USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 753 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= -2.58 (180deg=-2.95!) USER MOD Single : A 8 GLN :FLIP amide:sc=-0.000947 F(o=-0.66,f=-0.00095) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -2.36! C(o=-2.4!,f=-3.2!) USER MOD Single : A 21 THR OG1 : rot -157:sc= -1.23 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.7 K(o=-1.7,f=-6.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -6.49! C(o=-6.5!,f=-8.8!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.052) USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= -0.122 (180deg=-0.69) USER MOD Single : A 45 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.76) USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= -0.374 (180deg=-1.37) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 50 HIS : no HD1:sc= -3.06! C(o=-3.1!,f=-3.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.11) USER MOD Single : A 57 MET CE :methyl -163:sc= 0 (180deg=-0.45) USER MOD Single : A 58 MET CE :methyl 174:sc= -2.94! (180deg=-3.49!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -4.27! C(o=-4.3!,f=-6.3!) USER MOD Single : A 77 TYR OH : rot -130:sc= -2.77! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 70.884 -4.374 -12.772 1.00 0.00 N ATOM 37 CA THR A 3 70.825 -4.229 -14.253 1.00 0.00 C ATOM 38 C THR A 3 71.579 -2.967 -14.692 1.00 0.00 C ATOM 39 O THR A 3 72.180 -2.277 -13.892 1.00 0.00 O ATOM 40 CB THR A 3 69.357 -4.179 -14.714 1.00 0.00 C ATOM 41 OG1 THR A 3 69.247 -4.794 -15.989 1.00 0.00 O ATOM 42 CG2 THR A 3 68.864 -2.730 -14.808 1.00 0.00 C ATOM 0 HA THR A 3 71.305 -5.090 -14.718 1.00 0.00 H new ATOM 0 HB THR A 3 68.744 -4.709 -13.985 1.00 0.00 H new ATOM 0 HG1 THR A 3 68.314 -4.766 -16.286 1.00 0.00 H new ATOM 0 HG21 THR A 3 67.824 -2.720 -15.136 1.00 0.00 H new ATOM 0 HG22 THR A 3 68.941 -2.255 -13.830 1.00 0.00 H new ATOM 0 HG23 THR A 3 69.476 -2.183 -15.526 1.00 0.00 H new ATOM 50 N LYS A 4 71.556 -2.671 -15.965 1.00 0.00 N ATOM 51 CA LYS A 4 72.273 -1.466 -16.473 1.00 0.00 C ATOM 52 C LYS A 4 71.707 -0.204 -15.817 1.00 0.00 C ATOM 53 O LYS A 4 72.425 0.560 -15.204 1.00 0.00 O ATOM 54 CB LYS A 4 72.097 -1.373 -17.990 1.00 0.00 C ATOM 55 CG LYS A 4 73.346 -1.922 -18.683 1.00 0.00 C ATOM 56 CD LYS A 4 72.929 -2.825 -19.846 1.00 0.00 C ATOM 57 CE LYS A 4 72.652 -1.970 -21.082 1.00 0.00 C ATOM 58 NZ LYS A 4 72.281 -2.854 -22.224 1.00 0.00 N ATOM 0 H LYS A 4 71.069 -3.215 -16.677 1.00 0.00 H new ATOM 0 HA LYS A 4 73.332 -1.551 -16.229 1.00 0.00 H new ATOM 0 HB2 LYS A 4 71.218 -1.938 -18.300 1.00 0.00 H new ATOM 0 HB3 LYS A 4 71.930 -0.337 -18.285 1.00 0.00 H new ATOM 0 HG2 LYS A 4 73.962 -1.101 -19.049 1.00 0.00 H new ATOM 0 HG3 LYS A 4 73.952 -2.483 -17.972 1.00 0.00 H new ATOM 0 HD2 LYS A 4 73.717 -3.548 -20.060 1.00 0.00 H new ATOM 0 HD3 LYS A 4 72.039 -3.394 -19.577 1.00 0.00 H new ATOM 0 HE2 LYS A 4 71.846 -1.265 -20.877 1.00 0.00 H new ATOM 0 HE3 LYS A 4 73.534 -1.381 -21.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 72.092 -2.273 -23.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 73.063 -3.509 -22.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 71.428 -3.397 -21.980 1.00 0.00 H new ATOM 72 N GLU A 5 70.426 0.027 -15.945 1.00 0.00 N ATOM 73 CA GLU A 5 69.828 1.243 -15.331 1.00 0.00 C ATOM 74 C GLU A 5 69.431 0.956 -13.889 1.00 0.00 C ATOM 75 O GLU A 5 68.679 1.687 -13.274 1.00 0.00 O ATOM 76 CB GLU A 5 68.597 1.664 -16.125 1.00 0.00 C ATOM 77 CG GLU A 5 68.885 2.972 -16.866 1.00 0.00 C ATOM 78 CD GLU A 5 68.170 4.126 -16.162 1.00 0.00 C ATOM 79 OE1 GLU A 5 67.823 3.964 -15.004 1.00 0.00 O ATOM 80 OE2 GLU A 5 67.982 5.153 -16.794 1.00 0.00 O ATOM 0 H GLU A 5 69.772 -0.574 -16.447 1.00 0.00 H new ATOM 0 HA GLU A 5 70.563 2.048 -15.346 1.00 0.00 H new ATOM 0 HB2 GLU A 5 68.326 0.884 -16.836 1.00 0.00 H new ATOM 0 HB3 GLU A 5 67.747 1.794 -15.455 1.00 0.00 H new ATOM 0 HG2 GLU A 5 69.959 3.158 -16.893 1.00 0.00 H new ATOM 0 HG3 GLU A 5 68.548 2.898 -17.900 1.00 0.00 H new ATOM 87 N GLU A 6 69.949 -0.094 -13.353 1.00 0.00 N ATOM 88 CA GLU A 6 69.645 -0.460 -11.947 1.00 0.00 C ATOM 89 C GLU A 6 70.663 0.187 -11.021 1.00 0.00 C ATOM 90 O GLU A 6 70.669 -0.019 -9.824 1.00 0.00 O ATOM 91 CB GLU A 6 69.716 -1.971 -11.809 1.00 0.00 C ATOM 92 CG GLU A 6 68.336 -2.579 -12.067 1.00 0.00 C ATOM 93 CD GLU A 6 67.641 -2.851 -10.732 1.00 0.00 C ATOM 94 OE1 GLU A 6 67.079 -1.922 -10.179 1.00 0.00 O ATOM 95 OE2 GLU A 6 67.684 -3.986 -10.286 1.00 0.00 O ATOM 0 H GLU A 6 70.584 -0.732 -13.833 1.00 0.00 H new ATOM 0 HA GLU A 6 68.648 -0.111 -11.679 1.00 0.00 H new ATOM 0 HB2 GLU A 6 70.440 -2.376 -12.515 1.00 0.00 H new ATOM 0 HB3 GLU A 6 70.061 -2.239 -10.810 1.00 0.00 H new ATOM 0 HG2 GLU A 6 67.734 -1.899 -12.671 1.00 0.00 H new ATOM 0 HG3 GLU A 6 68.435 -3.505 -12.633 1.00 0.00 H new ATOM 102 N LYS A 7 71.513 0.968 -11.586 1.00 0.00 N ATOM 103 CA LYS A 7 72.558 1.663 -10.792 1.00 0.00 C ATOM 104 C LYS A 7 72.723 3.101 -11.296 1.00 0.00 C ATOM 105 O LYS A 7 73.046 3.998 -10.545 1.00 0.00 O ATOM 106 CB LYS A 7 73.887 0.919 -10.934 1.00 0.00 C ATOM 107 CG LYS A 7 74.299 0.883 -12.407 1.00 0.00 C ATOM 108 CD LYS A 7 75.210 2.074 -12.711 1.00 0.00 C ATOM 109 CE LYS A 7 74.937 2.576 -14.131 1.00 0.00 C ATOM 110 NZ LYS A 7 75.756 3.793 -14.394 1.00 0.00 N ATOM 0 H LYS A 7 71.536 1.165 -12.587 1.00 0.00 H new ATOM 0 HA LYS A 7 72.259 1.681 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 7 74.657 1.413 -10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.791 -0.096 -10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 7 74.817 -0.050 -12.628 1.00 0.00 H new ATOM 0 HG3 LYS A 7 73.415 0.916 -13.044 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.034 2.873 -11.991 1.00 0.00 H new ATOM 0 HD3 LYS A 7 76.255 1.781 -12.612 1.00 0.00 H new ATOM 0 HE2 LYS A 7 75.179 1.799 -14.856 1.00 0.00 H new ATOM 0 HE3 LYS A 7 73.878 2.805 -14.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 75.703 4.036 -15.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 75.392 4.586 -13.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 76.746 3.608 -14.134 1.00 0.00 H new ATOM 124 N GLN A 8 72.509 3.325 -12.564 1.00 0.00 N ATOM 125 CA GLN A 8 72.657 4.702 -13.114 1.00 0.00 C ATOM 126 C GLN A 8 71.797 5.678 -12.306 1.00 0.00 C ATOM 127 O GLN A 8 72.130 6.837 -12.160 1.00 0.00 O ATOM 128 CB GLN A 8 72.203 4.715 -14.576 1.00 0.00 C ATOM 129 CG GLN A 8 73.363 5.166 -15.466 1.00 0.00 C ATOM 130 CD GLN A 8 72.811 5.877 -16.702 1.00 0.00 C ATOM 131 OE1 GLN A 8 71.621 5.568 -17.140 1.00 0.00 O flip ATOM 132 NE2 GLN A 8 73.468 6.724 -17.274 1.00 0.00 N flip ATOM 0 H GLN A 8 72.238 2.614 -13.243 1.00 0.00 H new ATOM 0 HA GLN A 8 73.702 5.006 -13.050 1.00 0.00 H new ATOM 0 HB2 GLN A 8 71.868 3.721 -14.873 1.00 0.00 H new ATOM 0 HB3 GLN A 8 71.354 5.387 -14.698 1.00 0.00 H new ATOM 0 HG2 GLN A 8 74.021 5.835 -14.912 1.00 0.00 H new ATOM 0 HG3 GLN A 8 73.962 4.306 -15.765 1.00 0.00 H new ATOM 0 HE21 GLN A 8 74.398 6.965 -16.932 1.00 0.00 H new ATOM 0 HE22 GLN A 8 73.090 7.194 -18.097 1.00 0.00 H new ATOM 141 N LYS A 9 70.689 5.224 -11.788 1.00 0.00 N ATOM 142 CA LYS A 9 69.810 6.128 -11.000 1.00 0.00 C ATOM 143 C LYS A 9 70.380 6.304 -9.590 1.00 0.00 C ATOM 144 O LYS A 9 70.169 7.311 -8.944 1.00 0.00 O ATOM 145 CB LYS A 9 68.406 5.524 -10.912 1.00 0.00 C ATOM 146 CG LYS A 9 67.536 6.388 -9.997 1.00 0.00 C ATOM 147 CD LYS A 9 66.864 5.502 -8.946 1.00 0.00 C ATOM 148 CE LYS A 9 67.916 4.995 -7.957 1.00 0.00 C ATOM 149 NZ LYS A 9 67.310 4.886 -6.601 1.00 0.00 N ATOM 0 H LYS A 9 70.355 4.264 -11.878 1.00 0.00 H new ATOM 0 HA LYS A 9 69.759 7.100 -11.491 1.00 0.00 H new ATOM 0 HB2 LYS A 9 67.961 5.465 -11.905 1.00 0.00 H new ATOM 0 HB3 LYS A 9 68.460 4.506 -10.526 1.00 0.00 H new ATOM 0 HG2 LYS A 9 68.146 7.149 -9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 9 66.781 6.911 -10.583 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.095 6.066 -8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 9 66.367 4.660 -9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 9 68.294 4.024 -8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 9 68.767 5.676 -7.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 68.024 4.541 -5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 66.970 5.820 -6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 66.512 4.220 -6.630 1.00 0.00 H new ATOM 163 N VAL A 10 71.093 5.327 -9.103 1.00 0.00 N ATOM 164 CA VAL A 10 71.668 5.432 -7.737 1.00 0.00 C ATOM 165 C VAL A 10 72.779 6.486 -7.715 1.00 0.00 C ATOM 166 O VAL A 10 72.987 7.160 -6.726 1.00 0.00 O ATOM 167 CB VAL A 10 72.245 4.078 -7.324 1.00 0.00 C ATOM 168 CG1 VAL A 10 72.954 4.213 -5.975 1.00 0.00 C ATOM 169 CG2 VAL A 10 71.110 3.057 -7.203 1.00 0.00 C ATOM 0 H VAL A 10 71.302 4.458 -9.595 1.00 0.00 H new ATOM 0 HA VAL A 10 70.883 5.726 -7.041 1.00 0.00 H new ATOM 0 HB VAL A 10 72.959 3.743 -8.077 1.00 0.00 H new ATOM 0 HG11 VAL A 10 73.365 3.247 -5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.761 4.940 -6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 10 72.241 4.548 -5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.520 2.091 -6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.397 3.393 -6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.605 2.959 -8.164 1.00 0.00 H new ATOM 179 N ILE A 11 73.506 6.626 -8.790 1.00 0.00 N ATOM 180 CA ILE A 11 74.607 7.620 -8.818 1.00 0.00 C ATOM 181 C ILE A 11 74.092 8.953 -9.344 1.00 0.00 C ATOM 182 O ILE A 11 74.341 10.000 -8.788 1.00 0.00 O ATOM 183 CB ILE A 11 75.755 7.095 -9.696 1.00 0.00 C ATOM 184 CG1 ILE A 11 75.695 7.617 -11.147 1.00 0.00 C ATOM 185 CG2 ILE A 11 75.731 5.567 -9.712 1.00 0.00 C ATOM 186 CD1 ILE A 11 74.695 6.802 -11.958 1.00 0.00 C ATOM 0 H ILE A 11 73.382 6.092 -9.650 1.00 0.00 H new ATOM 0 HA ILE A 11 74.983 7.773 -7.806 1.00 0.00 H new ATOM 0 HB ILE A 11 76.681 7.465 -9.257 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.407 8.668 -11.151 1.00 0.00 H new ATOM 0 HG13 ILE A 11 76.682 7.555 -11.605 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.545 5.197 -10.335 1.00 0.00 H new ATOM 0 HG22 ILE A 11 75.851 5.191 -8.696 1.00 0.00 H new ATOM 0 HG23 ILE A 11 74.779 5.222 -10.117 1.00 0.00 H new ATOM 0 HD11 ILE A 11 74.662 7.180 -12.980 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.001 5.756 -11.968 1.00 0.00 H new ATOM 0 HD13 ILE A 11 73.706 6.887 -11.507 1.00 0.00 H new ATOM 198 N GLN A 12 73.387 8.904 -10.425 1.00 0.00 N ATOM 199 CA GLN A 12 72.835 10.154 -11.035 1.00 0.00 C ATOM 200 C GLN A 12 72.379 11.078 -9.909 1.00 0.00 C ATOM 201 O GLN A 12 72.471 12.287 -9.997 1.00 0.00 O ATOM 202 CB GLN A 12 71.650 9.813 -11.943 1.00 0.00 C ATOM 203 CG GLN A 12 70.439 9.429 -11.091 1.00 0.00 C ATOM 204 CD GLN A 12 69.206 9.304 -11.988 1.00 0.00 C ATOM 205 OE1 GLN A 12 69.323 9.073 -13.174 1.00 