USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 572 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 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 42 TYR OH : rot -151:sc=0.000236 USER MOD Set 1.2: A 56 HIS : no HD1:sc= -6.11! C(o=-6.1!,f=-5.6!) 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 USER MOD Single : A 5 SER OG : rot -36:sc= 0.94 USER MOD Single : A 6 SER OG : rot 47:sc= 0.0869 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.175 X(o=-0.17,f=-0.3) USER MOD Single : A 13 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.22) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 164:sc= -2.91 (180deg=-3.08) USER MOD Single : A 23 THR OG1 : rot -72:sc= -0.179 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HE2:sc= -3.7! K(o=-3.7!,f=-4.6) USER MOD Single : A 45 THR OG1 : rot 78:sc= 0.839 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.874 K(o=-0.87,f=-5!) USER MOD Single : A 64 TYR OH : rot 30:sc= -0.956 USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= -0.0119 (180deg=-0.193) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 13:sc= 0.0972! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.934 13.894 1.323 1.00 0.00 N ATOM 2 CA GLY A 1 -12.263 12.513 1.023 1.00 0.00 C ATOM 3 C GLY A 1 -13.756 12.251 1.064 1.00 0.00 C ATOM 4 O GLY A 1 -14.331 12.067 2.136 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.903 14.022 1.282 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.388 14.518 0.626 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.275 14.133 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.879 12.258 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.763 11.860 1.738 1.00 0.00 H new ATOM 8 N SER A 2 -14.384 12.235 -0.107 1.00 0.00 N ATOM 9 CA SER A 2 -15.820 11.999 -0.200 1.00 0.00 C ATOM 10 C SER A 2 -16.131 10.507 -0.138 1.00 0.00 C ATOM 11 O SER A 2 -15.389 9.684 -0.673 1.00 0.00 O ATOM 12 CB SER A 2 -16.373 12.593 -1.498 1.00 0.00 C ATOM 13 OG SER A 2 -16.041 13.966 -1.613 1.00 0.00 O ATOM 0 H SER A 2 -13.922 12.383 -1.004 1.00 0.00 H new ATOM 0 HA SER A 2 -16.299 12.488 0.648 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.972 12.046 -2.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.456 12.474 -1.523 1.00 0.00 H new ATOM 0 HG SER A 2 -16.404 14.321 -2.451 1.00 0.00 H new ATOM 19 N SER A 3 -17.235 10.166 0.520 1.00 0.00 N ATOM 20 CA SER A 3 -17.643 8.773 0.657 1.00 0.00 C ATOM 21 C SER A 3 -19.146 8.623 0.440 1.00 0.00 C ATOM 22 O SER A 3 -19.893 9.598 0.504 1.00 0.00 O ATOM 23 CB SER A 3 -17.261 8.241 2.040 1.00 0.00 C ATOM 24 OG SER A 3 -17.361 6.828 2.089 1.00 0.00 O ATOM 0 H SER A 3 -17.862 10.835 0.966 1.00 0.00 H new ATOM 0 HA SER A 3 -17.123 8.192 -0.105 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.242 8.545 2.281 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.912 8.681 2.795 1.00 0.00 H new ATOM 0 HG SER A 3 -17.110 6.513 2.982 1.00 0.00 H new ATOM 30 N GLY A 4 -19.581 7.394 0.183 1.00 0.00 N ATOM 31 CA GLY A 4 -20.992 7.137 -0.040 1.00 0.00 C ATOM 32 C GLY A 4 -21.394 5.728 0.348 1.00 0.00 C ATOM 33 O GLY A 4 -21.322 5.356 1.519 1.00 0.00 O ATOM 0 H GLY A 4 -18.981 6.571 0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.583 7.851 0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.226 7.302 -1.092 1.00 0.00 H new ATOM 37 N SER A 5 -21.819 4.943 -0.636 1.00 0.00 N ATOM 38 CA SER A 5 -22.240 3.569 -0.391 1.00 0.00 C ATOM 39 C SER A 5 -23.275 3.509 0.728 1.00 0.00 C ATOM 40 O SER A 5 -23.249 2.607 1.565 1.00 0.00 O ATOM 41 CB SER A 5 -21.033 2.700 -0.031 1.00 0.00 C ATOM 42 OG SER A 5 -20.677 2.860 1.331 1.00 0.00 O ATOM 0 H SER A 5 -21.881 5.235 -1.611 1.00 0.00 H new ATOM 0 HA SER A 5 -22.695 3.186 -1.305 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.263 1.653 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.187 2.966 -0.665 1.00 0.00 H new ATOM 0 HG SER A 5 -20.823 3.791 1.600 1.00 0.00 H new ATOM 48 N SER A 6 -24.186 4.478 0.736 1.00 0.00 N ATOM 49 CA SER A 6 -25.228 4.539 1.754 1.00 0.00 C ATOM 50 C SER A 6 -26.611 4.398 1.125 1.00 0.00 C ATOM 51 O SER A 6 -26.912 5.029 0.112 1.00 0.00 O ATOM 52 CB SER A 6 -25.139 5.856 2.527 1.00 0.00 C ATOM 53 OG SER A 6 -23.826 6.074 3.014 1.00 0.00 O ATOM 0 H SER A 6 -24.223 5.231 0.049 1.00 0.00 H new ATOM 0 HA SER A 6 -25.076 3.710 2.445 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.432 6.682 1.879 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.841 5.840 3.360 1.00 0.00 H new ATOM 0 HG SER A 6 -23.179 5.909 2.296 1.00 0.00 H new ATOM 59 N GLY A 7 -27.449 3.564 1.733 1.00 0.00 N ATOM 60 CA GLY A 7 -28.790 3.354 1.219 1.00 0.00 C ATOM 61 C GLY A 7 -29.536 2.271 1.973 1.00 0.00 C ATOM 62 O GLY A 7 -28.960 1.244 2.330 1.00 0.00 O ATOM 0 H GLY A 7 -27.223 3.030 2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -29.350 4.287 1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.734 3.085 0.164 1.00 0.00 H new ATOM 66 N SER A 8 -30.822 2.502 2.217 1.00 0.00 N ATOM 67 CA SER A 8 -31.648 1.540 2.939 1.00 0.00 C ATOM 68 C SER A 8 -31.674 0.197 2.216 1.00 0.00 C ATOM 69 O SER A 8 -31.491 -0.854 2.831 1.00 0.00 O ATOM 70 CB SER A 8 -33.073 2.076 3.095 1.00 0.00 C ATOM 71 OG SER A 8 -33.611 2.465 1.843 1.00 0.00 O ATOM 0 H SER A 8 -31.315 3.346 1.926 1.00 0.00 H new ATOM 0 HA SER A 8 -31.212 1.393 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 8 -33.706 1.311 3.544 1.00 0.00 H new ATOM 0 HB3 SER A 8 -33.072 2.928 3.775 1.00 0.00 H new ATOM 0 HG SER A 8 -34.522 2.802 1.969 1.00 0.00 H new ATOM 77 N ILE A 9 -31.902 0.240 0.908 1.00 0.00 N ATOM 78 CA ILE A 9 -31.951 -0.973 0.101 1.00 0.00 C ATOM 79 C ILE A 9 -31.089 -0.837 -1.149 1.00 0.00 C ATOM 80 O ILE A 9 -31.336 0.021 -1.996 1.00 0.00 O ATOM 81 CB ILE A 9 -33.394 -1.313 -0.318 1.00 0.00 C ATOM 82 CG1 ILE A 9 -33.405 -2.526 -1.251 1.00 0.00 C ATOM 83 CG2 ILE A 9 -34.046 -0.114 -0.990 1.00 0.00 C ATOM 84 CD1 ILE A 9 -34.704 -3.299 -1.220 1.00 0.00 C ATOM 0 H ILE A 9 -32.056 1.102 0.384 1.00 0.00 H new ATOM 0 HA ILE A 9 -31.562 -1.780 0.721 1.00 0.00 H new ATOM 0 HB ILE A 9 -33.968 -1.561 0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -33.215 -2.192 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -32.588 -3.193 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -35.065 -0.369 -1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -34.066 0.726 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -33.474 0.162 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -34.641 -4.145 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -34.886 -3.664 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -35.523 -2.647 -1.524 1.00 0.00 H new ATOM 96 N GLY A 10 -30.076 -1.691 -1.259 1.00 0.00 N ATOM 97 CA GLY A 10 -29.194 -1.650 -2.411 1.00 0.00 C ATOM 98 C GLY A 10 -27.812 -2.193 -2.102 1.00 0.00 C ATOM 99 O GLY A 10 -26.927 -1.450 -1.681 1.00 0.00 O ATOM 0 H GLY A 10 -29.850 -2.410 -0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -29.635 -2.228 -3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -29.107 -0.622 -2.762 1.00 0.00 H new ATOM 103 N ASN A 11 -27.628 -3.493 -2.310 1.00 0.00 N ATOM 104 CA ASN A 11 -26.345 -4.134 -2.048 1.00 0.00 C ATOM 105 C ASN A 11 -26.000 -5.130 -3.151 1.00 0.00 C ATOM 106 O ASN A 11 -26.864 -5.859 -3.636 1.00 0.00 O ATOM 107 CB ASN A 11 -26.374 -4.846 -0.694 1.00 0.00 C ATOM 108 CG ASN A 11 -26.978 -6.234 -0.784 1.00 0.00 C ATOM 109 OD1 ASN A 11 -26.285 -7.206 -1.087 1.00 0.00 O ATOM 110 ND2 ASN A 11 -28.275 -6.333 -0.519 1.00 0.00 N ATOM 0 H ASN A 11 -28.351 -4.122 -2.659 1.00 0.00 H new ATOM 0 HA ASN A 11 -25.578 -3.360 -2.028 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -25.359 -4.919 -0.303 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -26.947 -4.249 0.015 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -28.736 -7.242 -0.562 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -28.810 -5.500 -0.272 1.00 0.00 H new ATOM 117 N ALA A 12 -24.730 -5.154 -3.543 1.00 0.00 N ATOM 118 CA ALA A 12 -24.269 -6.061 -4.586 1.00 0.00 C ATOM 119 C ALA A 12 -24.226 -7.500 -4.083 1.00 0.00 C ATOM 120 O ALA A 12 -24.294 -7.748 -2.880 1.00 0.00 O ATOM 121 CB ALA A 12 -22.898 -5.635 -5.089 1.00 0.00 C ATOM 0 H ALA A 12 -24.002 -4.555 -3.153 1.00 0.00 H new ATOM 0 HA ALA A 12 -24.978 -6.013 -5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -22.567 -6.322 -5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -22.957 -4.626 -5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -22.186 -5.652 -4.264 1.00 0.00 H new ATOM 127 N GLN A 13 -24.114 -8.444 -5.012 1.00 0.00 N ATOM 128 CA GLN A 13 -24.063 -9.859 -4.661 1.00 0.00 C ATOM 129 C GLN A 13 -22.713 -10.220 -4.050 1.00 0.00 C ATOM 130 O GLN A 13 -22.634 -10.631 -2.892 1.00 0.00 O ATOM 131 CB GLN A 13 -24.324 -10.722 -5.897 1.00 0.00 C ATOM 132 CG GLN A 13 -25.727 -10.568 -6.461 1.00 0.00 C ATOM 133 CD GLN A 13 -26.802 -10.740 -5.405 1.00 0.00 C ATOM 134 OE1 GLN A 13 -27.056 -11.849 -4.935 1.00 0.00 O ATOM 135 NE2 GLN A 13 -27.441 -9.639 -5.027 1.00 0.00 N ATOM 0 H GLN A 13 -24.057 -8.255 -6.013 1.00 0.00 H new ATOM 0 HA GLN A 13 -24.839 -10.052 -3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -23.600 -10.463 -6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -24.157 -11.768 -5.641 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -25.825 -9.583 -6.917 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -25.879 -11.302 -7.252 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -27.198 -8.740 -5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -28.175 -9.692 -4.321 1.00 0.00 H new ATOM 144 N LYS A 14 -21.653 -10.064 -4.835 1.00 0.00 N ATOM 145 CA LYS A 14 -20.305 -10.372 -4.372 1.00 0.00 C ATOM 146 C LYS A 14 -19.393 -9.158 -4.506 1.00 0.00 C ATOM 147 O LYS A 14 -19.417 -8.459 -5.521 1.00 0.00 O ATOM 148 CB LYS A 14 -19.728 -11.547 -5.165 1.00 0.00 C ATOM 149 CG LYS A 14 -20.037 -12.903 -4.554 1.00 0.00 C ATOM 150 CD LYS A 14 -21.422 -13.389 -4.947 1.00 0.00 C ATOM 151 CE LYS A 14 -22.014 -14.304 -3.886 1.00 0.00 C ATOM 152 NZ LYS A 14 -23.314 -14.888 -4.319 1.00 0.00 N ATOM 0 H LYS A 14 -21.701 -9.726 -5.796 1.00 0.00 H new ATOM 0 HA LYS A 14 -20.363 -10.646 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -20.122 -11.517 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -18.647 -11.429 -5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -19.290 -13.628 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -19.968 -12.838 -3.468 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.080 -12.533 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -21.366 -13.920 -5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -21.311 -15.107 -3.666 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.157 -13.744 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -23.684 -15.505 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -23.993 -14.123 -4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -23.173 -15.444 -5.186 1.00 0.00 H new ATOM 166 N LEU A 15 -18.588 -8.912 -3.478 1.00 0.00 N ATOM 167 CA LEU A 15 -17.665 -7.782 -3.482 1.00 0.00 C ATOM 168 C LEU A 15 -16.376 -8.129 -2.745 1.00 0.00 C ATOM 169 O LEU A 15 -16.378 -8.843 -1.742 1.00 0.00 O ATOM 170 CB LEU A 15 -18.321 -6.560 -2.837 1.00 0.00 C ATOM 171 CG LEU A 15 -19.702 -6.179 -3.371 1.00 0.00 C ATOM 172 CD1 LEU A 15 -20.469 -5.367 -2.339 1.00 0.00 C ATOM 173 CD2 LEU A 15 -19.575 -5.405 -4.675 1.00 0.00 C ATOM 0 H LEU A 15 -18.556 -9.480 -2.631 1.00 0.00 H new ATOM 0 HA LEU A 15 -17.418 -7.550 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.405 -6.741 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -17.656 -5.706 -2.965 1.00 0.00 H new ATOM 0 HG LEU A 15 -20.259 -7.095 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -21.449 -5.105 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -20.592 -5.957 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -19.916 -4.456 -2.108 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -20.568 -5.142 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -18.999 -4.496 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -19.067 -6.022 -5.416 1.00 0.00 H new ATOM 185 N PRO A 16 -15.246 -7.612 -3.252 1.00 0.00 N ATOM 186 CA PRO A 16 -13.929 -7.852 -2.656 1.00 0.00 C ATOM 187 C PRO A 16 -13.763 -7.149 -1.313 1.00 0.00 C ATOM 188 O PRO A 16 -13.392 -5.977 -1.257 1.00 0.00 O ATOM 189 CB PRO A 16 -12.961 -7.267 -3.688 1.00 0.00 C ATOM 190 CG PRO A 16 -13.757 -6.238 -4.413 1.00 0.00 C ATOM 191 CD PRO A 16 -15.169 -6.754 -4.446 1.00 0.00 C ATOM 0 HA PRO A 16 -13.764 -8.909 -2.446 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.088 -6.826 -3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -12.595 -8.036 -4.368 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.705 -5.275 -3.905 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.373 -6.087 -5.422 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.895 -5.942 -4.405 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.371 -7.316 -5.358 1.00 0.00 H new ATOM 199 N MET A 17 -14.042 -7.873 -0.234 1.00 0.00 N ATOM 200 CA MET A 17 -13.922 -7.318 1.110 1.00 0.00 C ATOM 201 C MET A 17 -12.536 -6.721 1.329 1.00 0.00 C ATOM 202 O MET A 17 -11.521 -7.373 1.081 1.00 0.00 O ATOM 203 CB MET A 17 -14.196 -8.399 2.157 1.00 0.00 C ATOM 204 CG MET A 17 -15.666 -8.531 2.524 1.00 0.00 C ATOM 205 SD MET A 17 -15.937 -9.645 3.915 1.00 0.00 S ATOM 206 CE MET A 17 -17.034 -8.658 4.930 1.00 0.00 C ATOM 0 H MET A 17 -14.352 -8.844 -0.264 1.00 0.00 H new ATOM 0 HA MET A 17 -14.661 -6.524 1.216 1.00 0.00 H new ATOM 0 HB2 MET A 17 -13.836 -9.357 1.781 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.624 -8.175 3.057 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.065 -7.547 2.769 1.00 0.00 H new ATOM 0 HG3 MET A 17 -16.221 -8.894 1.659 1.00 0.00 H new ATOM 0 HE1 MET A 17 -17.293 -9.213 5.832 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.536 -7.729 5.206 1.00 0.00 H new ATOM 0 HE3 MET A 17 -17.941 -8.431 4.370 1.00 0.00 H new ATOM 216 N CYS A 18 -12.499 -5.477 1.796 1.00 0.00 N ATOM 217 CA CYS A 18 -11.238 -4.791 2.048 1.00 0.00 C ATOM 218 C CYS A 18 -10.324 -5.639 2.928 1.00 0.00 C ATOM 219 O CYS A 18 -10.784 -6.532 3.639 1.00 0.00 O ATOM 220 CB CYS A 18 -11.494 -3.438 2.715 1.00 0.00 C ATOM 221 SG CYS A 18 -9.995 -2.431 2.955 1.00 0.00 S ATOM 0 H CYS A 18 -13.329 -4.923 2.008 1.00 0.00 H new ATOM 0 HA CYS A 18 -10.743 -4.629 1.090 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -12.204 -2.875 2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.965 -3.606 3.684 1.00 0.00 H new ATOM 226 N ASP A 19 -9.028 -5.352 2.874 1.00 0.00 N ATOM 227 CA ASP A 19 -8.049 -6.087 3.667 1.00 0.00 C ATOM 228 C ASP A 19 -7.683 -5.315 4.930 1.00 0.00 C ATOM 229 O ASP A 19 -7.574 -5.890 6.013 1.00 0.00 O ATOM 230 CB ASP A 19 -6.793 -6.360 2.839 1.00 0.00 C ATOM 231 CG ASP A 19 -5.860 -7.349 3.511 1.00 0.00 C ATOM 232 OD1 ASP A 19 -6.348 -8.176 4.309 1.00 0.00 O ATOM 233 OD2 ASP A 19 -4.642 -7.295 3.239 1.00 0.00 O ATOM 0 H ASP A 19 -8.631 -4.616 2.290 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.495 -7.037 3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.083 -6.745 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.263 -5.423 2.669 1.00 0.00 H new ATOM 238 N LYS A 20 -7.491 -4.008 4.784 1.00 0.00 N ATOM 239 CA LYS A 20 -7.137 -3.155 5.912 1.00 0.00 C ATOM 240 C LYS A 20 -8.223 -3.191 6.983 1.00 0.00 C ATOM 241 O LYS A 20 -7.973 -3.589 8.121 1.00 0.00 O ATOM 242 CB LYS A 20 -6.918 -1.716 5.441 1.00 0.00 C ATOM 243 CG LYS A 20 -6.159 -0.858 6.439 1.00 0.00 C ATOM 244 CD LYS A 20 -5.266 0.153 5.739 1.00 0.00 C ATOM 245 CE LYS A 20 -4.671 1.147 6.725 1.00 0.00 C ATOM 246 NZ LYS A 20 -3.301 1.572 6.326 1.00 0.00 N ATOM 0 H LYS A 20 -7.575 -3.516 3.894 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.211 -3.534 6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.372 -1.730 4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.886 -1.256 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.866 -0.336 7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.553 -1.496 7.082 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.464 -0.368 5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.842 0.688 4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.317 2.022 6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.637 0.698 7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.038 2.431 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.625 0.812 6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.282 1.770 5.305 1.00 0.00 H new ATOM 260 N CYS A 21 -9.428 -2.773 