USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 648 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 NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 72 HIS HD1 : A 72 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0869 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 66:sc= 0.54 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0236 (180deg=-0.241) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.541 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= -0.0587 (180deg=-0.341) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HE2:sc= -13.9! C(o=-14!,f=-14!) USER MOD Single : A 43 THR OG1 : rot 61:sc= 0.0917 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 48 TYR OH : rot -31:sc= -2.78 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= -0.0233 (180deg=-0.154) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 24:sc= -1.58 USER MOD Single : A 62 TYR OH : rot 18:sc= 1.3 USER MOD Single : A 63 HIS : no HE2:sc= -12.9! C(o=-13!,f=-13!) USER MOD Single : A 74 LYS NZ :NH3+ -152:sc= -0.192 (180deg=-0.84) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0753 USER MOD Single : A 82 LYS NZ :NH3+ 131:sc= -0.113 (180deg=-0.555) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 59:sc= 0.688 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.399 -17.386 30.246 1.00 0.00 N ATOM 2 CA GLY A 1 21.599 -17.714 29.081 1.00 0.00 C ATOM 3 C GLY A 1 20.813 -16.526 28.563 1.00 0.00 C ATOM 4 O GLY A 1 20.854 -15.444 29.148 1.00 0.00 O ATOM 0 H1 GLY A 1 23.407 -17.413 29.993 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.151 -16.433 30.580 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.213 -18.077 31.001 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.250 -18.087 28.291 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.909 -18.520 29.333 1.00 0.00 H new ATOM 8 N SER A 2 20.096 -16.727 27.462 1.00 0.00 N ATOM 9 CA SER A 2 19.302 -15.661 26.862 1.00 0.00 C ATOM 10 C SER A 2 18.244 -16.235 25.924 1.00 0.00 C ATOM 11 O SER A 2 18.444 -17.284 25.312 1.00 0.00 O ATOM 12 CB SER A 2 20.205 -14.691 26.099 1.00 0.00 C ATOM 13 OG SER A 2 19.440 -13.715 25.412 1.00 0.00 O ATOM 0 H SER A 2 20.049 -17.618 26.967 1.00 0.00 H new ATOM 0 HA SER A 2 18.798 -15.121 27.664 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.886 -14.200 26.794 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.819 -15.244 25.388 1.00 0.00 H new ATOM 0 HG SER A 2 20.040 -13.106 24.934 1.00 0.00 H new ATOM 19 N SER A 3 17.117 -15.538 25.816 1.00 0.00 N ATOM 20 CA SER A 3 16.025 -15.978 24.956 1.00 0.00 C ATOM 21 C SER A 3 15.302 -14.783 24.342 1.00 0.00 C ATOM 22 O SER A 3 15.471 -13.647 24.783 1.00 0.00 O ATOM 23 CB SER A 3 15.037 -16.835 25.749 1.00 0.00 C ATOM 24 OG SER A 3 14.199 -17.581 24.883 1.00 0.00 O ATOM 0 H SER A 3 16.937 -14.666 26.314 1.00 0.00 H new ATOM 0 HA SER A 3 16.448 -16.577 24.150 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.584 -17.513 26.404 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.428 -16.196 26.388 1.00 0.00 H new ATOM 0 HG SER A 3 13.578 -18.122 25.414 1.00 0.00 H new ATOM 30 N GLY A 4 14.493 -15.050 23.321 1.00 0.00 N ATOM 31 CA GLY A 4 13.755 -13.988 22.662 1.00 0.00 C ATOM 32 C GLY A 4 12.420 -14.459 22.121 1.00 0.00 C ATOM 33 O GLY A 4 11.382 -13.859 22.403 1.00 0.00 O ATOM 0 H GLY A 4 14.336 -15.982 22.939 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.591 -13.173 23.367 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.354 -13.587 21.844 1.00 0.00 H new ATOM 37 N SER A 5 12.445 -15.535 21.342 1.00 0.00 N ATOM 38 CA SER A 5 11.227 -16.083 20.756 1.00 0.00 C ATOM 39 C SER A 5 10.278 -14.966 20.331 1.00 0.00 C ATOM 40 O SER A 5 9.067 -15.058 20.526 1.00 0.00 O ATOM 41 CB SER A 5 10.528 -17.009 21.753 1.00 0.00 C ATOM 42 OG SER A 5 9.859 -16.266 22.757 1.00 0.00 O ATOM 0 H SER A 5 13.295 -16.045 21.102 1.00 0.00 H new ATOM 0 HA SER A 5 11.505 -16.656 19.872 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.813 -17.641 21.227 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.261 -17.672 22.214 1.00 0.00 H new ATOM 0 HG SER A 5 9.123 -15.760 22.354 1.00 0.00 H new ATOM 48 N SER A 6 10.840 -13.912 19.748 1.00 0.00 N ATOM 49 CA SER A 6 10.046 -12.775 19.298 1.00 0.00 C ATOM 50 C SER A 6 9.112 -13.180 18.162 1.00 0.00 C ATOM 51 O SER A 6 9.217 -14.279 17.619 1.00 0.00 O ATOM 52 CB SER A 6 10.960 -11.637 18.840 1.00 0.00 C ATOM 53 OG SER A 6 11.908 -12.094 17.892 1.00 0.00 O ATOM 0 H SER A 6 11.841 -13.822 19.576 1.00 0.00 H new ATOM 0 HA SER A 6 9.441 -12.431 20.137 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.360 -10.838 18.403 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.477 -11.213 19.701 1.00 0.00 H new ATOM 0 HG SER A 6 12.479 -11.347 17.614 1.00 0.00 H new ATOM 59 N GLY A 7 8.196 -12.282 17.808 1.00 0.00 N ATOM 60 CA GLY A 7 7.256 -12.564 16.739 1.00 0.00 C ATOM 61 C GLY A 7 6.933 -11.335 15.912 1.00 0.00 C ATOM 62 O GLY A 7 6.223 -10.438 16.370 1.00 0.00 O ATOM 0 H GLY A 7 8.089 -11.365 18.242 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.669 -13.336 16.090 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.336 -12.964 17.165 1.00 0.00 H new ATOM 66 N THR A 8 7.456 -11.290 14.691 1.00 0.00 N ATOM 67 CA THR A 8 7.222 -10.161 13.800 1.00 0.00 C ATOM 68 C THR A 8 5.945 -10.356 12.989 1.00 0.00 C ATOM 69 O THR A 8 5.591 -11.480 12.635 1.00 0.00 O ATOM 70 CB THR A 8 8.403 -9.954 12.834 1.00 0.00 C ATOM 71 OG1 THR A 8 8.613 -11.137 12.055 1.00 0.00 O ATOM 72 CG2 THR A 8 9.673 -9.611 13.598 1.00 0.00 C ATOM 0 H THR A 8 8.045 -12.023 14.296 1.00 0.00 H new ATOM 0 HA THR A 8 7.118 -9.277 14.430 1.00 0.00 H new ATOM 0 HB THR A 8 8.161 -9.123 12.172 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.365 -10.996 11.442 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.494 -9.469 12.895 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.519 -8.693 14.166 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.917 -10.424 14.282 1.00 0.00 H new ATOM 80 N GLU A 9 5.260 -9.255 12.699 1.00 0.00 N ATOM 81 CA GLU A 9 4.023 -9.306 11.930 1.00 0.00 C ATOM 82 C GLU A 9 4.310 -9.255 10.432 1.00 0.00 C ATOM 83 O GLU A 9 4.882 -8.287 9.933 1.00 0.00 O ATOM 84 CB GLU A 9 3.103 -8.148 12.323 1.00 0.00 C ATOM 85 CG GLU A 9 3.718 -6.778 12.097 1.00 0.00 C ATOM 86 CD GLU A 9 3.175 -5.730 13.049 1.00 0.00 C ATOM 87 OE1 GLU A 9 3.684 -5.641 14.186 1.00 0.00 O ATOM 88 OE2 GLU A 9 2.242 -4.999 12.657 1.00 0.00 O ATOM 0 H GLU A 9 5.541 -8.317 12.985 1.00 0.00 H new ATOM 0 HA GLU A 9 3.525 -10.249 12.155 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.178 -8.220 11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.836 -8.248 13.375 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.799 -6.845 12.215 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.529 -6.464 11.071 1.00 0.00 H new ATOM 95 N GLU A 10 3.910 -10.305 9.722 1.00 0.00 N ATOM 96 CA GLU A 10 4.126 -10.380 8.282 1.00 0.00 C ATOM 97 C GLU A 10 2.799 -10.490 7.538 1.00 0.00 C ATOM 98 O GLU A 10 2.572 -9.797 6.546 1.00 0.00 O ATOM 99 CB GLU A 10 5.017 -11.577 7.939 1.00 0.00 C ATOM 100 CG GLU A 10 4.340 -12.920 8.155 1.00 0.00 C ATOM 101 CD GLU A 10 3.968 -13.160 9.605 1.00 0.00 C ATOM 102 OE1 GLU A 10 4.866 -13.080 10.469 1.00 0.00 O ATOM 103 OE2 GLU A 10 2.778 -13.427 9.877 1.00 0.00 O ATOM 0 H GLU A 10 3.435 -11.115 10.120 1.00 0.00 H new ATOM 0 HA GLU A 10 4.624 -9.463 7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.329 -11.500 6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.921 -11.533 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.442 -12.973 7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.004 -13.716 7.818 1.00 0.00 H new ATOM 110 N ARG A 11 1.926 -11.367 8.023 1.00 0.00 N ATOM 111 CA ARG A 11 0.622 -11.570 7.403 1.00 0.00 C ATOM 112 C ARG A 11 -0.502 -11.297 8.399 1.00 0.00 C ATOM 113 O ARG A 11 -0.673 -12.029 9.374 1.00 0.00 O ATOM 114 CB ARG A 11 0.506 -12.997 6.865 1.00 0.00 C ATOM 115 CG ARG A 11 1.318 -13.241 5.604 1.00 0.00 C ATOM 116 CD ARG A 11 1.124 -14.656 5.082 1.00 0.00 C ATOM 117 NE ARG A 11 1.394 -14.753 3.650 1.00 0.00 N ATOM 118 CZ ARG A 11 0.849 -15.671 2.859 1.00 0.00 C ATOM 119 NH1 ARG A 11 0.008 -16.566 3.359 1.00 0.00 N ATOM 120 NH2 ARG A 11 1.144 -15.694 1.566 1.00 0.00 N ATOM 0 H ARG A 11 2.098 -11.948 8.843 1.00 0.00 H new ATOM 0 HA ARG A 11 0.528 -10.868 6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.831 -13.695 7.637 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.542 -13.215 6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.024 -12.525 4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.374 -13.070 5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.784 -15.335 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.102 -14.979 5.281 1.00 0.00 H new ATOM 0 HE ARG A 11 2.036 -14.079 3.234 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.222 -16.551 4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.409 -17.270 2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.790 -15.006 1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.725 -16.399 0.960 1.00 0.00 H new ATOM 134 N LEU A 12 -1.264 -10.238 8.147 1.00 0.00 N ATOM 135 CA LEU A 12 -2.371 -9.867 9.021 1.00 0.00 C ATOM 136 C LEU A 12 -3.711 -10.115 8.337 1.00 0.00 C ATOM 137 O LEU A 12 -4.129 -9.347 7.469 1.00 0.00 O ATOM 138 CB LEU A 12 -2.256 -8.396 9.426 1.00 0.00 C ATOM 139 CG LEU A 12 -0.867 -7.926 9.858 1.00 0.00 C ATOM 140 CD1 LEU A 12 -0.865 -6.426 10.108 1.00 0.00 C ATOM 141 CD2 LEU A 12 -0.413 -8.675 11.103 1.00 0.00 C ATOM 0 H LEU A 12 -1.135 -9.621 7.345 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.320 -10.488 9.915 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.580 -7.782 8.586 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.952 -8.210 10.244 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.165 -8.141 9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.132 -6.110 10.415 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.146 -5.904 9.193 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.580 -6.187 10.896 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.578 -8.327 11.396 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.117 -8.491 11.915 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.374 -9.743 10.891 1.00 0.00 