0.00 O ATOM 206 NE2 GLN A 12 68.018 9.447 -11.466 1.00 0.00 N ATOM 0 H GLN A 12 73.160 8.046 -10.927 1.00 0.00 H new ATOM 0 HA GLN A 12 73.600 10.646 -11.636 1.00 0.00 H new ATOM 0 HB2 GLN A 12 71.406 10.667 -12.574 1.00 0.00 H new ATOM 0 HB3 GLN A 12 71.914 8.991 -12.608 1.00 0.00 H new ATOM 0 HG2 GLN A 12 70.626 8.486 -10.578 1.00 0.00 H new ATOM 0 HG3 GLN A 12 70.268 10.182 -10.322 1.00 0.00 H new ATOM 0 HE21 GLN A 12 67.919 9.641 -10.470 1.00 0.00 H new ATOM 0 HE22 GLN A 12 67.189 9.365 -12.055 1.00 0.00 H new ATOM 215 N GLU A 13 71.922 10.501 -8.835 1.00 0.00 N ATOM 216 CA GLU A 13 71.493 11.310 -7.671 1.00 0.00 C ATOM 217 C GLU A 13 72.698 11.491 -6.749 1.00 0.00 C ATOM 218 O GLU A 13 72.928 12.550 -6.200 1.00 0.00 O ATOM 219 CB GLU A 13 70.372 10.587 -6.922 1.00 0.00 C ATOM 220 CG GLU A 13 69.025 11.210 -7.294 1.00 0.00 C ATOM 221 CD GLU A 13 67.924 10.606 -6.419 1.00 0.00 C ATOM 222 OE1 GLU A 13 68.042 10.693 -5.208 1.00 0.00 O ATOM 223 OE2 GLU A 13 66.982 10.067 -6.976 1.00 0.00 O ATOM 0 H GLU A 13 71.828 9.492 -8.716 1.00 0.00 H new ATOM 0 HA GLU A 13 71.121 12.280 -8.002 1.00 0.00 H new ATOM 0 HB2 GLU A 13 70.376 9.527 -7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.533 10.659 -5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 13 69.062 12.291 -7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 13 68.807 11.030 -8.347 1.00 0.00 H new ATOM 230 N PHE A 14 73.474 10.452 -6.586 1.00 0.00 N ATOM 231 CA PHE A 14 74.672 10.528 -5.717 1.00 0.00 C ATOM 232 C PHE A 14 75.878 10.995 -6.536 1.00 0.00 C ATOM 233 O PHE A 14 76.397 12.075 -6.333 1.00 0.00 O ATOM 234 CB PHE A 14 74.959 9.143 -5.137 1.00 0.00 C ATOM 235 CG PHE A 14 74.029 8.880 -3.977 1.00 0.00 C ATOM 236 CD1 PHE A 14 72.675 8.619 -4.212 1.00 0.00 C ATOM 237 CD2 PHE A 14 74.522 8.898 -2.666 1.00 0.00 C ATOM 238 CE1 PHE A 14 71.811 8.375 -3.138 1.00 0.00 C ATOM 239 CE2 PHE A 14 73.658 8.655 -1.592 1.00 0.00 C ATOM 240 CZ PHE A 14 72.304 8.393 -1.827 1.00 0.00 C ATOM 0 H PHE A 14 73.322 9.545 -7.026 1.00 0.00 H new ATOM 0 HA PHE A 14 74.490 11.238 -4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.825 8.381 -5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.996 9.083 -4.806 1.00 0.00 H new ATOM 0 HD1 PHE A 14 72.296 8.606 -5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 14 75.567 9.099 -2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 14 70.766 8.173 -3.320 1.00 0.00 H new ATOM 0 HE2 PHE A 14 74.037 8.670 -0.581 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.639 8.205 -0.997 1.00 0.00 H new ATOM 250 N ALA A 15 76.330 10.188 -7.458 1.00 0.00 N ATOM 251 CA ALA A 15 77.503 10.583 -8.284 1.00 0.00 C ATOM 252 C ALA A 15 77.168 11.830 -9.101 1.00 0.00 C ATOM 253 O ALA A 15 76.149 11.897 -9.759 1.00 0.00 O ATOM 254 CB ALA A 15 77.863 9.446 -9.240 1.00 0.00 C ATOM 0 H ALA A 15 75.936 9.272 -7.674 1.00 0.00 H new ATOM 0 HA ALA A 15 78.345 10.794 -7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 15 78.722 9.737 -9.844 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.109 8.552 -8.666 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.015 9.237 -9.892 1.00 0.00 H new ATOM 260 N ARG A 16 78.024 12.811 -9.079 1.00 0.00 N ATOM 261 CA ARG A 16 77.759 14.041 -9.869 1.00 0.00 C ATOM 262 C ARG A 16 78.459 13.913 -11.217 1.00 0.00 C ATOM 263 O ARG A 16 78.843 14.887 -11.833 1.00 0.00 O ATOM 264 CB ARG A 16 78.292 15.264 -9.122 1.00 0.00 C ATOM 265 CG ARG A 16 79.769 15.048 -8.784 1.00 0.00 C ATOM 266 CD ARG A 16 79.913 14.753 -7.291 1.00 0.00 C ATOM 267 NE ARG A 16 80.322 15.996 -6.576 1.00 0.00 N ATOM 268 CZ ARG A 16 81.512 16.083 -6.047 1.00 0.00 C ATOM 269 NH1 ARG A 16 82.045 15.044 -5.464 1.00 0.00 N ATOM 270 NH2 ARG A 16 82.170 17.209 -6.102 1.00 0.00 N ATOM 0 H ARG A 16 78.895 12.814 -8.548 1.00 0.00 H new ATOM 0 HA ARG A 16 76.686 14.163 -10.017 1.00 0.00 H new ATOM 0 HB2 ARG A 16 78.174 16.158 -9.735 1.00 0.00 H new ATOM 0 HB3 ARG A 16 77.718 15.425 -8.209 1.00 0.00 H new ATOM 0 HG2 ARG A 16 80.170 14.220 -9.369 1.00 0.00 H new ATOM 0 HG3 ARG A 16 80.347 15.934 -9.048 1.00 0.00 H new ATOM 0 HD2 ARG A 16 78.969 14.384 -6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 16 80.654 13.970 -7.134 1.00 0.00 H new ATOM 0 HE ARG A 16 79.672 16.778 -6.500 1.00 0.00 H new ATOM 0 HH11 ARG A 16 81.532 14.164 -5.422 1.00 0.00 H new ATOM 0 HH12 ARG A 16 82.975 15.112 -5.051 1.00 0.00 H new ATOM 0 HH21 ARG A 16 81.754 18.021 -6.558 1.00 0.00 H new ATOM 0 HH22 ARG A 16 83.100 17.277 -5.689 1.00 0.00 H new ATOM 284 N PHE A 17 78.632 12.706 -11.667 1.00 0.00 N ATOM 285 CA PHE A 17 79.315 12.478 -12.970 1.00 0.00 C ATOM 286 C PHE A 17 79.260 10.987 -13.296 1.00 0.00 C ATOM 287 O PHE A 17 78.896 10.186 -12.458 1.00 0.00 O ATOM 288 CB PHE A 17 80.775 12.924 -12.851 1.00 0.00 C ATOM 289 CG PHE A 17 80.929 14.329 -13.385 1.00 0.00 C ATOM 290 CD1 PHE A 17 80.271 14.712 -14.561 1.00 0.00 C ATOM 291 CD2 PHE A 17 81.730 15.251 -12.701 1.00 0.00 C ATOM 292 CE1 PHE A 17 80.416 16.017 -15.051 1.00 0.00 C ATOM 293 CE2 PHE A 17 81.874 16.555 -13.191 1.00 0.00 C ATOM 294 CZ PHE A 17 81.216 16.937 -14.366 1.00 0.00 C ATOM 0 H PHE A 17 78.328 11.860 -11.186 1.00 0.00 H new ATOM 0 HA PHE A 17 78.825 13.046 -13.760 1.00 0.00 H new ATOM 0 HB2 PHE A 17 81.092 12.885 -11.809 1.00 0.00 H new ATOM 0 HB3 PHE A 17 81.419 12.242 -13.406 1.00 0.00 H new ATOM 0 HD1 PHE A 17 79.652 14.002 -15.090 1.00 0.00 H new ATOM 0 HD2 PHE A 17 82.238 14.956 -11.794 1.00 0.00 H new ATOM 0 HE1 PHE A 17 79.910 16.312 -15.958 1.00 0.00 H new ATOM 0 HE2 PHE A 17 82.492 17.266 -12.663 1.00 0.00 H new ATOM 0 HZ PHE A 17 81.326 17.943 -14.744 1.00 0.00 H new ATOM 304 N PRO A 18 79.639 10.655 -14.500 1.00 0.00 N ATOM 305 CA PRO A 18 79.660 9.258 -14.956 1.00 0.00 C ATOM 306 C PRO A 18 80.826 8.515 -14.297 1.00 0.00 C ATOM 307 O PRO A 18 81.017 7.332 -14.498 1.00 0.00 O ATOM 308 CB PRO A 18 79.838 9.375 -16.473 1.00 0.00 C ATOM 309 CG PRO A 18 80.447 10.772 -16.730 1.00 0.00 C ATOM 310 CD PRO A 18 80.087 11.635 -15.512 1.00 0.00 C ATOM 0 HA PRO A 18 78.763 8.695 -14.697 1.00 0.00 H new ATOM 0 HB2 PRO A 18 80.493 8.590 -16.850 1.00 0.00 H new ATOM 0 HB3 PRO A 18 78.883 9.267 -16.986 1.00 0.00 H new ATOM 0 HG2 PRO A 18 81.528 10.707 -16.854 1.00 0.00 H new ATOM 0 HG3 PRO A 18 80.047 11.207 -17.646 1.00 0.00 H new ATOM 0 HD2 PRO A 18 80.945 12.208 -15.161 1.00 0.00 H new ATOM 0 HD3 PRO A 18 79.301 12.352 -15.749 1.00 0.00 H new ATOM 318 N GLY A 19 81.597 9.204 -13.497 1.00 0.00 N ATOM 319 CA GLY A 19 82.740 8.548 -12.807 1.00 0.00 C ATOM 320 C GLY A 19 82.681 8.871 -11.311 1.00 0.00 C ATOM 321 O GLY A 19 83.498 8.412 -10.537 1.00 0.00 O ATOM 0 H GLY A 19 81.481 10.197 -13.293 1.00 0.00 H new ATOM 0 HA2 GLY A 19 82.701 7.469 -12.960 1.00 0.00 H new ATOM 0 HA3 GLY A 19 83.683 8.896 -13.229 1.00 0.00 H new ATOM 325 N ASP A 20 81.718 9.657 -10.892 1.00 0.00 N ATOM 326 CA ASP A 20 81.616 9.999 -9.449 1.00 0.00 C ATOM 327 C ASP A 20 80.725 8.985 -8.743 1.00 0.00 C ATOM 328 O ASP A 20 80.195 9.229 -7.677 1.00 0.00 O ATOM 329 CB ASP A 20 81.038 11.407 -9.285 1.00 0.00 C ATOM 330 CG ASP A 20 82.019 12.273 -8.494 1.00 0.00 C ATOM 331 OD1 ASP A 20 82.258 11.960 -7.339 1.00 0.00 O ATOM 332 OD2 ASP A 20 82.515 13.237 -9.055 1.00 0.00 O ATOM 0 H ASP A 20 81.003 10.072 -11.489 1.00 0.00 H new ATOM 0 HA ASP A 20 82.611 9.972 -9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 20 80.851 11.851 -10.263 1.00 0.00 H new ATOM 0 HB3 ASP A 20 80.080 11.360 -8.768 1.00 0.00 H new ATOM 337 N THR A 21 80.581 7.844 -9.333 1.00 0.00 N ATOM 338 CA THR A 21 79.748 6.770 -8.723 1.00 0.00 C ATOM 339 C THR A 21 80.674 5.803 -7.994 1.00 0.00 C ATOM 340 O THR A 21 80.264 5.072 -7.115 1.00 0.00 O ATOM 341 CB THR A 21 78.982 6.025 -9.817 1.00 0.00 C ATOM 342 OG1 THR A 21 78.469 4.810 -9.288 1.00 0.00 O ATOM 343 CG2 THR A 21 79.922 5.722 -10.982 1.00 0.00 C ATOM 0 H THR A 21 81.009 7.599 -10.226 1.00 0.00 H new ATOM 0 HA THR A 21 79.030 7.202 -8.026 1.00 0.00 H new ATOM 0 HB THR A 21 78.157 6.643 -10.172 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.309 4.177 -10.019 1.00 0.00 H new ATOM 0 HG21 THR A 21 79.376 5.191 -11.762 1.00 0.00 H new ATOM 0 HG22 THR A 21 80.314 6.656 -11.385 1.00 0.00 H new ATOM 0 HG23 THR A 21 80.748 5.103 -10.632 1.00 0.00 H new ATOM 351 N GLY A 22 81.930 5.815 -8.341 1.00 0.00 N ATOM 352 CA GLY A 22 82.898 4.918 -7.658 1.00 0.00 C ATOM 353 C GLY A 22 83.367 5.604 -6.376 1.00 0.00 C ATOM 354 O GLY A 22 83.989 4.998 -5.525 1.00 0.00 O ATOM 0 H GLY A 22 82.327 6.409 -9.069 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.431 3.961 -7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.747 4.709 -8.309 1.00 0.00 H new ATOM 358 N SER A 23 83.067 6.868 -6.232 1.00 0.00 N ATOM 359 CA SER A 23 83.488 7.598 -5.004 1.00 0.00 C ATOM 360 C SER A 23 83.039 6.812 -3.770 1.00 0.00 C ATOM 361 O SER A 23 81.988 6.205 -3.759 1.00 0.00 O ATOM 362 CB SER A 23 82.846 8.986 -4.990 1.00 0.00 C ATOM 363 OG SER A 23 83.206 9.658 -3.790 1.00 0.00 O ATOM 0 H SER A 23 82.549 7.425 -6.912 1.00 0.00 H new ATOM 0 HA SER A 23 84.573 7.703 -4.994 1.00 0.00 H new ATOM 0 HB2 SER A 23 83.176 9.561 -5.855 1.00 0.00 H new ATOM 0 HB3 SER A 23 81.762 8.899 -5.060 1.00 0.00 H new ATOM 0 HG SER A 23 82.797 10.549 -3.779 1.00 0.00 H new ATOM 369 N THR A 24 83.830 6.815 -2.733 1.00 0.00 N ATOM 370 CA THR A 24 83.448 6.064 -1.504 1.00 0.00 C ATOM 371 C THR A 24 82.034 6.462 -1.072 1.00 0.00 C ATOM 372 O THR A 24 81.330 5.694 -0.448 1.00 0.00 O ATOM 373 CB THR A 24 84.433 6.389 -0.379 1.00 0.00 C ATOM 374 OG1 THR A 24 85.689 5.786 -0.662 1.00 0.00 O ATOM 375 CG2 THR A 24 83.891 5.849 0.945 1.00 0.00 C ATOM 0 H THR A 24 84.724 7.304 -2.683 1.00 0.00 H new ATOM 0 HA THR A 24 83.474 4.995 -1.715 1.00 0.00 H new ATOM 0 HB THR A 24 84.558 7.469 -0.304 1.00 0.00 H new ATOM 0 HG1 THR A 24 86.321 5.995 0.057 1.00 0.00 H new ATOM 0 HG21 THR A 24 84.592 6.080 1.747 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.928 6.313 1.160 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.765 4.769 0.873 1.00 0.00 H new ATOM 383 N GLU A 25 81.615 7.654 -1.395 1.00 0.00 N ATOM 384 CA GLU A 25 80.247 8.094 -0.998 1.00 0.00 C ATOM 385 C GLU A 25 79.205 7.298 -1.783 1.00 0.00 C ATOM 386 O GLU A 25 78.504 6.467 -1.241 1.00 0.00 O ATOM 387 CB GLU A 25 80.085 9.584 -1.304 1.00 0.00 C ATOM 388 CG GLU A 25 80.507 10.404 -0.085 1.00 0.00 C ATOM 389 CD GLU A 25 81.250 11.659 -0.545 1.00 0.00 C ATOM 390 OE1 GLU A 25 82.306 11.513 -1.139 1.00 0.00 O ATOM 391 OE2 GLU A 25 80.751 12.744 -0.297 1.00 0.00 O ATOM 0 H GLU A 25 82.159 8.342 -1.916 1.00 0.00 H new ATOM 0 HA GLU A 25 80.106 7.922 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 25 80.692 9.857 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 25 79.049 9.803 -1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.631 10.682 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.148 