6.611 1.00 0.00 N ATOM 261 CA CYS A 21 -10.552 -2.758 7.539 1.00 0.00 C ATOM 262 C CYS A 21 -11.312 -4.081 7.495 1.00 0.00 C ATOM 263 O CYS A 21 -11.451 -4.763 8.510 1.00 0.00 O ATOM 264 CB CYS A 21 -11.499 -1.603 7.207 1.00 0.00 C ATOM 265 SG CYS A 21 -11.794 -1.372 5.424 1.00 0.00 S ATOM 0 H CYS A 21 -9.651 -2.440 5.673 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.158 -2.619 8.546 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.454 -1.776 7.703 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.089 -0.681 7.619 1.00 0.00 H new ATOM 270 N GLY A 22 -11.801 -4.438 6.311 1.00 0.00 N ATOM 271 CA GLY A 22 -12.540 -5.677 6.157 1.00 0.00 C ATOM 272 C GLY A 22 -14.015 -5.444 5.895 1.00 0.00 C ATOM 273 O GLY A 22 -14.869 -5.915 6.646 1.00 0.00 O ATOM 0 H GLY A 22 -11.698 -3.891 5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.114 -6.250 5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.425 -6.279 7.058 1.00 0.00 H new ATOM 277 N THR A 23 -14.316 -4.714 4.826 1.00 0.00 N ATOM 278 CA THR A 23 -15.697 -4.416 4.468 1.00 0.00 C ATOM 279 C THR A 23 -15.918 -4.556 2.966 1.00 0.00 C ATOM 280 O THR A 23 -15.049 -4.213 2.166 1.00 0.00 O ATOM 281 CB THR A 23 -16.097 -2.994 4.905 1.00 0.00 C ATOM 282 OG1 THR A 23 -15.130 -2.048 4.437 1.00 0.00 O ATOM 283 CG2 THR A 23 -16.211 -2.905 6.419 1.00 0.00 C ATOM 0 H THR A 23 -13.621 -4.318 4.193 1.00 0.00 H new ATOM 0 HA THR A 23 -16.322 -5.138 4.993 1.00 0.00 H new ATOM 0 HB THR A 23 -17.070 -2.764 4.470 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.301 -2.146 4.951 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.494 -1.892 6.704 1.00 0.00 H new ATOM 0 HG22 THR A 23 -16.969 -3.606 6.769 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.251 -3.154 6.871 1.00 0.00 H new ATOM 291 N GLY A 24 -17.089 -5.061 2.589 1.00 0.00 N ATOM 292 CA GLY A 24 -17.403 -5.236 1.183 1.00 0.00 C ATOM 293 C GLY A 24 -17.158 -3.978 0.373 1.00 0.00 C ATOM 294 O GLY A 24 -17.877 -2.989 0.519 1.00 0.00 O ATOM 0 H GLY A 24 -17.825 -5.352 3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.800 -6.049 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -18.447 -5.532 1.081 1.00 0.00 H new ATOM 298 N ILE A 25 -16.141 -4.015 -0.480 1.00 0.00 N ATOM 299 CA ILE A 25 -15.803 -2.869 -1.315 1.00 0.00 C ATOM 300 C ILE A 25 -16.893 -2.601 -2.348 1.00 0.00 C ATOM 301 O ILE A 25 -17.490 -3.530 -2.892 1.00 0.00 O ATOM 302 CB ILE A 25 -14.462 -3.078 -2.043 1.00 0.00 C ATOM 303 CG1 ILE A 25 -13.319 -3.183 -1.031 1.00 0.00 C ATOM 304 CG2 ILE A 25 -14.207 -1.941 -3.021 1.00 0.00 C ATOM 305 CD1 ILE A 25 -12.017 -3.657 -1.638 1.00 0.00 C ATOM 0 H ILE A 25 -15.536 -4.826 -0.611 1.00 0.00 H new ATOM 0 HA ILE A 25 -15.716 -2.009 -0.650 1.00 0.00 H new ATOM 0 HB ILE A 25 -14.512 -4.010 -2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -13.162 -2.208 -0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.611 -3.869 -0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.256 -2.103 -3.528 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -15.009 -1.908 -3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.173 -0.996 -2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.252 -3.708 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.158 -4.646 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.702 -2.959 -2.414 1.00 0.00 H new ATOM 317 N VAL A 26 -17.146 -1.323 -2.615 1.00 0.00 N ATOM 318 CA VAL A 26 -18.161 -0.932 -3.585 1.00 0.00 C ATOM 319 C VAL A 26 -17.659 0.191 -4.485 1.00 0.00 C ATOM 320 O VAL A 26 -17.154 1.206 -4.005 1.00 0.00 O ATOM 321 CB VAL A 26 -19.457 -0.476 -2.888 1.00 0.00 C ATOM 322 CG1 VAL A 26 -19.174 0.672 -1.932 1.00 0.00 C ATOM 323 CG2 VAL A 26 -20.504 -0.078 -3.918 1.00 0.00 C ATOM 0 H VAL A 26 -16.662 -0.542 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.373 -1.812 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 26 -19.850 -1.311 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -20.101 0.980 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -18.461 0.347 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -18.757 1.513 -2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -21.413 0.241 -3.408 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -20.122 0.742 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -20.728 -0.932 -4.558 1.00 0.00 H new ATOM 333 N GLY A 27 -17.801 0.004 -5.793 1.00 0.00 N ATOM 334 CA GLY A 27 -17.357 1.010 -6.740 1.00 0.00 C ATOM 335 C GLY A 27 -15.859 0.969 -6.970 1.00 0.00 C ATOM 336 O GLY A 27 -15.276 -0.105 -7.119 1.00 0.00 O ATOM 0 H GLY A 27 -18.216 -0.827 -6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -17.871 0.863 -7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -17.638 1.998 -6.375 1.00 0.00 H new ATOM 340 N VAL A 28 -15.234 2.141 -7.001 1.00 0.00 N ATOM 341 CA VAL A 28 -13.795 2.235 -7.215 1.00 0.00 C ATOM 342 C VAL A 28 -13.025 1.645 -6.039 1.00 0.00 C ATOM 343 O VAL A 28 -13.436 1.774 -4.886 1.00 0.00 O ATOM 344 CB VAL A 28 -13.353 3.696 -7.424 1.00 0.00 C ATOM 345 CG1 VAL A 28 -13.842 4.571 -6.280 1.00 0.00 C ATOM 346 CG2 VAL A 28 -11.840 3.779 -7.560 1.00 0.00 C ATOM 0 H VAL A 28 -15.702 3.039 -6.881 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.571 1.663 -8.115 1.00 0.00 H new ATOM 0 HB VAL A 28 -13.800 4.064 -8.348 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.520 5.599 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.930 4.534 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.426 4.207 -5.340 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.544 4.818 -7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.372 3.393 -6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -11.519 3.186 -8.416 1.00 0.00 H new ATOM 356 N PHE A 29 -11.903 0.998 -6.339 1.00 0.00 N ATOM 357 CA PHE A 29 -11.074 0.387 -5.306 1.00 0.00 C ATOM 358 C PHE A 29 -9.719 -0.026 -5.871 1.00 0.00 C ATOM 359 O PHE A 29 -9.529 -0.076 -7.087 1.00 0.00 O ATOM 360 CB PHE A 29 -11.783 -0.830 -4.708 1.00 0.00 C ATOM 361 CG PHE A 29 -11.984 -1.949 -5.689 1.00 0.00 C ATOM 362 CD1 PHE A 29 -10.932 -2.781 -6.037 1.00 0.00 C ATOM 363 CD2 PHE A 29 -13.226 -2.170 -6.263 1.00 0.00 C ATOM 364 CE1 PHE A 29 -11.114 -3.812 -6.940 1.00 0.00 C ATOM 365 CE2 PHE A 29 -13.414 -3.199 -7.166 1.00 0.00 C ATOM 366 CZ PHE A 29 -12.356 -4.020 -7.506 1.00 0.00 C ATOM 0 H PHE A 29 -11.547 0.883 -7.288 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.911 1.126 -4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.203 -1.199 -3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.753 -0.520 -4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.958 -2.622 -5.598 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -14.056 -1.531 -6.002 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -10.286 -4.454 -7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -14.387 -3.361 -7.606 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.500 -4.823 -8.213 1.00 0.00 H new ATOM 376 N VAL A 30 -8.778 -0.322 -4.980 1.00 0.00 N ATOM 377 CA VAL A 30 -7.439 -0.731 -5.388 1.00 0.00 C ATOM 378 C VAL A 30 -7.312 -2.251 -5.411 1.00 0.00 C ATOM 379 O VAL A 30 -7.260 -2.896 -4.363 1.00 0.00 O ATOM 380 CB VAL A 30 -6.364 -0.151 -4.450 1.00 0.00 C ATOM 381 CG1 VAL A 30 -4.981 -0.636 -4.858 1.00 0.00 C ATOM 382 CG2 VAL A 30 -6.426 1.369 -4.446 1.00 0.00 C ATOM 0 H VAL A 30 -8.918 -0.286 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.281 -0.341 -6.393 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.561 -0.503 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.235 -0.216 -4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.947 -1.724 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.770 -0.316 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.660 1.763 -3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.254 1.743 -5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.408 1.692 -4.102 1.00 0.00 H new ATOM 392 N LYS A 31 -7.263 -2.817 -6.611 1.00 0.00 N ATOM 393 CA LYS A 31 -7.140 -4.261 -6.772 1.00 0.00 C ATOM 394 C LYS A 31 -5.681 -4.696 -6.684 1.00 0.00 C ATOM 395 O LYS A 31 -4.834 -4.223 -7.443 1.00 0.00 O ATOM 396 CB LYS A 31 -7.733 -4.697 -8.114 1.00 0.00 C ATOM 397 CG LYS A 31 -8.049 -6.181 -8.185 1.00 0.00 C ATOM 398 CD LYS A 31 -6.854 -6.983 -8.673 1.00 0.00 C ATOM 399 CE LYS A 31 -7.177 -8.467 -8.763 1.00 0.00 C ATOM 400 NZ LYS A 31 -7.766 -8.827 -10.082 1.00 0.00 N ATOM 0 H LYS A 31 -7.307 -2.298 -7.488 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.693 -4.740 -5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.645 -4.130 -8.300 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.033 -4.444 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.350 -6.537 -7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.894 -6.342 -8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.544 -6.617 -9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.013 -6.833 -7.996 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.269 -9.047 -8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.873 -8.736 -7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.972 -9.846 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.646 -8.293 -10.