USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 519 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 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-3.1!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 105:sc= 0.933 USER MOD Single : A 35 LYS NZ :NH3+ -141:sc= 0.429 (180deg=-0.328) USER MOD Single : A 36 HIS : no HD1:sc= -0.267 K(o=-0.27,f=-0.84) USER MOD Single : A 39 ASN : amide:sc= -0.874 K(o=-0.87,f=-3.9!) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -1.76 X(o=-1.8,f=-1.9) USER MOD Single : A 48 ASN : amide:sc=-0.00521 X(o=-0.0052,f=-0.0052) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.744 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0242 K(o=-0.024,f=-1.7) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -51:sc= 0.927 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.044 34.336 7.562 1.00 0.00 N ATOM 2 CA GLY A 1 1.324 34.390 6.139 1.00 0.00 C ATOM 3 C GLY A 1 0.476 33.417 5.344 1.00 0.00 C ATOM 4 O GLY A 1 0.627 32.202 5.473 1.00 0.00 O ATOM 0 H1 GLY A 1 1.649 35.019 8.061 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.045 34.572 7.728 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.237 33.378 7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.148 35.402 5.775 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.378 34.170 5.971 1.00 0.00 H new ATOM 8 N SER A 2 -0.420 33.951 4.520 1.00 0.00 N ATOM 9 CA SER A 2 -1.300 33.122 3.706 1.00 0.00 C ATOM 10 C SER A 2 -2.181 32.238 4.584 1.00 0.00 C ATOM 11 O SER A 2 -1.920 31.046 4.743 1.00 0.00 O ATOM 12 CB SER A 2 -0.478 32.253 2.751 1.00 0.00 C ATOM 13 OG SER A 2 -1.317 31.540 1.860 1.00 0.00 O ATOM 0 H SER A 2 -0.555 34.955 4.399 1.00 0.00 H new ATOM 0 HA SER A 2 -1.943 33.782 3.124 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.210 32.881 2.184 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.129 31.552 3.324 1.00 0.00 H new ATOM 0 HG SER A 2 -0.768 30.994 1.260 1.00 0.00 H new ATOM 19 N SER A 3 -3.225 32.832 5.152 1.00 0.00 N ATOM 20 CA SER A 3 -4.143 32.102 6.017 1.00 0.00 C ATOM 21 C SER A 3 -5.445 31.787 5.286 1.00 0.00 C ATOM 22 O SER A 3 -6.282 32.665 5.080 1.00 0.00 O ATOM 23 CB SER A 3 -4.438 32.910 7.282 1.00 0.00 C ATOM 24 OG SER A 3 -4.168 34.287 7.082 1.00 0.00 O ATOM 0 H SER A 3 -3.456 33.818 5.028 1.00 0.00 H new ATOM 0 HA SER A 3 -3.668 31.162 6.298 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.482 32.778 7.566 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.833 32.534 8.107 1.00 0.00 H new ATOM 0 HG SER A 3 -4.366 34.782 7.904 1.00 0.00 H new ATOM 30 N GLY A 4 -5.608 30.526 4.896 1.00 0.00 N ATOM 31 CA GLY A 4 -6.809 30.117 4.192 1.00 0.00 C ATOM 32 C GLY A 4 -6.806 28.640 3.850 1.00 0.00 C ATOM 33 O GLY A 4 -7.277 28.242 2.785 1.00 0.00 O ATOM 0 H GLY A 4 -4.930 29.781 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.681 30.343 4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.905 30.699 3.275 1.00 0.00 H new ATOM 37 N SER A 5 -6.272 27.826 4.755 1.00 0.00 N ATOM 38 CA SER A 5 -6.204 26.385 4.541 1.00 0.00 C ATOM 39 C SER A 5 -5.401 26.059 3.286 1.00 0.00 C ATOM 40 O SER A 5 -4.789 26.940 2.680 1.00 0.00 O ATOM 41 CB SER A 5 -7.612 25.798 4.426 1.00 0.00 C ATOM 42 OG SER A 5 -7.826 24.791 5.400 1.00 0.00 O ATOM 0 H SER A 5 -5.880 28.140 5.643 1.00 0.00 H new ATOM 0 HA SER A 5 -5.701 25.939 5.399 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.351 26.590 4.549 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.755 25.381 3.429 1.00 0.00 H new ATOM 0 HG SER A 5 -8.734 24.433 5.307 1.00 0.00 H new ATOM 48 N SER A 6 -5.408 24.787 2.900 1.00 0.00 N ATOM 49 CA SER A 6 -4.677 24.343 1.719 1.00 0.00 C ATOM 50 C SER A 6 -5.593 23.573 0.772 1.00 0.00 C ATOM 51 O SER A 6 -6.522 22.893 1.205 1.00 0.00 O ATOM 52 CB SER A 6 -3.492 23.465 2.126 1.00 0.00 C ATOM 53 OG SER A 6 -2.651 24.140 3.046 1.00 0.00 O ATOM 0 H SER A 6 -5.912 24.046 3.388 1.00 0.00 H new ATOM 0 HA SER A 6 -4.304 25.226 1.200 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.857 22.540 2.573 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.920 23.188 1.241 1.00 0.00 H new ATOM 0 HG SER A 6 -1.902 23.558 3.292 1.00 0.00 H new ATOM 59 N GLY A 7 -5.322 23.686 -0.525 1.00 0.00 N ATOM 60 CA GLY A 7 -6.129 22.996 -1.514 1.00 0.00 C ATOM 61 C GLY A 7 -5.620 21.598 -1.806 1.00 0.00 C ATOM 62 O GLY A 7 -4.712 21.418 -2.617 1.00 0.00 O ATOM 0 H GLY A 7 -4.558 24.243 -0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.159 22.938 -1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.140 23.575 -2.437 1.00 0.00 H new ATOM 66 N ARG A 8 -6.205 20.607 -1.141 1.00 0.00 N ATOM 67 CA ARG A 8 -5.803 19.218 -1.331 1.00 0.00 C ATOM 68 C ARG A 8 -6.746 18.273 -0.593 1.00 0.00 C ATOM 69 O ARG A 8 -7.255 18.600 0.478 1.00 0.00 O ATOM 70 CB ARG A 8 -4.368 19.009 -0.842 1.00 0.00 C ATOM 71 CG ARG A 8 -3.564 18.052 -1.705 1.00 0.00 C ATOM 72 CD ARG A 8 -3.094 16.844 -0.909 1.00 0.00 C ATOM 73 NE ARG A 8 -1.788 16.367 -1.358 1.00 0.00 N ATOM 74 CZ ARG A 8 -1.613 15.615 -2.439 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.654 15.256 -3.177 1.00 0.00 N ATOM 76 NH2 ARG A 8 -0.394 15.220 -2.783 1.00 0.00 N ATOM 0 H ARG A 8 -6.958 20.740 -0.466 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.853 18.994 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.859 19.973 -0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.393 18.630 0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.173 17.720 -2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.702 18.573 -2.121 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.041 17.105 0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.825 16.041 -1.003 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.966 16.625 -0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -3.593 15.557 -2.915 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.516 14.679 -4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.409 15.494 -2.217 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.260 14.643 -3.613 1.00 0.00 H new ATOM 90 N ASN A 9 -6.975 17.100 -1.175 1.00 0.00 N ATOM 91 CA ASN A 9 -7.858 16.108 -0.573 1.00 0.00 C ATOM 92 C ASN A 9 -7.325 15.657 0.784 1.00 0.00 C ATOM 93 O ASN A 9 -6.126 15.741 1.050 1.00 0.00 O ATOM 94 CB ASN A 9 -8.011 14.901 -1.501 1.00 0.00 C ATOM 95 CG ASN A 9 -6.840 13.943 -1.400 1.00 0.00 C ATOM 96 OD1 ASN A 9 -5.683 14.344 -1.523 1.00 0.00 O ATOM 97 ND2 ASN A 9 -7.137 12.668 -1.175 1.00 0.00 N ATOM 0 H ASN A 9 -6.561 16.814 -2.062 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.834 16.569 -0.424 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.932 14.372 -1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.106 15.247 -2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.391 11.977 -1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.111 12.380 -1.080 1.00 0.00 H new ATOM 104 N ASP A 10 -8.224 15.177 1.636 1.00 0.00 N ATOM 105 CA ASP A 10 -7.845 14.711 2.965 1.00 0.00 C ATOM 106 C ASP A 10 -8.890 13.750 3.522 1.00 0.00 C ATOM 107 O ASP A 10 -9.987 13.624 2.977 1.00 0.00 O ATOM 108 CB ASP A 10 -7.666 15.897 3.914 1.00 0.00 C ATOM 109 CG ASP A 10 -6.225 16.080 4.348 1.00 0.00 C ATOM 110 OD1 ASP A 10 -5.425 16.601 3.544 1.00 0.00 O ATOM 111 OD2 ASP A 10 -5.899 15.702 5.492 1.00 0.00 O ATOM 0 H ASP A 10 -9.220 15.100 1.430 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.897 14.179 2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.013 16.806 3.423 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.292 15.751 4.795 1.00 0.00 H new ATOM 116 N THR A 11 -8.543 13.073 4.613 1.00 0.00 N ATOM 117 CA THR A 11 -9.450 12.122 5.243 1.00 0.00 C ATOM 118 C THR A 11 -9.830 12.574 6.648 1.00 0.00 C ATOM 119 O THR A 11 -9.472 13.671 7.075 1.00 0.00 O ATOM 120 CB THR A 11 -8.826 10.716 5.319 1.00 0.00 C ATOM 121 OG1 THR A 11 -7.737 10.713 6.249 1.00 0.00 O ATOM 122 CG2 THR A 11 -8.332 10.268 3.952 1.00 0.00 C ATOM 0 H THR A 11 -7.640 13.166 5.078 1.00 0.00 H new ATOM 0 HA THR A 11 -10.345 12.080 4.623 1.00 0.00 H new ATOM 0 HB THR A 11 -9.594 10.020 5.656 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.347 9.815 6.293 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.895 9.272 4.031 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.168 10.243 3.253 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.578 10.967 3.591 1.00 0.00 H new ATOM 130 N GLU A 12 -10.557 11.720 7.363 1.00 