9.807 0.564 1.00 0.00 H new ATOM 398 N VAL A 26 79.098 7.546 -3.059 1.00 0.00 N ATOM 399 CA VAL A 26 78.104 6.808 -3.883 1.00 0.00 C ATOM 400 C VAL A 26 78.155 5.325 -3.524 1.00 0.00 C ATOM 401 O VAL A 26 77.183 4.608 -3.656 1.00 0.00 O ATOM 402 CB VAL A 26 78.435 6.988 -5.366 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.392 6.257 -6.215 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.421 8.478 -5.713 1.00 0.00 C ATOM 0 H VAL A 26 79.659 8.230 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 26 77.105 7.197 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 26 79.423 6.575 -5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.628 6.385 -7.271 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.401 5.195 -5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.404 6.669 -6.011 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.657 8.608 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.433 8.890 -5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 26 79.164 8.999 -5.109 1.00 0.00 H new ATOM 414 N GLN A 27 79.285 4.857 -3.067 1.00 0.00 N ATOM 415 CA GLN A 27 79.394 3.423 -2.699 1.00 0.00 C ATOM 416 C GLN A 27 78.604 3.175 -1.417 1.00 0.00 C ATOM 417 O GLN A 27 77.769 2.298 -1.358 1.00 0.00 O ATOM 418 CB GLN A 27 80.863 3.054 -2.482 1.00 0.00 C ATOM 419 CG GLN A 27 81.655 3.350 -3.757 1.00 0.00 C ATOM 420 CD GLN A 27 82.108 2.035 -4.393 1.00 0.00 C ATOM 421 OE1 GLN A 27 81.739 0.969 -3.941 1.00 0.00 O ATOM 422 NE2 GLN A 27 82.897 2.065 -5.431 1.00 0.00 N ATOM 0 H GLN A 27 80.134 5.407 -2.934 1.00 0.00 H new ATOM 0 HA GLN A 27 78.990 2.807 -3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 27 81.272 3.622 -1.646 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.950 1.999 -2.223 1.00 0.00 H new ATOM 0 HG2 GLN A 27 81.039 3.912 -4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 27 82.520 3.971 -3.524 1.00 0.00 H new ATOM 0 HE21 GLN A 27 83.207 2.960 -5.810 1.00 0.00 H new ATOM 0 HE22 GLN A 27 83.204 1.194 -5.863 1.00 0.00 H new ATOM 431 N VAL A 28 78.842 3.947 -0.396 1.00 0.00 N ATOM 432 CA VAL A 28 78.076 3.750 0.860 1.00 0.00 C ATOM 433 C VAL A 28 76.599 3.640 0.494 1.00 0.00 C ATOM 434 O VAL A 28 75.842 2.928 1.117 1.00 0.00 O ATOM 435 CB VAL A 28 78.298 4.948 1.786 1.00 0.00 C ATOM 436 CG1 VAL A 28 77.311 4.891 2.952 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.728 4.914 2.328 1.00 0.00 C ATOM 0 H VAL A 28 79.529 4.701 -0.378 1.00 0.00 H new ATOM 0 HA VAL A 28 78.405 2.847 1.375 1.00 0.00 H new ATOM 0 HB VAL A 28 78.140 5.870 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 28 77.473 5.746 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 28 76.291 4.917 2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 28 77.464 3.969 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.887 5.767 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.884 3.990 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 28 80.433 4.961 1.498 1.00 0.00 H new ATOM 447 N ALA A 29 76.184 4.326 -0.537 1.00 0.00 N ATOM 448 CA ALA A 29 74.764 4.235 -0.956 1.00 0.00 C ATOM 449 C ALA A 29 74.527 2.850 -1.544 1.00 0.00 C ATOM 450 O ALA A 29 73.552 2.193 -1.237 1.00 0.00 O ATOM 451 CB ALA A 29 74.460 5.306 -2.005 1.00 0.00 C ATOM 0 H ALA A 29 76.768 4.942 -1.103 1.00 0.00 H new ATOM 0 HA ALA A 29 74.110 4.395 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 29 73.415 5.233 -2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.647 6.293 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 29 75.101 5.156 -2.874 1.00 0.00 H new ATOM 457 N LEU A 30 75.421 2.387 -2.374 1.00 0.00 N ATOM 458 CA LEU A 30 75.250 1.037 -2.955 1.00 0.00 C ATOM 459 C LEU A 30 75.435 0.002 -1.840 1.00 0.00 C ATOM 460 O LEU A 30 75.177 -1.172 -2.016 1.00 0.00 O ATOM 461 CB LEU A 30 76.279 0.826 -4.079 1.00 0.00 C ATOM 462 CG LEU A 30 77.577 0.226 -3.525 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.483 -1.301 -3.551 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.756 0.677 -4.390 1.00 0.00 C ATOM 0 H LEU A 30 76.258 2.888 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 30 74.254 0.927 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.863 0.165 -4.839 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.492 1.778 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 30 77.726 0.565 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 30 78.405 -1.729 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.642 -1.624 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.335 -1.639 -4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.679 0.251 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.607 0.337 -5.415 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.823 1.765 -4.375 1.00 0.00 H new ATOM 476 N LEU A 31 75.880 0.435 -0.686 1.00 0.00 N ATOM 477 CA LEU A 31 76.081 -0.507 0.439 1.00 0.00 C ATOM 478 C LEU A 31 74.703 -0.913 0.970 1.00 0.00 C ATOM 479 O LEU A 31 74.495 -2.018 1.429 1.00 0.00 O ATOM 480 CB LEU A 31 76.913 0.181 1.541 1.00 0.00 C ATOM 481 CG LEU A 31 75.992 0.825 2.577 1.00 0.00 C ATOM 482 CD1 LEU A 31 75.544 -0.234 3.588 1.00 0.00 C ATOM 483 CD2 LEU A 31 76.734 1.944 3.310 1.00 0.00 C ATOM 0 H LEU A 31 76.112 1.407 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 31 76.621 -1.396 0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 31 77.562 -0.549 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 31 77.560 0.939 1.098 1.00 0.00 H new ATOM 0 HG LEU A 31 75.121 1.243 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 31 74.887 0.224 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 31 75.008 -1.029 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 31 76.418 -0.652 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 31 76.071 2.398 4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.608 1.532 3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 31 77.052 2.701 2.593 1.00 0.00 H new ATOM 495 N THR A 32 73.763 -0.008 0.905 1.00 0.00 N ATOM 496 CA THR A 32 72.391 -0.301 1.397 1.00 0.00 C ATOM 497 C THR A 32 71.681 -1.213 0.389 1.00 0.00 C ATOM 498 O THR A 32 70.938 -2.102 0.754 1.00 0.00 O ATOM 499 CB THR A 32 71.637 1.036 1.582 1.00 0.00 C ATOM 500 OG1 THR A 32 71.120 1.099 2.904 1.00 0.00 O ATOM 501 CG2 THR A 32 70.480 1.174 0.582 1.00 0.00 C ATOM 0 H THR A 32 73.892 0.931 0.527 1.00 0.00 H new ATOM 0 HA THR A 32 72.422 -0.817 2.357 1.00 0.00 H new ATOM 0 HB THR A 32 72.339 1.851 1.404 1.00 0.00 H new ATOM 0 HG1 THR A 32 70.642 1.945 3.028 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.973 2.126 0.741 1.00 0.00 H new ATOM 0 HG22 THR A 32 70.871 1.137 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.773 0.357 0.728 1.00 0.00 H new ATOM 509 N LEU A 33 71.904 -0.995 -0.877 1.00 0.00 N ATOM 510 CA LEU A 33 71.244 -1.842 -1.908 1.00 0.00 C ATOM 511 C LEU A 33 71.569 -3.315 -1.645 1.00 0.00 C ATOM 512 O LEU A 33 70.689 -4.128 -1.443 1.00 0.00 O ATOM 513 CB LEU A 33 71.756 -1.446 -3.296 1.00 0.00 C ATOM 514 CG LEU A 33 70.673 -1.723 -4.339 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.915 -0.848 -5.570 1.00 0.00 C ATOM 516 CD2 LEU A 33 70.723 -3.198 -4.744 1.00 0.00 C ATOM 0 H LEU A 33 72.516 -0.265 -1.242 1.00 0.00 H new ATOM 0 HA LEU A 33 70.165 -1.695 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.025 -0.390 -3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 33 72.659 -2.008 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 33 69.694 -1.494 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 33 70.143 -1.045 -6.314 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.881 0.203 -5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 33 71.893 -1.077 -5.993 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.951 -3.397 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.702 -3.426 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 33 70.552 -3.822 -3.867 1.00 0.00 H new ATOM 528 N ARG A 34 72.826 -3.665 -1.648 1.00 0.00 N ATOM 529 CA ARG A 34 73.207 -5.084 -1.399 1.00 0.00 C ATOM 530 C ARG A 34 72.639 -5.542 -0.054 1.00 0.00 C ATOM 531 O ARG A 34 72.560 -6.722 0.226 1.00 0.00 O ATOM 532 CB ARG A 34 74.732 -5.206 -1.379 1.00 0.00 C ATOM 533 CG ARG A 34 75.273 -5.085 -2.805 1.00 0.00 C ATOM 534 CD ARG A 34 74.760 -6.256 -3.646 1.00 0.00 C ATOM 535 NE ARG A 34 75.736 -6.550 -4.733 1.00 0.00 N ATOM 536 CZ ARG A 34 75.690 -7.696 -5.358 1.00 0.00 C ATOM 537 NH1 ARG A 34 76.119 -8.777 -4.769 1.00 0.00 N ATOM 538 NH2 ARG A 34 75.216 -7.757 -6.572 1.00 0.00 N ATOM 0 H ARG A 34 73.606 -3.029 -1.812 1.00 0.00 H new ATOM 0 HA ARG A 34 72.802 -5.712 -2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.161 -4.427 -0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 34 75.025 -6.163 -0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 34 74.956 -4.140 -3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 34 76.363 -5.082 -2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 34 74.622 -7.136 -3.018 1.00 0.00 H new ATOM 0 HD3 ARG A 34 73.787 -6.013 -4.072 1.00 0.00 H new ATOM 0 HE ARG A 34 76.439 -5.857 -4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 34 76.490 -8.728 -3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 34 76.083 -9.672 -5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 34 74.882 -6.910 -7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 34 75.180 -8.651 -7.061 1.00 0.00 H new ATOM 552 N ILE A 35 72.244 -4.620 0.781 1.00 0.00 N ATOM 553 CA ILE A 35 71.684 -4.991 2.099 1.00 0.00 C ATOM 554 C ILE A 35 70.245 -5.476 1.906 1.00 0.00 C ATOM 555 O ILE A 35 69.859 -6.526 2.379 1.00 0.00 O ATOM 556 CB ILE A 35 71.735 -3.744 2.998 1.00 0.00 C ATOM 557 CG1 ILE A 35 72.806 -3.936 4.069 1.00 0.00 C ATOM 558 CG2 ILE A 35 70.386 -3.488 3.671 1.00 0.00 C ATOM 559 CD1 ILE A 35 74.018 -3.075 3.720 1.00 0.00 C ATOM 0 H ILE A 35 72.288 -3.617 0.599 1.00 0.00 H new ATOM 0 HA ILE A 35 72.254 -5.794 2.566 1.00 0.00 H new ATOM 0 HB ILE A 35 71.974 -2.883 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 35 72.415 -3.656 5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 35 73.094 -4.985 4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 35 70.456 -2.600 4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 35 69.622 -3.334 2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 35 70.117 -4.347 4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 35 74.788 -3.206 4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 35 74.411 -3.377 2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.721 -2.027 3.681 1.00 0.00 H new ATOM 571 N ASN A 36 69.452 -4.698 1.227 1.00 0.00 N ATOM 572 CA ASN A 36 68.032 -5.086 1.004 1.00 0.00 C ATOM 573 C ASN A 36 67.965 -6.392 0.206 1.00 0.00 C ATOM 574 O ASN A 36 67.127 -7.235 0.454 1.00 0.00 O ATOM 575 CB ASN A 36 67.310 -3.969 0.238 1.00 0.00 C ATOM 576 CG ASN A 36 67.695 -4.014 -1.242 1.00 