46 C ATOM 1083 O GLU B 12 7.388 -5.801 8.908 1.00 0.52 O ATOM 1084 CB GLU B 12 5.918 -5.071 12.078 1.00 0.77 C ATOM 1085 CG GLU B 12 4.491 -4.573 12.214 1.00 0.87 C ATOM 1086 CD GLU B 12 3.780 -5.165 13.412 1.00 1.22 C ATOM 1087 OE1 GLU B 12 3.330 -6.323 13.320 1.00 1.91 O ATOM 1088 OE2 GLU B 12 3.672 -4.479 14.450 1.00 1.57 O ATOM 0 H GLU B 12 5.444 -3.300 9.679 1.00 0.40 H new ATOM 0 HA GLU B 12 7.701 -4.458 11.063 1.00 0.54 H new ATOM 0 HB2 GLU B 12 5.911 -6.161 12.066 1.00 0.77 H new ATOM 0 HB3 GLU B 12 6.483 -4.766 12.959 1.00 0.77 H new ATOM 0 HG2 GLU B 12 4.496 -3.486 12.299 1.00 0.87 H new ATOM 0 HG3 GLU B 12 3.936 -4.819 11.309 1.00 0.87 H new ATOM 1095 N LEU B 13 5.276 -6.123 9.613 1.00 0.39 N ATOM 1096 CA LEU B 13 4.992 -7.203 8.684 1.00 0.35 C ATOM 1097 C LEU B 13 4.652 -6.693 7.282 1.00 0.29 C ATOM 1098 O LEU B 13 4.794 -7.430 6.308 1.00 0.40 O ATOM 1099 CB LEU B 13 3.853 -8.075 9.226 1.00 0.40 C ATOM 1100 CG LEU B 13 2.431 -7.512 9.067 1.00 0.53 C ATOM 1101 CD1 LEU B 13 1.402 -8.577 9.412 1.00 0.64 C ATOM 1102 CD2 LEU B 13 2.219 -6.286 9.945 1.00 0.72 C ATOM 0 H LEU B 13 4.478 -5.838 10.180 1.00 0.39 H new ATOM 0 HA LEU B 13 5.898 -7.802 8.594 1.00 0.35 H new ATOM 0 HB2 LEU B 13 3.896 -9.043 8.727 1.00 0.40 H new ATOM 0 HB3 LEU B 13 4.034 -8.254 10.286 1.00 0.40 H new ATOM 0 HG LEU B 13 2.306 -7.212 8.027 1.00 0.53 H new ATOM 0 HD11 LEU B 13 0.399 -8.166 9.295 1.00 0.64 H new ATOM 0 HD12 LEU B 13 1.524 -9.430 8.745 1.00 0.64 H new ATOM 0 HD13 LEU B 13 1.544 -8.900 10.443 1.00 0.64 H new ATOM 0 HD21 LEU B 13 1.204 -5.912 9.809 1.00 0.72 H new ATOM 0 HD22 LEU B 13 2.369 -6.557 10.990 1.00 0.72 H new ATOM 0 HD23 LEU B 13 2.932 -5.510 9.665 1.00 0.72 H new ATOM 1114 N GLY B 14 4.211 -5.440 7.167 1.00 0.25 N ATOM 1115 CA GLY B 14 3.845 -4.929 5.859 1.00 0.24 C ATOM 1116 C GLY B 14 2.928 -3.729 5.906 1.00 0.22 C ATOM 1117 O GLY B 14 2.603 -3.171 4.868 1.00 0.31 O ATOM 0 H GLY B 14 4.103 -4.783 7.940 1.00 0.25 H new ATOM 0 HA2 GLY B 14 4.752 -4.660 5.318 1.00 0.24 H new ATOM 0 HA3 GLY B 14 3.359 -5.723 5.292 1.00 0.24 H new ATOM 1121 N ARG B 15 2.483 -3.334 7.090 1.00 0.17 N ATOM 1122 CA ARG B 15 1.610 -2.174 7.196 1.00 0.17 C ATOM 1123 C ARG B 15 2.338 -0.890 6.816 1.00 0.17 C ATOM 1124 O ARG B 15 3.051 -0.306 7.623 1.00 0.22 O ATOM 1125 CB ARG B 15 1.009 -2.048 8.595 1.00 0.20 C ATOM 1126 CG ARG B 15 -0.497 -2.062 8.561 1.00 0.23 C ATOM 1127 CD ARG B 15 -1.101 -2.029 9.946 1.00 0.25 C ATOM 1128 NE ARG B 15 -2.548 -2.215 9.897 1.00 0.42 N ATOM 1129 CZ ARG B 15 -3.214 -3.092 10.645 1.00 0.58 C ATOM 1130 NH1 ARG B 15 -2.567 -3.872 11.499 1.00 0.72 N ATOM 1131 NH2 ARG B 15 -4.528 -3.200 10.515 1.00 0.75 N ATOM 0 H ARG B 15 2.706 -3.789 7.975 1.00 0.17 H new ATOM 0 HA ARG B 15 0.795 -2.327 6.489 1.00 0.17 H new ATOM 0 HB2 ARG B 15 1.366 -2.867 9.219 1.00 0.20 H new ATOM 0 HB3 ARG B 15 1.353 -1.123 9.056 1.00 0.20 H new ATOM 0 HG2 ARG B 15 -0.854 -1.204 7.991 1.00 0.23 H new ATOM 0 HG3 ARG B 15 -0.838 -2.956 8.039 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.652 -2.810 10.560 1.00 0.25 H new ATOM 0 HD3 ARG B 15 -0.870 -1.077 10.423 1.00 0.25 H new ATOM 0 HE ARG B 15 -3.082 -1.637 9.249 1.00 0.42 H new ATOM 0 HH11 ARG B 15 -1.553 -3.802 11.586 1.00 0.72 H new ATOM 0 HH12 ARG B 15 -3.083 -4.542 12.069 1.00 0.72 H new ATOM 0 HH21 ARG B 15 -5.024 -2.613 9.844 1.00 0.75 H new ATOM 0 HH22 ARG B 15 -5.044 -3.870 11.085 1.00 0.75 H new ATOM 1145 N VAL B 16 2.165 -0.471 5.573 1.00 0.14 N ATOM 1146 CA VAL B 16 2.760 0.768 5.096 1.00 0.14 C ATOM 1147 C VAL B 16 1.770 1.917 5.225 1.00 0.16 C ATOM 1148 O VAL B 16 0.560 1.731 5.047 1.00 0.16 O ATOM 1149 CB VAL B 16 3.225 0.635 3.640 1.00 0.15 C ATOM 1150 CG1 VAL B 16 4.213 -0.503 3.548 1.00 1.04 C ATOM 1151 CG2 VAL B 16 2.045 0.412 2.704 1.00 0.96 C ATOM 0 H VAL B 16 1.616 -0.972 4.874 1.00 0.14 H new ATOM 0 HA VAL B 16 3.632 0.980 5.715 1.00 0.14 H new ATOM 0 HB VAL B 16 3.708 1.561 3.329 1.00 0.15 H new ATOM 0 HG11 VAL B 16 4.552 -0.608 2.517 1.00 1.04 H new ATOM 0 HG12 VAL B 16 5.068 -0.295 4.191 1.00 1.04 H new ATOM 0 HG13 VAL B 16 3.734 -1.428 3.869 1.00 1.04 H new ATOM 0 HG21 VAL B 16 2.405 0.322 1.679 1.00 0.96 H new ATOM 0 HG22 VAL B 16 1.524 -0.502 2.987 1.00 0.96 H new ATOM 0 HG23 VAL B 16 1.360 1.257 2.774 1.00 0.96 H new ATOM 1161 N VAL B 17 2.277 3.095 5.548 1.00 0.17 N ATOM 1162 CA VAL B 17 1.426 4.253 5.767 1.00 0.17 