0.00 N ATOM 131 CA GLU A 12 -10.986 12.034 8.721 1.00 0.00 C ATOM 132 C GLU A 12 -10.345 11.081 9.727 1.00 0.00 C ATOM 133 O GLU A 12 -10.230 9.881 9.476 1.00 0.00 O ATOM 134 CB GLU A 12 -12.510 11.957 8.829 1.00 0.00 C ATOM 135 CG GLU A 12 -13.073 10.577 8.534 1.00 0.00 C ATOM 136 CD GLU A 12 -14.487 10.628 7.988 1.00 0.00 C ATOM 137 OE1 GLU A 12 -14.642 10.711 6.752 1.00 0.00 O ATOM 138 OE2 GLU A 12 -15.437 10.586 8.796 1.00 0.00 O ATOM 0 H GLU A 12 -10.861 10.807 7.025 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.664 13.050 8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.810 12.255 9.834 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.951 12.675 8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.428 10.072 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.061 9.981 9.447 1.00 0.00 H new ATOM 145 N CYS A 13 -9.929 11.625 10.866 1.00 0.00 N ATOM 146 CA CYS A 13 -9.299 10.826 11.910 1.00 0.00 C ATOM 147 C CYS A 13 -9.393 11.527 13.262 1.00 0.00 C ATOM 148 O CYS A 13 -9.028 12.695 13.394 1.00 0.00 O ATOM 149 CB CYS A 13 -7.833 10.558 11.562 1.00 0.00 C ATOM 150 SG CYS A 13 -7.061 9.243 12.558 1.00 0.00 S ATOM 0 H CYS A 13 -10.017 12.616 11.089 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.829 9.876 11.976 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.764 10.289 10.508 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.265 11.479 11.693 1.00 0.00 H new ATOM 155 N ASP A 14 -9.884 10.805 14.263 1.00 0.00 N ATOM 156 CA ASP A 14 -10.025 11.356 15.606 1.00 0.00 C ATOM 157 C ASP A 14 -8.786 11.062 16.446 1.00 0.00 C ATOM 158 O ASP A 14 -8.445 11.821 17.355 1.00 0.00 O ATOM 159 CB ASP A 14 -11.268 10.782 16.288 1.00 0.00 C ATOM 160 CG ASP A 14 -12.416 11.771 16.327 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.992 12.053 15.255 1.00 0.00 O ATOM 162 OD2 ASP A 14 -12.738 12.264 17.428 1.00 0.00 O ATOM 0 H ASP A 14 -10.191 9.837 14.170 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.135 12.437 15.520 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.585 9.882 15.761 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.015 10.483 17.305 1.00 0.00 H new ATOM 167 N LEU A 15 -8.118 9.956 16.139 1.00 0.00 N ATOM 168 CA LEU A 15 -6.917 9.561 16.867 1.00 0.00 C ATOM 169 C LEU A 15 -5.907 10.703 16.913 1.00 0.00 C ATOM 170 O LEU A 15 -5.193 10.875 17.901 1.00 0.00 O ATOM 171 CB LEU A 15 -6.283 8.331 16.214 1.00 0.00 C ATOM 172 CG LEU A 15 -6.751 6.975 16.743 1.00 0.00 C ATOM 173 CD1 LEU A 15 -7.135 6.057 15.593 1.00 0.00 C ATOM 174 CD2 LEU A 15 -5.669 6.334 17.601 1.00 0.00 C ATOM 0 H LEU A 15 -8.387 9.317 15.391 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.206 9.315 17.889 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.482 8.369 15.143 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.202 8.394 16.339 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.632 7.134 17.364 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.465 5.097 15.989 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.943 6.511 15.020 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.272 5.905 14.945 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.020 5.370 17.969 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.769 6.189 17.003 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.442 6.984 18.446 1.00 0.00 H new ATOM 186 N CYS A 16 -5.854 11.483 15.838 1.00 0.00 N ATOM 187 CA CYS A 16 -4.934 12.611 15.755 1.00 0.00 C ATOM 188 C CYS A 16 -5.688 13.910 15.487 1.00 0.00 C ATOM 189 O CYS A 16 -5.319 14.970 15.990 1.00 0.00 O ATOM 190 CB CYS A 16 -3.900 12.372 14.653 1.00 0.00 C ATOM 191 SG CYS A 16 -4.622 12.007 13.022 1.00 0.00 S ATOM 0 H CYS A 16 -6.438 11.354 15.012 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.421 12.701 16.713 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.265 13.254 14.568 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.256 11.543 14.947 1.00 0.00 H new ATOM 196 N GLY A 17 -6.748 13.818 14.689 1.00 0.00 N ATOM 197 CA GLY A 17 -7.538 14.993 14.367 1.00 0.00 C ATOM 198 C GLY A 17 -7.414 15.393 12.911 1.00 0.00 C ATOM 199 O GLY A 17 -8.324 16.000 12.347 1.00 0.00 O ATOM 0 H GLY A 17 -7.074 12.952 14.260 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.585 14.798 14.599 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.221 15.824 14.997 1.00 0.00 H new ATOM 203 N GLY A 18 -6.283 15.054 12.299 1.00 0.00 N ATOM 204 CA GLY A 18 -6.064 15.392 10.904 1.00 0.00 C ATOM 205 C GLY A 18 -4.972 16.427 10.724 1.00 0.00 C ATOM 206 O GLY A 18 -5.239 17.554 10.304 1.00 0.00 O ATOM 0 H GLY A 18 -5.515 14.552 12.744 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.800 14.490 10.352 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.992 15.769 10.474 1.00 0.00 H new ATOM 210 N ASP A 19 -3.740 16.047 11.042 1.00 0.00 N ATOM 211 CA ASP A 19 -2.603 16.951 10.913 1.00 0.00 C ATOM 212 C ASP A 19 -1.290 16.174 10.895 1.00 0.00 C ATOM 213 O ASP A 19 -1.190 15.064 11.418 1.00 0.00 O ATOM 214 CB ASP A 19 -2.596 17.963 12.060 1.00 0.00 C ATOM 215 CG ASP A 19 -2.761 19.390 11.574 1.00 0.00 C ATOM 216 OD1 ASP A 19 -3.888 19.755 11.178 1.00 0.00 O ATOM 217 OD2 ASP A 19 -1.764 20.140 11.590 1.00 0.00 O ATOM 0 H ASP A 19 -3.503 15.119 11.391 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.701 17.486 9.968 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.400 17.724 12.756 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.660 17.876 12.612 1.00 0.00 H new ATOM 222 N PRO A 20 -0.258 16.769 10.278 1.00 0.00 N ATOM 223 CA PRO A 20 1.067 16.151 10.177 1.00 0.00 C ATOM 224 C PRO A 20 1.781 16.087 11.523 1.00 0.00 C ATOM 225 O PRO A 20 2.307 15.043 11.907 1.00 0.00 O ATOM 226 CB PRO A 20 1.818 17.076 9.216 1.00 0.00 C ATOM 227 CG PRO A 20 1.140 18.396 9.354 1.00 0.00 C ATOM 228 CD PRO A 20 -0.306 18.092 9.633 1.00 0.00 C ATOM 0 HA PRO A 20 1.010 15.117 9.837 1.00 0.00 H new ATOM 0 HB2 PRO A 20 2.874 17.144 9.476 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.765 16.709 8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.580 18.978 10.164 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.246 18.986 8.444 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.756 18.841 10.285 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.896 18.071 8.717 1.00 0.00 H new ATOM 236 N GLU A 21 1.796 17.210 12.234 1.00 0.00 N ATOM 237 CA GLU A 21 2.447 17.281 13.536 1.00 0.00 C ATOM 238 C GLU A 21 1.846 16.261 14.500 1.00 0.00 C ATOM 239 O GLU A 21 2.557 15.426 15.060 1.00 0.00 O ATOM 240 CB GLU A 21 2.317 18.689 14.121 1.00 0.00 C ATOM 241 CG GLU A 21 3.565 19.538 13.944 1.00 0.00 C ATOM 242 CD GLU A 21 3.472 20.869 14.666 1.00 0.00 C ATOM 243 OE1 GLU A 21 2.396 21.500 14.610 1.00 0.00 O ATOM 244 OE2 GLU A 21 4.475 21.278 15.286 1.00 0.00 O ATOM 0 H GLU A 21 1.365 18.083 11.930 1.00 0.00 H new ATOM 0 HA GLU A 21 3.503 17.049 13.399 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.474 19.194 13.648 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.087 18.612 15.184 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.430 18.988 14.314 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.731 19.716 12.882 1.00 0.00 H new ATOM 251 N LYS A 22 0.533 16.336 14.689 1.00 0.00 N ATOM 252 CA LYS A 22 -0.165 15.421 15.584 1.00 0.00 C ATOM 253 C LYS A 22 0.142 13.970 15.226 1.00 0.00 C ATOM 254 O LYS A 22 -0.406 13.427 14.268 1.00 0.00 O ATOM 255 CB LYS A 22 -1.674 15.665 15.519 1.00 0.00 C ATOM 256 CG LYS A 22 -2.070 17.107 15.785 1.00 0.00 C ATOM 257 CD LYS A 22 -3.450 17.200 16.414 1.00 0.00 C ATOM 258 CE LYS A 22 -3.656 18.537 17.109 1.00 0.00 C ATOM 259 NZ LYS A 22 -4.747 18.473 18.121 1.00 0.00 N ATOM 0 H LYS A 22 -0.070 17.022 14.234 1.00 0.00 H new ATOM 0 HA LYS A 22 0.184 15.608 16.600 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.039 15.373 14.534 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.169 15.021 16.246 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.337 17.571 16.445 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.057 17.667 14.850 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.211 17.067 15.645 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.579 16.391 17.133 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.728 18.841 17.594 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.893 19.299 16.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.857 19.403 18.