0.00 C ATOM 577 OD1 ASN A 36 67.434 -4.985 -1.923 1.00 0.00 O ATOM 578 ND2 ASN A 36 68.303 -2.990 -1.774 1.00 0.00 N ATOM 0 H ASN A 36 69.727 -3.806 0.815 1.00 0.00 H new ATOM 0 HA ASN A 36 67.545 -5.236 1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 36 66.231 -4.082 0.345 1.00 0.00 H new ATOM 0 HB3 ASN A 36 67.572 -2.999 0.661 1.00 0.00 H new ATOM 0 HD21 ASN A 36 68.559 -3.005 -2.761 1.00 0.00 H new ATOM 0 HD22 ASN A 36 68.523 -2.174 -1.203 1.00 0.00 H new ATOM 585 N ARG A 37 68.837 -6.571 -0.752 1.00 0.00 N ATOM 586 CA ARG A 37 68.804 -7.825 -1.550 1.00 0.00 C ATOM 587 C ARG A 37 69.620 -8.907 -0.853 1.00 0.00 C ATOM 588 O ARG A 37 69.897 -9.955 -1.400 1.00 0.00 O ATOM 589 CB ARG A 37 69.372 -7.566 -2.944 1.00 0.00 C ATOM 590 CG ARG A 37 68.252 -7.674 -3.981 1.00 0.00 C ATOM 591 CD ARG A 37 68.226 -6.408 -4.839 1.00 0.00 C ATOM 592 NE ARG A 37 68.479 -6.768 -6.261 1.00 0.00 N ATOM 593 CZ ARG A 37 69.409 -7.634 -6.559 1.00 0.00 C ATOM 594 NH1 ARG A 37 70.456 -7.757 -5.790 1.00 0.00 N ATOM 595 NH2 ARG A 37 69.293 -8.375 -7.627 1.00 0.00 N ATOM 0 H ARG A 37 69.565 -5.906 -1.013 1.00 0.00 H new ATOM 0 HA ARG A 37 67.771 -8.162 -1.640 1.00 0.00 H new ATOM 0 HB2 ARG A 37 69.825 -6.576 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 37 70.159 -8.286 -3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 37 68.409 -8.550 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 37 67.292 -7.808 -3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 37 67.260 -5.911 -4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 37 68.982 -5.704 -4.491 1.00 0.00 H new ATOM 0 HE ARG A 37 67.926 -6.338 -7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 37 70.547 -7.177 -4.956 1.00 0.00 H new ATOM 0 HH12 ARG A 37 71.183 -8.434 -6.023 1.00 0.00 H new ATOM 0 HH21 ARG A 37 68.475 -8.277 -8.229 1.00 0.00 H new ATOM 0 HH22 ARG A 37 70.020 -9.052 -7.860 1.00 0.00 H new ATOM 609 N LEU A 38 69.990 -8.652 0.357 1.00 0.00 N ATOM 610 CA LEU A 38 70.775 -9.640 1.137 1.00 0.00 C ATOM 611 C LEU A 38 69.815 -10.529 1.926 1.00 0.00 C ATOM 612 O LEU A 38 70.015 -11.719 2.061 1.00 0.00 O ATOM 613 CB LEU A 38 71.706 -8.910 2.106 1.00 0.00 C ATOM 614 CG LEU A 38 73.084 -9.575 2.093 1.00 0.00 C ATOM 615 CD1 LEU A 38 72.957 -11.019 2.582 1.00 0.00 C ATOM 616 CD2 LEU A 38 73.638 -9.568 0.667 1.00 0.00 C ATOM 0 H LEU A 38 69.780 -7.786 0.853 1.00 0.00 H new ATOM 0 HA LEU A 38 71.371 -10.250 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.794 -7.862 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.290 -8.933 3.113 1.00 0.00 H new ATOM 0 HG LEU A 38 73.759 -9.026 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 38 73.938 -11.494 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 38 72.560 -11.026 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 38 72.282 -11.568 1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 38 74.620 -10.041 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 38 72.963 -10.118 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 38 73.727 -8.540 0.316 1.00 0.00 H new ATOM 628 N SER A 39 68.772 -9.949 2.453 1.00 0.00 N ATOM 629 CA SER A 39 67.788 -10.739 3.243 1.00 0.00 C ATOM 630 C SER A 39 67.104 -11.766 2.339 1.00 0.00 C ATOM 631 O SER A 39 66.607 -12.776 2.797 1.00 0.00 O ATOM 632 CB SER A 39 66.739 -9.791 3.826 1.00 0.00 C ATOM 633 OG SER A 39 65.686 -10.553 4.403 1.00 0.00 O ATOM 0 H SER A 39 68.559 -8.955 2.369 1.00 0.00 H new ATOM 0 HA SER A 39 68.302 -11.261 4.050 1.00 0.00 H new ATOM 0 HB2 SER A 39 67.193 -9.147 4.580 1.00 0.00 H new ATOM 0 HB3 SER A 39 66.346 -9.140 3.045 1.00 0.00 H new ATOM 0 HG SER A 39 65.013 -9.948 4.779 1.00 0.00 H new ATOM 639 N GLU A 40 67.070 -11.518 1.058 1.00 0.00 N ATOM 640 CA GLU A 40 66.414 -12.477 0.130 1.00 0.00 C ATOM 641 C GLU A 40 67.436 -13.484 -0.377 1.00 0.00 C ATOM 642 O GLU A 40 67.257 -14.120 -1.397 1.00 0.00 O ATOM 643 CB GLU A 40 65.824 -11.718 -1.050 1.00 0.00 C ATOM 644 CG GLU A 40 64.298 -11.741 -0.967 1.00 0.00 C ATOM 645 CD GLU A 40 63.735 -12.560 -2.130 1.00 0.00 C ATOM 646 OE1 GLU A 40 64.457 -12.765 -3.090 1.00 0.00 O ATOM 647 OE2 GLU A 40 62.589 -12.971 -2.038 1.00 0.00 O ATOM 0 H GLU A 40 67.470 -10.691 0.615 1.00 0.00 H new ATOM 0 HA GLU A 40 65.621 -13.004 0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 40 66.182 -10.689 -1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 40 66.154 -12.169 -1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 40 63.982 -12.173 -0.018 1.00 0.00 H new ATOM 0 HG3 GLU A 40 63.906 -10.724 -1.001 1.00 0.00 H new ATOM 654 N HIS A 41 68.500 -13.626 0.335 1.00 0.00 N ATOM 655 CA HIS A 41 69.560 -14.585 -0.073 1.00 0.00 C ATOM 656 C HIS A 41 69.108 -16.012 0.241 1.00 0.00 C ATOM 657 O HIS A 41 68.545 -16.694 -0.591 1.00 0.00 O ATOM 658 CB HIS A 41 70.849 -14.280 0.692 1.00 0.00 C ATOM 659 CG HIS A 41 71.811 -13.562 -0.213 1.00 0.00 C ATOM 660 ND1 HIS A 41 73.184 -13.697 -0.089 1.00 0.00 N ATOM 661 CD2 HIS A 41 71.613 -12.698 -1.262 1.00 0.00 C ATOM 662 CE1 HIS A 41 73.755 -12.934 -1.039 1.00 0.00 C ATOM 663 NE2 HIS A 41 72.842 -12.303 -1.783 1.00 0.00 N ATOM 0 H HIS A 41 68.691 -13.115 1.197 1.00 0.00 H new ATOM 0 HA HIS A 41 69.741 -14.488 -1.143 1.00 0.00 H new ATOM 0 HB2 HIS A 41 70.629 -13.667 1.566 1.00 0.00 H new ATOM 0 HB3 HIS A 41 71.296 -15.205 1.055 1.00 0.00 H new ATOM 0 HD2 HIS A 41 70.650 -12.374 -1.627 1.00 0.00 H new ATOM 0 HE1 HIS A 41 74.822 -12.843 -1.183 1.00 0.00 H new ATOM 0 HE2 HIS A 41 73.009 -11.669 -2.564 1.00 0.00 H new ATOM 671 N LEU A 42 69.352 -16.466 1.439 1.00 0.00 N ATOM 672 CA LEU A 42 68.944 -17.844 1.820 1.00 0.00 C ATOM 673 C LEU A 42 67.418 -17.923 1.915 1.00 0.00 C ATOM 674 O LEU A 42 66.856 -18.980 2.127 1.00 0.00 O ATOM 675 CB LEU A 42 69.554 -18.183 3.177 1.00 0.00 C ATOM 676 CG LEU A 42 71.025 -18.558 2.998 1.00 0.00 C ATOM 677 CD1 LEU A 42 71.905 -17.352 3.330 1.00 0.00 C ATOM 678 CD2 LEU A 42 71.375 -19.717 3.935 1.00 0.00 C ATOM 0 H LEU A 42 69.820 -15.936 2.174 1.00 0.00 H new ATOM 0 HA LEU A 42 69.293 -18.551 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 42 69.465 -17.331 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 42 69.011 -19.009 3.635 1.00 0.00 H new ATOM 0 HG LEU A 42 71.198 -18.860 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 42 72.954 -17.621 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.658 -16.526 2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.732 -17.048 4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 42 72.424 -19.984 3.807 1.00 0.00 H new ATOM 0 HD22 LEU A 42 71.201 -19.415 4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 42 70.750 -20.578 3.698 1.00 0.00 H new ATOM 690 N LYS A 43 66.741 -16.816 1.760 1.00 0.00 N ATOM 691 CA LYS A 43 65.253 -16.828 1.840 1.00 0.00 C ATOM 692 C LYS A 43 64.657 -17.225 0.490 1.00 0.00 C ATOM 693 O LYS A 43 63.492 -17.017 0.216 1.00 0.00 O ATOM 694 CB LYS A 43 64.753 -15.440 2.225 1.00 0.00 C ATOM 695 CG LYS A 43 64.330 -15.434 3.695 1.00 0.00 C ATOM 696 CD LYS A 43 63.794 -14.050 4.066 1.00 0.00 C ATOM 697 CE LYS A 43 62.337 -13.929 3.616 1.00 0.00 C ATOM 698 NZ LYS A 43 61.485 -14.831 4.442 1.00 0.00 N ATOM 0 H LYS A 43 67.157 -15.902 1.581 1.00 0.00 H new ATOM 0 HA LYS A 43 64.944 -17.553 2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 43 65.537 -14.701 2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 43 63.911 -15.158 1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 43 63.564 -16.190 3.867 1.00 0.00 H new ATOM 0 HG3 LYS A 43 65.179 -15.689 4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 43 63.867 -13.897 5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 43 64.397 -13.276 3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 43 61.998 -12.898 3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 43 62.248 -14.192 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 60.526 -14.435 4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 61.440 -15.770 3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 61.894 -14.919 5.394 1.00 0.00 H new ATOM 712 N VAL A 44 65.461 -17.799 -0.338 1.00 0.00 N ATOM 713 CA VAL A 44 65.006 -18.240 -1.679 1.00 0.00 C ATOM 714 C VAL A 44 65.979 -19.311 -2.179 1.00 0.00 C ATOM 715 O VAL A 44 65.589 -20.302 -2.763 1.00 0.00 O ATOM 716 CB VAL A 44 65.006 -17.043 -2.633 1.00 0.00 C ATOM 717 CG1 VAL A 44 65.007 -17.531 -4.085 1.00 0.00 C ATOM 718 CG2 VAL A 44 63.756 -16.196 -2.385 1.00 0.00 C ATOM 0 H VAL A 44 66.444 -17.989 -0.141 1.00 0.00 H new ATOM 0 HA VAL A 44 63.996 -18.647 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 44 65.899 -16.444 -2.455 1.00 0.00 H new ATOM 0 HG11 VAL A 44 65.007 -16.673 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 44 65.897 -18.134 -4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 44 64.118 -18.134 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 44 63.754 -15.343 -3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 44 62.866 -16.801 -2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 44 63.756 -15.840 -1.355 1.00 0.00 H new ATOM 728 N HIS A 45 67.246 -19.114 -1.935 1.00 0.00 N ATOM 729 CA HIS A 45 68.264 -20.106 -2.368 1.00 0.00 C ATOM 730 C HIS A 45 67.846 -21.504 -1.906 1.00 0.00 C ATOM 731 O HIS A 45 67.136 -22.209 -2.595 1.00 0.00 O ATOM 732 CB HIS A 45 69.608 -19.736 -1.739 1.00 0.00 C ATOM 733 CG HIS A 45 70.366 -18.827 -2.669 1.00 0.00 C ATOM 734 ND1 HIS A 45 70.370 -19.013 -4.042 1.00 0.00 N ATOM 735 CD2 HIS A 45 71.149 -17.724 -2.437 1.00 0.00 C ATOM 736 CE1 HIS A 45 71.134 -18.044 -4.580 1.00 0.00 C ATOM 737 NE2 HIS A 45 71.633 -17.230 -3.645 1.00 0.00 N ATOM 0 H HIS A 45 67.620 -18.299 -1.449 1.00 0.00 H new ATOM 0 HA HIS A 45 68.350 -20.102 -3.455 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.449 -19.242 -0.780 1.00 0.00 H new ATOM 0 HB3 HIS A 45 70.189 -20.637 -1.541 1.00 0.00 H new ATOM 0 HD2 HIS A 45 71.358 -17.303 -1.465 1.00 0.00 H new ATOM 0 HE1 HIS A 45 71.321 -17.937 -5.638 1.00 0.00 H new ATOM 0 HE2 HIS A 45 72.238 -16.421 -3.786 1.00 0.00 H new ATOM 745 N LYS A 46 68.280 -21.911 -0.743 1.00 0.00 N ATOM 746 CA LYS A 46 67.906 -23.261 -0.239 1.00 0.00 C ATOM 747 C LYS A 46 68.300 -24.321 -1.270 1.00 0.00 C ATOM 748 O LYS A 46 67.816 -25.435 -1.244 1.00 0.00 O ATOM 749 CB LYS A 46 66.395 -23.317 -0.003 1.00 0.00 C ATOM 750 CG LYS A 46 66.101 -23.081 1.481 1.00 0.00 C ATOM 751 CD LYS A 46 65.060 -24.094 1.962 1.00 0.00 C ATOM 752 CE LYS A 46 64.692 -23.798 3.418 1.00 0.00 C ATOM 753 NZ LYS A 46 64.519 -22.329 3.598 1.00 0.00 N ATOM 0 H LYS A 46 68.877 -21.366 -0.121 1.00 0.00 H new ATOM 0 HA LYS A 46 68.429 -23.455 0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 46 65.893 -22.562 -0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 46 66.003 -24.286 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 46 67.017 -23.180 2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 46 65.734 -22.066 1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 46 64.171 -24.043 1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 46 65.455 -25.106 1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 46 63.772 -24.319 3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 46 65.472 -24.167 4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 63.942 -22.149 4.