C ATOM 1163 C VAL B 17 1.039 4.909 4.442 1.00 0.18 C ATOM 1164 O VAL B 17 1.872 5.534 3.779 1.00 0.25 O ATOM 1165 CB VAL B 17 2.113 5.311 6.654 1.00 0.20 C ATOM 1166 CG1 VAL B 17 1.174 6.474 6.938 1.00 0.23 C ATOM 1167 CG2 VAL B 17 2.614 4.699 7.952 1.00 0.22 C ATOM 0 H VAL B 17 3.274 3.275 5.664 1.00 0.17 H new ATOM 0 HA VAL B 17 0.534 3.887 6.275 1.00 0.17 H new ATOM 0 HB VAL B 17 2.975 5.692 6.107 1.00 0.20 H new ATOM 0 HG11 VAL B 17 1.682 7.207 7.565 1.00 0.23 H new ATOM 0 HG12 VAL B 17 0.880 6.942 5.999 1.00 0.23 H new ATOM 0 HG13 VAL B 17 0.287 6.107 7.454 1.00 0.23 H new ATOM 0 HG21 VAL B 17 3.094 5.469 8.556 1.00 0.22 H new ATOM 0 HG22 VAL B 17 1.774 4.276 8.503 1.00 0.22 H new ATOM 0 HG23 VAL B 17 3.334 3.912 7.729 1.00 0.22 H new ATOM 1177 N ILE B 18 -0.216 4.751 4.049 1.00 0.16 N ATOM 1178 CA ILE B 18 -0.735 5.411 2.860 1.00 0.21 C ATOM 1179 C ILE B 18 -1.139 6.852 3.177 1.00 0.17 C ATOM 1180 O ILE B 18 -1.691 7.125 4.243 1.00 0.18 O ATOM 1181 CB ILE B 18 -1.947 4.646 2.280 1.00 0.30 C ATOM 1182 CG1 ILE B 18 -1.544 3.209 1.942 1.00 0.34 C ATOM 1183 CG2 ILE B 18 -2.512 5.353 1.058 1.00 0.44 C ATOM 1184 CD1 ILE B 18 -2.529 2.492 1.047 1.00 0.55 C ATOM 0 H ILE B 18 -0.896 4.169 4.538 1.00 0.16 H new ATOM 0 HA ILE B 18 0.060 5.418 2.114 1.00 0.21 H new ATOM 0 HB ILE B 18 -2.733 4.622 3.035 1.00 0.30 H new ATOM 0 HG12 ILE B 18 -0.568 3.220 1.457 1.00 0.34 H new ATOM 0 HG13 ILE B 18 -1.433 2.646 2.868 1.00 0.34 H new ATOM 0 HG21 ILE B 18 -3.363 4.791 0.673 1.00 0.44 H new ATOM 0 HG22 ILE B 18 -2.835 6.356 1.335 1.00 0.44 H new ATOM 0 HG23 ILE B 18 -1.743 5.419 0.288 1.00 0.44 H new ATOM 0 HD11 ILE B 18 -2.174 1.480 0.853 1.00 0.55 H new ATOM 0 HD12 ILE B 18 -3.501 2.447 1.538 1.00 0.55 H new ATOM 0 HD13 ILE B 18 -2.623 3.031 0.104 1.00 0.55 H new ATOM 1196 N PRO B 19 -0.814 7.796 2.268 1.00 0.20 N ATOM 1197 CA PRO B 19 -1.207 9.204 2.384 1.00 0.22 C ATOM 1198 C PRO B 19 -2.658 9.409 2.793 1.00 0.21 C ATOM 1199 O PRO B 19 -3.562 8.708 2.330 1.00 0.18 O ATOM 1200 CB PRO B 19 -1.008 9.729 0.975 1.00 0.26 C ATOM 1201 CG PRO B 19 0.135 8.937 0.450 1.00 0.28 C ATOM 1202 CD PRO B 19 0.001 7.565 1.059 1.00 0.27 C ATOM 0 HA PRO B 19 -0.626 9.706 3.158 1.00 0.22 H new ATOM 0 HB2 PRO B 19 -1.902 9.589 0.368 1.00 0.26 H new ATOM 0 HB3 PRO B 19 -0.787 10.796 0.975 1.00 0.26 H new ATOM 0 HG2 PRO B 19 0.107 8.886 -0.638 1.00 0.28 H new ATOM 0 HG3 PRO B 19 1.086 9.395 0.724 1.00 0.28 H new ATOM 0 HD2 PRO B 19 -0.485 6.869 0.375 1.00 0.27 H new ATOM 0 HD3 PRO B 19 0.974 7.140 1.307 1.00 0.27 H new ATOM 1210 N ILE B 20 -2.866 10.397 3.648 1.00 0.25 N ATOM 1211 CA ILE B 20 -4.198 10.810 4.057 1.00 0.26 C ATOM 1212 C ILE B 20 -5.036 11.211 2.839 1.00 0.26 C ATOM 1213 O ILE B 20 -6.235 10.949 2.791 1.00 0.25 O ATOM 1214 CB ILE B 20 -4.110 11.994 5.052 1.00 0.30 C ATOM 1215 CG1 ILE B 20 -5.497 12.455 5.494 1.00 0.31 C ATOM 1216 CG2 ILE B 20 -3.335 13.157 4.449 1.00 0.34 C ATOM 1217 CD1 ILE B 20 -6.148 11.518 6.481 1.00 0.82 C ATOM 0 H ILE B 20 -2.115 10.936 4.079 1.00 0.25 H new ATOM 0 HA ILE B 20 -4.682 9.967 4.550 1.00 0.26 H new ATOM 0 HB ILE B 20 -3.574 11.639 5.932 1.00 0.30 H new ATOM 0 HG12 ILE B 20 -5.418 13.446 5.941 1.00 0.31 H new ATOM 0 HG13 ILE B 20 -6.137 12.551 4.617 1.00 0.31 H new ATOM 0 HG21 ILE B 20 -3.288 13.975 5.168 1.00 0.34 H new ATOM 0 HG22 ILE B 20 -2.324 12.832 4.203 1.00 0.34 H new ATOM 0 HG23 ILE B 20 -3.837 13.498 3.544 1.00 0.34 H new ATOM 0 HD11 ILE B 20 -7.130 11.903 6.755 1.00 0.82 H new ATOM 0 HD12 ILE B 20 -6.258 10.532 6.029 1.00 0.82 H new ATOM 0 HD13 ILE B 20 -5.527 11.441 7.374 1.00 0.82 H new ATOM 1229 N GLU B 21 -4.385 11.799 1.832 1.00 0.28 N ATOM 1230 CA GLU B 21 -5.078 12.241 0.626 1.00 0.30 C ATOM 1231 C GLU B 21 -5.511 11.033 -0.198 1.00 0.26 C ATOM 1232 O GLU B 21 -6.484 11.096 -0.946 1.00 0.26 O ATOM 1233 CB GLU B 21 -4.177 13.134 -0.237 1.00 0.37 C ATOM 1234 CG GLU B 21 -3.131 12.351 -1.016 1.00 0.42 C ATOM 1235 CD GLU B 21 -2.507 13.138 -2.147 1.00 0.64 C ATOM 1236 OE1 GLU B 21 -3.257 13.677 -2.987 1.00 1.18 O ATOM 1237 OE2 GLU B 21 -1.264 13.191 -2.216 1.00 1.35 O ATOM 0 H GLU B 21 -3.381 11.978 1.831 1.00 0.28 H new ATOM 0 HA GLU B 21 -5.950 12.816 0.936 1.00 0.30 H new ATOM 0 HB2 GLU B 21 -4.796 13.697 -0.936 1.00 0.37 H new ATOM 0 HB3 GLU B 21 -3.676 13.861 0.403 1.00 0.37 H new ATOM 0 HG2 GLU B 21 -2.346 12.028 -0.332 1.00 0.42 H new ATOM 