H new ATOM 153 N LYS A 13 -4.383 -11.190 8.734 1.00 0.00 N ATOM 154 CA LYS A 13 -5.678 -11.538 8.163 1.00 0.00 C ATOM 155 C LYS A 13 -6.808 -10.832 8.905 1.00 0.00 C ATOM 156 O LYS A 13 -7.667 -10.201 8.290 1.00 0.00 O ATOM 157 CB LYS A 13 -5.890 -13.053 8.212 1.00 0.00 C ATOM 158 CG LYS A 13 -6.905 -13.559 7.201 1.00 0.00 C ATOM 159 CD LYS A 13 -6.250 -13.885 5.869 1.00 0.00 C ATOM 160 CE LYS A 13 -7.205 -14.623 4.944 1.00 0.00 C ATOM 161 NZ LYS A 13 -7.519 -15.990 5.447 1.00 0.00 N ATOM 0 H LYS A 13 -4.051 -11.836 9.450 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.688 -11.209 7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.936 -13.551 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.217 -13.333 9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.398 -14.449 7.593 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.679 -12.806 7.052 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.918 -12.964 5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.362 -14.494 6.038 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.128 -14.052 4.844 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.765 -14.694 3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.940 -16.554 4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.645 -16.449 5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.192 -15.923 6.237 1.00 0.00 H new ATOM 175 N GLU A 14 -6.799 -10.941 10.230 1.00 0.00 N ATOM 176 CA GLU A 14 -7.824 -10.312 11.055 1.00 0.00 C ATOM 177 C GLU A 14 -7.694 -8.792 11.017 1.00 0.00 C ATOM 178 O GLU A 14 -8.659 -8.084 10.726 1.00 0.00 O ATOM 179 CB GLU A 14 -7.723 -10.808 12.499 1.00 0.00 C ATOM 180 CG GLU A 14 -8.918 -10.428 13.357 1.00 0.00 C ATOM 181 CD GLU A 14 -10.083 -11.385 13.191 1.00 0.00 C ATOM 182 OE1 GLU A 14 -9.871 -12.607 13.334 1.00 0.00 O ATOM 183 OE2 GLU A 14 -11.205 -10.911 12.918 1.00 0.00 O ATOM 0 H GLU A 14 -6.094 -11.459 10.755 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.799 -10.587 10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.619 -11.893 12.495 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.818 -10.403 12.951 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.617 -10.407 14.404 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.241 -9.420 13.098 1.00 0.00 H new ATOM 190 N ILE A 15 -6.497 -8.298 11.313 1.00 0.00 N ATOM 191 CA ILE A 15 -6.241 -6.863 11.312 1.00 0.00 C ATOM 192 C ILE A 15 -7.005 -6.169 10.190 1.00 0.00 C ATOM 193 O ILE A 15 -7.838 -5.299 10.439 1.00 0.00 O ATOM 194 CB ILE A 15 -4.739 -6.559 11.161 1.00 0.00 C ATOM 195 CG1 ILE A 15 -3.942 -7.249 12.270 1.00 0.00 C ATOM 196 CG2 ILE A 15 -4.498 -5.057 11.183 1.00 0.00 C ATOM 197 CD1 ILE A 15 -4.328 -6.797 13.661 1.00 0.00 C ATOM 0 H ILE A 15 -5.689 -8.870 11.557 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.585 -6.480 12.273 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.399 -6.948 10.201 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.086 -8.327 12.194 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.880 -7.058 12.116 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.432 -4.858 11.075 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.039 -4.590 10.360 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.850 -4.646 12.129 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.723 -7.327 14.397 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.157 -5.725 13.756 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.382 -7.013 13.834 1.00 0.00 H new ATOM 209 N GLU A 16 -6.715 -6.563 8.953 1.00 0.00 N ATOM 210 CA GLU A 16 -7.376 -5.978 7.792 1.00 0.00 C ATOM 211 C GLU A 16 -8.858 -5.742 8.071 1.00 0.00 C ATOM 212 O GLU A 16 -9.403 -4.690 7.738 1.00 0.00 O ATOM 213 CB GLU A 16 -7.214 -6.889 6.573 1.00 0.00 C ATOM 214 CG GLU A 16 -5.766 -7.124 6.177 1.00 0.00 C ATOM 215 CD GLU A 16 -5.625 -8.139 5.059 1.00 0.00 C ATOM 216 OE1 GLU A 16 -6.554 -8.246 4.233 1.00 0.00 O ATOM 217 OE2 GLU A 16 -4.583 -8.827 5.012 1.00 0.00 O ATOM 0 H GLU A 16 -6.028 -7.283 8.730 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.906 -5.017 7.584 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.685 -7.849 6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.746 -6.450 5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.321 -6.180 5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.206 -7.467 7.047 1.00 0.00 H new ATOM 224 N ALA A 17 -9.503 -6.729 8.684 1.00 0.00 N ATOM 225 CA ALA A 17 -10.920 -6.628 9.009 1.00 0.00 C ATOM 226 C ALA A 17 -11.218 -5.344 9.775 1.00 0.00 C ATOM 227 O ALA A 17 -12.201 -4.656 9.496 1.00 0.00 O ATOM 228 CB ALA A 17 -11.364 -7.840 9.815 1.00 0.00 C ATOM 0 H ALA A 17 -9.067 -7.607 8.965 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.480 -6.601 8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.424 -7.751 10.051 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.196 -8.746 9.232 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.790 -7.892 10.740 1.00 0.00 H new ATOM 234 N LYS A 18 -10.365 -5.025 10.742 1.00 0.00 N ATOM 235 CA LYS A 18 -10.536 -3.823 11.549 1.00 0.00 C ATOM 236 C LYS A 18 -10.694 -2.591 10.662 1.00 0.00 C ATOM 237 O LYS A 18 -11.678 -1.859 10.771 1.00 0.00 O ATOM 238 CB LYS A 18 -9.340 -3.639 12.486 1.00 0.00 C ATOM 239 CG LYS A 18 -9.120 -4.810 13.428 1.00 0.00 C ATOM 240 CD LYS A 18 -8.475 -4.365 14.730 1.00 0.00 C ATOM 241 CE LYS A 18 -8.749 -5.353 15.854 1.00 0.00 C ATOM 242 NZ LYS A 18 -7.724 -6.431 15.907 1.00 0.00 N ATOM 0 H LYS A 18 -9.547 -5.583 10.986 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.442 -3.940 12.144 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.441 -3.490 11.889 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.486 -2.733 13.074 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.074 -5.292 13.640 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.488 -5.554 12.943 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.399 -4.263 14.588 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.855 -3.382 15.008 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.768 -4.823 16.806 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.735 -5.796 15.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.946 -7.083 16.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.723 -6.953 15.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.786 -6.011 16.065 1.00 0.00 H new ATOM 256 N TYR A 19 -9.721 -2.370 9.786 1.00 0.00 N ATOM 257 CA TYR A 19 -9.753 -1.227 8.881 1.00 0.00 C ATOM 258 C TYR A 19 -11.121 -1.093 8.219 1.00 0.00 C ATOM 259 O TYR A 19 -11.700 -0.008 8.178 1.00 0.00 O ATOM 260 CB TYR A 19 -8.667 -1.365 7.812 1.00 0.00 C ATOM 261 CG TYR A 19 -7.305 -1.706 8.373 1.00 0.00 C ATOM 262 CD1 TYR A 19 -6.868 -1.156 9.571 1.00 0.00 C ATOM 263 CD2 TYR A 19 -6.456 -2.580 7.704 1.00 0.00 C ATOM 264 CE1 TYR A 19 -5.624 -1.464 10.087 1.00 0.00 C ATOM 265 CE2 TYR A 19 -5.211 -2.895 8.213 1.00 0.00 C ATOM 266 CZ TYR A 19 -4.799 -2.334 9.404 1.00 0.00 C ATOM 267 OH TYR A 19 -3.560 -2.645 9.915 1.00 0.00 O ATOM 0 H TYR A 19 -8.900 -2.967 9.683 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.564 -0.327 9.467 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.963 -2.139 7.103 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.597 -0.431 7.254 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.512 -0.476 10.109 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.775 -3.020 6.771 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.299 -1.026 11.019 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.564 -3.577 7.681 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.106 -3.271 9.314 1.00 0.00 H new ATOM 277 N ASP A 20 -11.631 -2.206 7.702 1.00 0.00 N ATOM 278 CA ASP A 20 -12.932 -2.216 7.042 1.00 0.00 C ATOM 279 C ASP A 20 -14.003 -1.613 7.945 1.00 0.00 C ATOM 280 O ASP A 20 -14.923 -0.946 7.472 1.00 0.00 O ATOM 281 CB ASP A 20 -13.319 -3.643 6.653 1.00 0.00 C ATOM 282 CG ASP A 20 -12.601 -4.118 5.406 1.00 0.00 C ATOM 283 OD1 ASP A 20 -11.439 -3.709 5.198 1.00 0.00 O ATOM 284 OD2 ASP A 20 -13.200 -4.899 4.636 1.00 0.00 O ATOM 0 H ASP A 20 -11.164 -3.112 7.727 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.859 -1.609 6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.090 -4.316 7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.396 -3.693 6.490 1.00 0.00 H new ATOM 289 N GLU A 21 -13.877 -1.853 9.247 1.00 0.00 N ATOM 290 CA GLU A 21 -14.837 -1.335 10.215 1.00 0.00 C ATOM 291 C GLU A 21 -14.759 0.187 10.297 1.00 0.00 C ATOM 292 O GLU A 21 -15.715 0.847 10.705 1.00 0.00 O ATOM 293 CB GLU A 21 -14.583 -1.945 11.595 1.00 0.00 C ATOM 294 CG GLU A 21 -15.501 -1.405 12.678 1.00 0.00 C ATOM 295 CD GLU A 21 -16.951 -1.790 12.459 1.00 0.00 C ATOM 296 OE1 GLU A 21 -17.325 -2.924 12.825 1.00 0.00 O ATOM 297 OE2 GLU A 21 -17.712 -0.959 11.921 1.00 0.00 O ATOM 0 H GLU A 21 -13.120 -2.402 9.655 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.837 -1.613 9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.705 -3.026 11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.548 -1.757 11.881 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.172 -1.779 13.648 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.418 -0.319 12.711 1.00 0.00 H new ATOM 304 N ILE A 22 -13.614 0.736 9.907 1.00 0.00 N ATOM 305 CA ILE A 22 -13.411 2.180 9.936 1.00 0.00 C ATOM 306 C ILE A 22 -13.914 2.831 8.653 1.00 0.00 C ATOM 307 O ILE A 22 -14.326 3.991 8.654 1.00 0.00 O ATOM 308 CB ILE A 22 -11.925 2.535 10.131 1.00 0.00 C ATOM 309 CG1 ILE A 22 -11.369 1.834 11.372 1.00 0.00 C ATOM 310 CG2 ILE A 22 -11.752 4.042 10.246 1.00 0.00 C ATOM 311 CD1 ILE A 22 -9.860 1.877 11.465 1.00 0.00 C ATOM 0 H ILE A 22 -12.813 0.204 9.567 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.982 2.563 10.782 1.00 0.00 H new ATOM 0 HB ILE A 22 -11.367 2.189 9.261 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.793 2.298 12.262 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.695 0.794 11.369 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.697 4.278 10.383 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.115 4.520 9.336 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -12.320 4.409 11.101 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.536 1.361 12.369 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -9.428 