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 65.451 -21.881 3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 64.043 -21.931 2.763 1.00 0.00 H new ATOM 767 N LYS A 47 69.176 -23.983 -2.178 1.00 0.00 N ATOM 768 CA LYS A 47 69.601 -24.972 -3.210 1.00 0.00 C ATOM 769 C LYS A 47 70.492 -24.277 -4.241 1.00 0.00 C ATOM 770 O LYS A 47 70.085 -24.026 -5.358 1.00 0.00 O ATOM 771 CB LYS A 47 68.368 -25.548 -3.910 1.00 0.00 C ATOM 772 CG LYS A 47 67.487 -24.404 -4.416 1.00 0.00 C ATOM 773 CD LYS A 47 67.408 -24.457 -5.943 1.00 0.00 C ATOM 774 CE LYS A 47 66.041 -24.995 -6.366 1.00 0.00 C ATOM 775 NZ LYS A 47 66.097 -26.482 -6.450 1.00 0.00 N ATOM 0 H LYS A 47 69.615 -23.065 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 47 70.155 -25.780 -2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 47 68.673 -26.182 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 47 67.805 -26.177 -3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 47 66.488 -24.483 -3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 47 67.897 -23.446 -4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 47 67.564 -23.462 -6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.199 -25.095 -6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 47 65.280 -24.689 -5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 47 65.756 -24.576 -7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 65.167 -26.849 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 66.812 -26.763 -7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 66.351 -26.873 -5.520 1.00 0.00 H new ATOM 789 N ASP A 48 71.706 -23.965 -3.876 1.00 0.00 N ATOM 790 CA ASP A 48 72.621 -23.290 -4.835 1.00 0.00 C ATOM 791 C ASP A 48 74.022 -23.201 -4.228 1.00 0.00 C ATOM 792 O ASP A 48 75.014 -23.351 -4.913 1.00 0.00 O ATOM 793 CB ASP A 48 72.100 -21.882 -5.133 1.00 0.00 C ATOM 794 CG ASP A 48 72.527 -21.468 -6.542 1.00 0.00 C ATOM 795 OD1 ASP A 48 73.721 -21.422 -6.789 1.00 0.00 O ATOM 796 OD2 ASP A 48 71.653 -21.203 -7.351 1.00 0.00 O ATOM 0 H ASP A 48 72.102 -24.149 -2.954 1.00 0.00 H new ATOM 0 HA ASP A 48 72.664 -23.863 -5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 48 71.013 -21.859 -5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 48 72.491 -21.176 -4.401 1.00 0.00 H new ATOM 801 N HIS A 49 74.112 -22.958 -2.950 1.00 0.00 N ATOM 802 CA HIS A 49 75.451 -22.862 -2.303 1.00 0.00 C ATOM 803 C HIS A 49 75.286 -22.415 -0.849 1.00 0.00 C ATOM 804 O HIS A 49 76.082 -22.750 0.006 1.00 0.00 O ATOM 805 CB HIS A 49 76.309 -21.842 -3.055 1.00 0.00 C ATOM 806 CG HIS A 49 77.701 -22.387 -3.227 1.00 0.00 C ATOM 807 ND1 HIS A 49 78.039 -23.232 -4.272 1.00 0.00 N ATOM 808 CD2 HIS A 49 78.849 -22.218 -2.494 1.00 0.00 C ATOM 809 CE1 HIS A 49 79.343 -23.536 -4.142 1.00 0.00 C ATOM 810 NE2 HIS A 49 79.886 -22.943 -3.074 1.00 0.00 N ATOM 0 H HIS A 49 73.317 -22.822 -2.326 1.00 0.00 H new ATOM 0 HA HIS A 49 75.937 -23.837 -2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 49 75.868 -21.627 -4.028 1.00 0.00 H new ATOM 0 HB3 HIS A 49 76.341 -20.901 -2.505 1.00 0.00 H new ATOM 0 HD2 HIS A 49 78.935 -21.614 -1.603 1.00 0.00 H new ATOM 0 HE1 HIS A 49 79.885 -24.181 -4.818 1.00 0.00 H new ATOM 0 HE2 HIS A 49 80.852 -23.008 -2.753 1.00 0.00 H new ATOM 818 N HIS A 50 74.261 -21.660 -0.561 1.00 0.00 N ATOM 819 CA HIS A 50 74.051 -21.193 0.838 1.00 0.00 C ATOM 820 C HIS A 50 75.157 -20.220 1.215 1.00 0.00 C ATOM 821 O HIS A 50 75.470 -20.018 2.371 1.00 0.00 O ATOM 822 CB HIS A 50 74.092 -22.387 1.780 1.00 0.00 C ATOM 823 CG HIS A 50 72.753 -22.557 2.442 1.00 0.00 C ATOM 824 ND1 HIS A 50 72.625 -22.761 3.808 1.00 0.00 N ATOM 825 CD2 HIS A 50 71.475 -22.557 1.942 1.00 0.00 C ATOM 826 CE1 HIS A 50 71.311 -22.873 4.079 1.00 0.00 C ATOM 827 NE2 HIS A 50 70.566 -22.757 2.977 1.00 0.00 N ATOM 0 H HIS A 50 73.561 -21.347 -1.233 1.00 0.00 H new ATOM 0 HA HIS A 50 73.083 -20.698 0.916 1.00 0.00 H new ATOM 0 HB2 HIS A 50 74.352 -23.290 1.227 1.00 0.00 H new ATOM 0 HB3 HIS A 50 74.865 -22.241 2.534 1.00 0.00 H new ATOM 0 HD2 HIS A 50 71.214 -22.422 0.903 1.00 0.00 H new ATOM 0 HE1 HIS A 50 70.908 -23.037 5.068 1.00 0.00 H new ATOM 0 HE2 HIS A 50 69.549 -22.805 2.908 1.00 0.00 H new ATOM 835 N SER A 51 75.743 -19.621 0.233 1.00 0.00 N ATOM 836 CA SER A 51 76.842 -18.647 0.484 1.00 0.00 C ATOM 837 C SER A 51 76.482 -17.761 1.678 1.00 0.00 C ATOM 838 O SER A 51 75.376 -17.268 1.787 1.00 0.00 O ATOM 839 CB SER A 51 77.042 -17.774 -0.755 1.00 0.00 C ATOM 840 OG SER A 51 78.059 -18.342 -1.570 1.00 0.00 O ATOM 0 H SER A 51 75.510 -19.761 -0.750 1.00 0.00 H new ATOM 0 HA SER A 51 77.762 -19.189 0.701 1.00 0.00 H new ATOM 0 HB2 SER A 51 76.110 -17.699 -1.316 1.00 0.00 H new ATOM 0 HB3 SER A 51 77.319 -16.762 -0.460 1.00 0.00 H new ATOM 0 HG SER A 51 78.189 -17.786 -2.366 1.00 0.00 H new ATOM 846 N HIS A 52 77.407 -17.556 2.575 1.00 0.00 N ATOM 847 CA HIS A 52 77.121 -16.703 3.762 1.00 0.00 C ATOM 848 C HIS A 52 78.320 -16.735 4.712 1.00 0.00 C ATOM 849 O HIS A 52 78.171 -16.682 5.916 1.00 0.00 O ATOM 850 CB HIS A 52 75.882 -17.233 4.486 1.00 0.00 C ATOM 851 CG HIS A 52 74.915 -16.105 4.717 1.00 0.00 C ATOM 852 ND1 HIS A 52 74.219 -15.959 5.907 1.00 0.00 N ATOM 853 CD2 HIS A 52 74.517 -15.060 3.920 1.00 0.00 C ATOM 854 CE1 HIS A 52 73.446 -14.863 5.793 1.00 0.00 C ATOM 855 NE2 HIS A 52 73.591 -14.277 4.602 1.00 0.00 N ATOM 0 H HIS A 52 78.350 -17.943 2.537 1.00 0.00 H new ATOM 0 HA HIS A 52 76.940 -15.678 3.438 1.00 0.00 H new ATOM 0 HB2 HIS A 52 75.409 -18.016 3.894 1.00 0.00 H new ATOM 0 HB3 HIS A 52 76.168 -17.682 5.437 1.00 0.00 H new ATOM 0 HD2 HIS A 52 74.869 -14.874 2.916 1.00 0.00 H new ATOM 0 HE1 HIS A 52 72.789 -14.502 6.570 1.00 0.00 H new ATOM 0 HE2 HIS A 52 73.123 -13.436 4.265 1.00 0.00 H new ATOM 863 N ARG A 53 79.509 -16.822 4.180 1.00 0.00 N ATOM 864 CA ARG A 53 80.715 -16.859 5.051 1.00 0.00 C ATOM 865 C ARG A 53 80.746 -15.611 5.935 1.00 0.00 C ATOM 866 O ARG A 53 80.593 -15.686 7.138 1.00 0.00 O ATOM 867 CB ARG A 53 81.972 -16.898 4.179 1.00 0.00 C ATOM 868 CG ARG A 53 82.398 -18.351 3.963 1.00 0.00 C ATOM 869 CD ARG A 53 81.270 -19.117 3.270 1.00 0.00 C ATOM 870 NE ARG A 53 81.018 -18.523 1.928 1.00 0.00 N ATOM 871 CZ ARG A 53 81.818 -18.796 0.933 1.00 0.00 C ATOM 872 NH1 ARG A 53 82.182 -20.029 0.708 1.00 0.00 N ATOM 873 NH2 ARG A 53 82.254 -17.836 0.164 1.00 0.00 N ATOM 0 H ARG A 53 79.696 -16.869 3.178 1.00 0.00 H new ATOM 0 HA ARG A 53 80.681 -17.748 5.681 1.00 0.00 H new ATOM 0 HB2 ARG A 53 81.777 -16.419 3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 53 82.777 -16.339 4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 53 83.303 -18.389 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 53 82.634 -18.818 4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 53 81.538 -20.169 3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 53 80.363 -19.076 3.874 1.00 0.00 H new ATOM 0 HE ARG A 53 80.221 -17.903 1.786 1.00 0.00 H new ATOM 0 HH11 ARG A 53 81.841 -20.779 1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 53 82.807 -20.242 -0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 53 81.970 -16.872 0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 53 82.879 -18.049 -0.613 1.00 0.00 H new ATOM 887 N GLY A 54 80.943 -14.462 5.347 1.00 0.00 N ATOM 888 CA GLY A 54 80.984 -13.210 6.155 1.00 0.00 C ATOM 889 C GLY A 54 80.120 -12.140 5.487 1.00 0.00 C ATOM 890 O GLY A 54 80.494 -10.986 5.411 1.00 0.00 O ATOM 0 H GLY A 54 81.077 -14.336 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 54 80.623 -13.405 7.165 1.00 0.00 H new ATOM 0 HA3 GLY A 54 82.011 -12.858 6.246 1.00 0.00 H new ATOM 894 N LEU A 55 78.966 -12.510 5.000 1.00 0.00 N ATOM 895 CA LEU A 55 78.086 -11.512 4.341 1.00 0.00 C ATOM 896 C LEU A 55 77.168 -10.872 5.379 1.00 0.00 C ATOM 897 O LEU A 55 76.038 -10.525 5.098 1.00 0.00 O ATOM 898 CB LEU A 55 77.245 -12.200 3.263 1.00 0.00 C ATOM 899 CG LEU A 55 77.712 -11.746 1.879 1.00 0.00 C ATOM 900 CD1 LEU A 55 76.946 -12.515 0.802 1.00 0.00 C ATOM 901 CD2 LEU A 55 77.446 -10.247 1.720 1.00 0.00 C ATOM 0 H LEU A 55 78.598 -13.461 5.032 1.00 0.00 H new ATOM 0 HA LEU A 55 78.700 -10.739 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 55 77.337 -13.282 3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 55 76.191 -11.957 3.400 1.00 0.00 H new ATOM 0 HG LEU A 55 78.779 -11.942 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 55 77.280 -12.191 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 55 77.133 -13.583 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 55 75.879 -12.321 0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 55 77.778 -9.921 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 55 76.378 -10.054 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 55 77.992 -9.697 2.487 1.00 0.00 H new ATOM 913 N LEU A 56 77.648 -10.718 6.578 1.00 0.00 N ATOM 914 CA LEU A 56 76.825 -10.109 7.643 1.00 0.00 C ATOM 915 C LEU A 56 77.368 -8.723 7.976 1.00 0.00 C ATOM 916 O LEU A 56 76.628 -7.778 8.170 1.00 0.00 O ATOM 917 CB LEU A 56 76.892 -10.996 8.882 1.00 0.00 C ATOM 918 CG LEU A 56 76.150 -12.305 8.613 1.00 0.00 C ATOM 919 CD1 LEU A 56 76.409 -13.284 9.760 1.00 0.00 C ATOM 920 CD2 LEU A 56 74.648 -12.031 8.508 1.00 0.00 C ATOM 0 H LEU A 56 78.588 -10.993 6.864 1.00 0.00 H new ATOM 0 HA LEU A 56 75.792 -10.017 7.309 1.00 0.00 H new ATOM 0 HB2 LEU A 56 77.931 -11.201 9.140 1.00 0.00 H new ATOM 0 HB3 LEU A 56 76.448 -10.482 9.734 1.00 0.00 H new ATOM 0 HG LEU A 56 76.507 -12.737 7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 56 75.880 -14.217 9.568 1.00 0.00 H new ATOM 0 HD12 LEU A 56 77.478 -13.482 9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 56 76.054 -12.851 10.695 1.00 0.00 H new ATOM 0 HD21 LEU A 56 74.120 -12.965 8.316 1.00 0.00 H new ATOM 0 HD22 LEU A 56 74.291 -11.598 9.442 1.00 0.00 H new ATOM 0 HD23 LEU A 56 74.461 -11.335 7.691 1.00 0.00 H new ATOM 932 N MET A 57 78.658 -8.602 8.042 1.00 0.00 N ATOM 933 CA MET A 57 79.277 -7.286 8.362 1.00 0.00 C ATOM 934 C MET A 57 78.652 -6.199 7.486 1.00 0.00 C ATOM 935 O MET A 57 78.468 -5.076 7.911 1.00 0.00 O ATOM 936 CB MET A 57 80.783 -7.357 8.093 1.00 0.00 C ATOM 937 CG MET A 57 81.407 -5.977 8.308 1.00 0.00 C ATOM 938 SD MET A 57 82.683 -5.692 7.056 1.00 0.00 S ATOM 939 CE MET A 57 83.764 -7.068 7.520 1.00 0.00 C ATOM 0 H MET A 57 79.319 -9.363 7.887 1.00 0.00 H new ATOM 0 HA MET A 57 79.104 -7.047 9.411 1.00 0.00 H new ATOM 0 HB2 MET A 57 81.248 -8.085 8.758 1.00 