0 HG3 GLU B 21 -3.591 11.450 -1.421 1.00 0.42 H new ATOM 1244 N LEU B 22 -4.811 9.919 -0.011 1.00 0.24 N ATOM 1245 CA LEU B 22 -5.049 8.740 -0.816 1.00 0.22 C ATOM 1246 C LEU B 22 -6.208 7.957 -0.243 1.00 0.20 C ATOM 1247 O LEU B 22 -7.135 7.580 -0.961 1.00 0.20 O ATOM 1248 CB LEU B 22 -3.798 7.872 -0.892 1.00 0.23 C ATOM 1249 CG LEU B 22 -2.729 8.363 -1.861 1.00 0.28 C ATOM 1250 CD1 LEU B 22 -1.769 7.241 -2.213 1.00 0.30 C ATOM 1251 CD2 LEU B 22 -3.372 8.934 -3.112 1.00 0.33 C ATOM 0 H LEU B 22 -4.078 9.814 0.690 1.00 0.24 H new ATOM 0 HA LEU B 22 -5.299 9.052 -1.830 1.00 0.22 H new ATOM 0 HB2 LEU B 22 -3.360 7.804 0.104 1.00 0.23 H new ATOM 0 HB3 LEU B 22 -4.092 6.863 -1.180 1.00 0.23 H new ATOM 0 HG LEU B 22 -2.159 9.155 -1.375 1.00 0.28 H new ATOM 0 HD11 LEU B 22 -1.014 7.612 -2.906 1.00 0.30 H new ATOM 0 HD12 LEU B 22 -1.284 6.880 -1.306 1.00 0.30 H new ATOM 0 HD13 LEU B 22 -2.319 6.424 -2.680 1.00 0.30 H new ATOM 0 HD21 LEU B 22 -2.596 9.280 -3.794 1.00 0.33 H new ATOM 0 HD22 LEU B 22 -3.966 8.162 -3.601 1.00 0.33 H new ATOM 0 HD23 LEU B 22 -4.016 9.770 -2.841 1.00 0.33 H new ATOM 1263 N ARG B 23 -6.188 7.768 1.069 1.00 0.19 N ATOM 1264 CA ARG B 23 -7.275 7.090 1.740 1.00 0.18 C ATOM 1265 C ARG B 23 -8.528 7.950 1.589 1.00 0.18 C ATOM 1266 O ARG B 23 -9.641 7.443 1.496 1.00 0.19 O ATOM 1267 CB ARG B 23 -6.919 6.841 3.220 1.00 0.21 C ATOM 1268 CG ARG B 23 -6.804 8.100 4.074 1.00 0.27 C ATOM 1269 CD ARG B 23 -8.102 8.367 4.822 1.00 0.64 C ATOM 1270 NE ARG B 23 -7.879 8.877 6.173 1.00 0.66 N ATOM 1271 CZ ARG B 23 -8.839 9.408 6.934 1.00 0.88 C ATOM 1272 NH1 ARG B 23 -10.072 9.528 6.462 1.00 1.48 N ATOM 1273 NH2 ARG B 23 -8.565 9.822 8.162 1.00 1.34 N ATOM 0 H ARG B 23 -5.433 8.075 1.682 1.00 0.19 H new ATOM 0 HA ARG B 23 -7.457 6.112 1.294 1.00 0.18 H new ATOM 0 HB2 ARG B 23 -7.678 6.192 3.657 1.00 0.21 H new ATOM 0 HB3 ARG B 23 -5.973 6.301 3.265 1.00 0.21 H new ATOM 0 HG2 ARG B 23 -5.986 7.989 4.785 1.00 0.27 H new ATOM 0 HG3 ARG B 23 -6.562 8.953 3.441 1.00 0.27 H new ATOM 0 HD2 ARG B 23 -8.699 9.086 4.261 1.00 0.64 H new ATOM 0 HD3 ARG B 23 -8.681 7.445 4.877 1.00 0.64 H new ATOM 0 HE ARG B 23 -6.935 8.824 6.557 1.00 0.66 H new ATOM 0 HH11 ARG B 23 -10.289 9.214 5.516 1.00 1.48 H new ATOM 0 HH12 ARG B 23 -10.804 9.934 7.045 1.00 1.48 H new ATOM 0 HH21 ARG B 23 -7.618 9.736 8.530 1.00 1.34 H new ATOM 0 HH22 ARG B 23 -9.301 10.227 8.740 1.00 1.34 H new ATOM 1287 N ARG B 24 -8.302 9.265 1.536 1.00 0.20 N ATOM 1288 CA ARG B 24 -9.333 10.244 1.204 1.00 0.22 C ATOM 1289 C ARG B 24 -9.918 9.980 -0.180 1.00 0.22 C ATOM 1290 O ARG B 24 -11.136 9.976 -0.354 1.00 0.23 O ATOM 1291 CB ARG B 24 -8.725 11.637 1.235 1.00 0.30 C ATOM 1292 CG ARG B 24 -9.645 12.734 0.738 1.00 0.42 C ATOM 1293 CD ARG B 24 -8.845 13.943 0.276 1.00 0.89 C ATOM 1294 NE ARG B 24 -9.640 14.832 -0.566 1.00 1.40 N ATOM 1295 CZ ARG B 24 -9.208 15.998 -1.041 1.00 1.96 C ATOM 1296 NH1 ARG B 24 -8.003 16.454 -0.720 1.00 2.14 N ATOM 1297 NH2 ARG B 24 -9.987 16.705 -1.845 1.00 2.77 N ATOM 0 H ARG B 24 -7.390 9.681 1.724 1.00 0.20 H new ATOM 0 HA ARG B 24 -10.136 10.163 1.937 1.00 0.22 H new ATOM 0 HB2 ARG B 24 -8.426 11.867 2.258 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -7.819 11.638 0.630 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.254 12.359 -0.085 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -10.330 13.028 1.533 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -8.484 14.493 1.145 1.00 0.89 H new ATOM 0 HD3 ARG B 24 -7.967 13.608 -0.277 1.00 0.89 H new ATOM 0 HE ARG B 24 -10.588 14.541 -0.806 1.00 1.40 H new ATOM 0 HH11 ARG B 24 -7.399 15.910 -0.104 1.00 2.14 H new ATOM 0 HH12 ARG B 24 -7.681 17.349 -1.089 1.00 2.14 H new ATOM 0 HH21 ARG B 24 -10.912 16.355 -2.097 1.00 2.77 H new ATOM 0 HH22 ARG B 24 -9.663 17.599 -2.213 1.00 2.77 H new ATOM 1311 N THR B 25 -9.042 9.750 -1.159 1.00 0.23 N ATOM 1312 CA THR B 25 -9.465 9.480 -2.530 1.00 0.24 C ATOM 1313 C THR B 25 -10.373 8.256 -2.592 1.00 0.22 C ATOM 1314 O THR B 25 -11.331 8.208 -3.365 1.00 0.23 O ATOM 1315 CB THR B 25 -8.240 9.239 -3.430 1.00 0.27 C ATOM 1316 OG1 THR B 25 -7.403 10.398 -3.403 1.00 0.31 O ATOM 1317 CG2 THR B 25 -8.649 8.927 -4.864 1.00 0.29 C ATOM 0 H THR B 25 -8.031 9.746 -1.025 1.00 0.23 H new ATOM 0 HA THR B 25 -10.017 10.351 -2.883 1.00 0.24 H new ATOM 0 HB THR B 25 -7.697 8.375 -3.047 1.00 0.27 H new ATOM 0 HG1 