1.387 10.593 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.527 2.914 11.500 1.00 0.00 H new ATOM 323 N ALA A 23 -13.879 2.077 7.559 1.00 0.00 N ATOM 324 CA ALA A 23 -14.335 2.579 6.269 1.00 0.00 C ATOM 325 C ALA A 23 -15.673 1.960 5.880 1.00 0.00 C ATOM 326 O ALA A 23 -15.963 1.776 4.698 1.00 0.00 O ATOM 327 CB ALA A 23 -13.291 2.304 5.197 1.00 0.00 C ATOM 0 H ALA A 23 -13.539 1.115 7.541 1.00 0.00 H new ATOM 0 HA ALA A 23 -14.476 3.656 6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.645 2.684 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.358 2.801 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.122 1.230 5.121 1.00 0.00 H new ATOM 333 N LYS A 24 -16.484 1.638 6.882 1.00 0.00 N ATOM 334 CA LYS A 24 -17.792 1.039 6.646 1.00 0.00 C ATOM 335 C LYS A 24 -18.691 1.988 5.860 1.00 0.00 C ATOM 336 O LYS A 24 -19.384 1.574 4.930 1.00 0.00 O ATOM 337 CB LYS A 24 -18.456 0.674 7.975 1.00 0.00 C ATOM 338 CG LYS A 24 -18.180 -0.751 8.423 1.00 0.00 C ATOM 339 CD LYS A 24 -19.329 -1.310 9.244 1.00 0.00 C ATOM 340 CE LYS A 24 -19.002 -2.691 9.793 1.00 0.00 C ATOM 341 NZ LYS A 24 -20.084 -3.207 10.676 1.00 0.00 N ATOM 0 H LYS A 24 -16.258 1.782 7.866 1.00 0.00 H new ATOM 0 HA LYS A 24 -17.648 0.133 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -18.108 1.362 8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -19.533 0.815 7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.015 -1.382 7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -17.264 -0.777 9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -19.552 -0.633 10.069 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -20.225 -1.366 8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -18.847 -3.383 8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.067 -2.648 10.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -19.823 -4.150 11.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -20.215 -2.560 11.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -20.971 -3.273 10.136 1.00 0.00 H new ATOM 355 N ASP A 25 -18.674 3.261 6.238 1.00 0.00 N ATOM 356 CA ASP A 25 -19.486 4.269 5.566 1.00 0.00 C ATOM 357 C ASP A 25 -18.732 4.876 4.387 1.00 0.00 C ATOM 358 O ASP A 25 -19.337 5.289 3.397 1.00 0.00 O ATOM 359 CB ASP A 25 -19.889 5.368 6.550 1.00 0.00 C ATOM 360 CG ASP A 25 -20.450 4.810 7.843 1.00 0.00 C ATOM 361 OD1 ASP A 25 -21.305 3.902 7.777 1.00 0.00 O ATOM 362 OD2 ASP A 25 -20.034 5.281 8.922 1.00 0.00 O ATOM 0 H ASP A 25 -18.107 3.620 7.006 1.00 0.00 H new ATOM 0 HA ASP A 25 -20.385 3.783 5.188 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -19.021 5.989 6.772 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -20.633 6.014 6.084 1.00 0.00 H new ATOM 367 N TRP A 26 -17.410 4.929 4.500 1.00 0.00 N ATOM 368 CA TRP A 26 -16.574 5.487 3.444 1.00 0.00 C ATOM 369 C TRP A 26 -16.946 4.899 2.087 1.00 0.00 C ATOM 370 O TRP A 26 -16.981 3.683 1.900 1.00 0.00 O ATOM 371 CB TRP A 26 -15.097 5.222 3.740 1.00 0.00 C ATOM 372 CG TRP A 26 -14.653 5.754 5.070 1.00 0.00 C ATOM 373 CD1 TRP A 26 -15.448 6.273 6.051 1.00 0.00 C ATOM 374 CD2 TRP A 26 -13.310 5.819 5.562 1.00 0.00 C ATOM 375 NE1 TRP A 26 -14.680 6.658 7.124 1.00 0.00 N ATOM 376 CE2 TRP A 26 -13.366 6.389 6.849 1.00 0.00 C ATOM 377 CE3 TRP A 26 -12.067 5.450 5.042 1.00 0.00 C ATOM 378 CZ2 TRP A 26 -12.225 6.598 7.619 1.00 0.00 C ATOM 379 CZ3 TRP A 26 -10.936 5.658 5.807 1.00 0.00 C ATOM 380 CH2 TRP A 26 -11.021 6.227 7.085 1.00 0.00 C ATOM 0 H TRP A 26 -16.894 4.592 5.313 1.00 0.00 H new ATOM 0 HA TRP A 26 -16.744 6.563 3.412 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -14.914 4.148 3.707 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -14.490 5.673 2.955 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -16.522 6.367 5.993 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -15.032 7.076 7.985 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.992 5.010 4.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -12.288 7.038 8.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -9.970 5.378 5.414 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -10.119 6.376 7.660 1.00 0.00 H new ATOM 391 N PRO A 27 -17.230 5.780 1.117 1.00 0.00 N ATOM 392 CA PRO A 27 -17.604 5.370 -0.240 1.00 0.00 C ATOM 393 C PRO A 27 -16.435 4.758 -1.004 1.00 0.00 C ATOM 394 O PRO A 27 -15.273 5.054 -0.723 1.00 0.00 O ATOM 395 CB PRO A 27 -18.045 6.680 -0.898 1.00 0.00 C ATOM 396 CG PRO A 27 -17.323 7.744 -0.145 1.00 0.00 C ATOM 397 CD PRO A 27 -17.208 7.245 1.269 1.00 0.00 C ATOM 0 HA PRO A 27 -18.375 4.599 -0.234 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -17.785 6.698 -1.956 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -19.125 6.812 -0.832 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -16.339 7.927 -0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -17.868 8.687 -0.183 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -16.287 7.586 1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -18.033 7.597 1.888 1.00 0.00 H new ATOM 405 N LYS A 28 -16.748 3.903 -1.971 1.00 0.00 N ATOM 406 CA LYS A 28 -15.724 3.250 -2.778 1.00 0.00 C ATOM 407 C LYS A 28 -15.167 4.205 -3.828 1.00 0.00 C ATOM 408 O LYS A 28 -13.984 4.152 -4.165 1.00 0.00 O ATOM 409 CB LYS A 28 -16.299 2.005 -3.458 1.00 0.00 C ATOM 410 CG LYS A 28 -16.298 0.772 -2.572 1.00 0.00 C ATOM 411 CD LYS A 28 -14.884 0.314 -2.256 1.00 0.00 C ATOM 412 CE LYS A 28 -14.831 -1.181 -1.979 1.00 0.00 C ATOM 413 NZ LYS A 28 -14.653 -1.970 -3.229 1.00 0.00 N ATOM 0 H LYS A 28 -17.704 3.646 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.910 2.952 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.321 2.214 -3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.723 1.795 -4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.827 0.989 -1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.840 -0.033 -3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.227 0.554 -3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.509 0.859 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.010 -1.395 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.750 -1.491 -1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.622 -2.984 -2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.449 -1.786 -3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.764 -1.693 -3.691 1.00 0.00 H new ATOM 427 N LYS A 29 -16.025 5.080 -4.340 1.00 0.00 N ATOM 428 CA LYS A 29 -15.619 6.050 -5.350 1.00 0.00 C ATOM 429 C LYS A 29 -15.985 7.468 -4.921 1.00 0.00 C ATOM 430 O LYS A 29 -17.155 7.776 -4.695 1.00 0.00 O ATOM 431 CB LYS A 29 -16.278 5.726 -6.692 1.00 0.00 C ATOM 432 CG LYS A 29 -15.490 4.737 -7.534 1.00 0.00 C ATOM 433 CD LYS A 29 -14.477 5.442 -8.420 1.00 0.00 C ATOM 434 CE LYS A 29 -13.871 4.490 -9.440 1.00 0.00 C ATOM 435 NZ LYS A 29 -14.880 4.019 -10.428 1.00 0.00 N ATOM 0 H LYS A 29 -17.007 5.138 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.536 5.991 -5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.274 5.323 -6.510 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.406 6.650 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.975 4.031 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.175 4.158 -8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.959 6.272 -8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.686 5.867 -7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.056 4.990 -9.964 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.440 3.632 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.395 3.649 -11.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.457 3.266 -10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.494 4.812 -10.703 1.00 0.00 H new ATOM 449 N VAL A 30 -14.977 8.327 -4.812 1.00 0.00 N ATOM 450 CA VAL A 30 -15.193 9.713 -4.413 1.00 0.00 C ATOM 451 C VAL A 30 -14.867 10.670 -5.554 1.00 0.00 C ATOM 452 O VAL A 30 -13.897 10.474 -6.287 1.00 0.00 O ATOM 453 CB VAL A 30 -14.339 10.083 -3.186 1.00 0.00 C ATOM 454 CG1 VAL A 30 -12.862 9.866 -3.478 1.00 0.00 C ATOM 455 CG2 VAL A 30 -14.603 11.523 -2.770 1.00 0.00 C ATOM 0 H VAL A 30 -14.002 8.088 -4.994 1.00 0.00 H new ATOM 0 HA VAL A 30 -16.247 9.808 -4.154 1.00 0.00 H new ATOM 0 HB VAL A 30 -14.620 9.432 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.274 10.133 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.690 8.818 -3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.562 10.491 -4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -13.992 11.769 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.350 12.192 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -15.657 11.641 -2.517 1.00 0.00 H new ATOM 465 N LYS A 31 -15.683 11.709 -5.699 1.00 0.00 N ATOM 466 CA LYS A 31 -15.481 12.700 -6.749 1.00 0.00 C ATOM 467 C LYS A 31 -14.727 13.914 -6.215 1.00 0.00 C ATOM 468 O LYS A 31 -15.335 14.899 -5.795 1.00 0.00 O ATOM 469 CB LYS A 31 -16.827 13.138 -7.331 1.00 0.00 C ATOM 470 CG LYS A 31 -16.707 13.882 -8.649 1.00 0.00 C ATOM 471 CD LYS A 31 -17.923 13.655 -9.531 1.00 0.00 C ATOM 472 CE LYS A 31 -17.820 14.433 -10.834 1.00 0.00 C ATOM 473 NZ LYS A 31 -18.967 14.151 -11.741 1.00 0.00 N ATOM 0 H LYS A 31 -16.491 11.886 -5.102 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.883 12.241 -7.536 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.454 12.258 -7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.335 13.776 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.590 14.948 -8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -15.810 13.553 -9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.023 12.591 -9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -18.823 13.957 -8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.782 15.501 -10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.888 14.177 -11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.860 14.700 -12.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.988 13.136 -11.