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.092 -8.594 -10.839 1.00 0.00 H new ATOM 414 N LEU A 32 -5.393 -5.601 -5.754 1.00 0.00 N ATOM 415 CA LEU A 32 -4.036 -6.101 -5.568 1.00 0.00 C ATOM 416 C LEU A 32 -3.853 -7.448 -6.260 1.00 0.00 C ATOM 417 O LEU A 32 -4.825 -8.097 -6.646 1.00 0.00 O ATOM 418 CB LEU A 32 -3.720 -6.234 -4.077 1.00 0.00 C ATOM 419 CG LEU A 32 -3.514 -4.924 -3.316 1.00 0.00 C ATOM 420 CD1 LEU A 32 -3.431 -5.183 -1.820 1.00 0.00 C ATOM 421 CD2 LEU A 32 -2.260 -4.214 -3.806 1.00 0.00 C ATOM 0 H LEU A 32 -6.081 -6.003 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.347 -5.386 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.532 -6.784 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.820 -6.839 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.371 -4.278 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.284 -4.239 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.356 -5.648 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.593 -5.848 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.129 -3.284 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.393 -4.855 -3.647 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.358 -3.994 -4.869 1.00 0.00 H new ATOM 433 N ARG A 33 -2.599 -7.864 -6.411 1.00 0.00 N ATOM 434 CA ARG A 33 -2.289 -9.135 -7.055 1.00 0.00 C ATOM 435 C ARG A 33 -3.387 -10.161 -6.792 1.00 0.00 C ATOM 436 O ARG A 33 -4.171 -10.488 -7.684 1.00 0.00 O ATOM 437 CB ARG A 33 -0.946 -9.670 -6.553 1.00 0.00 C ATOM 438 CG ARG A 33 0.250 -9.125 -7.316 1.00 0.00 C ATOM 439 CD ARG A 33 0.819 -7.884 -6.646 1.00 0.00 C ATOM 440 NE ARG A 33 1.409 -6.961 -7.613 1.00 0.00 N ATOM 441 CZ ARG A 33 0.707 -6.326 -8.545 1.00 0.00 C ATOM 442 NH1 ARG A 33 -0.603 -6.511 -8.635 1.00 0.00 N ATOM 443 NH2 ARG A 33 1.315 -5.502 -9.389 1.00 0.00 N ATOM 0 H ARG A 33 -1.782 -7.340 -6.096 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.227 -8.963 -8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.837 -9.421 -5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.948 -10.758 -6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.022 -9.892 -7.380 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.047 -8.885 -8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.028 -7.375 -6.095 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.575 -8.179 -5.919 1.00 0.00 H new ATOM 0 HE ARG A 33 2.415 -6.795 -7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.075 -7.142 -7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.139 -6.022 -9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.322 -5.356 -9.322 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.775 -5.015 -10.104 1.00 0.00 H new ATOM 457 N ASP A 34 -3.438 -10.664 -5.564 1.00 0.00 N ATOM 458 CA ASP A 34 -4.440 -11.653 -5.184 1.00 0.00 C ATOM 459 C ASP A 34 -5.340 -11.115 -4.075 1.00 0.00 C ATOM 460 O ASP A 34 -6.283 -11.782 -3.649 1.00 0.00 O ATOM 461 CB ASP A 34 -3.764 -12.946 -4.726 1.00 0.00 C ATOM 462 CG ASP A 34 -3.500 -13.899 -5.875 1.00 0.00 C ATOM 463 OD1 ASP A 34 -3.474 -13.437 -7.035 1.00 0.00 O ATOM 464 OD2 ASP A 34 -3.318 -15.107 -5.614 1.00 0.00 O ATOM 0 H ASP A 34 -2.797 -10.403 -4.814 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.056 -11.864 -6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.822 -12.705 -4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.394 -13.439 -3.986 1.00 0.00 H new ATOM 469 N ARG A 35 -5.042 -9.905 -3.612 1.00 0.00 N ATOM 470 CA ARG A 35 -5.822 -9.279 -2.552 1.00 0.00 C ATOM 471 C ARG A 35 -6.556 -8.047 -3.073 1.00 0.00 C ATOM 472 O ARG A 35 -6.381 -7.647 -4.224 1.00 0.00 O ATOM 473 CB ARG A 35 -4.915 -8.890 -1.384 1.00 0.00 C ATOM 474 CG ARG A 35 -4.402 -10.079 -0.587 1.00 0.00 C ATOM 475 CD ARG A 35 -5.537 -10.810 0.113 1.00 0.00 C ATOM 476 NE ARG A 35 -6.257 -9.943 1.041 1.00 0.00 N ATOM 477 CZ ARG A 35 -7.576 -9.968 1.197 1.00 0.00 C ATOM 478 NH1 ARG A 35 -8.315 -10.812 0.490 1.00 0.00 N ATOM 479 NH2 ARG A 35 -8.159 -9.147 2.061 1.00 0.00 N ATOM 0 H ARG A 35 -4.266 -9.339 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.561 -10.001 -2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.064 -8.327 -1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.462 -8.225 -0.716 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.880 -10.767 -1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.677 -9.738 0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.231 -11.199 -0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.137 -11.667 0.654 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.718 -9.282 1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.871 -11.444 -0.176 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.328 -10.829 0.612 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.594 -8.496 2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.172 -9.167 2.180 1.00 0.00 H new ATOM 493 N HIS A 36 -7.380 -7.450 -2.217 1.00 0.00 N ATOM 494 CA HIS A 36 -8.141 -6.263 -2.591 1.00 0.00 C ATOM 495 C HIS A 36 -8.245 -5.293 -1.418 1.00 0.00 C ATOM 496 O HIS A 36 -8.297 -5.707 -0.260 1.00 0.00 O ATOM 497 CB HIS A 36 -9.539 -6.657 -3.067 1.00 0.00 C ATOM 498 CG HIS A 36 -9.532 -7.611 -4.221 1.00 0.00 C ATOM 499 ND1 HIS A 36 -9.300 -8.963 -4.079 1.00 0.00 N ATOM 500 CD2 HIS A 36 -9.732 -7.403 -5.544 1.00 0.00 C ATOM 501 CE1 HIS A 36 -9.356 -9.545 -5.264 1.00 0.00 C ATOM 502 NE2 HIS A 36 -9.617 -8.620 -6.170 1.00 0.00 N ATOM 0 H HIS A 36 -7.538 -7.768 -1.261 1.00 0.00 H new ATOM 0 HA HIS A 36 -7.615 -5.766 -3.406 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.083 -7.108 -2.237 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -10.083 -5.757 -3.353 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -9.114 -9.440 -3.197 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -9.943 -6.456 -6.019 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.213 -10.598 -5.459 1.00 0.00 H new ATOM 511 N ARG A 37 -8.274 -4.000 -1.726 1.00 0.00 N ATOM 512 CA ARG A 37 -8.369 -2.972 -0.697 1.00 0.00 C ATOM 513 C ARG A 37 -9.129 -1.754 -1.215 1.00 0.00 C ATOM 514 O ARG A 37 -9.500 -1.693 -2.388 1.00 0.00 O ATOM 515 CB ARG A 37 -6.973 -2.554 -0.232 1.00 0.00 C ATOM 516 CG ARG A 37 -6.458 -3.362 0.949 1.00 0.00 C ATOM 517 CD ARG A 37 -5.425 -2.583 1.748 1.00 0.00 C ATOM 518 NE ARG A 37 -4.916 -3.352 2.880 1.00 0.00 N ATOM 519 CZ ARG A 37 -3.987 -4.296 2.770 1.00 0.00 C ATOM 520 NH1 ARG A 37 -3.468 -4.585 1.585 1.00 0.00 N ATOM 521 NH2 ARG A 37 -3.575 -4.952 3.847 1.00 0.00 N ATOM 0 H ARG A 37 -8.233 -3.640 -2.680 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.916 -3.389 0.148 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.276 -2.657 -1.064 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.991 -1.499 0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.292 -3.634 1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.017 -4.292 0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.597 -2.305 1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.870 -1.656 2.110 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.294 -3.154 3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.781 -4.082 0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.755 -5.310 1.504 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.971 -4.732 4.761 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.862 -5.676 3.761 1.00 0.00 H new ATOM 535 N HIS A 38 -9.359 -0.787 -0.332 1.00 0.00 N