THR B 25 -6.993 10.485 -2.517 1.00 0.31 H new ATOM 0 HG21 THR B 25 -7.757 8.763 -5.469 1.00 0.29 H new ATOM 0 HG22 THR B 25 -9.268 8.030 -4.879 1.00 0.29 H new ATOM 0 HG23 THR B 25 -9.215 9.765 -5.271 1.00 0.29 H new ATOM 1325 N LEU B 26 -10.081 7.288 -1.742 1.00 0.20 N ATOM 1326 CA LEU B 26 -10.805 6.031 -1.755 1.00 0.19 C ATOM 1327 C LEU B 26 -12.002 6.114 -0.825 1.00 0.18 C ATOM 1328 O LEU B 26 -12.871 5.244 -0.825 1.00 0.21 O ATOM 1329 CB LEU B 26 -9.888 4.898 -1.303 1.00 0.19 C ATOM 1330 CG LEU B 26 -8.405 5.099 -1.614 1.00 0.20 C ATOM 1331 CD1 LEU B 26 -7.576 3.980 -1.024 1.00 0.20 C ATOM 1332 CD2 LEU B 26 -8.161 5.230 -3.111 1.00 0.24 C ATOM 0 H LEU B 26 -9.348 7.349 -1.035 1.00 0.20 H new ATOM 0 HA LEU B 26 -11.150 5.833 -2.770 1.00 0.19 H new ATOM 0 HB2 LEU B 26 -10.003 4.766 -0.227 1.00 0.19 H new ATOM 0 HB3 LEU B 26 -10.220 3.973 -1.775 1.00 0.19 H new ATOM 0 HG LEU B 26 -8.093 6.035 -1.150 1.00 0.20 H new ATOM 0 HD11 LEU B 26 -6.524 4.144 -1.258 1.00 0.20 H new ATOM 0 HD12 LEU B 26 -7.708 3.961 0.058 1.00 0.20 H new ATOM 0 HD13 LEU B 26 -7.897 3.028 -1.446 1.00 0.20 H new ATOM 0 HD21 LEU B 26 -7.096 5.372 -3.295 1.00 0.24 H new ATOM 0 HD22 LEU B 26 -8.499 4.325 -3.615 1.00 0.24 H new ATOM 0 HD23 LEU B 26 -8.713 6.087 -3.496 1.00 0.24 H new ATOM 1344 N GLY B 27 -12.043 7.181 -0.041 1.00 0.19 N ATOM 1345 CA GLY B 27 -13.053 7.320 0.988 1.00 0.21 C ATOM 1346 C GLY B 27 -12.931 6.270 2.076 1.00 0.24 C ATOM 1347 O GLY B 27 -13.881 6.033 2.825 1.00 0.34 O ATOM 0 H GLY B 27 -11.388 7.960 -0.100 1.00 0.19 H new ATOM 0 HA2 GLY B 27 -12.976 8.311 1.435 1.00 0.21 H new ATOM 0 HA3 GLY B 27 -14.041 7.252 0.533 1.00 0.21 H new ATOM 1351 N ILE B 28 -11.768 5.634 2.169 1.00 0.22 N ATOM 1352 CA ILE B 28 -11.546 4.609 3.176 1.00 0.23 C ATOM 1353 C ILE B 28 -10.742 5.153 4.342 1.00 0.18 C ATOM 1354 O ILE B 28 -10.153 6.230 4.257 1.00 0.17 O ATOM 1355 CB ILE B 28 -10.794 3.383 2.626 1.00 0.31 C ATOM 1356 CG1 ILE B 28 -9.377 3.773 2.203 1.00 0.33 C ATOM 1357 CG2 ILE B 28 -11.553 2.761 1.463 1.00 0.40 C ATOM 1358 CD1 ILE B 28 -8.426 2.600 2.189 1.00 0.47 C ATOM 0 H ILE B 28 -10.969 5.811 1.561 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.541 4.302 3.499 1.00 0.23 H new ATOM 0 HB ILE B 28 -10.724 2.638 3.419 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -9.410 4.220 1.209 1.00 0.33 H new ATOM 0 HG13 ILE B 28 -8.997 4.535 2.883 1.00 0.33 H new ATOM 0 HG21 ILE B 28 -11.003 1.897 1.090 1.00 0.40 H new ATOM 0 HG22 ILE B 28 -12.540 2.445 1.800 1.00 0.40 H new ATOM 0 HG23 ILE B 28 -11.660 3.495 0.664 1.00 0.40 H new ATOM 0 HD11 ILE B 28 -7.436 2.938 1.881 1.00 0.47 H new ATOM 0 HD12 ILE B 28 -8.367 2.167 3.188 1.00 0.47 H new ATOM 0 HD13 ILE B 28 -8.787 1.847 1.488 1.00 0.47 H new ATOM 1370 N ALA B 29 -10.717 4.380 5.416 1.00 0.19 N ATOM 1371 CA ALA B 29 -9.940 4.696 6.604 1.00 0.18 C ATOM 1372 C ALA B 29 -10.095 3.589 7.618 1.00 0.19 C ATOM 1373 O ALA B 29 -11.108 2.900 7.623 1.00 0.21 O ATOM 1374 CB ALA B 29 -10.374 6.023 7.214 1.00 0.22 C ATOM 0 H ALA B 29 -11.240 3.507 5.488 1.00 0.19 H new ATOM 0 HA ALA B 29 -8.893 4.787 6.314 1.00 0.18 H new ATOM 0 HB1 ALA B 29 -9.774 6.230 8.100 1.00 0.22 H new ATOM 0 HB2 ALA B 29 -10.233 6.822 6.486 1.00 0.22 H new ATOM 0 HB3 ALA B 29 -11.426 5.968 7.493 1.00 0.22 H new ATOM 1380 N GLU B 30 -9.074 3.437 8.455 1.00 0.20 N ATOM 1381 CA GLU B 30 -9.068 2.516 9.589 1.00 0.22 C ATOM 1382 C GLU B 30 -9.839 1.202 9.368 1.00 0.24 C ATOM 1383 O GLU B 30 -9.274 0.221 8.893 1.00 0.25 O ATOM 1384 CB GLU B 30 -9.550 3.256 10.840 1.00 0.26 C ATOM 1385 CG GLU B 30 -10.628 4.300 10.571 1.00 0.28 C ATOM 1386 CD GLU B 30 -10.885 5.200 11.759 1.00 0.43 C ATOM 1387 OE1 GLU B 30 -11.713 4.839 12.619 1.00 1.12 O ATOM 1388 OE2 GLU B 30 -10.265 6.278 11.834 1.00 1.11 O ATOM 0 H GLU B 30 -8.205 3.964 8.362 1.00 0.20 H new ATOM 0 HA GLU B 30 -8.036 2.189 9.718 1.00 0.22 H new ATOM 0 HB2 GLU B 30 -9.935 2.528 11.554 1.00 0.26 H new ATOM 0 HB3 GLU B 30 -8.697 3.744 11.311 1.00 0.26 H new ATOM 0 HG2 GLU B 30 -10.332 4.909 9.717 1.00 0.28 H new ATOM 0 HG3 GLU B 30 -11.555 3.796 10.296 1.00 0.28 H new ATOM 1395 N LYS B 31 -11.123 1.198 9.702 1.00 0.26 N ATOM 1396 CA LYS B 31 -11.934 -0.017 9.672 1.00 0.30 C ATOM 1397 C LYS B 31 -12.333 -0.437 8.249 1.00 0.27 C ATOM 1398 O LYS B 31 -13.094 -1.389 8.079 1.00 0.33 O ATOM 1399 CB LYS B 31 -13.196 0.184 10.512 1.00 0.37 C