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.855 14.419 -11.271 1.00 0.00 H new ATOM 487 N HIS A 32 -13.401 13.836 -6.234 1.00 0.00 N ATOM 488 CA HIS A 32 -12.564 14.930 -5.753 1.00 0.00 C ATOM 489 C HIS A 32 -12.568 16.092 -6.741 1.00 0.00 C ATOM 490 O HIS A 32 -12.562 15.888 -7.955 1.00 0.00 O ATOM 491 CB HIS A 32 -11.133 14.443 -5.525 1.00 0.00 C ATOM 492 CG HIS A 32 -10.409 15.192 -4.449 1.00 0.00 C ATOM 493 ND1 HIS A 32 -9.649 16.316 -4.695 1.00 0.00 N ATOM 494 CD2 HIS A 32 -10.333 14.974 -3.116 1.00 0.00 C ATOM 495 CE1 HIS A 32 -9.136 16.756 -3.560 1.00 0.00 C ATOM 496 NE2 HIS A 32 -9.537 15.959 -2.586 1.00 0.00 N ATOM 0 H HIS A 32 -12.882 13.027 -6.577 1.00 0.00 H new ATOM 0 HA HIS A 32 -12.975 15.280 -4.806 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -11.155 13.384 -5.267 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.575 14.532 -6.457 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -9.505 16.741 -5.611 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -10.810 14.174 -2.570 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.498 17.620 -3.448 1.00 0.00 H new ATOM 504 N VAL A 33 -12.577 17.312 -6.213 1.00 0.00 N ATOM 505 CA VAL A 33 -12.582 18.507 -7.049 1.00 0.00 C ATOM 506 C VAL A 33 -11.334 18.571 -7.922 1.00 0.00 C ATOM 507 O VAL A 33 -11.417 18.821 -9.125 1.00 0.00 O ATOM 508 CB VAL A 33 -12.665 19.787 -6.196 1.00 0.00 C ATOM 509 CG1 VAL A 33 -11.506 19.851 -5.214 1.00 0.00 C ATOM 510 CG2 VAL A 33 -12.688 21.019 -7.088 1.00 0.00 C ATOM 0 H VAL A 33 -12.581 17.499 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.465 18.445 -7.686 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.592 19.763 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.582 20.762 -4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.540 18.984 -4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.564 19.853 -5.762 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.747 21.915 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.778 21.051 -7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.555 20.975 -7.747 1.00 0.00 H new ATOM 520 N LEU A 34 -10.177 18.344 -7.309 1.00 0.00 N ATOM 521 CA LEU A 34 -8.910 18.375 -8.031 1.00 0.00 C ATOM 522 C LEU A 34 -8.873 17.301 -9.113 1.00 0.00 C ATOM 523 O LEU A 34 -8.179 17.443 -10.120 1.00 0.00 O ATOM 524 CB LEU A 34 -7.743 18.178 -7.061 1.00 0.00 C ATOM 525 CG LEU A 34 -7.453 19.344 -6.115 1.00 0.00 C ATOM 526 CD1 LEU A 34 -6.655 18.868 -4.911 1.00 0.00 C ATOM 527 CD2 LEU A 34 -6.710 20.452 -6.846 1.00 0.00 C ATOM 0 H LEU A 34 -10.090 18.137 -6.314 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.817 19.350 -8.510 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.941 17.290 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.844 17.975 -7.642 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.403 19.744 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.458 19.711 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.225 18.110 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.710 18.441 -5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.512 21.273 -6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.766 20.065 -7.230 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.319 20.813 -7.675 1.00 0.00 H new ATOM 539 N HIS A 35 -9.626 16.226 -8.899 1.00 0.00 N ATOM 540 CA HIS A 35 -9.682 15.129 -9.858 1.00 0.00 C ATOM 541 C HIS A 35 -11.090 14.971 -10.423 1.00 0.00 C ATOM 542 O HIS A 35 -11.465 13.896 -10.889 1.00 0.00 O ATOM 543 CB HIS A 35 -9.235 13.824 -9.198 1.00 0.00 C ATOM 544 CG HIS A 35 -8.493 12.908 -10.122 1.00 0.00 C ATOM 545 ND1 HIS A 35 -7.177 13.106 -10.481 1.00 0.00 N ATOM 546 CD2 HIS A 35 -8.890 11.783 -10.761 1.00 0.00 C ATOM 547 CE1 HIS A 35 -6.796 12.143 -11.301 1.00 0.00 C ATOM 548 NE2 HIS A 35 -7.818 11.327 -11.487 1.00 0.00 N ATOM 0 H HIS A 35 -10.205 16.092 -8.070 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.005 15.363 -10.680 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.599 14.058 -8.344 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.111 13.304 -8.811 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.589 13.876 -10.163 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.868 11.329 -10.709 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.816 12.040 -11.744 1.00 0.00 H new ATOM 556 N GLU A 36 -11.865 16.050 -10.376 1.00 0.00 N ATOM 557 CA GLU A 36 -13.233 16.030 -10.881 1.00 0.00 C ATOM 558 C GLU A 36 -13.374 15.036 -12.031 1.00 0.00 C ATOM 559 O GLU A 36 -14.276 14.199 -12.033 1.00 0.00 O ATOM 560 CB GLU A 36 -13.649 17.427 -11.347 1.00 0.00 C ATOM 561 CG GLU A 36 -15.116 17.738 -11.105 1.00 0.00 C ATOM 562 CD GLU A 36 -15.689 18.688 -12.138 1.00 0.00 C ATOM 563 OE1 GLU A 36 -15.163 18.724 -13.270 1.00 0.00 O ATOM 564 OE2 GLU A 36 -16.666 19.397 -11.814 1.00 0.00 O ATOM 0 H GLU A 36 -11.569 16.948 -9.994 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.888 15.715 -10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.039 18.169 -10.832 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.437 17.524 -12.412 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.687 16.809 -11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -15.232 18.173 -10.112 1.00 0.00 H new ATOM 571 N GLU A 37 -12.475 15.136 -13.005 1.00 0.00 N ATOM 572 CA GLU A 37 -12.500 14.247 -14.161 1.00 0.00 C ATOM 573 C GLU A 37 -13.088 12.889 -13.789 1.00 0.00 C ATOM 574 O GLU A 37 -14.112 12.474 -14.333 1.00 0.00 O ATOM 575 CB GLU A 37 -11.089 14.066 -14.724 1.00 0.00 C ATOM 576 CG GLU A 37 -10.527 15.321 -15.370 1.00 0.00 C ATOM 577 CD GLU A 37 -10.059 16.343 -14.352 1.00 0.00 C ATOM 578 OE1 GLU A 37 -9.336 15.955 -13.411 1.00 0.00 O ATOM 579 OE2 GLU A 37 -10.416 17.531 -14.498 1.00 0.00 O ATOM 0 H GLU A 37 -11.721 15.823 -13.017 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.132 14.702 -14.924 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.423 13.752 -13.920 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.101 13.262 -15.460 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.692 15.050 -16.017 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.290 15.770 -16.006 1.00 0.00 H new ATOM 586 N HIS A 38 -12.433 12.201 -12.860 1.00 0.00 N ATOM 587 CA HIS A 38 -12.891 10.889 -12.415 1.00 0.00 C ATOM 588 C HIS A 38 -12.893 10.802 -10.891 1.00 0.00 C ATOM 589 O HIS A 38 -12.174 11.540 -10.218 1.00 0.00 O ATOM 590 CB HIS A 38 -12.002 9.790 -12.999 1.00 0.00 C ATOM 591 CG HIS A 38 -11.372 10.162 -14.306 1.00 0.00 C ATOM 592 ND1 HIS A 38 -10.011 10.115 -14.525 1.00 0.00 N ATOM 593 CD2 HIS A 38 -11.924 10.586 -15.466 1.00 0.00 C ATOM 594 CE1 HIS A 38 -9.754 10.497 -15.763 1.00 0.00 C ATOM 595 NE2 HIS A 38 -10.898 10.787 -16.356 1.00 0.00 N ATOM 0 H HIS A 38 -11.584 12.529 -12.400 1.00 0.00 H new ATOM 0 HA HIS A 38 -13.912 10.748 -12.771 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.217 9.549 -12.282 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.597 8.887 -13.136 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.976 10.738 -15.657 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.775 10.561 -16.214 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -11.002 11.108 -17.319 1.00 0.00 H new ATOM 603 N GLU A 39 -13.705 9.896 -10.356 1.00 0.00 N ATOM 604 CA GLU A 39 -13.800 9.715 -8.912 1.00 0.00 C ATOM 605 C GLU A 39 -12.774 8.697 -8.423 1.00 0.00 C ATOM 606 O GLU A 39 -12.775 7.542 -8.851 1.00 0.00 O ATOM 607 CB GLU A 39 -15.209 9.261 -8.525 1.00 0.00 C ATOM 608 CG GLU A 39 -16.304 10.194 -9.013 1.00 0.00 C ATOM 609 CD GLU A 39 -17.641 9.922 -8.351 1.00 0.00 C ATOM 610 OE1 GLU A 39 -17.651 9.616 -7.140 1.00 0.00 O ATOM 611 OE2 GLU A 39 -18.676 10.013 -9.043 1.00 0.00 O ATOM 0 H GLU A 39 -14.306 9.277 -10.900 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.591 10.673 -8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.385 8.265 -8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -15.270 9.179 -7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -16.010 11.226 -8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.410 10.090 -10.093 1.00 0.00 H new ATOM 618 N LEU A 40 -11.899 9.133 -7.523 1.00 0.00 N ATOM 619 CA LEU A 40 -10.866 8.261 -6.975 1.00 0.00 C ATOM 620 C LEU A 40 -11.482 7.017 -6.344 1.00 0.00 C ATOM 621 O LEU A 40 -12.690 6.960 -6.115 1.00 0.00 O ATOM 622 CB LEU A 40 -10.034 9.015 -5.936 1.00 0.00 C ATOM 623 CG LEU A 40 -9.342 10.288 -6.425 1.00 0.00 C ATOM 624 CD1 LEU A 40 -8.819 10.100 -7.841 1.00 0.00 C ATOM 625 CD2 LEU A 40 -10.295 11.472 -6.359 1.00 0.00 C ATOM 0 H LEU A 40 -11.884 10.085 -7.157 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.218 7.947 -7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.683 9.277 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.273 8.338 -5.548 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.495 10.493 -5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.330 11.016 -8.173 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.102 9.279 -7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.650 9.870 -8.508 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.786 12.369 -6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.162 11.276 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.621 11.620 -5.329 1.00 0.00 H new ATOM 637 N GLU A 41 -10.644 6.024 -6.064 1.00 0.00 N ATOM 638 CA GLU A 41 -11.107 4.782 -5.458 1.00 0.00 C ATOM 639 C GLU A 41 -10.326 4.474 -4.184 1.00 0.00 C ATOM 640 O GLU A 41 -9.094 4.453 -4.186 1.00 0.00 O ATOM 641 CB GLU A 41 -10.967 3.623 -6.447 1.00 0.00 C ATOM 642 CG GLU A 41 -11.674 2.353 -6.001 1.00 0.00 C ATOM 643 CD GLU A 41 -10.808 1.488 -5.106 1.00 0.00 C ATOM 644 OE1 GLU A 41 -9.733 1.049 -5.565 1.00 0.00 O ATOM 645 OE2 GLU A 41 -11.205 1.251 -3.946 1.00 0.00 O ATOM 0 H GLU A 41 -9.641 6.056 -6.247 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.159 4.904 -5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.366 3.931 -7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.909 3.407 -6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.588 2.618 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.970 1.779 -6.879 1.00 0.00 H new ATOM 652 N LEU A 42 -11.051 4.235 -3.096 1.00 0.00 N ATOM 653 CA LEU A 42 -10.428 3.928 -1.813 1.00 0.00 C ATOM 654 C LEU A 42 -9.457 2.759 -1.945 1.00 0.00 C ATOM 655 O LEU A 42 -9.850 1.596 -1.846 1.00 0.00 O ATOM 656 CB LEU A 42 -11.497 3.603 -0.769 1.00 0.00 C ATOM 657 CG LEU A 42 -11.058 3.698 0.693 1.00 0.00 C ATOM 658 CD1 LEU A 42 -10.712 5.134 1.054 1.00 0.00 C ATOM 659 CD2 LEU A 42 -12.147 3.162 1.611 1.00 0.00 C ATOM 0 H LEU A 42 -12.071 4.248 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.869 4.806 -1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.340 