0.00 H new ATOM 0 HB3 MET A 57 80.965 -7.695 7.073 1.00 0.00 H new ATOM 0 HG2 MET A 57 80.640 -5.205 8.244 1.00 0.00 H new ATOM 0 HG3 MET A 57 81.841 -5.913 9.306 1.00 0.00 H new ATOM 0 HE1 MET A 57 84.753 -6.916 7.088 1.00 0.00 H new ATOM 0 HE2 MET A 57 83.846 -7.116 8.606 1.00 0.00 H new ATOM 0 HE3 MET A 57 83.345 -8.002 7.146 1.00 0.00 H new ATOM 949 N MET A 58 78.323 -6.523 6.266 1.00 0.00 N ATOM 950 CA MET A 58 77.711 -5.507 5.367 1.00 0.00 C ATOM 951 C MET A 58 76.442 -4.956 6.020 1.00 0.00 C ATOM 952 O MET A 58 76.237 -3.760 6.091 1.00 0.00 O ATOM 953 CB MET A 58 77.355 -6.157 4.028 1.00 0.00 C ATOM 954 CG MET A 58 78.204 -5.536 2.917 1.00 0.00 C ATOM 955 SD MET A 58 77.904 -6.415 1.364 1.00 0.00 S ATOM 956 CE MET A 58 76.110 -6.578 1.537 1.00 0.00 C ATOM 0 H MET A 58 78.452 -7.447 5.854 1.00 0.00 H new ATOM 0 HA MET A 58 78.418 -4.695 5.198 1.00 0.00 H new ATOM 0 HB2 MET A 58 77.529 -7.232 4.076 1.00 0.00 H new ATOM 0 HB3 MET A 58 76.296 -6.015 3.813 1.00 0.00 H new ATOM 0 HG2 MET A 58 77.957 -4.480 2.803 1.00 0.00 H new ATOM 0 HG3 MET A 58 79.261 -5.590 3.179 1.00 0.00 H new ATOM 0 HE1 MET A 58 75.694 -7.006 0.625 1.00 0.00 H new ATOM 0 HE2 MET A 58 75.884 -7.231 2.380 1.00 0.00 H new ATOM 0 HE3 MET A 58 75.670 -5.596 1.711 1.00 0.00 H new ATOM 966 N VAL A 59 75.591 -5.820 6.498 1.00 0.00 N ATOM 967 CA VAL A 59 74.338 -5.350 7.147 1.00 0.00 C ATOM 968 C VAL A 59 74.683 -4.564 8.413 1.00 0.00 C ATOM 969 O VAL A 59 74.078 -3.554 8.712 1.00 0.00 O ATOM 970 CB VAL A 59 73.470 -6.555 7.515 1.00 0.00 C ATOM 971 CG1 VAL A 59 72.223 -6.077 8.260 1.00 0.00 C ATOM 972 CG2 VAL A 59 73.051 -7.288 6.239 1.00 0.00 C ATOM 0 H VAL A 59 75.710 -6.833 6.467 1.00 0.00 H new ATOM 0 HA VAL A 59 73.792 -4.706 6.457 1.00 0.00 H new ATOM 0 HB VAL A 59 74.038 -7.231 8.154 1.00 0.00 H new ATOM 0 HG11 VAL A 59 71.604 -6.935 8.522 1.00 0.00 H new ATOM 0 HG12 VAL A 59 72.520 -5.553 9.168 1.00 0.00 H new ATOM 0 HG13 VAL A 59 71.654 -5.401 7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 59 72.432 -8.147 6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 59 72.483 -6.612 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 59 73.939 -7.628 5.707 1.00 0.00 H new ATOM 982 N GLY A 60 75.653 -5.018 9.157 1.00 0.00 N ATOM 983 CA GLY A 60 76.037 -4.295 10.401 1.00 0.00 C ATOM 984 C GLY A 60 77.058 -3.207 10.065 1.00 0.00 C ATOM 985 O GLY A 60 77.619 -2.576 10.940 1.00 0.00 O ATOM 0 H GLY A 60 76.196 -5.858 8.957 1.00 0.00 H new ATOM 0 HA2 GLY A 60 75.155 -3.851 10.863 1.00 0.00 H new ATOM 0 HA3 GLY A 60 76.458 -4.993 11.124 1.00 0.00 H new ATOM 989 N GLN A 61 77.306 -2.980 8.803 1.00 0.00 N ATOM 990 CA GLN A 61 78.288 -1.937 8.414 1.00 0.00 C ATOM 991 C GLN A 61 77.576 -0.606 8.222 1.00 0.00 C ATOM 992 O GLN A 61 78.069 0.298 7.576 1.00 0.00 O ATOM 993 CB GLN A 61 78.965 -2.339 7.110 1.00 0.00 C ATOM 994 CG GLN A 61 80.443 -2.639 7.368 1.00 0.00 C ATOM 995 CD GLN A 61 81.287 -1.426 6.973 1.00 0.00 C ATOM 996 OE1 GLN A 61 81.412 -1.112 5.806 1.00 0.00 O ATOM 997 NE2 GLN A 61 81.876 -0.725 7.903 1.00 0.00 N ATOM 0 H GLN A 61 76.868 -3.475 8.026 1.00 0.00 H new ATOM 0 HA GLN A 61 79.036 -1.837 9.200 1.00 0.00 H new ATOM 0 HB2 GLN A 61 78.474 -3.216 6.689 1.00 0.00 H new ATOM 0 HB3 GLN A 61 78.869 -1.538 6.377 1.00 0.00 H new ATOM 0 HG2 GLN A 61 80.598 -2.876 8.420 1.00 0.00 H new ATOM 0 HG3 GLN A 61 80.753 -3.513 6.795 1.00 0.00 H new ATOM 0 HE21 GLN A 61 81.772 -0.988 8.883 1.00 0.00 H new ATOM 0 HE22 GLN A 61 82.441 0.086 7.650 1.00 0.00 H new ATOM 1006 N ARG A 62 76.421 -0.489 8.782 1.00 0.00 N ATOM 1007 CA ARG A 62 75.643 0.775 8.655 1.00 0.00 C ATOM 1008 C ARG A 62 75.338 1.331 10.048 1.00 0.00 C ATOM 1009 O ARG A 62 74.924 2.464 10.198 1.00 0.00 O ATOM 1010 CB ARG A 62 74.331 0.497 7.919 1.00 0.00 C ATOM 1011 CG ARG A 62 74.191 1.467 6.744 1.00 0.00 C ATOM 1012 CD ARG A 62 72.709 1.667 6.421 1.00 0.00 C ATOM 1013 NE ARG A 62 72.135 0.390 5.908 1.00 0.00 N ATOM 1014 CZ ARG A 62 70.923 0.041 6.239 1.00 0.00 C ATOM 1015 NH1 ARG A 62 69.930 0.863 6.035 1.00 0.00 N ATOM 1016 NH2 ARG A 62 70.703 -1.129 6.771 1.00 0.00 N ATOM 0 H ARG A 62 75.968 -1.219 9.332 1.00 0.00 H new ATOM 0 HA ARG A 62 76.227 1.504 8.093 1.00 0.00 H new ATOM 0 HB2 ARG A 62 74.314 -0.532 7.559 1.00 0.00 H new ATOM 0 HB3 ARG A 62 73.488 0.610 8.601 1.00 0.00 H new ATOM 0 HG2 ARG A 62 74.653 2.423 6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 62 74.715 1.076 5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 62 72.171 1.987 7.314 1.00 0.00 H new ATOM 0 HD3 ARG A 62 72.591 2.456 5.678 1.00 0.00 H new ATOM 0 HE ARG A 62 72.690 -0.210 5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 62 70.102 1.777 5.617 1.00 0.00 H new ATOM 0 HH12 ARG A 62 68.982 0.591 6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 62 71.479 -1.772 6.928 1.00 0.00 H new ATOM 0 HH22 ARG A 62 69.755 -1.401 7.030 1.00 0.00 H new ATOM 1030 N ARG A 63 75.539 0.545 11.069 1.00 0.00 N ATOM 1031 CA ARG A 63 75.262 1.028 12.449 1.00 0.00 C ATOM 1032 C ARG A 63 76.233 2.157 12.801 1.00 0.00 C ATOM 1033 O ARG A 63 76.088 2.822 13.807 1.00 0.00 O ATOM 1034 CB ARG A 63 75.438 -0.124 13.439 1.00 0.00 C ATOM 1035 CG ARG A 63 74.464 0.053 14.607 1.00 0.00 C ATOM 1036 CD ARG A 63 74.691 -1.058 15.634 1.00 0.00 C ATOM 1037 NE ARG A 63 73.605 -1.020 16.655 1.00 0.00 N ATOM 1038 CZ ARG A 63 72.381 -1.320 16.316 1.00 0.00 C ATOM 1039 NH1 ARG A 63 72.008 -2.569 16.254 1.00 0.00 N ATOM 1040 NH2 ARG A 63 71.528 -0.370 16.042 1.00 0.00 N ATOM 0 H ARG A 63 75.884 -0.413 11.006 1.00 0.00 H new ATOM 0 HA ARG A 63 74.239 1.400 12.504 1.00 0.00 H new ATOM 0 HB2 ARG A 63 75.256 -1.076 12.941 1.00 0.00 H new ATOM 0 HB3 ARG A 63 76.464 -0.148 13.807 1.00 0.00 H new ATOM 0 HG2 ARG A 63 74.610 1.028 15.072 1.00 0.00 H new ATOM 0 HG3 ARG A 63 73.436 0.024 14.245 1.00 0.00 H new ATOM 0 HD2 ARG A 63 74.705 -2.029 15.138 1.00 0.00 H new ATOM 0 HD3 ARG A 63 75.661 -0.931 16.114 1.00 0.00 H new ATOM 0 HE ARG A 63 73.819 -0.760 17.618 1.00 0.00 H new ATOM 0 HH11 ARG A 63 72.673 -3.311 16.471 1.00 0.00 H new ATOM 0 HH12 ARG A 63 71.051 -2.803 15.989 1.00 0.00 H new ATOM 0 HH21 ARG A 63 71.818 0.606 16.093 1.00 0.00 H new ATOM 0 HH22 ARG A 63 70.571 -0.604 15.777 1.00 0.00 H new ATOM 1054 N ARG A 64 77.221 2.378 11.979 1.00 0.00 N ATOM 1055 CA ARG A 64 78.199 3.461 12.263 1.00 0.00 C ATOM 1056 C ARG A 64 79.041 3.725 11.014 1.00 0.00 C ATOM 1057 O ARG A 64 80.217 4.017 11.097 1.00 0.00 O ATOM 1058 CB ARG A 64 79.111 3.038 13.416 1.00 0.00 C ATOM 1059 CG ARG A 64 79.738 4.279 14.053 1.00 0.00 C ATOM 1060 CD ARG A 64 81.059 3.896 14.723 1.00 0.00 C ATOM 1061 NE ARG A 64 81.008 4.258 16.167 1.00 0.00 N ATOM 1062 CZ ARG A 64 81.997 3.939 16.955 1.00 0.00 C ATOM 1063 NH1 ARG A 64 82.789 2.950 16.641 1.00 0.00 N ATOM 1064 NH2 ARG A 64 82.198 4.610 18.057 1.00 0.00 N ATOM 0 H ARG A 64 77.392 1.853 11.121 1.00 0.00 H new ATOM 0 HA ARG A 64 77.665 4.370 12.540 1.00 0.00 H new ATOM 0 HB2 ARG A 64 78.540 2.483 14.161 1.00 0.00 H new ATOM 0 HB3 ARG A 64 79.891 2.370 13.050 1.00 0.00 H new ATOM 0 HG2 ARG A 64 79.911 5.042 13.294 1.00 0.00 H new ATOM 0 HG3 ARG A 64 79.056 4.708 14.787 1.00 0.00 H new ATOM 0 HD2 ARG A 64 81.239 2.827 14.612 1.00 0.00 H new ATOM 0 HD3 ARG A 64 81.888 4.411 14.237 1.00 0.00 H new ATOM 0 HE ARG A 64 80.199 4.756 16.540 1.00 0.00 H new ATOM 0 HH11 ARG A 64 82.634 2.427 15.779 1.00 0.00 H new ATOM 0 HH12 ARG A 64 83.562 2.701 17.257 1.00 0.00 H new ATOM 0 HH21 ARG A 64 81.581 5.384 18.302 1.00 0.00 H new ATOM 0 HH22 ARG A 64 82.972 4.360 18.673 1.00 0.00 H new ATOM 1078 N LEU A 65 78.449 3.619 9.856 1.00 0.00 N ATOM 1079 CA LEU A 65 79.214 3.863 8.602 1.00 0.00 C ATOM 1080 C LEU A 65 79.769 5.288 8.612 1.00 0.00 C ATOM 1081 O LEU A 65 80.647 5.629 7.845 1.00 0.00 O ATOM 1082 CB LEU A 65 78.291 3.675 7.394 1.00 0.00 C ATOM 1083 CG LEU A 65 77.347 4.875 7.268 1.00 0.00 C ATOM 1084 CD1 LEU A 65 76.578 4.783 5.948 1.00 0.00 C ATOM 1085 CD2 LEU A 65 76.356 4.871 8.434 1.00 0.00 C ATOM 0 H LEU A 65 77.468 3.374 9.725 1.00 0.00 H new ATOM 0 HA LEU A 65 80.040 3.155 8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 65 78.884 3.570 6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 65 77.714 2.757 7.506 1.00 0.00 H new ATOM 0 HG LEU A 65 77.929 5.797 7.288 1.00 0.00 H new ATOM 0 HD11 LEU A 65 75.906 5.637 5.858 1.00 0.00 H new ATOM 0 HD12 LEU A 65 77.282 4.786 5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 65 75.997 3.861 5.929 1.00 0.00 H new ATOM 0 HD21 LEU A 65 75.685 5.725 8.344 1.00 0.00 H new ATOM 0 HD22 LEU A 65 75.775 3.949 8.415 1.00 0.00 H new ATOM 0 HD23 LEU A 65 76.902 4.936 9.375 1.00 0.00 H new ATOM 1097 N LEU A 66 79.260 6.124 9.475 1.00 0.00 N ATOM 1098 CA LEU A 66 79.754 7.527 9.535 1.00 0.00 C ATOM 1099 C LEU A 66 81.236 7.536 9.913 1.00 0.00 C ATOM 1100 O LEU A 66 81.997 8.372 9.466 1.00 0.00 O ATOM 1101 CB LEU A 66 78.954 8.303 10.585 1.00 0.00 C ATOM 1102 CG LEU A 66 78.775 7.441 11.836 1.00 0.00 C ATOM 1103 CD1 LEU A 66 79.171 8.249 13.074 1.00 0.00 C ATOM 1104 CD2 LEU A 66 77.309 7.017 11.955 1.00 0.00 C ATOM 0 H LEU A 66 78.523 5.895 10.141 1.00 0.00 H new ATOM 0 HA LEU A 66 79.629 7.997 8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 66 79.471 9.228 10.840 1.00 0.00 H new ATOM 0 HB3 LEU A 66 77.981 8.582 10.182 1.00 0.00 H new ATOM 0 HG LEU A 66 79.407 6.556 11.761 1.00 0.00 H new ATOM 0 HD11 LEU A 66 79.043 7.635 13.965 1.00 0.00 H new ATOM 0 HD12 LEU A 66 80.214 8.555 12.990 1.00 0.00 H new ATOM 0 HD13 LEU A 66 78.538 9.133 13.149 1.00 0.00 H new ATOM 0 HD21 LEU A 66 77.179 6.403 12.846 1.00 0.00 H new ATOM 0 HD22 LEU A 66 76.679 7.903 12.030 1.00 0.00 H new ATOM 0 HD23 LEU A 66 77.024 6.443 11.074 1.00 0.00 H new ATOM 1116 N ARG A 67 81.653 6.611 10.733 1.00 0.00 N ATOM 1117 CA ARG A 67 83.087 6.564 11.141 1.00 0.00 C ATOM 1118 C ARG A 67 83.981 6.621 9.900 1.00 0.00 C ATOM 1119 O ARG A 67 85.145 6.958 9.980 1.00 0.00 O ATOM 1120 CB ARG A 67 83.354 5.265 11.903 1.00 0.00 C ATOM 1121 CG ARG A 67 84.789 5.269 12.433 1.00 0.00 C ATOM 1122 CD ARG A 67 84.802 4.776 13.880 1.00 0.00 C ATOM 1123 NE ARG A 67 84.476 3.323 13.912 1.00 0.00 N ATOM 1124 CZ ARG A 67 85.433 2.438 13.842 1.00 0.00 C ATOM 1125 NH1 ARG A 67 86.574 2.753 13.292 1.00 0.00 N ATOM 1126 NH2 ARG A 67 85.249 1.238 14.320 1.00 0.00 N ATOM 0 H ARG A 67 81.063 5.885 11.139 1.00 0.00 H new ATOM 0 HA ARG A 67 83.309 7.417 11.782 1.00 0.00 H new ATOM 0 HB2 ARG A 67 82.650 5.165 12.729 1.00 0.00 H new ATOM 0 HB3 ARG A 67 83.200 4.408 11.247 1.00 0.00 H new ATOM 0 HG2 ARG A 67 85.418 4.629 11.814 1.00 0.00 H new ATOM 0 HG3 ARG A 67 85.205 6.275 12.377 1.00 0.00 H new ATOM 0 HD2 ARG A 67 85.781 4.950 14.326 1.00 0.00 H new ATOM 0 HD3 ARG A 67 84.078 5.335 14.473 1.00 0.00 H new ATOM 0 HE ARG A 67 83.505 3.020 13.989 1.00 0.00 H new ATOM 0 HH11 ARG A 67 86.718 3.691 12.917 1.00 0.00 H new ATOM 