ATOM 1400 CG LYS B 31 -12.922 0.557 11.958 1.00 0.44 C ATOM 1401 CD LYS B 31 -12.194 -0.558 12.683 1.00 0.49 C ATOM 1402 CE LYS B 31 -10.736 -0.205 12.926 1.00 0.50 C ATOM 1403 NZ LYS B 31 -10.013 -1.278 13.659 1.00 0.65 N ATOM 0 H LYS B 31 -11.631 2.031 10.000 1.00 0.26 H new ATOM 0 HA LYS B 31 -11.319 -0.817 10.085 1.00 0.30 H new ATOM 0 HB2 LYS B 31 -13.804 0.965 10.055 1.00 0.37 H new ATOM 0 HB3 LYS B 31 -13.785 -0.733 10.489 1.00 0.37 H new ATOM 0 HG2 LYS B 31 -12.325 1.468 11.994 1.00 0.44 H new ATOM 0 HG3 LYS B 31 -13.862 0.771 12.466 1.00 0.44 H new ATOM 0 HD2 LYS B 31 -12.685 -0.756 13.636 1.00 0.49 H new ATOM 0 HD3 LYS B 31 -12.255 -1.475 12.097 1.00 0.49 H new ATOM 0 HE2 LYS B 31 -10.243 -0.025 11.970 1.00 0.50 H new ATOM 0 HE3 LYS B 31 -10.679 0.723 13.494 1.00 0.50 H new ATOM 0 HZ1 LYS B 31 -9.023 -0.994 13.802 1.00 0.65 H new ATOM 0 HZ2 LYS B 31 -10.466 -1.433 14.582 1.00 0.65 H new ATOM 0 HZ3 LYS B 31 -10.044 -2.158 13.106 1.00 0.65 H new ATOM 1417 N ASP B 32 -11.834 0.254 7.229 1.00 0.23 N ATOM 1418 CA ASP B 32 -12.222 -0.061 5.856 1.00 0.21 C ATOM 1419 C ASP B 32 -11.271 -1.060 5.230 1.00 0.19 C ATOM 1420 O ASP B 32 -10.286 -1.468 5.844 1.00 0.20 O ATOM 1421 CB ASP B 32 -12.307 1.192 4.984 1.00 0.25 C ATOM 1422 CG ASP B 32 -13.598 1.957 5.186 1.00 0.54 C ATOM 1423 OD1 ASP B 32 -14.680 1.384 4.934 1.00 1.37 O ATOM 1424 OD2 ASP B 32 -13.539 3.130 5.604 1.00 1.18 O ATOM 0 H ASP B 32 -11.171 1.023 7.322 1.00 0.23 H new ATOM 0 HA ASP B 32 -13.215 -0.506 5.908 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -11.464 1.845 5.209 1.00 0.25 H new ATOM 0 HB3 ASP B 32 -12.218 0.907 3.936 1.00 0.25 H new ATOM 1429 N ALA B 33 -11.585 -1.462 4.011 1.00 0.18 N ATOM 1430 CA ALA B 33 -10.801 -2.461 3.309 1.00 0.19 C ATOM 1431 C ALA B 33 -10.156 -1.903 2.048 1.00 0.19 C ATOM 1432 O ALA B 33 -10.664 -0.970 1.423 1.00 0.22 O ATOM 1433 CB ALA B 33 -11.682 -3.644 2.960 1.00 0.22 C ATOM 0 H ALA B 33 -12.384 -1.108 3.484 1.00 0.18 H new ATOM 0 HA ALA B 33 -9.996 -2.778 3.972 1.00 0.19 H new ATOM 0 HB1 ALA B 33 -11.092 -4.394 2.433 1.00 0.22 H new ATOM 0 HB2 ALA B 33 -12.087 -4.078 3.874 1.00 0.22 H new ATOM 0 HB3 ALA B 33 -12.501 -3.312 2.322 1.00 0.22 H new ATOM 1439 N LEU B 34 -9.018 -2.475 1.701 1.00 0.19 N ATOM 1440 CA LEU B 34 -8.325 -2.174 0.469 1.00 0.19 C ATOM 1441 C LEU B 34 -8.028 -3.488 -0.244 1.00 0.20 C ATOM 1442 O LEU B 34 -7.863 -4.524 0.398 1.00 0.23 O ATOM 1443 CB LEU B 34 -7.025 -1.452 0.807 1.00 0.23 C ATOM 1444 CG LEU B 34 -6.416 -0.618 -0.318 1.00 0.46 C ATOM 1445 CD1 LEU B 34 -7.376 0.473 -0.750 1.00 1.23 C ATOM 1446 CD2 LEU B 34 -5.101 -0.013 0.136 1.00 0.85 C ATOM 0 H LEU B 34 -8.545 -3.171 2.277 1.00 0.19 H new ATOM 0 HA LEU B 34 -8.930 -1.538 -0.177 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -7.206 -0.799 1.661 1.00 0.23 H new ATOM 0 HB3 LEU B 34 -6.291 -2.194 1.122 1.00 0.23 H new ATOM 0 HG LEU B 34 -6.228 -1.269 -1.172 1.00 0.46 H new ATOM 0 HD11 LEU B 34 -6.925 1.057 -1.552 1.00 1.23 H new ATOM 0 HD12 LEU B 34 -8.303 0.022 -1.106 1.00 1.23 H new ATOM 0 HD13 LEU B 34 -7.591 1.125 0.097 1.00 1.23 H new ATOM 0 HD21 LEU B 34 -4.675 0.580 -0.673 1.00 0.85 H new ATOM 0 HD22 LEU B 34 -5.274 0.626 1.002 1.00 0.85 H new ATOM 0 HD23 LEU B 34 -4.408 -0.810 0.406 1.00 0.85 H new ATOM 1458 N GLU B 35 -7.967 -3.442 -1.554 1.00 0.19 N ATOM 1459 CA GLU B 35 -7.737 -4.626 -2.363 1.00 0.20 C ATOM 1460 C GLU B 35 -6.313 -4.602 -2.913 1.00 0.19 C ATOM 1461 O GLU B 35 -5.990 -3.813 -3.804 1.00 0.20 O ATOM 1462 CB GLU B 35 -8.745 -4.682 -3.511 1.00 0.23 C ATOM 1463 CG GLU B 35 -9.086 -6.093 -3.937 1.00 0.78 C ATOM 1464 CD GLU B 35 -9.953 -6.139 -5.181 1.00 0.77 C ATOM 1465 OE1 GLU B 35 -11.061 -5.563 -5.166 1.00 1.40 O ATOM 1466 OE2 GLU B 35 -9.527 -6.744 -6.185 1.00 1.30 O ATOM 0 H GLU B 35 -8.075 -2.584 -2.094 1.00 0.19 H new ATOM 0 HA GLU B 35 -7.866 -5.514 -1.744 1.00 0.20 H new ATOM 0 HB2 GLU B 35 -9.659 -4.170 -3.209 1.00 0.23 H new ATOM 0 HB3 GLU B 35 -8.343 -4.139 -4.366 1.00 0.23 H new ATOM 0 HG2 GLU B 35 -8.164 -6.645 -4.122 1.00 0.78 H new ATOM 0 HG3 GLU B 35 -9.602 -6.599 -3.121 1.00 0.78 H new ATOM 1473 N ILE B 36 -5.468 -5.455 -2.367 1.00 0.20 N ATOM 1474 CA ILE B 36 -4.052 -5.468 -2.700 1.00 0.22 C ATOM 1475 C ILE B 36 -3.750 -6.484 -3.806 1.00 0.24 C ATOM 1476 O ILE B 36 -4.063 -7.671 -3.687 1.00 0.26 O ATOM 1477 CB ILE B 36 -3.194 -5.790 -1.445 1.00 