4.278 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.861 2.592 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.165 3.087 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.402 5.182 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.899 5.483 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.587 5.767 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.818 3.237 2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -13.057 3.746 1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.346 2.118 1.368 1.00 0.00 H new ATOM 671 N THR A 43 -8.185 3.075 -2.168 1.00 0.00 N ATOM 672 CA THR A 43 -7.157 2.051 -2.313 1.00 0.00 C ATOM 673 C THR A 43 -6.355 1.892 -1.026 1.00 0.00 C ATOM 674 O THR A 43 -5.952 2.878 -0.409 1.00 0.00 O ATOM 675 CB THR A 43 -6.193 2.382 -3.468 1.00 0.00 C ATOM 676 OG1 THR A 43 -6.867 2.243 -4.723 1.00 0.00 O ATOM 677 CG2 THR A 43 -4.976 1.470 -3.435 1.00 0.00 C ATOM 0 H THR A 43 -7.842 4.032 -2.252 1.00 0.00 H new ATOM 0 HA THR A 43 -7.671 1.116 -2.536 1.00 0.00 H new ATOM 0 HB THR A 43 -5.858 3.412 -3.349 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.623 2.866 -4.759 1.00 0.00 H new ATOM 0 HG21 THR A 43 -4.310 1.722 -4.260 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.449 1.601 -2.490 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.296 0.433 -3.532 1.00 0.00 H new ATOM 685 N ARG A 44 -6.127 0.645 -0.627 1.00 0.00 N ATOM 686 CA ARG A 44 -5.373 0.357 0.587 1.00 0.00 C ATOM 687 C ARG A 44 -3.898 0.702 0.406 1.00 0.00 C ATOM 688 O ARG A 44 -3.253 0.240 -0.536 1.00 0.00 O ATOM 689 CB ARG A 44 -5.520 -1.118 0.966 1.00 0.00 C ATOM 690 CG ARG A 44 -6.696 -1.395 1.888 1.00 0.00 C ATOM 691 CD ARG A 44 -6.535 -0.688 3.225 1.00 0.00 C ATOM 692 NE ARG A 44 -5.146 -0.675 3.673 1.00 0.00 N ATOM 693 CZ ARG A 44 -4.495 -1.759 4.083 1.00 0.00 C ATOM 694 NH1 ARG A 44 -5.106 -2.935 4.101 1.00 0.00 N ATOM 695 NH2 ARG A 44 -3.231 -1.667 4.476 1.00 0.00 N ATOM 0 H ARG A 44 -6.454 -0.182 -1.127 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.777 0.974 1.390 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.635 -1.708 0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.603 -1.453 1.450 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.619 -1.067 1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.786 -2.469 2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.898 0.336 3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.153 -1.184 3.974 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.647 0.215 3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.078 -3.010 3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.605 -3.765 4.416 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.758 -0.764 4.464 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.733 -2.500 4.790 1.00 0.00 H new ATOM 709 N VAL A 45 -3.371 1.517 1.313 1.00 0.00 N ATOM 710 CA VAL A 45 -1.972 1.924 1.254 1.00 0.00 C ATOM 711 C VAL A 45 -1.390 2.097 2.653 1.00 0.00 C ATOM 712 O VAL A 45 -2.038 2.652 3.540 1.00 0.00 O ATOM 713 CB VAL A 45 -1.803 3.241 0.473 1.00 0.00 C ATOM 714 CG1 VAL A 45 -0.345 3.677 0.470 1.00 0.00 C ATOM 715 CG2 VAL A 45 -2.325 3.088 -0.947 1.00 0.00 C ATOM 0 H VAL A 45 -3.891 1.909 2.098 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.433 1.131 0.735 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.388 4.015 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.245 4.609 -0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.008 3.829 1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.264 2.906 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.198 4.028 -1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.769 2.301 -1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.383 2.826 -0.920 1.00 0.00 H new ATOM 725 N GLN A 46 -0.165 1.620 2.842 1.00 0.00 N ATOM 726 CA GLN A 46 0.504 1.722 4.134 1.00 0.00 C ATOM 727 C GLN A 46 0.893 3.166 4.432 1.00 0.00 C ATOM 728 O GLN A 46 0.630 3.678 5.520 1.00 0.00 O ATOM 729 CB GLN A 46 1.747 0.830 4.160 1.00 0.00 C ATOM 730 CG GLN A 46 2.645 1.075 5.362 1.00 0.00 C ATOM 731 CD GLN A 46 1.986 0.692 6.671 1.00 0.00 C ATOM 732 OE1 GLN A 46 1.479 -0.420 6.823 1.00 0.00 O ATOM 733 NE2 GLN A 46 1.989 1.613 7.628 1.00 0.00 N ATOM 0 H GLN A 46 0.385 1.159 2.117 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.191 1.386 4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.435 -0.214 4.157 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.321 0.994 3.248 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.567 0.506 5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.923 2.129 5.394 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.420 2.522 7.460 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.560 1.411 8.531 1.00 0.00 H new ATOM 742 N VAL A 47 1.522 3.818 3.459 1.00 0.00 N ATOM 743 CA VAL A 47 1.947 5.203 3.618 1.00 0.00 C ATOM 744 C VAL A 47 1.977 5.926 2.276 1.00 0.00 C ATOM 745 O VAL A 47 2.268 5.325 1.241 1.00 0.00 O ATOM 746 CB VAL A 47 3.341 5.292 4.267 1.00 0.00 C ATOM 747 CG1 VAL A 47 3.991 6.631 3.955 1.00 0.00 C ATOM 748 CG2 VAL A 47 3.243 5.075 5.769 1.00 0.00 C ATOM 0 H VAL A 47 1.748 3.409 2.552 1.00 0.00 H new ATOM 0 HA VAL A 47 1.219 5.684 4.271 1.00 0.00 H new ATOM 0 HB VAL A 47 3.968 4.505 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.975 6.675 4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.096 6.742 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.368 7.437 4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.237 5.141 6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.600 5.839 6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.822 4.089 5.968 1.00 0.00 H new ATOM 758 N TYR A 48 1.674 7.219 2.300 1.00 0.00 N ATOM 759 CA TYR A 48 1.664 8.024 1.084 1.00 0.00 C ATOM 760 C TYR A 48 1.688 9.513 1.417 1.00 0.00 C ATOM 761 O TYR A 48 1.798 9.900 2.581 1.00 0.00 O ATOM 762 CB TYR A 48 0.429 7.699 0.242 1.00 0.00 C ATOM 763 CG TYR A 48 -0.875 8.070 0.910 1.00 0.00 C ATOM 764 CD1 TYR A 48 -1.440 7.250 1.879 1.00 0.00 C ATOM 765 CD2 TYR A 48 -1.542 9.242 0.574 1.00 0.00 C ATOM 766 CE1 TYR A 48 -2.632 7.585 2.491 1.00 0.00 C ATOM 767 CE2 TYR A 48 -2.733 9.586 1.182 1.00 0.00 C ATOM 768 CZ TYR A 48 -3.275 8.754 2.140 1.00 0.00 C ATOM 769 OH TYR A 48 -4.461 9.092 2.749 1.00 0.00 O ATOM 0 H TYR A 48 1.432 7.732 3.148 1.00 0.00 H new ATOM 0 HA TYR A 48 2.560 7.783 0.512 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.501 8.223 -0.711 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.422 6.632 0.019 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.939 6.335 2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.121 9.895 -0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.059 6.935 3.241 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.237 10.501 0.909 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.950 8.277 2.988 1.00 0.00 H new ATOM 779 N THR A 49 1.584 10.345 0.385 1.00 0.00 N ATOM 780 CA THR A 49 1.595 11.791 0.565 1.00 0.00 C ATOM 781 C THR A 49 0.396 12.439 -0.119 1.00 0.00 C ATOM 782 O THR A 49 0.362 12.568 -1.343 1.00 0.00 O ATOM 783 CB THR A 49 2.888 12.417 0.011 1.00 0.00 C ATOM 784 OG1 THR A 49 4.015 11.605 0.361 1.00 0.00 O ATOM 785 CG2 THR A 49 3.084 13.825 0.553 1.00 0.00 C ATOM 0 H THR A 49 1.491 10.041 -0.584 1.00 0.00 H new ATOM 0 HA THR A 49 1.542 11.976 1.638 1.00 0.00 H new ATOM 0 HB THR A 49 2.802 12.471 -1.074 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.833 12.009 0.003 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.004 14.246 0.147 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.239 14.449 0.260 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.149 13.790 1.640 1.00 0.00 H new ATOM 793 N CYS A 50 -0.585 12.846 0.679 1.00 0.00 N ATOM 794 CA CYS A 50 -1.787 13.482 0.151 1.00 0.00 C ATOM 795 C CYS A 50 -1.436 14.751 -0.620 1.00 0.00 C ATOM 796 O CYS A 50 -0.711 15.612 -0.122 1.00 0.00 O ATOM 797 CB CYS A 50 -2.755 13.814 1.288 1.00 0.00 C ATOM 798 SG CYS A 50 -4.333 14.537 0.734 1.00 0.00 S ATOM 0 H CYS A 50 -0.572 12.747 1.694 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.268 12.783 -0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.962 12.904 1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.270 14.509 1.973 1.00 0.00 H new ATOM 803 N ASP A 51 -1.956 14.859 -1.838 1.00 0.00 N ATOM 804 CA ASP A 51 -1.700 16.023 -2.678 1.00 0.00 C ATOM 805 C ASP A 51 -2.806 17.061 -2.520 1.00 0.00 C ATOM 806 O ASP A 51 -3.074 17.843 -3.432 1.00 0.00 O ATOM 807 CB ASP A 51 -1.584 15.604 -4.145 1.00 0.00 C ATOM 808 CG ASP A 51 -1.114 16.737 -5.035 1.00 0.00 C ATOM 809 OD1 ASP A 51 0.009 17.239 -4.815 1.00 0.00 O ATOM 810 OD2 ASP A 51 -1.868 17.122 -5.953 1.00 0.00 O ATOM 0 H ASP A 51 -2.557 14.155 -2.265 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.758 16.470 -2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.889 14.769 -4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.553 15.248 -4.496 1.00 0.00 H new ATOM 815 N LYS A 52 -3.447 17.063 -1.356 1.00 0.00 N ATOM 816 CA LYS A 52 -4.524 18.005 -1.076 1.00 0.00 C ATOM 817 C LYS A 52 -4.187 18.875 0.131 1.00 0.00 C ATOM 818 O LYS A 52 -4.211 20.103 0.051 1.00 0.00 O ATOM 819 CB LYS A 52 -5.834 17.254 -0.827 1.00 0.00 C ATOM 820 CG LYS A 52 -7.050 18.161 -0.749 1.00 0.00 C ATOM 821 CD LYS A 52 -8.168 17.527 0.061 1.00 0.00 C ATOM 822 CE LYS A 52 -9.311 18.503 0.292 1.00 0.00 C ATOM 823 NZ LYS A 52 -9.012 19.457 1.395 1.00 0.00 N ATOM 0 H LYS A 52 -3.239 16.422 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.642 18.652 -1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.984 16.527 -1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.750 16.692 0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.767 19.112 -0.298 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.407 18.379 -1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.541 16.645 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.777 17.189 1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.505 19.058 -0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.220 17.949 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.602 20.307 1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.216 19.006 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.008 19.726 1.359 1.00 0.00 H new