ATOM 536 CA HIS A 38 -10.075 0.430 -0.700 1.00 0.00 C ATOM 537 C HIS A 38 -9.125 1.456 -1.310 1.00 0.00 C ATOM 538 O HIS A 38 -7.904 1.366 -1.173 1.00 0.00 O ATOM 539 CB HIS A 38 -10.772 1.026 0.523 1.00 0.00 C ATOM 540 CG HIS A 38 -12.129 0.447 0.781 1.00 0.00 C ATOM 541 ND1 HIS A 38 -12.409 -0.359 1.863 1.00 0.00 N ATOM 542 CD2 HIS A 38 -13.286 0.563 0.090 1.00 0.00 C ATOM 543 CE1 HIS A 38 -13.681 -0.716 1.826 1.00 0.00 C ATOM 544 NE2 HIS A 38 -14.236 -0.169 0.759 1.00 0.00 N ATOM 0 H HIS A 38 -9.060 -0.822 0.643 1.00 0.00 H new ATOM 0 HA HIS A 38 -10.826 0.169 -1.445 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -10.146 0.868 1.401 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -10.866 2.104 0.388 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.435 1.127 -0.819 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.181 -1.347 2.545 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -15.211 -0.273 0.478 1.00 0.00 H new ATOM 552 N PRO A 39 -9.695 2.455 -2.000 1.00 0.00 N ATOM 553 CA PRO A 39 -8.917 3.517 -2.644 1.00 0.00 C ATOM 554 C PRO A 39 -8.268 4.455 -1.633 1.00 0.00 C ATOM 555 O PRO A 39 -7.440 5.292 -1.992 1.00 0.00 O ATOM 556 CB PRO A 39 -9.961 4.267 -3.476 1.00 0.00 C ATOM 557 CG PRO A 39 -11.254 4.008 -2.783 1.00 0.00 C ATOM 558 CD PRO A 39 -11.143 2.625 -2.203 1.00 0.00 C ATOM 0 HA PRO A 39 -8.091 3.117 -3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.741 5.334 -3.519 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.983 3.905 -4.504 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.432 4.746 -2.001 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.090 4.073 -3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.693 2.537 -1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.545 1.872 -2.881 1.00 0.00 H new ATOM 566 N GLU A 40 -8.649 4.310 -0.368 1.00 0.00 N ATOM 567 CA GLU A 40 -8.103 5.146 0.695 1.00 0.00 C ATOM 568 C GLU A 40 -7.293 4.311 1.682 1.00 0.00 C ATOM 569 O GLU A 40 -6.358 4.806 2.311 1.00 0.00 O ATOM 570 CB GLU A 40 -9.230 5.875 1.431 1.00 0.00 C ATOM 571 CG GLU A 40 -10.278 4.943 2.014 1.00 0.00 C ATOM 572 CD GLU A 40 -11.590 5.647 2.300 1.00 0.00 C ATOM 573 OE1 GLU A 40 -11.597 6.574 3.137 1.00 0.00 O ATOM 574 OE2 GLU A 40 -12.611 5.270 1.687 1.00 0.00 O ATOM 0 H GLU A 40 -9.333 3.622 -0.054 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.441 5.882 0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.800 6.473 2.235 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.714 6.567 0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.455 4.121 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.896 4.505 2.936 1.00 0.00 H new ATOM 581 N CYS A 41 -7.660 3.040 1.814 1.00 0.00 N ATOM 582 CA CYS A 41 -6.969 2.135 2.724 1.00 0.00 C ATOM 583 C CYS A 41 -5.637 1.681 2.134 1.00 0.00 C ATOM 584 O CYS A 41 -4.694 1.376 2.865 1.00 0.00 O ATOM 585 CB CYS A 41 -7.846 0.918 3.029 1.00 0.00 C ATOM 586 SG CYS A 41 -9.439 1.327 3.813 1.00 0.00 S ATOM 0 H CYS A 41 -8.432 2.614 1.302 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.770 2.673 3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.038 0.380 2.101 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.295 0.241 3.682 1.00 0.00 H new ATOM 591 N TYR A 42 -5.568 1.639 0.808 1.00 0.00 N ATOM 592 CA TYR A 42 -4.353 1.220 0.119 1.00 0.00 C ATOM 593 C TYR A 42 -3.121 1.862 0.749 1.00 0.00 C ATOM 594 O TYR A 42 -2.003 1.369 0.599 1.00 0.00 O ATOM 595 CB TYR A 42 -4.431 1.587 -1.364 1.00 0.00 C ATOM 596 CG TYR A 42 -3.166 1.273 -2.132 1.00 0.00 C ATOM 597 CD1 TYR A 42 -2.469 0.092 -1.909 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.668 2.159 -3.080 1.00 0.00 C ATOM 599 CE1 TYR A 42 -1.314 -0.198 -2.608 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.514 1.876 -3.784 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.840 0.697 -3.544 1.00 0.00 C ATOM 602 OH TYR A 42 0.311 0.412 -4.243 1.00 0.00 O ATOM 0 H TYR A 42 -6.339 1.890 0.189 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.266 0.138 0.215 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.265 1.052 -1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.647 2.651 -1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.837 -0.611 -1.176 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.192 3.084 -3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.785 -1.121 -2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.141 2.574 -4.519 1.00 0.00 H new ATOM 0 HH TYR A 42 0.759 1.248 -4.490 1.00 0.00 H new ATOM 612 N VAL A 43 -3.334 2.967 1.457 1.00 0.00 N ATOM 613 CA VAL A 43 -2.242 3.678 2.112 1.00 0.00 C ATOM 614 C VAL A 43 -1.413 2.735 2.977 1.00 0.00 C ATOM 615 O VAL A 43 -1.863 1.645 3.333 1.00 0.00 O ATOM 616 CB VAL A 43 -2.768 4.830 2.988 1.00 0.00 C ATOM 617 CG1 VAL A 43 -3.572 5.813 2.151 1.00 0.00 C ATOM 618 CG2 VAL A 43 -3.605 4.287 4.137 1.00 0.00 C ATOM 0 H VAL A 43 -4.253 3.389 1.592 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.614 4.089 1.322 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.915 5.361 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.936 6.620 2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.938 6.227 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.419 5.298 1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.968 5.115 4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.453 3.730 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.994 3.626 4.752 1.00 0.00 H new ATOM 628 N CYS A 44 -0.200 3.161 3.312 1.00 0.00 N ATOM 629 CA CYS A 44 0.693 2.355 4.136 1.00 0.00 C ATOM 630 C CYS A 44 0.020 1.965 5.448 1.00 0.00 C ATOM 631 O CYS A 44 -0.978 2.565 5.850 1.00 0.00 O ATOM 632 CB CYS A 44 1.987 3.120 4.421 1.00 0.00 C ATOM 633 SG CYS A 44 3.148 2.237 5.511 1.00 0.00 S ATOM 0 H CYS A 44 0.187 4.060 3.026 1.00 0.00 H new ATOM 0 HA CYS A 44 0.931 1.444 3.586 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.485 3.335 3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.737 4.079 4.875 1.00 0.00 H new ATOM 638 N THR A 45 0.573 0.956 6.114 1.00 0.00 N ATOM 639 CA THR A 45 0.026 0.485 7.381 1.00 0.00 C ATOM 640 C THR A 45 0.655 1.222 8.558 1.00 0.00 C ATOM 641 O THR A 45 -0.023 1.545 9.534 1.00 0.00 O ATOM 642 CB THR A 45 0.247 -1.028 7.560 1.00 0.00 C ATOM 643 OG1 THR A 45 -0.431 -1.748 6.524 1.00 0.00 O ATOM 644 CG2 THR A 45 -0.255 -1.492 8.919 1.00 0.00 C ATOM 0 H THR A 45 1.399 0.449 5.797 1.00 0.00 H new ATOM 0 HA THR A 45 -1.045 0.688 7.359 1.00 0.00 H new ATOM 0 HB THR A 45 1.317 -1.226 7.499 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.087 -1.692 5.694 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.088 -2.564 9.022 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.284 -0.964 9.706 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.321 -1.281 9.005 1.00 0.00 H new ATOM 652 N ASP A 46 1.953 1.485 8.461 1.00 0.00 N ATOM 653 CA ASP A 46 2.673 2.186 9.518 1.00 0.00 C ATOM 654 C ASP A 46 2.177 3.622 9.653 1.00 0.00 C ATOM 655 O ASP A 46 1.597 3.997 10.672 1.00 0.00 O ATOM 656 CB ASP A 46 4.175 2.176 9.234 1.00 0.00 C ATOM 657 CG ASP A 46 5.002 2.414 10.483 1.00 0.00 C ATOM 658 OD1 ASP A 46 4.659 3.334 11.255 1.00 0.00 O ATOM 659 OD2 ASP A 46 5.991 1.681 10.688 1.00 0.00 O ATOM 0 H ASP A 46 2.529 1.223 7.661 1.00 0.00 H new ATOM 0 HA ASP A 46 2.486 1.667 10.458 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.452 1.218 8.795 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.407 2.944 8.496 1.00 0.00 H new ATOM 664 N CYS A 47 2.412 4.423 8.619 1.00 0.00 N ATOM 665 CA CYS A 47 1.991 5.819 8.621 1.00 0.00 C ATOM 666 C CYS A 47 0.597 5.968 8.020 1.00 0.00 C ATOM 667 O CYS A 47 -0.336 6.408 8.690 1.00 0.00 O ATOM 668 CB CYS A 47 2.990 6.675 7.840 1.00 0.00 C ATOM 669 SG CYS A 47 3.625 5.883 6.328 1.00 0.00 S ATOM 0 H CYS A 47 2.892 4.129 7.768 1.00 0.00 H new ATOM 0 HA CYS A 47 1.959 6.162 9.655 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.512 7.617 7.571 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.830 6.918 8.490 1.00 0.00 H new ATOM 674 N GLY A 48 0.463 5.597 6.750 1.00 0.00 N ATOM 675 CA GLY A 48 -0.820 5.697 6.079 1.00 0.00 C ATOM 676 C GLY A 48 -0.810 6.717 4.957 1.00 0.00 C ATOM 677 O GLY A 48 -1.680 7.587 4.890 1.00 0.00 O ATOM 0 H GLY A 48 1.220 5.229 6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.093 