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.638 18.207 17.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.509 17.763 18.843 1.00 0.00 H new ATOM 273 N LYS A 23 1.021 13.348 16.004 1.00 0.00 N ATOM 274 CA LYS A 23 1.400 11.959 15.772 1.00 0.00 C ATOM 275 C LYS A 23 0.185 11.041 15.861 1.00 0.00 C ATOM 276 O LYS A 23 -0.709 11.256 16.680 1.00 0.00 O ATOM 277 CB LYS A 23 2.459 11.521 16.787 1.00 0.00 C ATOM 278 CG LYS A 23 3.535 10.626 16.196 1.00 0.00 C ATOM 279 CD LYS A 23 4.781 10.604 17.065 1.00 0.00 C ATOM 280 CE LYS A 23 6.045 10.749 16.231 1.00 0.00 C ATOM 281 NZ LYS A 23 6.625 9.426 15.869 1.00 0.00 N ATOM 0 H LYS A 23 1.485 13.784 16.801 1.00 0.00 H new ATOM 0 HA LYS A 23 1.816 11.885 14.767 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.929 12.407 17.214 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.969 10.994 17.606 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.148 9.613 16.088 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.793 10.977 15.197 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.731 11.412 17.795 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.819 9.670 17.625 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.819 11.307 15.323 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.782 11.329 16.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.485 9.568 15.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.865 8.903 16.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.931 8.882 15.317 1.00 0.00 H new ATOM 295 N CYS A 24 0.159 10.017 15.015 1.00 0.00 N ATOM 296 CA CYS A 24 -0.945 9.065 14.999 1.00 0.00 C ATOM 297 C CYS A 24 -0.430 7.637 14.851 1.00 0.00 C ATOM 298 O CYS A 24 0.676 7.412 14.359 1.00 0.00 O ATOM 299 CB CYS A 24 -1.911 9.392 13.858 1.00 0.00 C ATOM 300 SG CYS A 24 -3.570 8.668 14.058 1.00 0.00 S ATOM 0 H CYS A 24 0.891 9.825 14.331 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.474 9.144 15.948 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.006 10.475 13.776 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.482 9.038 12.921 1.00 0.00 H new ATOM 305 N HIS A 25 -1.240 6.674 15.279 1.00 0.00 N ATOM 306 CA HIS A 25 -0.868 5.266 15.193 1.00 0.00 C ATOM 307 C HIS A 25 -1.494 4.612 13.966 1.00 0.00 C ATOM 308 O HIS A 25 -0.945 3.662 13.408 1.00 0.00 O ATOM 309 CB HIS A 25 -1.301 4.524 16.458 1.00 0.00 C ATOM 310 CG HIS A 25 -0.157 4.111 17.332 1.00 0.00 C ATOM 311 ND1 HIS A 25 0.990 3.523 16.842 1.00 0.00 N ATOM 312 CD2 HIS A 25 0.014 4.206 18.671 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.816 3.272 17.842 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.247 3.678 18.963 1.00 0.00 N ATOM 0 H HIS A 25 -2.159 6.843 15.689 1.00 0.00 H new ATOM 0 HA HIS A 25 0.216 5.208 15.100 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.973 5.162 17.031 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.868 3.638 16.173 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.689 4.620 19.378 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.790 2.813 17.758 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.657 3.610 19.894 1.00 0.00 H new ATOM 322 N SER A 26 -2.647 5.127 13.550 1.00 0.00 N ATOM 323 CA SER A 26 -3.351 4.590 12.391 1.00 0.00 C ATOM 324 C SER A 26 -2.805 5.189 11.099 1.00 0.00 C ATOM 325 O SER A 26 -2.343 4.469 10.213 1.00 0.00 O ATOM 326 CB SER A 26 -4.850 4.870 12.504 1.00 0.00 C ATOM 327 OG SER A 26 -5.529 4.501 11.316 1.00 0.00 O ATOM 0 H SER A 26 -3.113 5.916 13.998 1.00 0.00 H new ATOM 0 HA SER A 26 -3.192 3.512 12.367 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.263 4.319 13.349 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.011 5.929 12.705 1.00 0.00 H new ATOM 0 HG SER A 26 -6.486 4.689 11.414 1.00 0.00 H new ATOM 333 N CYS A 27 -2.863 6.513 10.997 1.00 0.00 N ATOM 334 CA CYS A 27 -2.376 7.211 9.814 1.00 0.00 C ATOM 335 C CYS A 27 -0.938 6.809 9.498 1.00 0.00 C ATOM 336 O CYS A 27 -0.514 6.838 8.343 1.00 0.00 O ATOM 337 CB CYS A 27 -2.461 8.725 10.019 1.00 0.00 C ATOM 338 SG CYS A 27 -4.147 9.340 10.333 1.00 0.00 S ATOM 0 H CYS A 27 -3.243 7.124 11.720 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.007 6.929 8.971 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.822 9.004 10.857 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.063 9.223 9.135 1.00 0.00 H new ATOM 343 N SER A 28 -0.193 6.435 10.533 1.00 0.00 N ATOM 344 CA SER A 28 1.198 6.031 10.367 1.00 0.00 C ATOM 345 C SER A 28 1.424 4.625 10.914 1.00 0.00 C ATOM 346 O SER A 28 0.474 3.914 11.245 1.00 0.00 O ATOM 347 CB SER A 28 2.127 7.021 11.074 1.00 0.00 C ATOM 348 OG SER A 28 2.287 6.683 12.441 1.00 0.00 O ATOM 0 H SER A 28 -0.529 6.403 11.495 1.00 0.00 H new ATOM 0 HA SER A 28 1.425 6.028 9.301 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.099 7.027 10.581 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.721 8.029 10.990 1.00 0.00 H new ATOM 0 HG SER A 28 3.169 6.278 12.577 1.00 0.00 H new ATOM 354 N CYS A 29 2.689 4.229 11.007 1.00 0.00 N ATOM 355 CA CYS A 29 3.043 2.909 11.513 1.00 0.00 C ATOM 356 C CYS A 29 2.406 2.660 12.877 1.00 0.00 C ATOM 357 O CYS A 29 2.542 3.470 13.794 1.00 0.00 O ATOM 358 CB CYS A 29 4.563 2.769 11.615 1.00 0.00 C ATOM 359 SG CYS A 29 5.139 1.055 11.836 1.00 0.00 S ATOM 0 H CYS A 29 3.487 4.805 10.738 1.00 0.00 H new ATOM 0 HA CYS A 29 2.663 2.166 10.813 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.016 3.180 10.713 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.917 3.371 12.452 1.00 0.00 H new ATOM 364 N ARG A 30 1.711 1.535 13.003 1.00 0.00 N ATOM 365 CA ARG A 30 1.052 1.179 14.254 1.00 0.00 C ATOM 366 C ARG A 30 1.949 0.287 15.107 1.00 0.00 C ATOM 367 O ARG A 30 1.745 0.156 16.314 1.00 0.00 O ATOM 368 CB ARG A 30 -0.274 0.469 13.973 1.00 0.00 C ATOM 369 CG ARG A 30 -1.351 0.759 15.006 1.00 0.00 C ATOM 370 CD ARG A 30 -2.643 1.218 14.348 1.00 0.00 C ATOM 371 NE ARG A 30 -3.518 1.914 15.287 1.00 0.00 N ATOM 372 CZ ARG A 30 -4.788 2.205 15.031 1.00 0.00 C ATOM 373 NH1 ARG A 30 -5.329 1.863 13.870 1.00 0.00 N ATOM 374 NH2 ARG A 30 -5.521 2.841 15.936 1.00 0.00 N ATOM 0 H ARG A 30 1.589 0.854 12.254 1.00 0.00 H new ATOM 0 HA ARG A 30 0.854 2.098 14.805 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.636 0.769 12.989 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.100 -0.606 13.934 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.541 -0.137 15.597 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.999 1.527 15.695 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.410 1.878 13.513 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.166 0.355 13.936 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.132 2.192 16.189 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.769 1.375 13.171 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.305 2.088 13.676 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.109 3.107 16.830 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.496 3.064 15.737 1.00 0.00 H new ATOM 388 N VAL A 31 2.943 -0.324 14.471 1.00 0.00 N ATOM 389 CA VAL A 31 3.872 -1.204 15.171 1.00 0.00 C ATOM 390 C VAL A 31 4.812 -0.407 16.069 1.00 0.00 C ATOM 391 O VAL A 31 4.675 -0.416 17.293 1.00 0.00 O ATOM 392 CB VAL A 31 4.709 -2.037 14.182 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.706 -2.910 14.929 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.803 -2.884 13.300 1.00 0.00 C ATOM 0 H VAL A 31 3.126 -0.226 13.472 1.00 0.00 H new ATOM 0 HA VAL A 31 3.271 -1.876 15.783 1.00 0.00 H new ATOM 0 HB VAL A 31 5.268 -1.355 13.542 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.288 -3.491 14.214 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.375 -2.279 15.514 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.170 -3.586 15.595 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.411 -3.466 12.607 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.216 -3.559 13.923 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.133 -2.235 12.737 1.00 0.00 H new ATOM 404 N CYS A 32 5.767 0.282 15.454 1.00 0.00 N ATOM 405 CA CYS A 32 6.730 1.085 16.197 1.00 0.00 C ATOM 406 C CYS A 32 6.113 2.411 16.632 1.00 0.00 C ATOM 407 O CYS A 32 6.540 3.013 17.616 1.00 0.00 O ATOM 408 CB CYS A 32 7.974 1.345 15.344 1.00 0.00 C ATOM 409 SG CYS A 32 7.706 2.516 13.976 1.00 0.00 S ATOM 0 H CYS A 32 5.895 0.300 14.442 1.00 0.00 H new ATOM 0 HA CYS A 32 7.018 0.528 17.089 