0.25 C ATOM 1478 CG1 ILE B 36 -3.046 -4.564 -0.541 1.00 0.28 C ATOM 1479 CG2 ILE B 36 -1.818 -6.311 -1.835 1.00 0.29 C ATOM 1480 CD1 ILE B 36 -4.349 -4.028 -0.005 1.00 0.25 C ATOM 0 H ILE B 36 -5.741 -6.159 -1.681 1.00 0.20 H new ATOM 0 HA ILE B 36 -3.793 -4.473 -3.063 1.00 0.22 H new ATOM 0 HB ILE B 36 -3.719 -6.569 -0.892 1.00 0.25 H new ATOM 0 HG12 ILE B 36 -2.400 -4.822 0.298 1.00 0.28 H new ATOM 0 HG13 ILE B 36 -2.544 -3.774 -1.099 1.00 0.28 H new ATOM 0 HG21 ILE B 36 -1.242 -6.527 -0.935 1.00 0.29 H new ATOM 0 HG22 ILE B 36 -1.927 -7.222 -2.423 1.00 0.29 H new ATOM 0 HG23 ILE B 36 -1.298 -5.557 -2.426 1.00 0.29 H new ATOM 0 HD11 ILE B 36 -4.154 -3.160 0.625 1.00 0.25 H new ATOM 0 HD12 ILE B 36 -4.991 -3.736 -0.836 1.00 0.25 H new ATOM 0 HD13 ILE B 36 -4.845 -4.800 0.583 1.00 0.25 H new ATOM 1492 N TYR B 37 -3.145 -6.001 -4.876 1.00 0.24 N ATOM 1493 CA TYR B 37 -2.695 -6.844 -5.973 1.00 0.24 C ATOM 1494 C TYR B 37 -1.199 -6.632 -6.199 1.00 0.18 C ATOM 1495 O TYR B 37 -0.640 -5.624 -5.770 1.00 0.23 O ATOM 1496 CB TYR B 37 -3.541 -6.559 -7.233 1.00 0.31 C ATOM 1497 CG TYR B 37 -2.829 -6.636 -8.577 1.00 1.09 C ATOM 1498 CD1 TYR B 37 -2.753 -7.828 -9.291 1.00 1.84 C ATOM 1499 CD2 TYR B 37 -2.257 -5.503 -9.145 1.00 2.07 C ATOM 1500 CE1 TYR B 37 -2.128 -7.886 -10.527 1.00 2.78 C ATOM 1501 CE2 TYR B 37 -1.627 -5.554 -10.376 1.00 3.02 C ATOM 1502 CZ TYR B 37 -1.563 -6.745 -11.065 1.00 3.21 C ATOM 1503 OH TYR B 37 -0.939 -6.795 -12.298 1.00 4.28 O ATOM 0 H TYR B 37 -2.950 -5.009 -5.011 1.00 0.24 H new ATOM 0 HA TYR B 37 -2.837 -7.897 -5.728 1.00 0.24 H new ATOM 0 HB2 TYR B 37 -4.372 -7.264 -7.249 1.00 0.31 H new ATOM 0 HB3 TYR B 37 -3.971 -5.562 -7.134 1.00 0.31 H new ATOM 0 HD1 TYR B 37 -3.189 -8.724 -8.875 1.00 1.84 H new ATOM 0 HD2 TYR B 37 -2.305 -4.564 -8.614 1.00 2.07 H new ATOM 0 HE1 TYR B 37 -2.083 -8.820 -11.068 1.00 2.78 H new ATOM 0 HE2 TYR B 37 -1.186 -4.662 -10.796 1.00 3.02 H new ATOM 0 HH TYR B 37 -0.136 -6.233 -12.281 1.00 4.28 H new ATOM 1513 N VAL B 38 -0.553 -7.586 -6.848 1.00 0.21 N ATOM 1514 CA VAL B 38 0.884 -7.509 -7.047 1.00 0.20 C ATOM 1515 C VAL B 38 1.216 -7.423 -8.530 1.00 0.20 C ATOM 1516 O VAL B 38 0.642 -8.138 -9.349 1.00 0.26 O ATOM 1517 CB VAL B 38 1.634 -8.693 -6.402 1.00 0.23 C ATOM 1518 CG1 VAL B 38 1.287 -10.016 -7.067 1.00 0.28 C ATOM 1519 CG2 VAL B 38 3.129 -8.430 -6.453 1.00 0.21 C ATOM 0 H VAL B 38 -0.996 -8.416 -7.243 1.00 0.21 H new ATOM 0 HA VAL B 38 1.223 -6.601 -6.549 1.00 0.20 H new ATOM 0 HB VAL B 38 1.318 -8.776 -5.362 1.00 0.23 H new ATOM 0 HG11 VAL B 38 1.837 -10.822 -6.582 1.00 0.28 H new ATOM 0 HG12 VAL B 38 0.217 -10.200 -6.975 1.00 0.28 H new ATOM 0 HG13 VAL B 38 1.558 -9.975 -8.122 1.00 0.28 H new ATOM 0 HG21 VAL B 38 3.661 -9.265 -5.998 1.00 0.21 H new ATOM 0 HG22 VAL B 38 3.444 -8.321 -7.491 1.00 0.21 H new ATOM 0 HG23 VAL B 38 3.356 -7.514 -5.907 1.00 0.21 H new ATOM 1529 N ASP B 39 2.135 -6.540 -8.869 1.00 0.18 N ATOM 1530 CA ASP B 39 2.492 -6.310 -10.258 1.00 0.22 C ATOM 1531 C ASP B 39 3.978 -6.555 -10.448 1.00 0.26 C ATOM 1532 O ASP B 39 4.779 -5.618 -10.464 1.00 0.29 O ATOM 1533 CB ASP B 39 2.115 -4.887 -10.672 1.00 0.24 C ATOM 1534 CG ASP B 39 2.149 -4.686 -12.171 1.00 0.39 C ATOM 1535 OD1 ASP B 39 1.411 -5.401 -12.882 1.00 1.07 O ATOM 1536 OD2 ASP B 39 2.894 -3.802 -12.645 1.00 1.12 O ATOM 0 H ASP B 39 2.650 -5.968 -8.200 1.00 0.18 H new ATOM 0 HA ASP B 39 1.940 -7.003 -10.893 1.00 0.22 H new ATOM 0 HB2 ASP B 39 1.116 -4.658 -10.302 1.00 0.24 H new ATOM 0 HB3 ASP B 39 2.799 -4.182 -10.200 1.00 0.24 H new ATOM 1541 N ASP B 40 4.324 -7.834 -10.558 1.00 0.30 N ATOM 1542 CA ASP B 40 5.716 -8.291 -10.583 1.00 0.36 C ATOM 1543 C ASP B 40 6.472 -7.842 -9.344 1.00 0.39 C ATOM 1544 O ASP B 40 6.522 -8.557 -8.346 1.00 0.46 O ATOM 1545 CB ASP B 40 6.461 -7.828 -11.837 1.00 0.48 C ATOM 1546 CG ASP B 40 6.215 -8.736 -13.018 1.00 0.92 C ATOM 1547 OD1 ASP B 40 6.533 -9.943 -12.922 1.00 1.64 O ATOM 1548 OD2 ASP B 40 5.705 -8.252 -14.047 1.00 1.59 O ATOM 0 H ASP B 40 3.644 -8.591 -10.633 1.00 0.30 H new ATOM 0 HA ASP B 40 5.675 -9.380 -10.599 1.00 0.36 H new ATOM 0 HB2 ASP B 40 6.148 -6.815 -12.089 1.00 0.48 H new ATOM 0 HB3 ASP B 40 7.530 -7.789 -11.628 1.00 0.48 H new ATOM 1553 N GLU B 41 7.036 -6.648 -9.411 1.00 0.45 N ATOM 1554 CA GLU B 41 7.859 -6.130 -8.333 1.00 0.58 C ATOM 1555 C GLU B 41 7.224 -4.895 -7.702 1.00 0.41 C ATOM 