ATOM 837 N CYS A 53 -3.870 18.230 1.249 1.00 0.00 N ATOM 838 CA CYS A 53 -3.527 18.943 2.473 1.00 0.00 C ATOM 839 C CYS A 53 -2.048 18.771 2.806 1.00 0.00 C ATOM 840 O CYS A 53 -1.571 19.263 3.829 1.00 0.00 O ATOM 841 CB CYS A 53 -4.385 18.444 3.637 1.00 0.00 C ATOM 842 SG CYS A 53 -4.089 16.704 4.086 1.00 0.00 S ATOM 0 H CYS A 53 -3.844 17.214 1.332 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.725 20.003 2.314 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -4.195 19.070 4.509 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -5.437 18.568 3.378 1.00 0.00 H new ATOM 847 N GLU A 54 -1.329 18.069 1.936 1.00 0.00 N ATOM 848 CA GLU A 54 0.096 17.832 2.139 1.00 0.00 C ATOM 849 C GLU A 54 0.336 17.008 3.401 1.00 0.00 C ATOM 850 O GLU A 54 1.148 17.376 4.248 1.00 0.00 O ATOM 851 CB GLU A 54 0.849 19.161 2.233 1.00 0.00 C ATOM 852 CG GLU A 54 1.081 19.825 0.886 1.00 0.00 C ATOM 853 CD GLU A 54 2.378 19.386 0.235 1.00 0.00 C ATOM 854 OE1 GLU A 54 2.618 18.163 0.155 1.00 0.00 O ATOM 855 OE2 GLU A 54 3.153 20.266 -0.195 1.00 0.00 O ATOM 0 H GLU A 54 -1.709 17.655 1.085 1.00 0.00 H new ATOM 0 HA GLU A 54 0.470 17.271 1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.288 19.842 2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.812 18.990 2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.249 19.592 0.222 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.092 20.907 1.016 1.00 0.00 H new ATOM 862 N GLU A 55 -0.378 15.893 3.517 1.00 0.00 N ATOM 863 CA GLU A 55 -0.243 15.018 4.676 1.00 0.00 C ATOM 864 C GLU A 55 0.092 13.593 4.246 1.00 0.00 C ATOM 865 O GLU A 55 0.340 13.331 3.070 1.00 0.00 O ATOM 866 CB GLU A 55 -1.533 15.024 5.500 1.00 0.00 C ATOM 867 CG GLU A 55 -1.655 16.218 6.431 1.00 0.00 C ATOM 868 CD GLU A 55 -0.951 15.999 7.756 1.00 0.00 C ATOM 869 OE1 GLU A 55 -1.543 15.344 8.640 1.00 0.00 O ATOM 870 OE2 GLU A 55 0.190 16.482 7.909 1.00 0.00 O ATOM 0 H GLU A 55 -1.055 15.574 2.824 1.00 0.00 H new ATOM 0 HA GLU A 55 0.574 15.395 5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.387 15.013 4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.582 14.108 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.237 17.099 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.709 16.425 6.614 1.00 0.00 H new ATOM 877 N GLU A 56 0.099 12.677 5.209 1.00 0.00 N ATOM 878 CA GLU A 56 0.406 11.279 4.930 1.00 0.00 C ATOM 879 C GLU A 56 -0.622 10.356 5.579 1.00 0.00 C ATOM 880 O GLU A 56 -0.733 10.296 6.803 1.00 0.00 O ATOM 881 CB GLU A 56 1.809 10.931 5.433 1.00 0.00 C ATOM 882 CG GLU A 56 2.051 9.438 5.577 1.00 0.00 C ATOM 883 CD GLU A 56 3.329 9.124 6.331 1.00 0.00 C ATOM 884 OE1 GLU A 56 4.369 9.740 6.015 1.00 0.00 O ATOM 885 OE2 GLU A 56 3.290 8.264 7.235 1.00 0.00 O ATOM 0 H GLU A 56 -0.104 12.877 6.188 1.00 0.00 H new ATOM 0 HA GLU A 56 0.369 11.134 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.546 11.345 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.969 11.411 6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.206 8.985 6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.097 8.984 4.587 1.00 0.00 H new ATOM 892 N GLY A 57 -1.373 9.639 4.748 1.00 0.00 N ATOM 893 CA GLY A 57 -2.382 8.730 5.258 1.00 0.00 C ATOM 894 C GLY A 57 -1.820 7.359 5.579 1.00 0.00 C ATOM 895 O GLY A 57 -0.621 7.120 5.427 1.00 0.00 O ATOM 0 H GLY A 57 -1.300 9.672 3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.829 9.155 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.180 8.629 4.523 1.00 0.00 H new ATOM 899 N THR A 58 -2.686 6.455 6.027 1.00 0.00 N ATOM 900 CA THR A 58 -2.268 5.103 6.373 1.00 0.00 C ATOM 901 C THR A 58 -3.448 4.138 6.339 1.00 0.00 C ATOM 902 O THR A 58 -4.538 4.458 6.813 1.00 0.00 O ATOM 903 CB THR A 58 -1.620 5.055 7.770 1.00 0.00 C ATOM 904 OG1 THR A 58 -2.462 5.714 8.723 1.00 0.00 O ATOM 905 CG2 THR A 58 -0.250 5.714 7.754 1.00 0.00 C ATOM 0 H THR A 58 -3.681 6.635 6.159 1.00 0.00 H new ATOM 0 HA THR A 58 -1.532 4.799 5.629 1.00 0.00 H new ATOM 0 HB THR A 58 -1.499 4.010 8.055 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.044 5.678 9.609 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.188 5.668 8.751 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.397 5.191 7.049 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.351 6.756 7.450 1.00 0.00 H new ATOM 913 N ILE A 59 -3.222 2.955 5.777 1.00 0.00 N ATOM 914 CA ILE A 59 -4.267 1.943 5.683 1.00 0.00 C ATOM 915 C ILE A 59 -5.509 2.497 4.992 1.00 0.00 C ATOM 916 O ILE A 59 -6.618 2.007 5.203 1.00 0.00 O ATOM 917 CB ILE A 59 -4.661 1.410 7.073 1.00 0.00 C ATOM 918 CG1 ILE A 59 -3.410 1.061 7.883 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.567 0.195 6.938 1.00 0.00 C ATOM 920 CD1 ILE A 59 -2.505 0.062 7.196 1.00 0.00 C ATOM 0 H ILE A 59 -2.325 2.674 5.380 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.860 1.123 5.091 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.208 2.190 7.603 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.848 1.974 8.079 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.713 0.660 8.850 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.837 -0.170 7.929 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.471 0.473 6.396 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.044 -0.590 6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.639 -0.138 7.827 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.051 -0.866 7.024 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.172 0.469 6.241 1.00 0.00 H new ATOM 932 N TRP A 60 -5.313 3.518 4.167 1.00 0.00 N ATOM 933 CA TRP A 60 -6.418 4.138 3.443 1.00 0.00 C ATOM 934 C TRP A 60 -5.919 5.276 2.560 1.00 0.00 C ATOM 935 O TRP A 60 -5.072 6.069 2.972 1.00 0.00 O ATOM 936 CB TRP A 60 -7.468 4.660 4.424 1.00 0.00 C ATOM 937 CG TRP A 60 -8.416 3.600 4.899 1.00 0.00 C ATOM 938 CD1 TRP A 60 -8.815 3.374 6.186 1.00 0.00 C ATOM 939 CD2 TRP A 60 -9.081 2.621 4.093 1.00 0.00 C ATOM 940 NE1 TRP A 60 -9.688 2.314 6.228 1.00 0.00 N ATOM 941 CE2 TRP A 60 -9.868 1.835 4.957 1.00 0.00 C ATOM 942 CE3 TRP A 60 -9.089 2.333 2.726 1.00 0.00 C ATOM 943 CZ2 TRP A 60 -10.653 0.782 4.496 1.00 0.00 C ATOM 944 CZ3 TRP A 60 -9.868 1.287 2.270 1.00 0.00 C ATOM 945 CH2 TRP A 60 -10.642 0.522 3.153 1.00 0.00 C ATOM 0 H TRP A 60 -4.401 3.935 3.982 1.00 0.00 H new ATOM 0 HA TRP A 60 -6.873 3.380 2.805 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.964 5.099 5.285 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -8.036 5.458 3.946 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -8.492 3.945 7.044 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -10.130 1.944 7.069 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -8.497 2.918 2.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -11.250 0.191 5.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -9.881 1.055 1.215 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -11.241 -0.289 2.766 1.00 0.00 H new ATOM 956 N SER A 61 -6.450 5.351 1.343 1.00 0.00 N ATOM 957 CA SER A 61 -6.056 6.392 0.401 1.00 0.00 C ATOM 958 C SER A 61 -6.830 6.261 -0.907 1.00 0.00 C ATOM 959 O SER A 61 -6.768 5.231 -1.579 1.00 0.00 O ATOM 960 CB SER A 61 -4.553 6.318 0.126 1.00 0.00 C ATOM 961 OG SER A 61 -4.120 4.973 0.018 1.00 0.00 O ATOM 0 H SER A 61 -7.153 4.704 0.987 1.00 0.00 H new ATOM 0 HA SER A 61 -6.290 7.359 0.847 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.322 6.853 -0.795 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.008 6.815 0.929 1.00 0.00 H new ATOM 0 HG SER A 61 -4.877 4.405 -0.237 1.00 0.00 H new ATOM 967 N TYR A 62 -7.560 7.313 -1.263 1.00 0.00 N ATOM 968 CA TYR A 62 -8.349 7.316 -2.489 1.00 0.00 C ATOM 969 C TYR A 62 -7.458 7.524 -3.710 1.00 0.00 C ATOM 970 O TYR A 62 -7.083 8.650 -4.036 1.00 0.00 O ATOM 971 CB TYR A 62 -9.415 8.411 -2.431 1.00 0.00 C ATOM 972 CG TYR A 62 -10.640 8.022 -1.634 1.00 0.00 C ATOM 973 CD1 TYR A 62 -11.518 7.052 -2.102 1.00 0.00 C ATOM 974 CD2 TYR A 62 -10.919 8.623 -0.413 1.00 0.00 C ATOM 975 CE1 TYR A 62 -12.638 6.694 -1.378 1.00 0.00 C ATOM 976 CE2 TYR A 62 -12.036 8.270 0.319 1.00 0.00 C ATOM 977 CZ TYR A 62 -12.893 7.305 -0.168 1.00 0.00 C ATOM 978 OH TYR A 62 -14.008 6.950 0.557 1.00 0.00 O ATOM 0 H TYR A 62 -7.621 8.174 -0.720 1.00 0.00 H new ATOM 0 HA TYR A 62 -8.837 6.346 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.978 9.309 -1.994 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -9.718 8.665 -3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.321 6.570 -3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -10.251 9.380 -0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.311 5.939 -1.757 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -12.237 8.747 1.267 1.00 0.00 H new ATOM 0 HH TYR A 62 -14.347 6.089 0.235 1.00 0.00 H new ATOM 988 N HIS A 63 -7.122 6.427 -4.382 1.00 0.00 N ATOM 989 CA HIS A 63 -6.275 6.487 -5.568 1.00 0.00 C ATOM 990 C HIS A 63 -7.069 6.126 -6.821 1.00 0.00 C ATOM 991 O HIS A 63 -8.106 5.466 -6.743 1.00 0.00 O ATOM 992 CB HIS A 63 -5.082 5.543 -5.417 1.00 0.00 C ATOM 993 CG HIS A 63 -4.587 4.990 -6.719 1.00 0.00 C ATOM 994 ND1 HIS A 63 -3.282 5.121 -7.144 1.00 0.00 N ATOM 995 CD2 HIS A 63 -5.230 4.301 -7.690 1.00 0.00 C ATOM 996 CE1 HIS A 63 -3.144 4.538 -8.321 1.00 0.00 C ATOM 997 NE2 HIS A 63 -4.311 4.031 -8.674 1.00 0.00 N ATOM 0 H HIS A 63 -7.423 5.487 -4.126 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.909 7.509 -5.672 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.268 6.075 -4.925 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.363 4.717 -4.764 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.539 5.594 -6.630 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.272 4.016 -7.691 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.232 4.485 -8.897 1.00 0.00 H new ATOM 1005 N CYS A 64 -6.577 6.565 -7.974 1.00 0.00 N ATOM 1006 CA CYS A 64 -7.239 6.290 -9.243 1.00 0.00 C ATOM 1007 C CYS A 64 -6.330 5.487 -10.169 1.00 0.00 C ATOM 1008 O CYS A 64 -5.287 5.973 -10.606 1.00 0.00 O ATOM 1009 CB CYS A 64 -7.650 7.599 -9.922 1.00 0.00 C ATOM 1010 SG CYS A 64 -8.447 7.376 -11.545 1.00 0.00 S ATOM 0 H CYS A 64 -5.721 7.113 -8.056 1.00 0.00 H new ATOM 0 HA CYS A 64 -8.131 5.699 -9.038 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.333 8.138 -9.265 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.766 