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.768 1.728 15.986 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.325 0.398 14.934 1.00 0.00 H new ATOM 414 N GLY A 33 5.104 2.859 15.892 1.00 0.00 N ATOM 415 CA GLY A 33 4.443 4.110 16.217 1.00 0.00 C ATOM 416 C GLY A 33 5.180 5.315 15.666 1.00 0.00 C ATOM 417 O GLY A 33 5.257 6.355 16.317 1.00 0.00 O ATOM 0 H GLY A 33 4.732 2.378 15.073 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.428 4.095 15.819 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.360 4.203 17.300 1.00 0.00 H new ATOM 421 N GLY A 34 5.725 5.173 14.461 1.00 0.00 N ATOM 422 CA GLY A 34 6.453 6.266 13.844 1.00 0.00 C ATOM 423 C GLY A 34 5.660 6.945 12.745 1.00 0.00 C ATOM 424 O GLY A 34 4.836 6.313 12.082 1.00 0.00 O ATOM 0 H GLY A 34 5.675 4.321 13.902 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.714 7.000 14.606 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.389 5.888 13.432 1.00 0.00 H new ATOM 428 N LYS A 35 5.906 8.236 12.551 1.00 0.00 N ATOM 429 CA LYS A 35 5.208 9.002 11.525 1.00 0.00 C ATOM 430 C LYS A 35 6.192 9.573 10.509 1.00 0.00 C ATOM 431 O LYS A 35 6.123 10.751 10.156 1.00 0.00 O ATOM 432 CB LYS A 35 4.404 10.136 12.165 1.00 0.00 C ATOM 433 CG LYS A 35 3.328 10.706 11.257 1.00 0.00 C ATOM 434 CD LYS A 35 2.148 11.236 12.056 1.00 0.00 C ATOM 435 CE LYS A 35 0.833 10.999 11.330 1.00 0.00 C ATOM 436 NZ LYS A 35 -0.299 11.707 11.988 1.00 0.00 N ATOM 0 H LYS A 35 6.584 8.774 13.091 1.00 0.00 H new ATOM 0 HA LYS A 35 4.526 8.329 11.005 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.939 9.769 13.080 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.086 10.936 12.453 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.749 11.509 10.652 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.985 9.934 10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.119 10.750 13.031 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.279 12.303 12.236 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.922 11.337 10.298 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.623 9.930 11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.146 11.103 11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.049 11.919 12.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.494 12.595 11.482 1.00 0.00 H new ATOM 450 N HIS A 36 7.108 8.731 10.040 1.00 0.00 N ATOM 451 CA HIS A 36 8.105 9.152 9.063 1.00 0.00 C ATOM 452 C HIS A 36 8.216 8.138 7.928 1.00 0.00 C ATOM 453 O HIS A 36 7.637 7.054 7.994 1.00 0.00 O ATOM 454 CB HIS A 36 9.466 9.332 9.736 1.00 0.00 C ATOM 455 CG HIS A 36 9.964 8.096 10.421 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.389 7.587 11.566 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.987 7.266 10.114 1.00 0.00 C ATOM 458 CE1 HIS A 36 10.038 6.498 11.935 1.00 0.00 C ATOM 459 NE2 HIS A 36 11.013 6.281 11.071 1.00 0.00 N ATOM 0 H HIS A 36 7.180 7.753 10.321 1.00 0.00 H new ATOM 0 HA HIS A 36 7.786 10.107 8.644 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.195 9.641 8.986 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.398 10.139 10.465 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.658 7.360 9.273 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.810 5.888 12.797 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.677 5.508 11.108 1.00 0.00 H new ATOM 467 N GLU A 37 8.962 8.499 6.889 1.00 0.00 N ATOM 468 CA GLU A 37 9.146 7.620 5.740 1.00 0.00 C ATOM 469 C GLU A 37 7.803 7.257 5.112 1.00 0.00 C ATOM 470 O GLU A 37 7.388 6.098 5.101 1.00 0.00 O ATOM 471 CB GLU A 37 9.887 6.348 6.156 1.00 0.00 C ATOM 472 CG GLU A 37 11.386 6.543 6.315 1.00 0.00 C ATOM 473 CD GLU A 37 12.189 5.403 5.717 1.00 0.00 C ATOM 474 OE1 GLU A 37 11.661 4.273 5.655 1.00 0.00 O ATOM 475 OE2 GLU A 37 13.345 5.642 5.312 1.00 0.00 O ATOM 0 H GLU A 37 9.448 9.393 6.819 1.00 0.00 H new ATOM 0 HA GLU A 37 9.742 8.153 4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.474 5.988 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.707 5.572 5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.680 7.478 5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.626 6.635 7.374 1.00 0.00 H new ATOM 482 N PRO A 38 7.106 8.271 4.577 1.00 0.00 N ATOM 483 CA PRO A 38 5.800 8.084 3.938 1.00 0.00 C ATOM 484 C PRO A 38 5.904 7.329 2.617 1.00 0.00 C ATOM 485 O PRO A 38 4.911 6.815 2.106 1.00 0.00 O ATOM 486 CB PRO A 38 5.314 9.515 3.699 1.00 0.00 C ATOM 487 CG PRO A 38 6.559 10.330 3.621 1.00 0.00 C ATOM 488 CD PRO A 38 7.541 9.678 4.555 1.00 0.00 C ATOM 0 HA PRO A 38 5.127 7.488 4.554 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.735 9.588 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.669 9.854 4.509 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.946 10.354 2.602 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.368 11.362 3.914 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.565 9.777 4.195 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.508 10.125 5.549 1.00 0.00 H new ATOM 496 N ASN A 39 7.114 7.267 2.070 1.00 0.00 N ATOM 497 CA ASN A 39 7.347 6.574 0.808 1.00 0.00 C ATOM 498 C ASN A 39 7.502 5.073 1.032 1.00 0.00 C ATOM 499 O ASN A 39 7.154 4.267 0.169 1.00 0.00 O ATOM 500 CB ASN A 39 8.595 7.130 0.120 1.00 0.00 C ATOM 501 CG ASN A 39 9.878 6.593 0.726 1.00 0.00 C ATOM 502 OD1 ASN A 39 10.037 6.567 1.947 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.800 6.162 -0.127 1.00 0.00 N ATOM 0 H ASN A 39 7.948 7.688 2.481 1.00 0.00 H new ATOM 0 HA ASN A 39 6.482 6.740 0.166 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.564 6.879 -0.940 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.591 8.218 0.190 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.683 5.790 0.222 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.625 6.203 -1.131 1.00 0.00 H new ATOM 510 N MET A 40 8.028 4.705 2.196 1.00 0.00 N ATOM 511 CA MET A 40 8.228 3.301 2.533 1.00 0.00 C ATOM 512 C MET A 40 7.085 2.782 3.401 1.00 0.00 C ATOM 513 O MET A 40 7.258 1.837 4.169 1.00 0.00 O ATOM 514 CB MET A 40 9.561 3.113 3.260 1.00 0.00 C ATOM 515 CG MET A 40 10.771 3.470 2.412 1.00 0.00 C ATOM 516 SD MET A 40 11.549 2.023 1.669 1.00 0.00 S ATOM 517 CE MET A 40 12.840 1.683 2.863 1.00 0.00 C ATOM 0 H MET A 40 8.323 5.359 2.921 1.00 0.00 H new ATOM 0 HA MET A 40 8.245 2.730 1.605 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.564 3.728 4.160 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.647 2.075 3.582 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.467 4.159 1.624 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.501 3.993 3.029 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.411 0.812 2.543 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.503 2.545 2.937 1.00 0.00 H new ATOM 0 HE3 MET A 40 12.392 1.485 3.837 1.00 0.00 H new ATOM 527 N GLN A 41 5.919 3.408 3.273 1.00 0.00 N ATOM 528 CA GLN A 41 4.750 3.010 4.047 1.00 0.00 C ATOM 529 C GLN A 41 3.757 2.245 3.178 1.00 0.00 C ATOM 530 O GLN A 41 3.387 2.697 2.094 1.00 0.00 O ATOM 531 CB GLN A 41 4.072 4.239 4.655 1.00 0.00 C ATOM 532 CG GLN A 41 4.576 4.586 6.046 1.00 0.00 C ATOM 533 CD GLN A 41 4.335 6.038 6.409 1.00 0.00 C ATOM 534 OE1 GLN A 41 5.255 6.750 6.811 1.00 0.00 O ATOM 535 NE2 GLN A 41 3.092 6.485 6.269 1.00 0.00 N ATOM 0 H GLN A 41 5.759 4.192 2.641 1.00 0.00 H new ATOM 0 HA GLN A 41 5.084 2.353 4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.230 5.093 3.997 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.997 4.065 4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.082 3.946 6.777 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.643 4.373 6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.360 5.860 5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.870 7.454 6.498 1.00 0.00 H new ATOM 544 N LEU A 42 3.330 1.083 3.660 1.00 0.00 N ATOM 545 CA LEU A 42 2.380 0.253 2.927 1.00 0.00 C ATOM 546 C LEU A 42 0.965 0.439 3.466 1.00 0.00 C ATOM 547 O LEU A 42 0.722 0.294 4.665 1.00 0.00 O ATOM 548 CB LEU A 42 2.782 -1.220 3.018 1.00 0.00 C ATOM 549 CG LEU A 42 4.278 -1.515 2.902 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.555 -2.985 3.174 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.795 -1.119 1.526 1.00 0.00 C ATOM 0 H LEU A 42 3.626 0.694 4.555 1.00 0.00 H new ATOM 0 HA LEU A 42 2.396 0.564 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.427 -1.615 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.262 -1.767 