0 HH12 ARG A 67 87.322 2.062 13.237 1.00 0.00 H new ATOM 0 HH21 ARG A 67 84.357 0.991 14.749 1.00 0.00 H new ATOM 0 HH22 ARG A 67 85.997 0.547 14.265 1.00 0.00 H new ATOM 1140 N TYR A 68 83.452 6.286 8.755 1.00 0.00 N ATOM 1141 CA TYR A 68 84.273 6.313 7.519 1.00 0.00 C ATOM 1142 C TYR A 68 84.225 7.709 6.891 1.00 0.00 C ATOM 1143 O TYR A 68 85.191 8.445 6.914 1.00 0.00 O ATOM 1144 CB TYR A 68 83.728 5.287 6.523 1.00 0.00 C ATOM 1145 CG TYR A 68 84.876 4.633 5.794 1.00 0.00 C ATOM 1146 CD1 TYR A 68 85.477 5.283 4.708 1.00 0.00 C ATOM 1147 CD2 TYR A 68 85.340 3.377 6.201 1.00 0.00 C ATOM 1148 CE1 TYR A 68 86.542 4.676 4.032 1.00 0.00 C ATOM 1149 CE2 TYR A 68 86.405 2.771 5.525 1.00 0.00 C ATOM 1150 CZ TYR A 68 87.006 3.421 4.440 1.00 0.00 C ATOM 1151 OH TYR A 68 88.056 2.823 3.773 1.00 0.00 O ATOM 0 H TYR A 68 82.483 5.994 8.625 1.00 0.00 H new ATOM 0 HA TYR A 68 85.305 6.068 7.769 1.00 0.00 H new ATOM 0 HB2 TYR A 68 83.139 4.534 7.046 1.00 0.00 H new ATOM 0 HB3 TYR A 68 83.062 5.774 5.811 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.119 6.252 4.393 1.00 0.00 H new ATOM 0 HD2 TYR A 68 84.876 2.875 7.037 1.00 0.00 H new ATOM 0 HE1 TYR A 68 87.006 5.177 3.195 1.00 0.00 H new ATOM 0 HE2 TYR A 68 86.763 1.802 5.840 1.00 0.00 H new ATOM 0 HH TYR A 68 88.254 1.956 4.185 1.00 0.00 H new ATOM 1161 N LEU A 69 83.110 8.073 6.319 1.00 0.00 N ATOM 1162 CA LEU A 69 82.999 9.411 5.677 1.00 0.00 C ATOM 1163 C LEU A 69 82.874 10.500 6.745 1.00 0.00 C ATOM 1164 O LEU A 69 83.643 11.440 6.780 1.00 0.00 O ATOM 1165 CB LEU A 69 81.767 9.441 4.773 1.00 0.00 C ATOM 1166 CG LEU A 69 81.697 10.787 4.050 1.00 0.00 C ATOM 1167 CD1 LEU A 69 82.701 10.800 2.895 1.00 0.00 C ATOM 1168 CD2 LEU A 69 80.285 10.996 3.499 1.00 0.00 C ATOM 0 H LEU A 69 82.269 7.498 6.269 1.00 0.00 H new ATOM 0 HA LEU A 69 83.895 9.596 5.084 1.00 0.00 H new ATOM 0 HB2 LEU A 69 81.815 8.629 4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 69 80.865 9.287 5.365 1.00 0.00 H new ATOM 0 HG LEU A 69 81.938 11.588 4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 69 82.651 11.759 2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 69 83.707 10.650 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 69 82.461 10.000 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 69 80.234 11.955 2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.045 10.195 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 69 79.569 10.987 4.321 1.00 0.00 H new ATOM 1180 N GLN A 70 81.907 10.389 7.614 1.00 0.00 N ATOM 1181 CA GLN A 70 81.733 11.424 8.672 1.00 0.00 C ATOM 1182 C GLN A 70 83.083 11.708 9.336 1.00 0.00 C ATOM 1183 O GLN A 70 83.307 12.767 9.891 1.00 0.00 O ATOM 1184 CB GLN A 70 80.755 10.909 9.731 1.00 0.00 C ATOM 1185 CG GLN A 70 80.359 12.054 10.666 1.00 0.00 C ATOM 1186 CD GLN A 70 81.493 12.322 11.657 1.00 0.00 C ATOM 1187 OE1 GLN A 70 82.215 11.419 12.031 1.00 0.00 O ATOM 1188 NE2 GLN A 70 81.681 13.534 12.102 1.00 0.00 N ATOM 0 H GLN A 70 81.230 9.626 7.637 1.00 0.00 H new ATOM 0 HA GLN A 70 81.344 12.338 8.223 1.00 0.00 H new ATOM 0 HB2 GLN A 70 79.868 10.495 9.251 1.00 0.00 H new ATOM 0 HB3 GLN A 70 81.214 10.102 10.302 1.00 0.00 H new ATOM 0 HG2 GLN A 70 80.148 12.953 10.087 1.00 0.00 H new ATOM 0 HG3 GLN A 70 79.446 11.799 11.203 1.00 0.00 H new ATOM 0 HE21 GLN A 70 81.075 14.292 11.788 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.434 13.723 12.764 1.00 0.00 H new ATOM 1197 N ARG A 71 83.978 10.759 9.299 1.00 0.00 N ATOM 1198 CA ARG A 71 85.308 10.950 9.942 1.00 0.00 C ATOM 1199 C ARG A 71 86.269 11.664 8.988 1.00 0.00 C ATOM 1200 O ARG A 71 87.092 12.455 9.405 1.00 0.00 O ATOM 1201 CB ARG A 71 85.891 9.586 10.317 1.00 0.00 C ATOM 1202 CG ARG A 71 85.168 9.044 11.550 1.00 0.00 C ATOM 1203 CD ARG A 71 85.477 9.935 12.755 1.00 0.00 C ATOM 1204 NE ARG A 71 86.953 10.088 12.894 1.00 0.00 N ATOM 1205 CZ ARG A 71 87.443 10.888 13.803 1.00 0.00 C ATOM 1206 NH1 ARG A 71 86.746 11.910 14.219 1.00 0.00 N ATOM 1207 NH2 ARG A 71 88.632 10.665 14.294 1.00 0.00 N ATOM 0 H ARG A 71 83.844 9.854 8.848 1.00 0.00 H new ATOM 0 HA ARG A 71 85.180 11.561 10.836 1.00 0.00 H new ATOM 0 HB2 ARG A 71 85.783 8.891 9.484 1.00 0.00 H new ATOM 0 HB3 ARG A 71 86.958 9.678 10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 71 84.093 9.016 11.371 1.00 0.00 H new ATOM 0 HG3 ARG A 71 85.485 8.021 11.750 1.00 0.00 H new ATOM 0 HD2 ARG A 71 85.010 10.912 12.628 1.00 0.00 H new ATOM 0 HD3 ARG A 71 85.059 9.497 13.661 1.00 0.00 H new ATOM 0 HE ARG A 71 87.580 9.568 12.280 1.00 0.00 H new ATOM 0 HH11 ARG A 71 85.818 12.085 13.834 1.00 0.00 H new ATOM 0 HH12 ARG A 71 87.130 12.534 14.929 1.00 0.00 H new ATOM 0 HH21 ARG A 71 89.177 9.867 13.968 1.00 0.00 H new ATOM 0 HH22 ARG A 71 89.016 11.289 15.004 1.00 0.00 H new ATOM 1221 N GLU A 72 86.180 11.392 7.715 1.00 0.00 N ATOM 1222 CA GLU A 72 87.097 12.055 6.746 1.00 0.00 C ATOM 1223 C GLU A 72 86.517 13.392 6.304 1.00 0.00 C ATOM 1224 O GLU A 72 86.894 13.952 5.294 1.00 0.00 O ATOM 1225 CB GLU A 72 87.276 11.161 5.530 1.00 0.00 C ATOM 1226 CG GLU A 72 88.095 9.931 5.917 1.00 0.00 C ATOM 1227 CD GLU A 72 88.582 9.220 4.653 1.00 0.00 C ATOM 1228 OE1 GLU A 72 88.037 9.493 3.596 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.492 8.414 4.763 1.00 0.00 O ATOM 0 H GLU A 72 85.512 10.740 7.304 1.00 0.00 H new ATOM 0 HA GLU A 72 88.060 12.225 7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.304 10.856 5.143 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.778 11.709 4.733 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.946 10.227 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.489 9.252 6.518 1.00 0.00 H new ATOM 1236 N ASP A 73 85.605 13.892 7.064 1.00 0.00 N ATOM 1237 CA ASP A 73 84.960 15.194 6.739 1.00 0.00 C ATOM 1238 C ASP A 73 83.620 15.275 7.475 1.00 0.00 C ATOM 1239 O ASP A 73 82.734 14.485 7.220 1.00 0.00 O ATOM 1240 CB ASP A 73 84.713 15.283 5.231 1.00 0.00 C ATOM 1241 CG ASP A 73 85.711 16.261 4.609 1.00 0.00 C ATOM 1242 OD1 ASP A 73 86.772 16.441 5.184 1.00 0.00 O ATOM 1243 OD2 ASP A 73 85.396 16.813 3.567 1.00 0.00 O ATOM 0 H ASP A 73 85.265 13.450 7.918 1.00 0.00 H new ATOM 0 HA ASP A 73 85.608 16.014 7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.820 14.299 4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 73 83.693 15.615 5.037 1.00 0.00 H new ATOM 1248 N PRO A 74 83.501 16.228 8.366 1.00 0.00 N ATOM 1249 CA PRO A 74 82.266 16.420 9.139 1.00 0.00 C ATOM 1250 C PRO A 74 81.205 17.052 8.245 1.00 0.00 C ATOM 1251 O PRO A 74 80.020 16.877 8.445 1.00 0.00 O ATOM 1252 CB PRO A 74 82.687 17.359 10.273 1.00 0.00 C ATOM 1253 CG PRO A 74 83.961 18.085 9.782 1.00 0.00 C ATOM 1254 CD PRO A 74 84.569 17.200 8.676 1.00 0.00 C ATOM 0 HA PRO A 74 81.834 15.496 9.522 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.896 18.073 10.501 1.00 0.00 H new ATOM 0 HB3 PRO A 74 82.885 16.800 11.188 1.00 0.00 H new ATOM 0 HG2 PRO A 74 83.719 19.076 9.397 1.00 0.00 H new ATOM 0 HG3 PRO A 74 84.668 18.224 10.600 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.840 17.788 7.799 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.476 16.701 9.018 1.00 0.00 H new ATOM 1262 N GLU A 75 81.631 17.758 7.240 1.00 0.00 N ATOM 1263 CA GLU A 75 80.661 18.375 6.304 1.00 0.00 C ATOM 1264 C GLU A 75 80.140 17.274 5.388 1.00 0.00 C ATOM 1265 O GLU A 75 78.953 17.141 5.170 1.00 0.00 O ATOM 1266 CB GLU A 75 81.350 19.462 5.476 1.00 0.00 C ATOM 1267 CG GLU A 75 82.297 20.261 6.373 1.00 0.00 C ATOM 1268 CD GLU A 75 81.529 20.784 7.589 1.00 0.00 C ATOM 1269 OE1 GLU A 75 81.045 19.966 8.354 1.00 0.00 O ATOM 1270 OE2 GLU A 75 81.440 21.991 7.735 1.00 0.00 O ATOM 0 H GLU A 75 82.613 17.934 7.027 1.00 0.00 H new ATOM 0 HA GLU A 75 79.840 18.836 6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 75 81.905 19.011 4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 75 80.606 20.124 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 75 83.126 19.632 6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 75 82.727 21.093 5.816 1.00 0.00 H new ATOM 1277 N ARG A 76 81.023 16.455 4.873 1.00 0.00 N ATOM 1278 CA ARG A 76 80.565 15.339 4.007 1.00 0.00 C ATOM 1279 C ARG A 76 79.422 14.647 4.736 1.00 0.00 C ATOM 1280 O ARG A 76 78.410 14.302 4.156 1.00 0.00 O ATOM 1281 CB ARG A 76 81.711 14.350 3.784 1.00 0.00 C ATOM 1282 CG ARG A 76 82.706 14.936 2.781 1.00 0.00 C ATOM 1283 CD ARG A 76 82.206 14.682 1.358 1.00 0.00 C ATOM 1284 NE ARG A 76 83.265 13.981 0.578 1.00 0.00 N ATOM 1285 CZ ARG A 76 84.473 14.469 0.531 1.00 0.00 C ATOM 1286 NH1 ARG A 76 84.663 15.706 0.162 1.00 0.00 N ATOM 1287 NH2 ARG A 76 85.493 13.722 0.856 1.00 0.00 N ATOM 0 H ARG A 76 82.031 16.514 5.016 1.00 0.00 H new ATOM 0 HA ARG A 76 80.240 15.710 3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 76 82.212 14.140 4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 76 81.320 13.403 3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 76 82.822 16.006 2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 76 83.688 14.483 2.919 1.00 0.00 H new ATOM 0 HD2 ARG A 76 81.298 14.080 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 76 81.950 15.626 0.877 1.00 0.00 H new ATOM 0 HE ARG A 76 83.044 13.118 0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 76 83.866 16.291 -0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 76 85.608 16.088 0.125 1.00 0.00 H new ATOM 0 HH21 ARG A 76 85.345 12.756 1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 76 86.438 14.105 0.819 1.00 0.00 H new ATOM 1301 N TYR A 77 79.567 14.473 6.023 1.00 0.00 N ATOM 1302 CA TYR A 77 78.486 13.843 6.814 1.00 0.00 C ATOM 1303 C TYR A 77 77.251 14.739 6.703 1.00 0.00 C ATOM 1304 O TYR A 77 77.197 15.626 5.875 1.00 0.00 O ATOM 1305 CB TYR A 77 78.912 13.742 8.280 1.00 0.00 C ATOM 1306 CG TYR A 77 78.141 12.630 8.956 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.950 11.407 8.300 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.611 12.828 10.237 1.00 0.00 C ATOM 1309 CE1 TYR A 77 77.231 10.382 8.927 1.00 0.00 C ATOM 1310 CE2 TYR A 77 76.893 11.800 10.863 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.703 10.579 10.209 1.00 0.00 C ATOM 1312 OH TYR A 77 75.995 9.568 10.825 1.00 0.00 O ATOM 0 H TYR A 77 80.393 14.743 6.557 1.00 0.00 H new ATOM 0 HA TYR A 77 78.272 12.841 6.442 1.00 0.00 H new ATOM 0 HB2 TYR A 77 79.983 13.548 8.346 1.00 0.00 H new ATOM 0 HB3 TYR A 77 78.727 14.688 8.789 1.00 0.00 H new ATOM 0 HD1 TYR A 77 78.357 11.255 7.311 1.00 0.00 H new ATOM 0 HD2 TYR A 77 77.755 13.772 10.742 1.00 0.00 H new ATOM 0 HE1 TYR A 77 77.084 9.439 8.422 1.00 0.00 H new ATOM 0 HE2 TYR A 77 76.486 11.951 11.852 1.00 0.00 H new ATOM 0 HH TYR A 77 75.145 9.922 11.162 1.00 0.00 H new ATOM 1322 N ARG A 78 76.269 14.542 7.535 1.00 0.00 N ATOM 1323 CA ARG A 78 75.069 15.415 7.467 1.00 0.00 C ATOM 1324 C ARG A 78 74.586 15.508 6.020 1.00 0.00 C