1556 O GLU B 41 7.743 -4.352 -6.730 1.00 0.46 O ATOM 1557 CB GLU B 41 9.260 -5.811 -8.859 1.00 0.87 C ATOM 1558 CG GLU B 41 9.911 -6.994 -9.562 1.00 1.33 C ATOM 1559 CD GLU B 41 11.330 -6.715 -10.012 1.00 1.98 C ATOM 1560 OE1 GLU B 41 11.513 -6.184 -11.130 1.00 2.81 O ATOM 1561 OE2 GLU B 41 12.270 -7.047 -9.264 1.00 2.10 O ATOM 0 H GLU B 41 6.938 -6.016 -10.206 1.00 0.45 H new ATOM 0 HA GLU B 41 7.937 -6.892 -7.558 1.00 0.58 H new ATOM 0 HB2 GLU B 41 9.200 -4.971 -9.551 1.00 0.87 H new ATOM 0 HB3 GLU B 41 9.892 -5.496 -8.029 1.00 0.87 H new ATOM 0 HG2 GLU B 41 9.912 -7.852 -8.890 1.00 1.33 H new ATOM 0 HG3 GLU B 41 9.310 -7.269 -10.428 1.00 1.33 H new ATOM 1568 N LYS B 42 6.098 -4.451 -8.251 1.00 0.34 N ATOM 1569 CA LYS B 42 5.368 -3.327 -7.683 1.00 0.31 C ATOM 1570 C LYS B 42 4.160 -3.839 -6.918 1.00 0.24 C ATOM 1571 O LYS B 42 3.681 -4.948 -7.164 1.00 0.27 O ATOM 1572 CB LYS B 42 4.875 -2.377 -8.771 1.00 0.44 C ATOM 1573 CG LYS B 42 5.940 -1.899 -9.741 1.00 0.84 C ATOM 1574 CD LYS B 42 5.367 -1.753 -11.144 1.00 0.92 C ATOM 1575 CE LYS B 42 4.075 -0.939 -11.164 1.00 0.48 C ATOM 1576 NZ LYS B 42 3.348 -1.111 -12.453 1.00 0.98 N ATOM 0 H LYS B 42 5.673 -4.852 -9.087 1.00 0.34 H new ATOM 0 HA LYS B 42 6.048 -2.790 -7.022 1.00 0.31 H new ATOM 0 HB2 LYS B 42 4.088 -2.875 -9.337 1.00 0.44 H new ATOM 0 HB3 LYS B 42 4.423 -1.507 -8.294 1.00 0.44 H new ATOM 0 HG2 LYS B 42 6.341 -0.942 -9.406 1.00 0.84 H new ATOM 0 HG3 LYS B 42 6.770 -2.605 -9.754 1.00 0.84 H new ATOM 0 HD2 LYS B 42 6.105 -1.273 -11.787 1.00 0.92 H new ATOM 0 HD3 LYS B 42 5.176 -2.742 -11.560 1.00 0.92 H new ATOM 0 HE2 LYS B 42 3.434 -1.249 -10.338 1.00 0.48 H new ATOM 0 HE3 LYS B 42 4.304 0.116 -11.011 1.00 0.48 H new ATOM 0 HZ1 LYS B 42 2.351 -0.844 -12.327 1.00 0.98 H new ATOM 0 HZ2 LYS B 42 3.780 -0.504 -13.179 1.00 0.98 H new ATOM 0 HZ3 LYS B 42 3.405 -2.105 -12.754 1.00 0.98 H new ATOM 1590 N ILE B 43 3.659 -3.030 -6.012 1.00 0.20 N ATOM 1591 CA ILE B 43 2.456 -3.360 -5.282 1.00 0.19 C ATOM 1592 C ILE B 43 1.334 -2.416 -5.700 1.00 0.18 C ATOM 1593 O ILE B 43 1.538 -1.207 -5.784 1.00 0.20 O ATOM 1594 CB ILE B 43 2.679 -3.252 -3.767 1.00 0.24 C ATOM 1595 CG1 ILE B 43 3.981 -3.956 -3.383 1.00 0.31 C ATOM 1596 CG2 ILE B 43 1.506 -3.870 -3.031 1.00 0.28 C ATOM 1597 CD1 ILE B 43 4.399 -3.722 -1.954 1.00 0.42 C ATOM 0 H ILE B 43 4.070 -2.131 -5.762 1.00 0.20 H new ATOM 0 HA ILE B 43 2.185 -4.390 -5.515 1.00 0.19 H new ATOM 0 HB ILE B 43 2.754 -2.201 -3.487 1.00 0.24 H new ATOM 0 HG12 ILE B 43 3.866 -5.027 -3.548 1.00 0.31 H new ATOM 0 HG13 ILE B 43 4.777 -3.615 -4.045 1.00 0.31 H new ATOM 0 HG21 ILE B 43 1.669 -3.791 -1.956 1.00 0.28 H new ATOM 0 HG22 ILE B 43 0.590 -3.343 -3.299 1.00 0.28 H new ATOM 0 HG23 ILE B 43 1.415 -4.920 -3.308 1.00 0.28 H new ATOM 0 HD11 ILE B 43 5.330 -4.253 -1.756 1.00 0.42 H new ATOM 0 HD12 ILE B 43 4.547 -2.655 -1.788 1.00 0.42 H new ATOM 0 HD13 ILE B 43 3.622 -4.089 -1.283 1.00 0.42 H new ATOM 1609 N ILE B 44 0.162 -2.965 -5.970 1.00 0.17 N ATOM 1610 CA ILE B 44 -0.951 -2.169 -6.483 1.00 0.17 C ATOM 1611 C ILE B 44 -2.155 -2.327 -5.576 1.00 0.18 C ATOM 1612 O ILE B 44 -2.694 -3.421 -5.445 1.00 0.24 O ATOM 1613 CB ILE B 44 -1.362 -2.583 -7.916 1.00 0.21 C ATOM 1614 CG1 ILE B 44 -0.130 -2.769 -8.812 1.00 0.25 C ATOM 1615 CG2 ILE B 44 -2.308 -1.545 -8.515 1.00 0.25 C ATOM 1616 CD1 ILE B 44 0.696 -1.518 -9.006 1.00 0.25 C ATOM 0 H ILE B 44 -0.048 -3.955 -5.845 1.00 0.17 H new ATOM 0 HA ILE B 44 -0.614 -1.133 -6.509 1.00 0.17 H new ATOM 0 HB ILE B 44 -1.882 -3.539 -7.858 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.503 -3.545 -8.382 1.00 0.25 H new ATOM 0 HG13 ILE B 44 -0.456 -3.129 -9.788 1.00 0.25 H new ATOM 0 HG21 ILE B 44 -2.590 -1.848 -9.523 1.00 0.25 H new ATOM 0 HG22 ILE B 44 -3.202 -1.468 -7.896 1.00 0.25 H new ATOM 0 HG23 ILE B 44 -1.809 -0.577 -8.553 1.00 0.25 H new ATOM 0 HD11 ILE B 44 1.546 -1.740 -9.652 1.00 0.25 H new ATOM 0 HD12 ILE B 44 0.082 -0.744 -9.467 1.00 0.25 H new ATOM 0 HD13 ILE B 44 1.057 -1.167 -8.039 1.00 0.25 H new ATOM 1628 N LEU B 45 -2.580 -1.250 -4.946 1.00 0.19 N ATOM 1629 CA LEU B 45 -3.691 -1.329 -4.018 1.00 0.20 C ATOM 1630 C LEU B 45 -4.861 -0.510 -4.539 1.00 0.21 C ATOM 1631 O LEU B 45 -4.755 0.702 -4.716 1.00 0.29 O ATOM 1632 CB LEU B 45 -3.309 -0.807 -2.633 1.00 0.36 C ATOM 1633 CG LEU B 45 -1.823 -0.857 -2.273 1.00 0.43 C ATOM 1634 CD1 LEU B 45 -1.587 -0.159 -0.950 1.00 1.29 C ATOM 1635 CD2 LEU B 45 -1.326 -2.288 -2.204 1.00 1.22 C ATOM 0 H LEU B 45 -2.178 -0.319 -5.057 1.00 0.19 H new ATOM 0 HA LEU B 45 -3.968 -2.380 -3.932 1.00 0.20 H new ATOM 0 HB2 LEU B 45 -3.645 0.227 -2.553 1.00 0.36 H new ATOM 0 HB3 LEU B 45 -3.860 -1.380 -1.888 1.00 0.36 H new ATOM 0 HG LEU B 45 -1.265 -0.342 -3.055 1.00 0.43 H new ATOM 0 HD11 LEU B 45 -0.526 -0.199 -0.701 1.00 1.29 H new ATOM 0 HD12 LEU B 45 -1.902 0.882 -1.026 1.00 1.29 H new ATOM 0 HD13 LEU B 45 -2.162 -0.656 -0.169 1.00 1.29 H new ATOM 0 HD21 LEU B 45 -0.267 -2.293 -1.946 1.00 1.22 H new ATOM 0 HD22 LEU B 45 -1.887 -2.832 -1.444 1.00 1.22 H new ATOM 0 HD23 LEU B 45 -1.466 -2.769 -3.172 1.00 1.22 H new ATOM 1647 N LYS B 46 -5.958 -1.178 -4.802 1.00 0.20 N ATOM 1648 CA LYS B 46 -7.187 -0.514 -5.183 1.00 0.25 C ATOM 1649 C LYS B 46 -8.183 -0.680 -4.057 1.00 0.29 C ATOM 1650 O LYS B 46 -8.207 -1.714 -3.428 1.00 0.52 O ATOM 1651 CB LYS B 46 -7.749 -1.126 -6.469 1.00 0.31 C ATOM 1652 CG LYS B 46 -9.095 -0.565 -6.885 1.00 0.63 C ATOM 1653 CD LYS B 46 -9.912 -1.614 -7.611 1.00 0.65 C ATOM 1654 CE LYS B 46 -10.285 -2.749 -6.670 1.00 0.97 C ATOM 1655 NZ LYS B 46 -11.306 -3.660 -7.244 1.00 1.22 N ATOM 0 H LYS B 46 -6.027 -2.195 -4.759 1.00 0.20 H new ATOM 0 HA LYS B 46 -6.994 0.543 -5.366 1.00 0.25 H new ATOM 0 HB2 LYS B 46 -7.035 -0.966 -7.277 1.00 0.31 H new ATOM 0 HB3 LYS B 46 -7.842 -2.204 -6.335 1.00 0.31 H new ATOM 0 HG2 LYS B 46 -9.638 -0.219 -6.005 1.00 0.63 H new ATOM 0 HG3 LYS B 46 -8.950 0.301 -7.531 1.00 0.63 H new ATOM 0 HD2 LYS B 46 -10.816 -1.161 -8.019 1.00 0.65 H new ATOM 0 HD3 LYS B 46 -9.343 -2.006 -8.454 1.00 0.65 H new ATOM 0 HE2 LYS B 46 -9.390 -3.321 -6.426 1.00 0.97 H new ATOM 0 HE3 LYS B 46 -10.661 -2.332 -5.736 1.00 0.97 H new ATOM 0 HZ1 LYS B 46 -11.411 -4.494 -6.631 1.00 1.22 H new ATOM 0 HZ2 LYS B 46 -12.217 -3.162 -7.311 1.00 1.22 H new ATOM 0 HZ3 LYS B 46 -11.007 -3.963 -8.193 1.00 1.22 H new ATOM 1669 N LYS B 47 -8.973 0.340 -3.783 1.00 0.23 N ATOM 1670 CA LYS B 47 -10.038 0.234 -2.784 1.00 0.25 C ATOM 1671 C LYS B 47 -10.883 -1.012 -3.043 1.00 0.26 C ATOM 1672 O LYS B 47 -11.141 -1.349 -4.196 1.00 0.28 O ATOM 1673 CB LYS B 47 -10.916 1.480 -2.857 1.00 0.31 C ATOM 1674 CG LYS B 47 -12.178 1.397 -2.022 1.00 1.18 C ATOM 1675 CD LYS B 47 -13.093 2.568 -2.319 1.00 1.15 C ATOM 1676 CE LYS B 47 -14.350 2.537 -1.471 1.00 2.19 C ATOM 1677 NZ LYS B 47 -15.172 3.758 -1.674 1.00 2.50 N ATOM 0 H LYS B 47 -8.904 1.253 -4.233 1.00 0.23 H new ATOM 0 HA LYS B 47 -9.595 0.153 -1.791 1.00 0.25 H new ATOM 0 HB2 LYS B 47 -10.333 2.342 -2.531 1.00 0.31 H new ATOM 0 HB3 LYS B 47 -11.192 1.657 -3.897 1.00 0.31 H new ATOM 0 HG2 LYS B 47 -12.697 0.461 -2.230 1.00 1.18 H new ATOM 0 HG3 LYS B 47 -11.920 1.390 -0.963 1.00 1.18 H new ATOM 0 HD2 LYS B 47 -12.558 3.501 -2.140 1.00 1.15 H new ATOM 0 HD3 LYS B 47 -13.367 2.555 -3.374 1.00 1.15 H new ATOM 0 HE2 LYS B 47 -14.938 1.655 -1.722 1.00 2.19 H new ATOM 0 HE3 LYS B 47 -14.079 2.450 -0.419 1.00 2.19 H new ATOM 0 HZ1 LYS B 47 -16.024 3.706 -1.080 1.00 2.50 H new ATOM 0 HZ2 LYS B 47 -14.618 4.598 -1.411 1.00 2.50 H new ATOM 0 HZ3 LYS B 47 -15.451 3.827 -2.674 1.00 2.50 H new ATOM 1691 N TYR B 48 -11.311 -1.691 -1.979 1.00 0.33 N ATOM 1692 CA TYR B 48 -12.075 -2.919 -2.133 1.00 0.40 C ATOM 1693 C TYR B 48 -13.352 -2.632 -2.907 1.00 0.51 C ATOM 1694 O TYR B 48 -13.909 -1.534 -2.817 1.00 0.62 O ATOM 1695 CB TYR B 48 -12.393 -3.536 -0.760 1.00 0.54 C ATOM 1696 CG TYR B 48 -13.563 -2.902 -0.033 1.00 1.10 C ATOM 1697 CD1 TYR B 48 -13.433 -1.674 0.604 1.00 1.59 C ATOM 1698 CD2 TYR B 48 -14.788 -3.552 0.044 1.00 2.03 C ATOM 1699 CE1 TYR B 48 -14.487 -1.113 1.295 1.00 2.26 C ATOM 1700 CE2 TYR B 48 -15.852 -2.992 0.727 1.00 2.67 C ATOM 1701 CZ TYR B 48 -15.694 -1.776 1.355 1.00 2.61 C ATOM 1702 OH TYR B 48 -16.743 -1.224 2.053 1.00 3.39 O ATOM 0 H TYR B 48 -11.142 -1.412 -1.013 1.00 0.33 H new ATOM 0 HA TYR B 48 -11.480 -3.641 -2.692 1.00 0.40 H new ATOM 0 HB2 TYR B 48 -12.599 -4.598 -0.894 1.00 0.54 H new ATOM 0 HB3 TYR B 48 -11.507 -3.460 -0.129 1.00 0.54 H new ATOM 0 HD1 TYR B 48 -12.490 -1.149 0.557 1.00 1.59 H new ATOM 0 HD2 TYR B 48 -14.912 -4.511 -0.438 1.00 2.03 H new ATOM 0 HE1 TYR B 48 -14.367 -0.159 1.787 1.00 2.26 H new ATOM 0 HE2 TYR B 48 -16.802 -3.505 0.768 1.00 2.67 H new ATOM 0 HH TYR B 48 -17.522 -1.816 1.996 1.00 3.39 H new