2.232 1.00 0.00 H new ATOM 0 HG LEU A 42 4.804 -0.923 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.625 -3.176 3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.222 -3.238 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.017 -3.597 2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.861 -1.336 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.263 -1.684 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.632 -0.053 1.369 1.00 0.00 H new ATOM 563 N LEU A 43 0.035 0.760 2.574 1.00 0.00 N ATOM 564 CA LEU A 43 -1.357 0.964 2.960 1.00 0.00 C ATOM 565 C LEU A 43 -2.177 -0.302 2.730 1.00 0.00 C ATOM 566 O LEU A 43 -2.008 -0.989 1.723 1.00 0.00 O ATOM 567 CB LEU A 43 -1.961 2.126 2.169 1.00 0.00 C ATOM 568 CG LEU A 43 -2.525 3.281 2.998 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.769 2.838 3.752 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.473 3.807 3.964 1.00 0.00 C ATOM 0 H LEU A 43 0.219 0.885 1.579 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.382 1.204 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.195 2.523 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.759 1.734 1.538 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.803 4.088 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.157 3.672 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.527 2.509 3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.516 2.014 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.891 4.628 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.164 3.007 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.609 4.163 3.403 1.00 0.00 H new ATOM 582 N CYS A 44 -3.066 -0.603 3.671 1.00 0.00 N ATOM 583 CA CYS A 44 -3.914 -1.785 3.571 1.00 0.00 C ATOM 584 C CYS A 44 -5.115 -1.518 2.668 1.00 0.00 C ATOM 585 O CYS A 44 -5.639 -0.405 2.628 1.00 0.00 O ATOM 586 CB CYS A 44 -4.391 -2.214 4.960 1.00 0.00 C ATOM 587 SG CYS A 44 -5.390 -3.737 4.965 1.00 0.00 S ATOM 0 H CYS A 44 -3.218 -0.045 4.511 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.324 -2.590 3.132 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.522 -2.360 5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.978 -1.406 5.397 1.00 0.00 H new ATOM 592 N ASP A 45 -5.545 -2.547 1.947 1.00 0.00 N ATOM 593 CA ASP A 45 -6.685 -2.426 1.045 1.00 0.00 C ATOM 594 C ASP A 45 -7.967 -2.895 1.725 1.00 0.00 C ATOM 595 O ASP A 45 -8.866 -3.428 1.074 1.00 0.00 O ATOM 596 CB ASP A 45 -6.442 -3.236 -0.230 1.00 0.00 C ATOM 597 CG ASP A 45 -6.707 -2.430 -1.486 1.00 0.00 C ATOM 598 OD1 ASP A 45 -6.356 -1.232 -1.509 1.00 0.00 O ATOM 599 OD2 ASP A 45 -7.265 -2.998 -2.448 1.00 0.00 O ATOM 0 H ASP A 45 -5.122 -3.475 1.969 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.799 -1.375 0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.412 -3.592 -0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.083 -4.117 -0.225 1.00 0.00 H new ATOM 604 N GLU A 46 -8.044 -2.693 3.036 1.00 0.00 N ATOM 605 CA GLU A 46 -9.216 -3.098 3.803 1.00 0.00 C ATOM 606 C GLU A 46 -9.494 -2.111 4.934 1.00 0.00 C ATOM 607 O GLU A 46 -10.547 -1.474 4.972 1.00 0.00 O ATOM 608 CB GLU A 46 -9.019 -4.503 4.376 1.00 0.00 C ATOM 609 CG GLU A 46 -10.290 -5.113 4.943 1.00 0.00 C ATOM 610 CD GLU A 46 -11.394 -5.225 3.910 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.250 -6.040 2.974 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.402 -4.499 4.038 1.00 0.00 O ATOM 0 H GLU A 46 -7.309 -2.252 3.589 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.073 -3.105 3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.631 -5.155 3.593 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.264 -4.464 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.067 -6.103 5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.639 -4.506 5.778 1.00 0.00 H new ATOM 619 N CYS A 47 -8.542 -1.990 5.853 1.00 0.00 N ATOM 620 CA CYS A 47 -8.683 -1.082 6.985 1.00 0.00 C ATOM 621 C CYS A 47 -7.998 0.252 6.701 1.00 0.00 C ATOM 622 O CYS A 47 -8.219 1.236 7.405 1.00 0.00 O ATOM 623 CB CYS A 47 -8.091 -1.713 8.247 1.00 0.00 C ATOM 624 SG CYS A 47 -6.314 -2.096 8.124 1.00 0.00 S ATOM 0 H CYS A 47 -7.664 -2.509 5.836 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.746 -0.898 7.142 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.249 -1.036 9.087 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.635 -2.631 8.471 1.00 0.00 H new ATOM 629 N ASN A 48 -7.168 0.275 5.664 1.00 0.00 N ATOM 630 CA ASN A 48 -6.451 1.488 5.286 1.00 0.00 C ATOM 631 C ASN A 48 -5.491 1.919 6.391 1.00 0.00 C ATOM 632 O ASN A 48 -5.670 2.969 7.009 1.00 0.00 O ATOM 633 CB ASN A 48 -7.439 2.616 4.984 1.00 0.00 C ATOM 634 CG ASN A 48 -8.558 2.173 4.061 1.00 0.00 C ATOM 635 OD1 ASN A 48 -8.312 1.596 3.002 1.00 0.00 O ATOM 636 ND2 ASN A 48 -9.795 2.443 4.460 1.00 0.00 N ATOM 0 H ASN A 48 -6.975 -0.532 5.070 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.871 1.273 4.389 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.865 2.982 5.918 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.905 3.451 4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.589 2.170 3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.952 2.923 5.346 1.00 0.00 H new ATOM 643 N VAL A 49 -4.472 1.102 6.634 1.00 0.00 N ATOM 644 CA VAL A 49 -3.482 1.399 7.663 1.00 0.00 C ATOM 645 C VAL A 49 -2.077 1.454 7.075 1.00 0.00 C ATOM 646 O VAL A 49 -1.718 0.644 6.222 1.00 0.00 O ATOM 647 CB VAL A 49 -3.513 0.350 8.791 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.096 -1.014 8.264 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.620 0.782 9.944 1.00 0.00 C ATOM 0 H VAL A 49 -4.310 0.229 6.132 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.738 2.375 8.076 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.535 0.271 9.163 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.124 -1.742 9.075 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.781 -1.324 7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.084 -0.956 7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.654 0.030 10.732 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.595 0.890 9.589 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.970 1.736 10.338 1.00 0.00 H new ATOM 659 N ALA A 50 -1.285 2.416 7.537 1.00 0.00 N ATOM 660 CA ALA A 50 0.082 2.576 7.059 1.00 0.00 C ATOM 661 C ALA A 50 1.061 1.788 7.922 1.00 0.00 C ATOM 662 O ALA A 50 1.119 1.972 9.138 1.00 0.00 O ATOM 663 CB ALA A 50 0.464 4.049 7.035 1.00 0.00 C ATOM 0 H ALA A 50 -1.567 3.097 8.242 1.00 0.00 H new ATOM 0 HA ALA A 50 0.134 2.182 6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.488 4.154 6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.211 4.589 6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.389 4.461 8.041 1.00 0.00 H new ATOM 669 N TYR A 51 1.829 0.911 7.286 1.00 0.00 N ATOM 670 CA TYR A 51 2.804 0.092 7.997 1.00 0.00 C ATOM 671 C TYR A 51 4.157 0.120 7.291 1.00 0.00 C ATOM 672 O TYR A 51 4.233 0.029 6.066 1.00 0.00 O ATOM 673 CB TYR A 51 2.305 -1.350 8.110 1.00 0.00 C ATOM 674 CG TYR A 51 1.430 -1.594 9.319 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.944 -1.491 10.606 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.089 -1.928 9.174 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.148 -1.714 11.713 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.714 -2.151 10.275 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.180 -2.044 11.542 1.00 0.00 C ATOM 680 OH TYR A 51 -0.976 -2.266 12.642 1.00 0.00 O ATOM 0 H TYR A 51 1.796 0.749 6.280 1.00 0.00 H new ATOM 0 HA TYR A 51 2.928 0.506 8.998 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.746 -1.604 7.210 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.163 -2.021 8.152 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.984 -1.232 10.743 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.332 -2.015 8.183 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.563 -1.630 12.706 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.755 -2.408 10.145 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.885 -2.487 12.349 1.00 0.00 H new ATOM 690 N HIS A 52 5.223 0.246 8.075 1.00 0.00 N ATOM 691 CA HIS A 52 6.574 0.284 7.527 1.00 0.00 C ATOM 692 C HIS A 52 6.970 -1.077 6.962 1.00 0.00 C ATOM 693 O HIS A 52 6.359 -2.095 7.286 1.00 0.00 O ATOM 694 CB HIS A 52 7.572 0.713 8.603 1.00 0.00 C ATOM 695 CG HIS A 52 7.369 2.117 9.083 