8.225 -10.046 1.00 0.00 H new ATOM 1015 N ASP A 65 -6.734 4.257 -10.464 1.00 0.00 N ATOM 1016 CA ASP A 65 -5.957 3.386 -11.339 1.00 0.00 C ATOM 1017 C ASP A 65 -5.920 3.938 -12.761 1.00 0.00 C ATOM 1018 O ASP A 65 -5.350 3.322 -13.661 1.00 0.00 O ATOM 1019 CB ASP A 65 -6.545 1.974 -11.342 1.00 0.00 C ATOM 1020 CG ASP A 65 -8.050 1.974 -11.529 1.00 0.00 C ATOM 1021 OD1 ASP A 65 -8.761 2.433 -10.611 1.00 0.00 O ATOM 1022 OD2 ASP A 65 -8.516 1.514 -12.592 1.00 0.00 O ATOM 0 H ASP A 65 -7.595 3.840 -10.110 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.937 3.345 -10.957 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -6.083 1.393 -12.140 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.298 1.479 -10.403 1.00 0.00 H new ATOM 1027 N GLU A 66 -6.533 5.102 -12.955 1.00 0.00 N ATOM 1028 CA GLU A 66 -6.571 5.735 -14.268 1.00 0.00 C ATOM 1029 C GLU A 66 -5.666 6.963 -14.306 1.00 0.00 C ATOM 1030 O GLU A 66 -5.184 7.361 -15.367 1.00 0.00 O ATOM 1031 CB GLU A 66 -8.004 6.133 -14.625 1.00 0.00 C ATOM 1032 CG GLU A 66 -8.257 6.221 -16.121 1.00 0.00 C ATOM 1033 CD GLU A 66 -9.721 6.432 -16.454 1.00 0.00 C ATOM 1034 OE1 GLU A 66 -10.351 7.309 -15.827 1.00 0.00 O ATOM 1035 OE2 GLU A 66 -10.236 5.720 -17.341 1.00 0.00 O ATOM 0 H GLU A 66 -7.009 5.625 -12.220 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.208 5.015 -15.001 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.692 5.408 -14.191 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.228 7.098 -14.170 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.672 7.041 -16.537 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.908 5.306 -16.599 1.00 0.00 H new ATOM 1042 N CYS A 67 -5.440 7.560 -13.141 1.00 0.00 N ATOM 1043 CA CYS A 67 -4.594 8.744 -13.039 1.00 0.00 C ATOM 1044 C CYS A 67 -3.631 8.624 -11.861 1.00 0.00 C ATOM 1045 O CYS A 67 -3.162 9.629 -11.325 1.00 0.00 O ATOM 1046 CB CYS A 67 -5.454 9.999 -12.884 1.00 0.00 C ATOM 1047 SG CYS A 67 -6.862 10.083 -14.037 1.00 0.00 S ATOM 0 H CYS A 67 -5.831 7.244 -12.254 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.010 8.823 -13.956 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -5.832 10.044 -11.862 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.826 10.877 -13.030 1.00 0.00 H new ATOM 1052 N ASP A 68 -3.341 7.390 -11.464 1.00 0.00 N ATOM 1053 CA ASP A 68 -2.433 7.139 -10.351 1.00 0.00 C ATOM 1054 C ASP A 68 -2.516 8.260 -9.319 1.00 0.00 C ATOM 1055 O ASP A 68 -1.506 8.871 -8.969 1.00 0.00 O ATOM 1056 CB ASP A 68 -0.997 7.000 -10.857 1.00 0.00 C ATOM 1057 CG ASP A 68 -0.551 8.200 -11.669 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -1.217 8.515 -12.678 1.00 0.00 O ATOM 1059 OD2 ASP A 68 0.464 8.824 -11.296 1.00 0.00 O ATOM 0 H ASP A 68 -3.721 6.548 -11.896 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.733 6.206 -9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.326 6.870 -10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.915 6.101 -11.468 1.00 0.00 H new ATOM 1064 N PHE A 69 -3.725 8.525 -8.836 1.00 0.00 N ATOM 1065 CA PHE A 69 -3.940 9.574 -7.846 1.00 0.00 C ATOM 1066 C PHE A 69 -3.914 9.000 -6.432 1.00 0.00 C ATOM 1067 O PHE A 69 -3.862 7.785 -6.245 1.00 0.00 O ATOM 1068 CB PHE A 69 -5.274 10.278 -8.099 1.00 0.00 C ATOM 1069 CG PHE A 69 -5.271 11.728 -7.707 1.00 0.00 C ATOM 1070 CD1 PHE A 69 -4.209 12.549 -8.049 1.00 0.00 C ATOM 1071 CD2 PHE A 69 -6.330 12.269 -6.996 1.00 0.00 C ATOM 1072 CE1 PHE A 69 -4.203 13.883 -7.688 1.00 0.00 C ATOM 1073 CE2 PHE A 69 -6.330 13.603 -6.633 1.00 0.00 C ATOM 1074 CZ PHE A 69 -5.266 14.411 -6.981 1.00 0.00 C ATOM 0 H PHE A 69 -4.571 8.028 -9.114 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.132 10.299 -7.940 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.524 10.196 -9.157 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.059 9.762 -7.546 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -3.377 12.142 -8.604 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.165 11.641 -6.722 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.368 14.512 -7.958 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.161 14.012 -6.078 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.265 15.454 -6.701 1.00 0.00 H new ATOM 1084 N ASP A 70 -3.951 9.884 -5.441 1.00 0.00 N ATOM 1085 CA ASP A 70 -3.932 9.467 -4.044 1.00 0.00 C ATOM 1086 C ASP A 70 -4.414 10.593 -3.134 1.00 0.00 C ATOM 1087 O ASP A 70 -3.934 11.724 -3.221 1.00 0.00 O ATOM 1088 CB ASP A 70 -2.523 9.034 -3.637 1.00 0.00 C ATOM 1089 CG ASP A 70 -1.954 7.974 -4.560 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -1.492 8.334 -5.663 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -1.972 6.784 -4.181 1.00 0.00 O ATOM 0 H ASP A 70 -3.994 10.894 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.609 8.620 -3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.865 9.903 -3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.544 8.650 -2.617 1.00 0.00 H new ATOM 1096 N LEU A 71 -5.365 10.277 -2.263 1.00 0.00 N ATOM 1097 CA LEU A 71 -5.913 11.262 -1.337 1.00 0.00 C ATOM 1098 C LEU A 71 -6.243 10.622 0.007 1.00 0.00 C ATOM 1099 O LEU A 71 -6.082 9.414 0.188 1.00 0.00 O ATOM 1100 CB LEU A 71 -7.167 11.906 -1.930 1.00 0.00 C ATOM 1101 CG LEU A 71 -6.954 12.775 -3.170 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -8.289 13.220 -3.747 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -6.087 13.980 -2.834 1.00 0.00 C ATOM 0 H LEU A 71 -5.773 9.346 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.158 12.032 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.873 11.115 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.636 12.517 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.438 12.179 -3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.117 13.837 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.875 12.344 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.834 13.798 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.946 14.587 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.576 14.576 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.118 13.640 -2.469 1.00 0.00 H new ATOM 1115 N HIS A 72 -6.708 11.438 0.948 1.00 0.00 N ATOM 1116 CA HIS A 72 -7.065 10.951 2.275 1.00 0.00 C ATOM 1117 C HIS A 72 -8.538 10.559 2.333 1.00 0.00 C ATOM 1118 O HIS A 72 -9.368 11.121 1.618 1.00 0.00 O ATOM 1119 CB HIS A 72 -6.766 12.017 3.330 1.00 0.00 C ATOM 1120 CG HIS A 72 -5.360 11.975 3.842 1.00 0.00 C ATOM 1121 ND1 HIS A 72 -4.429 12.956 3.568 1.00 0.00 N ATOM 1122 CD2 HIS A 72 -4.727 11.065 4.618 1.00 0.00 C ATOM 1123 CE1 HIS A 72 -3.285 12.649 4.151 1.00 0.00 C ATOM 1124 NE2 HIS A 72 -3.438 11.506 4.795 1.00 0.00 N ATOM 0 H HIS A 72 -6.846 12.440 0.816 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.464 10.066 2.484 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -6.960 13.002 2.905 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.453 11.891 4.167 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.155 10.160 5.023 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.378 13.233 4.109 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.717 11.029 5.336 1.00 0.00 H new ATOM 1132 N ALA A 73 -8.856 9.593 3.188 1.00 0.00 N ATOM 1133 CA ALA A 73 -10.229 9.128 3.340 1.00 0.00 C ATOM 1134 C ALA A 73 -11.136 10.247 3.839 1.00 0.00 C ATOM 1135 O ALA A 73 -12.329 10.275 3.538 1.00 0.00 O ATOM 1136 CB ALA A 73 -10.282 7.940 4.289 1.00 0.00 C ATOM 0 H ALA A 73 -8.181 9.117 3.786 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.590 8.813 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.313 7.603 4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.674 7.128 3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.897 8.236 5.265 1.00 0.00 H new ATOM 1142 N LYS A 74 -10.563 11.169 4.605 1.00 0.00 N ATOM 1143 CA LYS A 74 -11.319 12.292 5.146 1.00 0.00 C ATOM 1144 C LYS A 74 -11.332 13.462 4.167 1.00 0.00 C ATOM 1145 O LYS A 74 -12.362 14.108 3.970 1.00 0.00 O ATOM 1146 CB LYS A 74 -10.721 12.739 6.482 1.00 0.00 C ATOM 1147 CG LYS A 74 -9.303 13.271 6.367 1.00 0.00 C ATOM 1148 CD LYS A 74 -8.660 13.445 7.733 1.00 0.00 C ATOM 1149 CE LYS A 74 -8.900 14.840 8.289 1.00 0.00 C ATOM 1150 NZ LYS A 74 -8.294 15.892 7.427 1.00 0.00 N ATOM 0 H LYS A 74 -9.577 11.160 4.865 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.346 11.963 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.356 13.512 6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.729 11.897 7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.704 12.586 5.767 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.314 14.227 5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.063 12.703 8.423 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.588 13.262 7.658 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.972 15.016 8.378 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.482 14.908 9.