ATOM 1325 O ARG A 78 73.949 16.466 5.630 1.00 0.00 O ATOM 1326 CB ARG A 78 75.445 16.811 7.971 1.00 0.00 C ATOM 1327 CG ARG A 78 75.135 16.911 9.464 1.00 0.00 C ATOM 1328 CD ARG A 78 76.438 17.083 10.247 1.00 0.00 C ATOM 1329 NE ARG A 78 76.752 18.534 10.376 1.00 0.00 N ATOM 1330 CZ ARG A 78 76.251 19.224 11.365 1.00 0.00 C ATOM 1331 NH1 ARG A 78 76.204 18.708 12.562 1.00 0.00 N ATOM 1332 NH2 ARG A 78 75.796 20.429 11.154 1.00 0.00 N ATOM 0 H ARG A 78 76.246 13.819 8.254 1.00 0.00 H new ATOM 0 HA ARG A 78 74.273 14.999 8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 78 76.504 17.001 7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 78 74.889 17.570 7.421 1.00 0.00 H new ATOM 0 HG2 ARG A 78 74.471 17.755 9.652 1.00 0.00 H new ATOM 0 HG3 ARG A 78 74.613 16.014 9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 78 76.344 16.631 11.234 1.00 0.00 H new ATOM 0 HD3 ARG A 78 77.252 16.568 9.737 1.00 0.00 H new ATOM 0 HE ARG A 78 77.358 18.988 9.692 1.00 0.00 H new ATOM 0 HH11 ARG A 78 76.559 17.766 12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 78 75.813 19.247 13.335 1.00 0.00 H new ATOM 0 HH21 ARG A 78 75.832 20.831 10.217 1.00 0.00 H new ATOM 0 HH22 ARG A 78 75.404 20.969 11.926 1.00 0.00 H new ATOM 1346 N ALA A 79 74.885 14.524 5.219 1.00 0.00 N ATOM 1347 CA ALA A 79 74.444 14.566 3.806 1.00 0.00 C ATOM 1348 C ALA A 79 73.870 13.218 3.401 1.00 0.00 C ATOM 1349 O ALA A 79 72.673 13.055 3.269 1.00 0.00 O ATOM 1350 CB ALA A 79 75.633 14.915 2.915 1.00 0.00 C ATOM 0 H ALA A 79 75.416 13.695 5.486 1.00 0.00 H new ATOM 0 HA ALA A 79 73.671 15.325 3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 79 75.311 14.946 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.029 15.889 3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.409 14.159 3.032 1.00 0.00 H new ATOM 1356 N LEU A 80 74.707 12.249 3.224 1.00 0.00 N ATOM 1357 CA LEU A 80 74.206 10.901 2.849 1.00 0.00 C ATOM 1358 C LEU A 80 73.532 10.272 4.066 1.00 0.00 C ATOM 1359 O LEU A 80 73.041 9.164 4.014 1.00 0.00 O ATOM 1360 CB LEU A 80 75.373 10.027 2.385 1.00 0.00 C ATOM 1361 CG LEU A 80 76.420 10.900 1.690 1.00 0.00 C ATOM 1362 CD1 LEU A 80 77.619 11.096 2.620 1.00 0.00 C ATOM 1363 CD2 LEU A 80 76.881 10.214 0.402 1.00 0.00 C ATOM 0 H LEU A 80 75.719 12.327 3.322 1.00 0.00 H new ATOM 0 HA LEU A 80 73.487 10.984 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 80 75.819 9.515 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.015 9.257 1.702 1.00 0.00 H new ATOM 0 HG LEU A 80 75.984 11.870 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 80 78.365 11.718 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 80 77.291 11.583 3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 80 78.056 10.127 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 80 77.627 10.835 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.318 9.245 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 80 76.027 10.073 -0.261 1.00 0.00 H new ATOM 1375 N ILE A 81 73.478 10.980 5.163 1.00 0.00 N ATOM 1376 CA ILE A 81 72.809 10.418 6.358 1.00 0.00 C ATOM 1377 C ILE A 81 71.300 10.460 6.092 1.00 0.00 C ATOM 1378 O ILE A 81 70.545 9.599 6.497 1.00 0.00 O ATOM 1379 CB ILE A 81 73.198 11.228 7.622 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.047 12.130 8.077 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.425 12.083 7.354 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.090 11.312 8.939 1.00 0.00 C ATOM 0 H ILE A 81 73.867 11.916 5.277 1.00 0.00 H new ATOM 0 HA ILE A 81 73.121 9.390 6.541 1.00 0.00 H new ATOM 0 HB ILE A 81 73.420 10.511 8.413 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.433 12.978 8.643 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.522 12.536 7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.681 12.643 8.253 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.261 11.442 7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.214 12.778 6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.266 11.945 9.269 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.697 10.479 8.356 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.622 10.927 9.809 1.00 0.00 H new ATOM 1394 N GLU A 82 70.859 11.458 5.393 1.00 0.00 N ATOM 1395 CA GLU A 82 69.413 11.556 5.087 1.00 0.00 C ATOM 1396 C GLU A 82 69.103 10.849 3.762 1.00 0.00 C ATOM 1397 O GLU A 82 67.967 10.807 3.332 1.00 0.00 O ATOM 1398 CB GLU A 82 69.009 13.029 4.989 1.00 0.00 C ATOM 1399 CG GLU A 82 68.917 13.627 6.394 1.00 0.00 C ATOM 1400 CD GLU A 82 68.781 15.148 6.295 1.00 0.00 C ATOM 1401 OE1 GLU A 82 69.270 15.704 5.326 1.00 0.00 O ATOM 1402 OE2 GLU A 82 68.189 15.729 7.190 1.00 0.00 O ATOM 0 H GLU A 82 71.437 12.211 5.020 1.00 0.00 H new ATOM 0 HA GLU A 82 68.849 11.074 5.885 1.00 0.00 H new ATOM 0 HB2 GLU A 82 69.739 13.579 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 82 68.050 13.121 4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 82 68.061 13.209 6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 82 69.805 13.368 6.970 1.00 0.00 H new ATOM 1409 N LYS A 83 70.090 10.296 3.102 1.00 0.00 N ATOM 1410 CA LYS A 83 69.811 9.614 1.811 1.00 0.00 C ATOM 1411 C LYS A 83 70.345 8.174 1.826 1.00 0.00 C ATOM 1412 O LYS A 83 70.711 7.637 0.799 1.00 0.00 O ATOM 1413 CB LYS A 83 70.476 10.389 0.672 1.00 0.00 C ATOM 1414 CG LYS A 83 70.126 11.874 0.791 1.00 0.00 C ATOM 1415 CD LYS A 83 70.379 12.567 -0.549 1.00 0.00 C ATOM 1416 CE LYS A 83 71.815 12.298 -1.000 1.00 0.00 C ATOM 1417 NZ LYS A 83 72.218 13.319 -2.007 1.00 0.00 N ATOM 0 H LYS A 83 71.065 10.289 3.401 1.00 0.00 H new ATOM 0 HA LYS A 83 68.732 9.583 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.557 10.255 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 83 70.140 10.002 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 83 69.082 11.990 1.081 1.00 0.00 H new ATOM 0 HG3 LYS A 83 70.728 12.339 1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 83 69.677 12.201 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 83 70.212 13.640 -0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 83 72.489 12.330 -0.144 1.00 0.00 H new ATOM 0 HE3 LYS A 83 71.892 11.299 -1.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 73.195 13.137 -2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 71.581 13.267 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 72.160 14.267 -1.583 1.00 0.00 H new ATOM 1431 N LEU A 84 70.399 7.539 2.968 1.00 0.00 N ATOM 1432 CA LEU A 84 70.917 6.143 3.007 1.00 0.00 C ATOM 1433 C LEU A 84 70.184 5.307 4.061 1.00 0.00 C ATOM 1434 O LEU A 84 69.534 4.330 3.748 1.00 0.00 O ATOM 1435 CB LEU A 84 72.407 6.176 3.333 1.00 0.00 C ATOM 1436 CG LEU A 84 73.114 7.074 2.324 1.00 0.00 C ATOM 1437 CD1 LEU A 84 74.586 7.223 2.715 1.00 0.00 C ATOM 1438 CD2 LEU A 84 73.020 6.450 0.931 1.00 0.00 C ATOM 0 H LEU A 84 70.109 7.924 3.867 1.00 0.00 H new ATOM 0 HA LEU A 84 70.750 5.683 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 84 72.563 6.550 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 84 72.823 5.169 3.298 1.00 0.00 H new ATOM 0 HG LEU A 84 72.638 8.055 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 84 75.091 7.865 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 84 74.656 7.668 3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 84 75.061 6.242 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 84 73.526 7.092 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 84 73.495 5.469 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 84 71.972 6.343 0.650 1.00 0.00 H new ATOM 1450 N GLY A 85 70.305 5.667 5.304 1.00 0.00 N ATOM 1451 CA GLY A 85 69.640 4.877 6.386 1.00 0.00 C ATOM 1452 C GLY A 85 70.572 4.837 7.598 1.00 0.00 C ATOM 1453 O GLY A 85 70.880 3.792 8.137 1.00 0.00 O ATOM 0 H GLY A 85 70.837 6.476 5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 85 68.687 5.331 6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 85 69.425 3.866 6.040 1.00 0.00 H new ATOM 1457 N ILE A 86 71.042 5.980 7.994 1.00 0.00 N ATOM 1458 CA ILE A 86 71.983 6.093 9.128 1.00 0.00 C ATOM 1459 C ILE A 86 71.216 6.221 10.453 1.00 0.00 C ATOM 1460 O ILE A 86 70.973 5.242 11.130 1.00 0.00 O ATOM 1461 CB ILE A 86 72.824 7.342 8.852 1.00 0.00 C ATOM 1462 CG1 ILE A 86 73.450 7.900 10.113 1.00 0.00 C ATOM 1463 CG2 ILE A 86 71.941 8.419 8.245 1.00 0.00 C ATOM 1464 CD1 ILE A 86 73.920 6.763 11.022 1.00 0.00 C ATOM 0 H ILE A 86 70.802 6.871 7.560 1.00 0.00 H new ATOM 0 HA ILE A 86 72.614 5.209 9.220 1.00 0.00 H new ATOM 0 HB ILE A 86 73.622 7.051 8.169 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.293 8.541 9.855 1.00 0.00 H new ATOM 0 HG13 ILE A 86 72.727 8.522 10.641 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.537 9.310 8.047 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.512 8.055 7.311 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.139 8.666 8.940 1.00 0.00 H new ATOM 0 HD11 ILE A 86 74.368 7.180 11.924 1.00 0.00 H new ATOM 0 HD12 ILE A 86 73.069 6.139 11.294 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.659 6.159 10.496 1.00 0.00 H new ATOM 1476 N ARG A 87 70.829 7.408 10.831 1.00 0.00 N ATOM 1477 CA ARG A 87 70.087 7.591 12.087 1.00 0.00 C ATOM 1478 C ARG A 87 68.594 7.490 11.798 1.00 0.00 C ATOM 1479 O ARG A 87 68.114 6.508 11.267 1.00 0.00 O ATOM 1480 CB ARG A 87 70.446 8.963 12.665 1.00 0.00 C ATOM 1481 CG ARG A 87 71.929 8.990 13.041 1.00 0.00 C ATOM 1482 CD ARG A 87 72.123 9.844 14.296 1.00 0.00 C ATOM 1483 NE ARG A 87 71.912 9.005 15.508 1.00 0.00 N ATOM 1484 CZ ARG A 87 72.221 9.471 16.686 1.00 0.00 C ATOM 1485 NH1 ARG A 87 72.245 10.760 16.893 1.00 0.00 N ATOM 1486 NH2 ARG A 87 72.509 8.649 17.658 1.00 0.00 N ATOM 0 H ARG A 87 71.003 8.266 10.307 1.00 0.00 H new ATOM 0 HA ARG A 87 70.349 6.822 12.814 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.231 9.744 11.935 1.00 0.00 H new ATOM 0 HB3 ARG A 87 69.834 9.170 13.543 1.00 0.00 H new ATOM 0 HG2 ARG A 87 72.288 7.976 13.219 1.00 0.00 H new ATOM 0 HG3 ARG A 87 72.516 9.396 12.218 1.00 0.00 H new ATOM 0 HD2 ARG A 87 73.126 10.270 14.307 1.00 0.00 H new ATOM 0 HD3 ARG A 87 71.422 10.679 14.292 1.00 0.00 H new ATOM 0 HE ARG A 87 71.526 8.065 15.417 1.00 0.00 H new ATOM 0 HH11 ARG A 87 72.022 11.403 16.133 1.00 0.00 H new ATOM 0 HH12 ARG A 87 72.487 11.124 17.815 1.00 0.00 H new ATOM 0 HH21 ARG A 87 72.492 7.642 17.496 1.00 0.00 H new ATOM 0 HH22 ARG A 87 72.751 9.014 18.579 1.00 0.00 H new ATOM 1500 N GLY A 88 67.865 8.493 12.141 1.00 0.00 N ATOM 1501 CA GLY A 88 66.395 8.479 11.894 1.00 0.00 C ATOM 1502 C GLY A 88 65.706 7.628 12.962 1.00 0.00 C ATOM 1503 O GLY A 88 66.211 7.582 14.071 1.00 0.00 O ATOM 1504 OXT GLY A 88 64.685 7.037 12.651 1.00 0.00 O ATOM 0 H GLY A 88 68.218 9.339 12.589 1.00 0.00 H new ATOM 0 HA2 GLY A 88 66.002 9.496 11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 88 66.186 8.077 10.903 1.00 0.00 H new