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.871 2.584 10.279 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.716 3.160 8.518 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.534 3.852 10.431 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.833 4.226 9.376 1.00 0.00 N ATOM 0 H HIS A 52 5.177 0.323 9.091 1.00 0.00 H new ATOM 0 HA HIS A 52 6.590 1.013 6.716 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.494 0.033 9.451 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.583 0.615 8.208 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.199 3.155 7.570 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.788 4.477 11.274 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.442 5.156 9.223 1.00 0.00 H new ATOM 707 N ILE A 53 7.995 -1.085 6.117 1.00 0.00 N ATOM 708 CA ILE A 53 8.472 -2.321 5.508 1.00 0.00 C ATOM 709 C ILE A 53 9.388 -3.084 6.459 1.00 0.00 C ATOM 710 O ILE A 53 9.684 -4.260 6.242 1.00 0.00 O ATOM 711 CB ILE A 53 9.229 -2.046 4.195 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.438 -1.146 4.457 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.300 -1.410 3.172 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.706 -1.628 3.788 1.00 0.00 C ATOM 0 H ILE A 53 8.511 -0.250 5.838 1.00 0.00 H new ATOM 0 HA ILE A 53 7.592 -2.926 5.291 1.00 0.00 H new ATOM 0 HB ILE A 53 9.586 -2.994 3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.213 -0.138 4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.606 -1.081 5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.849 -1.222 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.468 -2.084 2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.916 -0.468 3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.522 -0.942 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.955 -2.624 4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.556 -1.666 2.709 1.00 0.00 H new ATOM 726 N TYR A 54 9.832 -2.409 7.513 1.00 0.00 N ATOM 727 CA TYR A 54 10.714 -3.024 8.498 1.00 0.00 C ATOM 728 C TYR A 54 10.036 -3.105 9.862 1.00 0.00 C ATOM 729 O TYR A 54 10.700 -3.133 10.898 1.00 0.00 O ATOM 730 CB TYR A 54 12.018 -2.231 8.610 1.00 0.00 C ATOM 731 CG TYR A 54 11.811 -0.736 8.699 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.519 -0.125 9.912 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.909 0.066 7.568 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.329 1.241 9.996 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.722 1.433 7.644 1.00 0.00 C ATOM 736 CZ TYR A 54 11.432 2.015 8.860 1.00 0.00 C ATOM 737 OH TYR A 54 11.245 3.376 8.940 1.00 0.00 O ATOM 0 H TYR A 54 9.596 -1.436 7.707 1.00 0.00 H new ATOM 0 HA TYR A 54 10.939 -4.037 8.165 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.563 -2.567 9.492 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.643 -2.452 7.745 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.439 -0.728 10.804 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.135 -0.387 6.614 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.101 1.700 10.947 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.803 2.042 6.756 1.00 0.00 H new ATOM 0 HH TYR A 54 11.353 3.774 8.051 1.00 0.00 H new ATOM 747 N CYS A 55 8.708 -3.143 9.853 1.00 0.00 N ATOM 748 CA CYS A 55 7.936 -3.222 11.088 1.00 0.00 C ATOM 749 C CYS A 55 6.811 -4.245 10.962 1.00 0.00 C ATOM 750 O CYS A 55 5.837 -4.209 11.716 1.00 0.00 O ATOM 751 CB CYS A 55 7.357 -1.850 11.440 1.00 0.00 C ATOM 752 SG CYS A 55 8.607 -0.618 11.926 1.00 0.00 S ATOM 0 H CYS A 55 8.143 -3.120 9.004 1.00 0.00 H new ATOM 0 HA CYS A 55 8.606 -3.542 11.886 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.803 -1.470 10.582 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.642 -1.967 12.254 1.00 0.00 H new ATOM 757 N LEU A 56 6.952 -5.156 10.006 1.00 0.00 N ATOM 758 CA LEU A 56 5.947 -6.190 9.781 1.00 0.00 C ATOM 759 C LEU A 56 6.270 -7.446 10.583 1.00 0.00 C ATOM 760 O LEU A 56 7.247 -7.484 11.330 1.00 0.00 O ATOM 761 CB LEU A 56 5.862 -6.530 8.292 1.00 0.00 C ATOM 762 CG LEU A 56 5.069 -5.552 7.424 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.161 -5.944 5.958 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.616 -5.498 7.874 1.00 0.00 C ATOM 0 H LEU A 56 7.752 -5.200 9.374 1.00 0.00 H new ATOM 0 HA LEU A 56 4.984 -5.805 10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.876 -6.596 7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.415 -7.519 8.191 1.00 0.00 H new ATOM 0 HG LEU A 56 5.502 -4.558 7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.591 -5.237 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.204 -5.931 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.754 -6.946 5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.066 -4.797 7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.171 -6.489 7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.569 -5.169 8.912 1.00 0.00 H new ATOM 776 N ASN A 57 5.443 -8.474 10.422 1.00 0.00 N ATOM 777 CA ASN A 57 5.642 -9.733 11.130 1.00 0.00 C ATOM 778 C ASN A 57 5.151 -10.911 10.294 1.00 0.00 C ATOM 779 O ASN A 57 3.967 -11.252 10.290 1.00 0.00 O ATOM 780 CB ASN A 57 4.910 -9.707 12.474 1.00 0.00 C ATOM 781 CG ASN A 57 5.339 -10.839 13.388 1.00 0.00 C ATOM 782 OD1 ASN A 57 6.226 -11.623 13.049 1.00 0.00 O ATOM 783 ND2 ASN A 57 4.710 -10.929 14.554 1.00 0.00 N ATOM 0 H ASN A 57 4.629 -8.460 9.808 1.00 0.00 H new ATOM 0 HA ASN A 57 6.710 -9.857 11.307 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.097 -8.754 12.968 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.836 -9.771 12.301 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.956 -11.670 15.210 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.981 -10.257 14.793 1.00 0.00 H new ATOM 790 N PRO A 58 6.080 -11.550 9.568 1.00 0.00 N ATOM 791 CA PRO A 58 7.491 -11.153 9.564 1.00 0.00 C ATOM 792 C PRO A 58 7.717 -9.819 8.860 1.00 0.00 C ATOM 793 O PRO A 58 6.830 -9.283 8.195 1.00 0.00 O ATOM 794 CB PRO A 58 8.176 -12.286 8.795 1.00 0.00 C ATOM 795 CG PRO A 58 7.108 -12.851 7.923 1.00 0.00 C ATOM 796 CD PRO A 58 5.825 -12.707 8.694 1.00 0.00 C ATOM 0 HA PRO A 58 7.877 -11.010 10.573 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.014 -11.914 8.205 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.574 -13.041 9.473 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.055 -12.317 6.974 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.308 -13.897 7.689 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.976 -12.532 8.033 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.600 -13.604 9.271 1.00 0.00 H new ATOM 804 N PRO A 59 8.931 -9.269 9.007 1.00 0.00 N ATOM 805 CA PRO A 59 9.301 -7.991 8.391 1.00 0.00 C ATOM 806 C PRO A 59 9.423 -8.092 6.875 1.00 0.00 C ATOM 807 O PRO A 59 9.149 -9.140 6.288 1.00 0.00 O ATOM 808 CB PRO A 59 10.662 -7.677 9.017 1.00 0.00 C ATOM 809 CG PRO A 59 11.218 -9.005 9.401 1.00 0.00 C ATOM 810 CD PRO A 59 10.037 -9.853 9.785 1.00 0.00 C ATOM 0 HA PRO A 59 8.548 -7.222 8.565 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.314 -7.164 8.310 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.558 -7.026 9.885 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.767 -9.453 8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.917 -8.910 10.232 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.196 -10.901 9.533 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.842 -9.809 10.856 1.00 0.00 H new ATOM 818 N LEU A 60 9.834 -6.997 6.245 1.00 0.00 N ATOM 819 CA LEU A 60 9.992 -6.962 4.795 1.00 0.00 C ATOM 820 C LEU A 60 11.325 -6.330 4.408 1.00 0.00 C ATOM 821 O LEU A 60 11.594 -5.174 4.735 1.00 0.00 O ATOM 822 CB LEU A 60 8.841 -6.185 4.155 1.00 0.00 C ATOM 823 CG LEU A 60 7.762 -7.025 3.472 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.649 -6.135 2.940 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.364 -7.856 2.348 1.00 0.00 C ATOM 0 H LEU A 60 10.064 -6.122 6.715 1.00 0.00 H new ATOM 0 HA LEU A 60 9.977 -7.988 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.367 -5.577 4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.258 -5.498 3.419 1.00 0.00 H new ATOM 0 HG LEU A 60 7.336 -7.703 4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.890 -6.751 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.198 -5.584 3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.060 -5.432 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.581 -8.447 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.818 -7.195 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.125 -8.522 2.755 1.00 0.00 H new ATOM 837 N ASP A 61 12.156 -7.095 3.707 1.00 0.00 N ATOM 838 CA ASP A 61 13.460 -6.609 3.272 1.00 0.00 C ATOM 839 C ASP A 61 13.322 -5.299 2.502 1.00 0.00 C ATOM 840 O ASP A 61 14.236 -4.473 2.491 1.00 0.00 O ATOM 841 CB ASP A 61 14.154 -7.657 2.401 1.00 0.00 C ATOM 842 CG ASP A 61 15.079 -8.553 3.200 1.00 0.00 C ATOM 843 OD1 ASP A 61 14.605 -9.588 3.713 1.00 0.00 O ATOM 844 OD2 ASP A 61 16.277 -8.220 3.314 1.00 0.00 O ATOM 0 H ASP A 61 11.949 -8.054 3.428 1.00 0.00 H new ATOM 0 HA ASP A 61 14.067 -6.426 4.159 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.401 -8.268 1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.725 -7.155 1.619 1.00 0.00 H new ATOM 849 N LYS A 62 12.175 -5.116 1.857 1.00 0.00 N ATOM 850 CA LYS A 62 11.917 -3.907 1.084 1.00 0.00 C ATOM 851 C LYS A 62 10.432 -3.776 0.759 1.00 0.00 C ATOM 852 O LYS A 62 9.605 -4.532 1.270 1.00 0.00 O ATOM 853 CB LYS A 62 12.734 -3.920 -0.210 1.00 0.00 C ATOM 854 CG LYS A 62 12.319 -5.013 -1.180 1.00 0.00 C ATOM 855 CD LYS A 62 13.008 -4.856 -2.525 1.00 0.00 C ATOM 856 CE LYS A 62 12.153 -5.405 -3.657 1.00 0.00 C ATOM 857 NZ LYS A 62 12.803 -5.219 -4.984 1.00 0.00 N ATOM 0 H LYS A 62 11.409 -5.790 1.854 1.00 0.00 H new ATOM 0 HA LYS A 62 12.216 -3.049 1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.635 -2.952 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.788 -4.046 0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.562 -5.988 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.238 -4.987 -1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.220 -3.802 -2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.966 -5.375 -2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.966 -6.466 -3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.184 -4.907 -3.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.189 -5.606 -5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.958 -4.205 -5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.717 -5.716 -4.996 1.00 0.00 H new ATOM 871 N VAL A 63 10.100 -2.814 -0.096 1.00 0.00 N ATOM 872 CA VAL A 63 8.715 -2.586 -0.491 1.00 0.00 C ATOM 873 C VAL A 63 8.285 -3.567 -1.576 1.00 0.00 C ATOM 874 O VAL A 63 8.999 -3.805 -2.551 1.00 0.00 O ATOM 875 CB VAL A 63 8.507 -1.148 -1.003 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.054 -0.926 -1.395 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.944 -0.140 0.050 1.00 0.00 C ATOM 0 H VAL A 63 10.772 -2.180 -0.529 1.00 0.00 H new ATOM 0 HA VAL A 63 8.103 -2.740 0.398 1.00 0.00 H new ATOM 0 HB VAL A 63 9.124 -1.003 -1.890 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.926 0.095 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.779 -1.626 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.414 -1.088 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.790 0.871 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.355 -0.282 0.956 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.000 -0.286 0.277 1.00 0.00 H new ATOM 887 N PRO A 64 7.090 -4.151 -1.406 1.00 0.00 N ATOM 888 CA PRO A 64 6.536 -5.115 -2.361 1.00 0.00 C ATOM 889 C PRO A 64 6.139 -4.462 -3.680 1.00 0.00 C ATOM 890 O PRO A 64 6.342 -3.264 -3.875 1.00 0.00 O ATOM 891 CB PRO A 64 5.301 -5.660 -1.640 1.00 0.00 C ATOM 892 CG PRO A 64 4.906 -4.577 -0.695 1.00 0.00 C ATOM 893 CD PRO A 64 6.186 -3.914 -0.268 1.00 0.00 C ATOM 0 HA PRO A 64 7.261 -5.883 -2.632 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.499 -5.884 -2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.528 -6.585 -1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.238 -3.863 -1.177 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.372 -4.984 0.164 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.044 -2.849 -0.082 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.576 -4.349 0.652 1.00 0.00 H new ATOM 901 N GLU A 65 5.571 -5.256 -4.581 1.00 0.00 N ATOM 902 CA GLU A 65 5.145 -4.753 -5.882 1.00 0.00 C ATOM 903 C GLU A 65 4.148 -5.707 -6.535 1.00 0.00 C ATOM 904 O GLU A 65 4.025 -5.750 -7.758 1.00 0.00 O ATOM 905 CB GLU A 65 6.354 -4.557 -6.799 1.00 0.00 C ATOM 906 CG GLU A 65 6.267 -3.312 -7.665 1.00 0.00 C ATOM 907 CD GLU A 65 7.194 -3.368 -8.863 1.00 0.00 C ATOM 908 OE1 GLU A 65 7.841 -4.418 -9.063 1.00 0.00 O ATOM 909 OE2 GLU A 65 7.275 -2.363 -9.600 1.00 0.00 O ATOM 0 H GLU A 65 5.395 -6.250 -4.435 1.00 0.00 H new ATOM 0 HA GLU A 65 4.655 -3.792 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.256 -4.503 -6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.456 -5.431 -7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.241 -3.185 -8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.511 -2.437 -7.062 1.00 0.00 H new ATOM 916 N GLU A 66 3.439 -6.469 -5.708 1.00 0.00 N ATOM 917 CA GLU A 66 2.454 -7.422 -6.204 1.00 0.00 C ATOM 918 C GLU A 66 1.130 -6.727 -6.511 1.00 0.00 C ATOM 919 O GLU A 66 1.049 -5.499 -6.513 1.00 0.00 O ATOM 920 CB GLU A 66 2.231 -8.538 -5.182 1.00 0.00 C ATOM 921 CG GLU A 66 3.519 -9.170 -4.680 1.00 0.00 C ATOM 922 CD GLU A 66 4.362 -9.745 -5.801 1.00 0.00 C ATOM 923 OE1 GLU A 66 5.040 -8.959 -6.496 1.00 0.00 O ATOM 924 OE2 GLU A 66 4.344 -10.980 -5.984 1.00 0.00 O ATOM 0 H GLU A 66 3.529 -6.445 -4.692 1.00 0.00 H new ATOM 0 HA GLU A 66 2.840 -7.856 -7.127 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.678 -8.136 -4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.608 -9.311 -5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.100 -8.422 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.278 -9.961 -3.969 1.00 0.00 H new ATOM 931 N GLU A 67 0.097 -7.523 -6.771 1.00 0.00 N ATOM 932 CA GLU A 67 -1.222 -6.984 -7.081 1.00 0.00 C ATOM 933 C GLU A 67 -1.664 -5.982 -6.018 1.00 0.00 C ATOM 934 O GLU A 67 -2.088 -4.870 -6.335 1.00 0.00 O ATOM 935 CB GLU A 67 -2.247 -8.115 -7.189 1.00 0.00 C ATOM 936 CG GLU A 67 -2.527 -8.548 -8.618 1.00 0.00 C ATOM 937 CD GLU A 67 -2.092 -9.975 -8.891 1.00 0.00 C ATOM 938 OE1 GLU A 67 -0.898 -10.185 -9.188 1.00 0.00 O ATOM 939 OE2 GLU A 67 -2.947 -10.881 -8.808 1.00 0.00 O ATOM 0 H GLU A 67 0.148 -8.542 -6.773 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.159 -6.467 -8.039 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.889 -8.974 -6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.180 -7.794 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.594 -8.452 -8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.011 -7.877 -9.305 1.00 0.00 H new ATOM 946 N TYR A 68 -1.562 -6.384 -4.756 1.00 0.00 N ATOM 947 CA TYR A 68 -1.953 -5.523 -3.646 1.00 0.00 C ATOM 948 C TYR A 68 -1.227 -5.922 -2.365 1.00 0.00 C ATOM 949 O TYR A 68 -0.557 -6.954 -2.314 1.00 0.00 O ATOM 950 CB TYR A 68 -3.466 -5.591 -3.430 1.00 0.00 C ATOM 951 CG TYR A 68 -4.220 -4.441 -4.059 1.00 0.00 C ATOM 952 CD1 TYR A 68 -4.227 -3.183 -3.469 1.00 0.00 C ATOM 953 CD2 TYR A 68 -4.924 -4.613 -5.244 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.915 -2.131 -4.041 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.614 -3.566 -5.824 1.00 0.00 C ATOM 956 CZ TYR A 68 -5.607 -2.327 -5.218 1.00 0.00 C ATOM 957 OH TYR A 68 -6.292 -1.280 -5.791 1.00 0.00 O ATOM 0 H TYR A 68 -1.212 -7.300 -4.476 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.673 -4.500 -3.897 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.841 -6.528 -3.841 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.671 -5.607 -2.360 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.686 -3.025 -2.548 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.932 -5.582 -5.720 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.911 -1.160 -3.569 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.156 -3.717 -6.746 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.725 -1.585 -6.616 1.00 0.00 H new ATOM 967 N TRP A 69 -1.365 -5.098 -1.334 1.00 0.00 N ATOM 968 CA TRP A 69 -0.723 -5.363 -0.051 1.00 0.00 C ATOM 969 C TRP A 69 -1.722 -5.243 1.094 1.00 0.00 C ATOM 970 O TRP A 69 -2.356 -4.203 1.270 1.00 0.00 O ATOM 971 CB TRP A 69 0.442 -4.397 0.169 1.00 0.00 C ATOM 972 CG TRP A 69 1.170 -4.627 1.459 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.283 -5.396 1.645 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.833 -4.087 2.741 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.659 -5.365 2.967 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.786 -4.569 3.659 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.179 -3.242 3.203 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.754 -4.233 5.010 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.210 -2.910 4.544 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.752 -3.404 5.435 1.00 0.00 C ATOM 0 H TRP A 69 -1.916 -4.240 -1.360 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.341 -6.384 -0.069 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.145 -4.493 -0.658 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.065 -3.374 0.150 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.793 -5.947 0.868 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.459 -5.855 3.367 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.924 -2.855 2.