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.050 16.719 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.434 15.519 6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.975 16.174 6.693 1.00 0.00 H new ATOM 1164 N CYS A 75 -10.183 13.728 3.554 1.00 0.00 N ATOM 1165 CA CYS A 75 -10.063 14.819 2.595 1.00 0.00 C ATOM 1166 C CYS A 75 -11.084 14.669 1.470 1.00 0.00 C ATOM 1167 O CYS A 75 -11.802 15.613 1.141 1.00 0.00 O ATOM 1168 CB CYS A 75 -8.649 14.859 2.012 1.00 0.00 C ATOM 1169 SG CYS A 75 -7.411 15.611 3.116 1.00 0.00 S ATOM 0 H CYS A 75 -9.322 13.203 3.705 1.00 0.00 H new ATOM 0 HA CYS A 75 -10.260 15.754 3.119 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -8.337 13.842 1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -8.670 15.415 1.075 1.00 0.00 H new ATOM 1174 N ALA A 76 -11.142 13.477 0.886 1.00 0.00 N ATOM 1175 CA ALA A 76 -12.076 13.204 -0.200 1.00 0.00 C ATOM 1176 C ALA A 76 -13.519 13.366 0.264 1.00 0.00 C ATOM 1177 O ALA A 76 -14.344 13.957 -0.435 1.00 0.00 O ATOM 1178 CB ALA A 76 -11.850 11.802 -0.748 1.00 0.00 C ATOM 0 H ALA A 76 -10.554 12.685 1.146 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.894 13.928 -0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.553 11.610 -1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.831 11.719 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.004 11.072 0.046 1.00 0.00 H new ATOM 1184 N LEU A 77 -13.819 12.840 1.446 1.00 0.00 N ATOM 1185 CA LEU A 77 -15.164 12.926 2.004 1.00 0.00 C ATOM 1186 C LEU A 77 -15.549 14.377 2.275 1.00 0.00 C ATOM 1187 O LEU A 77 -16.499 14.897 1.693 1.00 0.00 O ATOM 1188 CB LEU A 77 -15.256 12.112 3.295 1.00 0.00 C ATOM 1189 CG LEU A 77 -15.528 10.617 3.128 1.00 0.00 C ATOM 1190 CD1 LEU A 77 -15.182 9.865 4.404 1.00 0.00 C ATOM 1191 CD2 LEU A 77 -16.982 10.379 2.745 1.00 0.00 C ATOM 0 H LEU A 77 -13.148 12.349 2.037 1.00 0.00 H new ATOM 0 HA LEU A 77 -15.860 12.515 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.322 12.232 3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -16.046 12.538 3.914 1.00 0.00 H new ATOM 0 HG LEU A 77 -14.894 10.240 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.382 8.803 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.127 10.008 4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.789 10.245 5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.158 9.309 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.633 10.772 3.526 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -17.198 10.885 1.804 1.00 0.00 H new ATOM 1203 N ASN A 78 -14.802 15.025 3.163 1.00 0.00 N ATOM 1204 CA ASN A 78 -15.063 16.417 3.511 1.00 0.00 C ATOM 1205 C ASN A 78 -14.554 17.355 2.421 1.00 0.00 C ATOM 1206 O ASN A 78 -13.983 16.913 1.425 1.00 0.00 O ATOM 1207 CB ASN A 78 -14.403 16.764 4.847 1.00 0.00 C ATOM 1208 CG ASN A 78 -15.041 16.033 6.013 1.00 0.00 C ATOM 1209 OD1 ASN A 78 -16.226 15.702 5.979 1.00 0.00 O ATOM 1210 ND2 ASN A 78 -14.254 15.779 7.053 1.00 0.00 N ATOM 0 H ASN A 78 -14.011 14.609 3.655 1.00 0.00 H new ATOM 0 HA ASN A 78 -16.141 16.546 3.602 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -13.343 16.515 4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.471 17.839 5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.627 15.291 7.867 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.277 16.072 7.037 1.00 0.00 H new ATOM 1217 N GLU A 79 -14.765 18.653 2.618 1.00 0.00 N ATOM 1218 CA GLU A 79 -14.327 19.653 1.651 1.00 0.00 C ATOM 1219 C GLU A 79 -13.713 20.859 2.357 1.00 0.00 C ATOM 1220 O GLU A 79 -14.406 21.606 3.049 1.00 0.00 O ATOM 1221 CB GLU A 79 -15.502 20.101 0.780 1.00 0.00 C ATOM 1222 CG GLU A 79 -15.109 21.077 -0.317 1.00 0.00 C ATOM 1223 CD GLU A 79 -16.308 21.633 -1.060 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -17.013 22.491 -0.490 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -16.541 21.209 -2.212 1.00 0.00 O ATOM 0 H GLU A 79 -15.236 19.036 3.438 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.566 19.199 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.962 19.223 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -16.257 20.565 1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -14.543 21.900 0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.448 20.576 -1.024 1.00 0.00 H new ATOM 1232 N ASP A 80 -12.410 21.043 2.176 1.00 0.00 N ATOM 1233 CA ASP A 80 -11.702 22.159 2.794 1.00 0.00 C ATOM 1234 C ASP A 80 -10.998 23.006 1.739 1.00 0.00 C ATOM 1235 O ASP A 80 -10.605 24.144 2.002 1.00 0.00 O ATOM 1236 CB ASP A 80 -10.686 21.643 3.814 1.00 0.00 C ATOM 1237 CG ASP A 80 -10.081 22.759 4.643 1.00 0.00 C ATOM 1238 OD1 ASP A 80 -10.654 23.088 5.703 1.00 0.00 O ATOM 1239 OD2 ASP A 80 -9.034 23.302 4.233 1.00 0.00 O ATOM 0 H ASP A 80 -11.822 20.434 1.607 1.00 0.00 H new ATOM 0 HA ASP A 80 -12.434 22.784 3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.172 20.925 4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.891 21.109 3.293 1.00 0.00 H new ATOM 1244 N THR A 81 -10.840 22.445 0.545 1.00 0.00 N ATOM 1245 CA THR A 81 -10.181 23.148 -0.549 1.00 0.00 C ATOM 1246 C THR A 81 -8.987 23.951 -0.046 1.00 0.00 C ATOM 1247 O THR A 81 -8.815 25.117 -0.403 1.00 0.00 O ATOM 1248 CB THR A 81 -11.154 24.096 -1.275 1.00 0.00 C ATOM 1249 OG1 THR A 81 -11.651 25.081 -0.362 1.00 0.00 O ATOM 1250 CG2 THR A 81 -12.318 23.321 -1.876 1.00 0.00 C ATOM 0 H THR A 81 -11.159 21.505 0.310 1.00 0.00 H new ATOM 0 HA THR A 81 -9.835 22.388 -1.250 1.00 0.00 H new ATOM 0 HB THR A 81 -10.612 24.589 -2.082 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.268 25.681 -0.832 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.992 24.012 -2.383 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.939 22.592 -2.592 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.858 22.804 -1.083 1.00 0.00 H new ATOM 1258 N LYS A 82 -8.164 23.321 0.785 1.00 0.00 N ATOM 1259 CA LYS A 82 -6.984 23.976 1.336 1.00 0.00 C ATOM 1260 C LYS A 82 -6.046 24.434 0.223 1.00 0.00 C ATOM 1261 O LYS A 82 -5.968 23.806 -0.832 1.00 0.00 O ATOM 1262 CB LYS A 82 -6.244 23.028 2.283 1.00 0.00 C ATOM 1263 CG LYS A 82 -5.001 23.639 2.906 1.00 0.00 C ATOM 1264 CD LYS A 82 -5.332 24.402 4.177 1.00 0.00 C ATOM 1265 CE LYS A 82 -5.540 23.462 5.354 1.00 0.00 C ATOM 1266 NZ LYS A 82 -4.311 22.680 5.663 1.00 0.00 N ATOM 0 H LYS A 82 -8.293 22.357 1.092 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.313 24.853 1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.923 22.718 3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.961 22.129 1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.281 22.852 3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.527 24.311 2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.525 25.099 4.405 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.232 24.997 4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.834 24.038 6.231 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.359 22.778 5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.110 22.737 6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.455 21.686 5.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.508 23.070 5.130 1.00 0.00 H new ATOM 1280 N GLU A 83 -5.336 25.531 0.468 1.00 0.00 N ATOM 1281 CA GLU A 83 -4.403 26.071 -0.514 1.00 0.00 C ATOM 1282 C GLU A 83 -3.230 25.120 -0.731 1.00 0.00 C ATOM 1283 O GLU A 83 -2.909 24.305 0.134 1.00 0.00 O ATOM 1284 CB GLU A 83 -3.887 27.439 -0.062 1.00 0.00 C ATOM 1285 CG GLU A 83 -3.208 27.415 1.297 1.00 0.00 C ATOM 1286 CD GLU A 83 -2.813 28.798 1.776 1.00 0.00 C ATOM 1287 OE1 GLU A 83 -3.704 29.669 1.872 1.00 0.00 O ATOM 1288 OE2 GLU A 83 -1.615 29.011 2.055 1.00 0.00 O ATOM 0 H GLU A 83 -5.389 26.063 1.337 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.936 26.185 -1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.183 27.816 -0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.721 28.140 -0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.878 26.960 2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.320 26.785 1.244 1.00 0.00 H new ATOM 1295 N SER A 84 -2.593 25.230 -1.893 1.00 0.00 N ATOM 1296 CA SER A 84 -1.459 24.377 -2.226 1.00 0.00 C ATOM 1297 C SER A 84 -0.352 25.184 -2.899 1.00 0.00 C ATOM 1298 O SER A 84 -0.562 26.324 -3.311 1.00 0.00 O ATOM 1299 CB SER A 84 -1.903 23.236 -3.144 1.00 0.00 C ATOM 1300 OG SER A 84 -2.026 23.678 -4.484 1.00 0.00 O ATOM 0 H SER A 84 -2.843 25.901 -2.619 1.00 0.00 H new ATOM 0 HA SER A 84 -1.068 23.957 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.181 22.421 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.858 22.839 -2.800 1.00 0.00 H new ATOM 0 HG SER A 84 -2.309 22.930 -5.050 1.00 0.00 H new ATOM 1306 N GLY A 85 0.828 24.582 -3.007 1.00 0.00 N ATOM 1307 CA GLY A 85 1.951 25.258 -3.630 1.00 0.00 C ATOM 1308 C GLY A 85 3.041 24.296 -4.062 1.00 0.00 C ATOM 1309 O GLY A 85 3.192 23.207 -3.507 1.00 0.00 O ATOM 0 H GLY A 85 1.027 23.638 -2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.599 25.816 -4.497 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.367 25.984 -2.931 1.00 0.00 H new ATOM 1313 N PRO A 86 3.822 24.696 -5.075 1.00 0.00 N ATOM 1314 CA PRO A 86 4.916 23.875 -5.604 1.00 0.00 C ATOM 1315 C PRO A 86 6.079 23.759 -4.625 1.00 0.00 C ATOM 1316 O PRO A 86 6.549 22.659 -4.333 1.00 0.00 O ATOM 1317 CB PRO A 86 5.350 24.631 -6.862 1.00 0.00 C ATOM 1318 CG PRO A 86 4.952 26.045 -6.611 1.00 0.00 C ATOM 1319 CD PRO A 86 3.699 25.981 -5.783 1.00 0.00 C ATOM 0 HA PRO A 86 4.601 22.849 -5.794 1.00 0.00 H new ATOM 0 HB2 PRO A 86 6.424 24.545 -7.025 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.860 24.234 -7.751 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.740 26.585 -6.086 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.774 26.573 -7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.634 26.818 -5.088 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.804 26.013 -6.405 1.00 0.00 H new ATOM 1327 N SER A 87 6.537 24.899 -4.119 1.00 0.00 N ATOM 1328 CA SER A 87 7.648 24.925 -3.174 1.00 0.00 C ATOM 1329 C SER A 87 8.725 23.921 -3.575 1.00 0.00 C ATOM 1330 O SER A 87 9.274 23.214 -2.730 1.00 0.00 O ATOM 1331 CB SER A 87 7.149 24.619 -1.760 1.00 0.00 C ATOM 1332 OG SER A 87 6.920 23.231 -1.590 1.00 0.00 O ATOM 0 H SER A 87 6.156 25.817 -4.347 1.00 0.00 H new ATOM 0 HA SER A 87 8.084 25.924 -3.189 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.882 24.962 -1.030 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.228 25.169 -1.569 1.00 0.00 H new ATOM 0 HG SER A 87 7.751 22.739 -1.760 1.00 0.00 H new ATOM 1338 N SER A 88 9.021 23.865 -4.869 1.00 0.00 N ATOM 1339 CA SER A 88 10.029 22.946 -5.384 1.00 0.00 C ATOM 1340 C SER A 88 9.821 21.543 -4.823 1.00 0.00 C ATOM 1341 O SER A 88 10.775 20.873 -4.427 1.00 0.00 O ATOM 1342 CB SER A 88 11.432 23.445 -5.033 1.00 0.00 C ATOM 1343 OG SER A 88 12.400 22.914 -5.921 1.00 0.00 O ATOM 0 H SER A 88 8.577 24.445 -5.581 1.00 0.00 H new ATOM 0 HA SER A 88 9.927 22.904 -6.468 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.455 24.534 -5.074 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.677 23.160 -4.010 1.00 0.00 H new ATOM 0 HG SER A 88 13.288 23.249 -5.676 1.00 0.00 H new ATOM 1349 N GLY A 89 8.567 21.104 -4.792 1.00 0.00 N ATOM 1350 CA GLY A 89 8.255 19.783 -4.277 1.00 0.00 C ATOM 1351 C GLY A 89 6.826 19.370 -4.567 1.00 0.00 C ATOM 1352 O GLY A 89 6.408 19.429 -5.723 1.00 0.00 O ATOM 0 H GLY A 89 7.761 21.639 -5.114 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.937 19.055 -4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.423 19.767 -3.200 1.00 0.00 H new TER 1356 GLY A 89 HETATM 1357 ZN ZN A 201 -5.221 15.094 2.870 1.00 0.00 ZN HETATM 1358 ZN ZN A 401 -8.649 9.452 -12.688 1.00 0.00 ZN