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.494 -4.613 5.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.989 -2.259 4.912 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.702 -3.125 6.477 1.00 0.00 H new ATOM 991 N TYR A 70 -1.859 -6.314 1.869 1.00 0.00 N ATOM 992 CA TYR A 70 -2.784 -6.328 2.996 1.00 0.00 C ATOM 993 C TYR A 70 -2.035 -6.513 4.312 1.00 0.00 C ATOM 994 O TYR A 70 -1.268 -7.462 4.476 1.00 0.00 O ATOM 995 CB TYR A 70 -3.815 -7.444 2.821 1.00 0.00 C ATOM 996 CG TYR A 70 -4.827 -7.169 1.732 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.530 -7.426 0.400 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.080 -6.650 2.035 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.451 -7.176 -0.599 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.008 -6.398 1.043 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.688 -6.662 -0.272 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.609 -6.411 -1.264 1.00 0.00 O ATOM 0 H TYR A 70 -1.341 -7.183 1.737 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.299 -5.368 3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.295 -8.375 2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.340 -7.593 3.764 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.562 -7.828 0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.333 -6.440 3.064 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.204 -7.382 -1.630 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.978 -5.997 1.296 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.429 -6.052 -0.866 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.265 -5.599 5.249 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.615 -5.659 6.552 1.00 0.00 C ATOM 1014 C CYS A 71 -1.793 -7.036 7.186 1.00 0.00 C ATOM 1015 O CYS A 71 -2.737 -7.767 6.887 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.182 -4.582 7.479 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.831 -4.970 8.148 1.00 0.00 S ATOM 0 H CYS A 71 -2.897 -4.808 5.130 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.550 -5.480 6.407 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.491 -4.431 8.309 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.235 -3.640 6.934 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.864 -7.398 8.083 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.896 -8.688 8.779 1.00 0.00 C ATOM 1024 C PRO A 72 -2.041 -8.777 9.782 1.00 0.00 C ATOM 1025 O PRO A 72 -2.325 -9.847 10.321 1.00 0.00 O ATOM 1026 CB PRO A 72 0.453 -8.736 9.501 1.00 0.00 C ATOM 1027 CG PRO A 72 0.836 -7.308 9.683 1.00 0.00 C ATOM 1028 CD PRO A 72 0.290 -6.577 8.488 1.00 0.00 C ATOM 0 HA PRO A 72 -1.056 -9.518 8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.371 -9.249 10.459 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.197 -9.274 8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.421 -6.908 10.608 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.919 -7.199 9.746 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.010 -5.560 8.742 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.029 -6.502 7.691 1.00 0.00 H new ATOM 1036 N SER A 73 -2.695 -7.647 10.029 1.00 0.00 N ATOM 1037 CA SER A 73 -3.807 -7.596 10.970 1.00 0.00 C ATOM 1038 C SER A 73 -5.121 -7.947 10.278 1.00 0.00 C ATOM 1039 O SER A 73 -6.119 -8.251 10.933 1.00 0.00 O ATOM 1040 CB SER A 73 -3.906 -6.207 11.603 1.00 0.00 C ATOM 1041 OG SER A 73 -2.636 -5.579 11.655 1.00 0.00 O ATOM 0 H SER A 73 -2.474 -6.753 9.590 1.00 0.00 H new ATOM 0 HA SER A 73 -3.621 -8.331 11.753 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.597 -5.590 11.028 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.315 -6.291 12.610 1.00 0.00 H new ATOM 0 HG SER A 73 -2.726 -4.692 12.062 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.114 -7.902 8.950 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.303 -8.214 8.167 1.00 0.00 C ATOM 1049 C CYS A 74 -6.192 -9.599 7.538 1.00 0.00 C ATOM 1050 O CYS A 74 -7.100 -10.423 7.658 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.511 -7.161 7.076 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.369 -5.659 7.647 1.00 0.00 S ATOM 0 H CYS A 74 -4.297 -7.652 8.393 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.162 -8.207 8.838 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.540 -6.879 6.668 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.082 -7.605 6.261 1.00 0.00 H new ATOM 1057 N LYS A 75 -5.074 -9.850 6.867 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.842 -11.136 6.219 1.00 0.00 C ATOM 1059 C LYS A 75 -5.072 -12.286 7.195 1.00 0.00 C ATOM 1060 O LYS A 75 -4.292 -12.490 8.126 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.417 -11.201 5.665 1.00 0.00 C ATOM 1062 CG LYS A 75 -3.021 -12.580 5.165 1.00 0.00 C ATOM 1063 CD LYS A 75 -2.061 -13.265 6.123 1.00 0.00 C ATOM 1064 CE LYS A 75 -1.156 -14.249 5.396 1.00 0.00 C ATOM 1065 NZ LYS A 75 0.073 -14.554 6.179 1.00 0.00 N ATOM 0 H LYS A 75 -4.313 -9.180 6.757 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.550 -11.233 5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.321 -10.486 4.848 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.719 -10.892 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.913 -13.194 5.042 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.556 -12.493 4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.453 -12.515 6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.626 -13.790 6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.703 -15.172 5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.876 -13.837 4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.663 -15.228 5.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.608 -13.677 6.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.193 -14.971 7.094 1.00 0.00 H new ATOM 1079 N THR A 76 -6.147 -13.037 6.974 1.00 0.00 N ATOM 1080 CA THR A 76 -6.479 -14.166 7.833 1.00 0.00 C ATOM 1081 C THR A 76 -6.990 -15.347 7.016 1.00 0.00 C ATOM 1082 O THR A 76 -7.740 -16.184 7.519 1.00 0.00 O ATOM 1083 CB THR A 76 -7.542 -13.782 8.880 1.00 0.00 C ATOM 1084 OG1 THR A 76 -7.734 -14.862 9.801 1.00 0.00 O ATOM 1085 CG2 THR A 76 -8.863 -13.440 8.209 1.00 0.00 C ATOM 0 H THR A 76 -6.802 -12.883 6.207 1.00 0.00 H new ATOM 0 HA THR A 76 -5.561 -14.453 8.346 1.00 0.00 H new ATOM 0 HB THR A 76 -7.189 -12.903 9.419 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.899 -15.690 9.304 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.598 -13.172 8.968 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.719 -12.599 7.530 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.220 -14.303 7.647 1.00 0.00 H new ATOM 1093 N ASP A 77 -6.580 -15.409 5.754 1.00 0.00 N ATOM 1094 CA ASP A 77 -6.996 -16.489 4.867 1.00 0.00 C ATOM 1095 C ASP A 77 -6.660 -17.848 5.472 1.00 0.00 C ATOM 1096 O ASP A 77 -7.472 -18.767 5.375 1.00 0.00 O ATOM 1097 CB ASP A 77 -6.322 -16.344 3.501 1.00 0.00 C ATOM 1098 CG ASP A 77 -4.809 -16.328 3.601 1.00 0.00 C ATOM 1099 OD1 ASP A 77 -4.208 -17.421 3.659 1.00 0.00 O ATOM 1100 OD2 ASP A 77 -4.227 -15.223 3.622 1.00 0.00 O ATOM 0 H ASP A 77 -5.960 -14.724 5.322 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.077 -16.425 4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.632 -17.167 2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.662 -15.423 3.027 1.00 0.00 H new TER 1105 ASP A 77 HETATM 1106 ZN ZN A 201 7.461 1.423 11.921 1.00 0.00 ZN HETATM 1107 ZN ZN A 401 -5.674 -4.063 7.255 1.00 0.00 ZN HETATM 1108 ZN ZN A 601 -4.779 9.789 12.445 1.00 0.00 ZN