4.721 5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.586 5.968 6.805 1.00 0.00 H new ATOM 681 N THR A 49 0.177 6.613 4.073 1.00 0.00 N ATOM 682 CA THR A 49 0.299 7.534 2.951 1.00 0.00 C ATOM 683 C THR A 49 -0.167 6.885 1.653 1.00 0.00 C ATOM 684 O THR A 49 -0.052 5.673 1.478 1.00 0.00 O ATOM 685 CB THR A 49 1.750 8.019 2.777 1.00 0.00 C ATOM 686 OG1 THR A 49 1.803 9.066 1.802 1.00 0.00 O ATOM 687 CG2 THR A 49 2.655 6.874 2.348 1.00 0.00 C ATOM 0 H THR A 49 0.904 5.899 4.113 1.00 0.00 H new ATOM 0 HA THR A 49 -0.338 8.390 3.175 1.00 0.00 H new ATOM 0 HB THR A 49 2.100 8.399 3.737 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.729 9.370 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.675 7.240 2.231 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.635 6.091 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.304 6.469 1.399 1.00 0.00 H new ATOM 695 N ASN A 50 -0.694 7.700 0.745 1.00 0.00 N ATOM 696 CA ASN A 50 -1.178 7.204 -0.538 1.00 0.00 C ATOM 697 C ASN A 50 -0.056 6.521 -1.316 1.00 0.00 C ATOM 698 O ASN A 50 0.939 7.152 -1.673 1.00 0.00 O ATOM 699 CB ASN A 50 -1.762 8.351 -1.365 1.00 0.00 C ATOM 700 CG ASN A 50 -3.001 8.951 -0.728 1.00 0.00 C ATOM 701 OD1 ASN A 50 -2.962 10.057 -0.190 1.00 0.00 O ATOM 702 ND2 ASN A 50 -4.108 8.220 -0.787 1.00 0.00 N ATOM 0 H ASN A 50 -0.797 8.707 0.874 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.960 6.470 -0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.007 9.128 -1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.009 7.987 -2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.973 8.571 -0.376 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.093 7.308 -1.244 1.00 0.00 H new ATOM 709 N LEU A 51 -0.225 5.229 -1.574 1.00 0.00 N ATOM 710 CA LEU A 51 0.773 4.460 -2.310 1.00 0.00 C ATOM 711 C LEU A 51 0.328 4.229 -3.751 1.00 0.00 C ATOM 712 O LEU A 51 0.883 3.386 -4.456 1.00 0.00 O ATOM 713 CB LEU A 51 1.022 3.118 -1.620 1.00 0.00 C ATOM 714 CG LEU A 51 1.307 3.178 -0.119 1.00 0.00 C ATOM 715 CD1 LEU A 51 1.198 1.793 0.501 1.00 0.00 C ATOM 716 CD2 LEU A 51 2.683 3.773 0.140 1.00 0.00 C ATOM 0 H LEU A 51 -1.043 4.692 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 51 1.700 5.033 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.150 2.483 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.865 2.631 -2.110 1.00 0.00 H new ATOM 0 HG LEU A 51 0.561 3.822 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.404 1.855 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.191 1.404 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.920 1.126 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.868 3.808 1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.443 3.155 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.726 4.783 -0.268 1.00 0.00 H new ATOM 728 N LYS A 52 -0.675 4.985 -4.184 1.00 0.00 N ATOM 729 CA LYS A 52 -1.192 4.867 -5.541 1.00 0.00 C ATOM 730 C LYS A 52 -0.054 4.731 -6.548 1.00 0.00 C ATOM 731 O LYS A 52 -0.006 3.772 -7.318 1.00 0.00 O ATOM 732 CB LYS A 52 -2.053 6.084 -5.889 1.00 0.00 C ATOM 733 CG LYS A 52 -2.798 5.946 -7.205 1.00 0.00 C ATOM 734 CD LYS A 52 -3.891 4.894 -7.120 1.00 0.00 C ATOM 735 CE LYS A 52 -4.296 4.397 -8.499 1.00 0.00 C ATOM 736 NZ LYS A 52 -3.424 3.283 -8.965 1.00 0.00 N ATOM 0 H LYS A 52 -1.146 5.687 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.807 3.968 -5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.774 6.249 -5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.417 6.968 -5.932 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.236 6.906 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.096 5.680 -7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.543 4.055 -6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.761 5.312 -6.613 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.333 4.061 -8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.245 5.220 -9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.732 2.972 -9.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.438 3.611 -9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.492 2.487 -8.299 1.00 0.00 H new ATOM 750 N GLN A 53 0.860 5.696 -6.534 1.00 0.00 N ATOM 751 CA GLN A 53 1.998 5.683 -7.446 1.00 0.00 C ATOM 752 C GLN A 53 3.239 5.123 -6.759 1.00 0.00 C ATOM 753 O GLN A 53 3.817 4.133 -7.209 1.00 0.00 O ATOM 754 CB GLN A 53 2.280 7.094 -7.964 1.00 0.00 C ATOM 755 CG GLN A 53 1.134 7.688 -8.768 1.00 0.00 C ATOM 756 CD GLN A 53 1.473 9.045 -9.351 1.00 0.00 C ATOM 757 OE1 GLN A 53 2.577 9.261 -9.852 1.00 0.00 O ATOM 758 NE2 GLN A 53 0.522 9.970 -9.290 1.00 0.00 N ATOM 0 H GLN A 53 0.835 6.496 -5.902 1.00 0.00 H new ATOM 0 HA GLN A 53 1.749 5.038 -8.289 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.495 7.746 -7.118 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.175 7.072 -8.585 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.870 7.005 -9.576 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.256 7.780 -8.129 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.379 9.748 -8.866 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.692 10.902 -9.667 1.00 0.00 H new ATOM 767 N LYS A 54 3.643 5.761 -5.667 1.00 0.00 N ATOM 768 CA LYS A 54 4.816 5.327 -4.916 1.00 0.00 C ATOM 769 C LYS A 54 4.962 3.810 -4.966 1.00 0.00 C ATOM 770 O LYS A 54 6.040 3.290 -5.250 1.00 0.00 O ATOM 771 CB LYS A 54 4.717 5.794 -3.462 1.00 0.00 C ATOM 772 CG LYS A 54 4.565 7.298 -3.314 1.00 0.00 C ATOM 773 CD LYS A 54 4.305 7.693 -1.870 1.00 0.00 C ATOM 774 CE LYS A 54 4.139 9.198 -1.726 1.00 0.00 C ATOM 775 NZ LYS A 54 5.452 9.900 -1.690 1.00 0.00 N ATOM 0 H LYS A 54 3.176 6.581 -5.281 1.00 0.00 H new ATOM 0 HA LYS A 54 5.698 5.774 -5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.866 5.303 -2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.609 5.473 -2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.469 7.793 -3.670 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.743 7.645 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.407 7.191 -1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.131 7.355 -1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.546 9.579 -2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.585 9.417 -0.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.296 10.923 -1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.008 9.555 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.970 9.713 -2.572 1.00 0.00 H new ATOM 789 N GLY A 55 3.870 3.105 -4.689 1.00 0.00 N ATOM 790 CA GLY A 55 3.898 1.654 -4.708 1.00 0.00 C ATOM 791 C GLY A 55 3.759 1.052 -3.324 1.00 0.00 C ATOM 792 O GLY A 55 3.845 1.760 -2.320 1.00 0.00 O ATOM 0 H GLY A 55 2.966 3.513 -4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.092 1.287 -5.343 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.834 1.318 -5.155 1.00 0.00 H new ATOM 796 N HIS A 56 3.541 -0.258 -3.269 1.00 0.00 N ATOM 797 CA HIS A 56 3.388 -0.955 -1.997 1.00 0.00 C ATOM 798 C HIS A 56 4.231 -2.226 -1.969 1.00 0.00 C ATOM 799 O HIS A 56 4.564 -2.785 -3.015 1.00 0.00 O ATOM 800 CB HIS A 56 1.918 -1.298 -1.753 1.00 0.00 C ATOM 801 CG HIS A 56 1.545 -2.680 -2.193 1.00 0.00 C ATOM 802 ND1 HIS A 56 1.097 -2.970 -3.465 1.00 0.00 N ATOM 803 CD2 HIS A 56 1.556 -3.856 -1.523 1.00 0.00 C ATOM 804 CE1 HIS A 56 0.848 -4.264 -3.557 1.00 0.00 C ATOM 805 NE2 HIS A 56 1.118 -4.824 -2.392 1.00 0.00 N ATOM 0 H HIS A 56 3.466 -0.858 -4.090 1.00 0.00 H new ATOM 0 HA HIS A 56 3.735 -0.293 -1.204 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.700 -1.193 -0.690 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.293 -0.577 -2.279 1.00 0.00 H new ATOM 0 HD2 HIS A 56 1.854 -4.005 -0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.485 -4.777 -4.436 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.017 -5.815 -2.173 1.00 0.00 H new ATOM 814 N PHE A 57 4.573 -2.678 -0.767 1.00 0.00 N ATOM 815 CA PHE A 57 5.378 -3.882 -0.603 1.00 0.00 C ATOM 816 C PHE A 57 4.614 -4.945 0.180 1.00 0.00 C ATOM 817 O PHE A 57 3.582 -4.662 0.788 1.00 0.00 O ATOM 818 CB PHE A 57 6.690 -3.551 0.112 1.00 0.00 C ATOM 819 CG PHE A 57 7.736 -2.967 -0.795 1.00 0.00 C ATOM 820 CD1 PHE A 57 7.730 -1.616 -1.101 1.00 0.00 C ATOM 821 CD2 PHE A 57 8.725 -3.770 -1.340 1.00 0.00 C ATOM 822 CE1 PHE A 57 8.691 -1.077 -1.935 1.00 0.00 C ATOM 823 CE2 PHE A 57 9.689 -3.236 -2.175 1.00 0.00 C ATOM 824 CZ PHE A 57 9.672 -1.888 -2.472 1.00 0.00 C ATOM 0 H PHE A 57 4.305 -2.228 0.108 1.00 0.00 H new ATOM 0 HA PHE A 57 5.602 -4.276 -1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.487 -2.848 0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.084 -4.458 0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.966 -0.977 -0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 57 8.743 -4.825 -1.110 1.00 0.00 H new ATOM 0 HE1 PHE A 57 8.675 -0.022 -2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.454 -3.873 -2.594 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.424 -1.468 -3.123 1.00 0.00 H new ATOM 834 N PHE A 58 5.128 -6.171 0.159 1.00 0.00 N ATOM 835 CA PHE A 58 4.494 -7.278 0.865 1.00 0.00 C ATOM 836 C PHE A 58 5.373 -7.767 2.011 1.00 0.00 C ATOM 837 O PHE A 58 6.441 -8.338 1.790 1.00 0.00 O ATOM 838 CB PHE A 58 4.208 -8.430 -0.101 1.00 0.00 C ATOM 839 CG PHE A 58 2.898 -8.296 -0.823 1.00 0.00 C ATOM 840 CD1 PHE A 58 1.719 -8.114 -0.118 1.00 0.00 C ATOM 841 CD2 PHE A 58 2.844 -8.355 -2.206 1.00 0.00 C ATOM 842 CE1 PHE A 58 0.511 -7.990 -0.779 1.00 0.00 C ATOM 843 CE2 PHE A 58 1.640 -8.231 -2.872 1.00 0.00 C ATOM 844 CZ PHE A 58 0.472 -8.050 -2.158 1.00 0.00 C ATOM 0 H PHE A 58 5.982 -6.422 -0.339 1.00 0.00 H new ATOM 0 HA PHE A 58 3.552 -6.919 1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.013 -8.488 -0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.214 -9.368 0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.744 -8.068 0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.754 -8.500 -2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.400 -7.846 -0.218 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.612 -8.276 -3.951 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.470 -7.956 -2.677 1.00 0.00 H new ATOM 854 N VAL A 59 4.917 -7.538 3.239 1.00 0.00 N ATOM 855 CA VAL A 59 5.661 -7.955 4.421 1.00 0.00 C ATOM 856 C VAL A 59 4.729 -8.176 5.607 1.00 0.00 C ATOM 857 O VAL A 59 3.948 -7.296 5.967 1.00 0.00 O ATOM 858 CB VAL A 59 6.729 -6.914 4.808 1.00 0.00 C ATOM 859 CG1 VAL A 59 6.326 -5.530 4.323 1.00 0.00 C ATOM 860 CG2 VAL A 59 6.954 -6.916 6.313 1.00 0.00 C ATOM 0 H VAL A 59 4.036 -7.066 3.441 1.00 0.00 H new ATOM 0 HA VAL A 59 6.154 -8.894 4.170 1.00 0.00 H new ATOM 0 HB VAL A 59 7.667 -7.184 4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.092 -4.808 4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.220 -5.541 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.376 -5.248 4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.711 -6.175 6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.021 -6.671 6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.291 -7.903 6.629 1.00 0.00 H new ATOM 870 N GLU A 60 4.818 -9.357 6.211 1.00 0.00 N ATOM 871 CA GLU A 60 3.982 -9.693 7.357 1.00 0.00 C ATOM 872 C GLU A 60 2.502 -9.615 6.992 1.00 0.00 C ATOM 873 O GLU A 60 1.682 -9.140 7.778 1.00 0.00 O ATOM 874 CB GLU A 60 4.280 -8.754 8.527 1.00 0.00 C ATOM 875 CG GLU A 60 5.650 -8.969 9.146 1.00 0.00 C ATOM 876 CD GLU A 60 6.010 -7.895 10.155 1.00 0.00 C ATOM 877 OE1 GLU A 60 5.133 -7.520 10.961 1.00 0.00 O ATOM 878 OE2 GLU A 60 7.169 -7.430 10.137 1.00 0.00 O ATOM 0 H GLU A 60 5.460 -10.096 5.926 1.00 0.00 H new ATOM 0 HA GLU A 60 4.212 -10.716 7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.204 -7.723 8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.518 -8.891 9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.675 -9.943 9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.402 -8.988 8.357 1.00 0.00 H new ATOM 885 N ASP A 61 2.168 -10.085 5.795 1.00 0.00 N ATOM 886 CA ASP A 61 0.788 -10.069 5.325 1.00 0.00 C ATOM 887 C ASP A 61 0.207 -8.660 5.390 1.00 0.00 C ATOM 888 O ASP A 61 -0.989 -8.482 5.616 1.00 0.00 O ATOM 889 CB ASP A 61 -0.067 -11.026 6.157 1.00 0.00 C ATOM 890 CG ASP A 61 -1.325 -11.460 5.430 1.00 0.00 C ATOM 891 OD1 ASP A 61 -1.206 -12.204 4.434 1.00 0.00 O ATOM 892 OD2 ASP A 61 -2.427 -11.056 5.856 1.00 0.00 O ATOM 0 H ASP A 61 2.834 -10.482 5.133 1.00 0.00 H new ATOM 0 HA ASP A 61 0.780 -10.397 4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.523 -11.906 6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.341 -10.542 7.094 1.00 0.00 H new ATOM 897 N GLN A 62 1.064 -7.663 5.192 1.00 0.00 N ATOM 898 CA GLN A 62 0.635 -6.270 5.231 1.00 0.00 C ATOM 899 C GLN A 62 1.237 -5.483 4.071 1.00 0.00 C ATOM 900 O GLN A 62 2.006 -6.023 3.276 1.00 0.00 O ATOM 901 CB GLN A 62 1.035 -5.628 6.560 1.00 0.00 C ATOM 902 CG GLN A 62 0.334 -6.236 7.765 1.00 0.00 C ATOM 903 CD GLN A 62 -1.124 -5.832 7.857 1.00 0.00 C ATOM 904 OE1 GLN A 62 -1.848 -5.846 6.861 1.00 0.00 O ATOM 905 NE2 GLN A 62 -1.564 -5.471 9.056 1.00 0.00 N ATOM 0 H GLN A 62 2.058 -7.794 5.003 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.451 -6.248 5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.113 -5.724 6.690 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.812 -4.562 6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.403 -7.322 7.711 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.850 -5.929 8.674 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.929 -5.474 9.854 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.537 -5.191 9.179 1.00 0.00 H new ATOM 914 N ILE A 63 0.881 -4.206 3.981 1.00 0.00 N ATOM 915 CA ILE A 63 1.387 -3.345 2.919 1.00 0.00 C ATOM 916 C ILE A 63 1.964 -2.053 3.487 1.00 0.00 C ATOM 917 O ILE A 63 1.330 -1.383 4.302 1.00 0.00 O ATOM 918 CB ILE A 63 0.283 -2.998 1.903 1.00 0.00 C ATOM 919 CG1 ILE A 63 -0.954 -2.458 2.624 1.00 0.00 C ATOM 920 CG2 ILE A 63 -0.074 -4.220 1.070 1.00 0.00 C ATOM 921 CD1 ILE A 63 -1.758 -1.481 1.796 1.00 0.00 C ATOM 0 H ILE A 63 0.244 -3.745 4.631 1.00 0.00 H new ATOM 0 HA ILE A 63 2.176 -3.900 2.411 1.00 0.00 H new ATOM 0 HB ILE A 63 0.657 -2.223 1.234 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.593 -3.294 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.642 -1.969 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.856 -3.958 0.357 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.809 -4.564 0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.431 -5.015 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.619 -1.140 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.134 -0.626 1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.101 -1.972 0.885 1.00 0.00 H new ATOM 933 N TYR A 64 3.171 -1.709 3.050 1.00 0.00 N ATOM 934 CA TYR A 64 3.835 -0.497 3.515 1.00 0.00 C ATOM 935 C TYR A 64 4.414 0.290 2.344 1.00 0.00 C ATOM 936 O TYR A 64 4.347 -0.145 1.194 1.00 0.00 O ATOM 937 CB TYR A 64 4.946 -0.848 4.507 1.00 0.00 C ATOM 938 CG TYR A 64 4.560 -1.931 5.489 1.00 0.00 C ATOM 939 CD1 TYR A 64 3.898 -1.620 6.670 1.00 0.00 C ATOM 940 CD2 TYR A 64 4.860 -3.264 5.237 1.00 0.00 C ATOM 941 CE1 TYR A 64 3.545 -2.606 7.572 1.00 0.00 C ATOM 942 CE2 TYR A 64 4.509 -4.256 6.132 1.00 0.00 C ATOM 943 CZ TYR A 64 3.852 -3.922 7.298 1.00 0.00 C ATOM 944 OH TYR A 64 3.502 -4.908 8.192 1.00 0.00 O ATOM 0 H TYR A 64 3.709 -2.252 2.375 1.00 0.00 H new ATOM 0 HA TYR A 64 3.093 0.125 4.016 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.828 -1.169 3.953 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.225 0.049 5.059 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.655 -0.590 6.887 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.376 -3.529 4.326 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.032 -2.347 8.486 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.748 -5.288 5.920 1.00 0.00 H new ATOM 0 HH TYR A 64 2.691 -4.641 8.673 1.00 0.00 H new ATOM 954 N CYS A 65 4.983 1.453 2.644 1.00 0.00 N ATOM 955 CA CYS A 65 5.575 2.303 1.619 1.00 0.00 C ATOM 956 C CYS A 65 7.048 1.962 1.413 1.00 0.00 C ATOM 957 O CYS A 65 7.769 1.681 2.369 1.00 0.00 O ATOM 958 CB CYS A 65 5.430 3.777 2.003 1.00 0.00 C ATOM 959 SG CYS A 65 6.075 4.181 3.658 1.00 0.00 S ATOM 0 H CYS A 65 5.046 1.828 3.590 1.00 0.00 H new ATOM 0 HA CYS A 65 5.045 2.124 0.684 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.949 4.387 1.264 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.376 4.051 1.959 1.00 0.00 H new ATOM 964 N GLU A 66 7.486 1.990 0.158 1.00 0.00 N ATOM 965 CA GLU A 66 8.873 1.683 -0.173 1.00 0.00 C ATOM 966 C GLU A 66 9.808 2.113 0.953 1.00 0.00 C ATOM 967 O GLU A 66 10.800 1.443 1.242 1.00 0.00 O ATOM 968 CB GLU A 66 9.274 2.376 -1.477 1.00 0.00 C ATOM 969 CG GLU A 66 10.740 2.198 -1.835 1.00 0.00 C ATOM 970 CD GLU A 66 11.083 2.775 -3.194 1.00 0.00 C ATOM 971 OE1 GLU A 66 10.521 3.833 -3.548 1.00 0.00 O ATOM 972 OE2 GLU A 66 11.913 2.170 -3.904 1.00 0.00 O ATOM 0 H GLU A 66 6.901 2.222 -0.645 1.00 0.00 H new ATOM 0 HA GLU A 66 8.960 0.604 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.660 1.986 -2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.055 3.441 -1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.357 2.678 -1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.987 1.136 -1.822 1.00 0.00 H new ATOM 979 N LYS A 67 9.487 3.236 1.586 1.00 0.00 N ATOM 980 CA LYS A 67 10.296 3.757 2.681 1.00 0.00 C ATOM 981 C LYS A 67 10.295 2.795 3.864 1.00 0.00 C ATOM 982 O LYS A 67 11.347 2.322 4.295 1.00 0.00 O ATOM 983 CB LYS A 67 9.774 5.126 3.122 1.00 0.00 C ATOM 984 CG LYS A 67 10.586 5.755 4.240 1.00 0.00 C ATOM 985 CD LYS A 67 9.742 6.698 5.081 1.00 0.00 C ATOM 986 CE LYS A 67 9.537 8.034 4.384 1.00 0.00 C ATOM 987 NZ LYS A 67 10.789 8.840 4.350 1.00 0.00 N ATOM 0 H LYS A 67 8.671 3.804 1.359 1.00 0.00 H new ATOM 0 HA LYS A 67 11.320 3.864 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.771 5.798 2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.739 5.023 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.000 4.972 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.429 6.300 3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.774 6.239 5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.225 6.859 6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.188 7.863 3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.757 8.596 4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.561 9.825 4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.245 8.812 5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.436 8.447 3.637 1.00 0.00 H new ATOM 1001 N HIS A 68 9.106 2.507 4.385 1.00 0.00 N ATOM 1002 CA HIS A 68 8.968 1.599 5.518 1.00 0.00 C ATOM 1003 C HIS A 68 9.294 0.166 5.109 1.00 0.00 C ATOM 1004 O HIS A 68 9.992 -0.551 5.825 1.00 0.00 O ATOM 1005 CB HIS A 68 7.550 1.670 6.086 1.00 0.00 C ATOM 1006 CG HIS A 68 7.304 2.878 6.935 1.00 0.00 C ATOM 1007 ND1 HIS A 68 6.069 3.482 7.046 1.00 0.00 N ATOM 1008 CD2 HIS A 68 8.143 3.595 7.719 1.00 0.00 C ATOM 1009 CE1 HIS A 68 6.160 4.519 7.860 1.00 0.00 C ATOM 1010 NE2 HIS A 68 7.408 4.609 8.282 1.00 0.00 N ATOM 0 H HIS A 68 8.225 2.889 4.041 1.00 0.00 H new ATOM 0 HA HIS A 68 9.675 1.908 6.288 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.837 1.664 5.262 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.360 0.775 6.678 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.195 3.405 7.873 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.351 5.180 8.134 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.768 5.317 8.922 1.00 0.00 H new ATOM 1018 N ALA A 69 8.782 -0.245 3.953 1.00 0.00 N ATOM 1019 CA ALA A 69 9.020 -1.591 3.448 1.00 0.00 C ATOM 1020 C ALA A 69 10.501 -1.947 3.510 1.00 0.00 C ATOM 1021 O ALA A 69 10.898 -2.874 4.216 1.00 0.00 O ATOM 1022 CB ALA A 69 8.503 -1.719 2.022 1.00 0.00 C ATOM 0 H ALA A 69 8.200 0.335 3.349 1.00 0.00 H new ATOM 0 HA ALA A 69 8.478 -2.292 4.083 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.687 -2.730 1.657 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.432 -1.516 2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.019 -1.003 1.382 1.00 0.00 H new ATOM 1028 N ARG A 70 11.315 -1.206 2.765 1.00 0.00 N ATOM 1029 CA ARG A 70 12.753 -1.445 2.734 1.00 0.00 C ATOM 1030 C ARG A 70 13.319 -1.536 4.148 1.00 0.00 C ATOM 1031 O ARG A 70 14.221 -2.329 4.415 1.00 0.00 O ATOM 1032 CB ARG A 70 13.460 -0.331 1.960 1.00 0.00 C ATOM 1033 CG ARG A 70 13.544 0.981 2.722 1.00 0.00 C ATOM 1034 CD ARG A 70 14.502 1.954 2.052 1.00 0.00 C ATOM 1035 NE ARG A 70 14.510 3.257 2.712 1.00 0.00 N ATOM 1036 CZ ARG A 70 15.542 4.092 2.678 1.00 0.00 C ATOM 1037 NH1 ARG A 70 16.645 3.762 2.019 1.00 0.00 N ATOM 1038 NH2 ARG A 70 15.474 5.260 3.304 1.00 0.00 N ATOM 0 H ARG A 70 11.003 -0.435 2.175 1.00 0.00 H new ATOM 0 HA ARG A 70 12.928 -2.395 2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.468 -0.659 1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.934 -0.163 1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.553 1.430 2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.873 0.789 3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.509 1.536 2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.219 2.079 1.007 1.00 0.00 H new ATOM 0 HE ARG A 70 13.677 3.541 3.227 1.00 0.00 H new ATOM 0 HH11 ARG A 70 16.702 2.865 1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.436 4.405 1.995 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.628 5.518 3.812 1.00 0.00 H new ATOM 0 HH22 ARG A 70 16.268 5.900 3.277 1.00 0.00 H new ATOM 1052 N GLU A 71 12.784 -0.717 5.048 1.00 0.00 N ATOM 1053 CA GLU A 71 13.238 -0.704 6.434 1.00 0.00 C ATOM 1054 C GLU A 71 12.871 -2.007 7.138 1.00 0.00 C ATOM 1055 O GLU A 71 13.649 -2.537 7.931 1.00 0.00 O ATOM 1056 CB GLU A 71 12.629 0.483 7.183 1.00 0.00 C ATOM 1057 CG GLU A 71 13.239 1.821 6.802 1.00 0.00 C ATOM 1058 CD GLU A 71 12.831 2.938 7.743 1.00 0.00 C ATOM 1059 OE1 GLU A 71 13.361 2.984 8.873 1.00 0.00 O ATOM 1060 OE2 GLU A 71 11.981 3.764 7.351 1.00 0.00 O ATOM 0 H GLU A 71 12.036 -0.054 4.843 1.00 0.00 H new ATOM 0 HA GLU A 71 14.323 -0.605 6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.557 0.513 6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.754 0.328 8.255 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.325 1.733 6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.937 2.078 5.787 1.00 0.00 H new ATOM 1067 N ARG A 72 11.680 -2.518 6.842 1.00 0.00 N ATOM 1068 CA ARG A 72 11.209 -3.757 7.448 1.00 0.00 C ATOM 1069 C ARG A 72 11.891 -4.966 6.815 1.00 0.00 C ATOM 1070 O ARG A 72 12.546 -5.752 7.500 1.00 0.00 O ATOM 1071 CB ARG A 72 9.691 -3.878 7.298 1.00 0.00 C ATOM 1072 CG ARG A 72 8.912 -3.009 8.272 1.00 0.00 C ATOM 1073 CD ARG A 72 7.433 -2.966 7.919 1.00 0.00 C ATOM 1074 NE ARG A 72 6.678 -4.017 8.597 1.00 0.00 N ATOM 1075 CZ ARG A 72 6.361 -3.980 9.886 1.00 0.00 C ATOM 1076 NH1 ARG A 72 6.732 -2.949 10.634 1.00 0.00 N ATOM 1077 NH2 ARG A 72 5.672 -4.974 10.430 1.00 0.00 N ATOM 0 H ARG A 72 11.024 -2.093 6.186 1.00 0.00 H new ATOM 0 HA ARG A 72 11.462 -3.733 8.508 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.412 -3.607 6.280 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.402 -4.919 7.442 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.035 -3.395 9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.319 -1.998 8.265 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.024 -1.993 8.190 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.314 -3.072 6.841 1.00 0.00 H new ATOM 0 HE ARG A 72 6.378 -4.824 8.050 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.262 -2.182 10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.487 -2.923 11.624 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.385 -5.768 9.858 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.429 -4.944 11.420 1.00 0.00 H new ATOM 1091 N VAL A 73 11.733 -5.108 5.503 1.00 0.00 N ATOM 1092 CA VAL A 73 12.334 -6.220 4.776 1.00 0.00 C ATOM 1093 C VAL A 73 13.784 -6.432 5.197 1.00 0.00 C ATOM 1094 O VAL A 73 14.200 -7.554 5.485 1.00 0.00 O ATOM 1095 CB VAL A 73 12.281 -5.991 3.254 1.00 0.00 C ATOM 1096 CG1 VAL A 73 12.973 -7.127 2.518 1.00 0.00 C ATOM 1097 CG2 VAL A 73 10.840 -5.843 2.788 1.00 0.00 C ATOM 0 H VAL A 73 11.194 -4.467 4.922 1.00 0.00 H new ATOM 0 HA VAL A 73 11.753 -7.109 5.022 1.00 0.00 H new ATOM 0 HB VAL A 73 12.811 -5.066 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 73 12.925 -6.947 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.016 -7.181 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.475 -8.068 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.821 -5.682 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.285 -6.749 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.381 -4.992 3.290 1.00 0.00 H new ATOM 1107 N SER A 74 14.549 -5.345 5.230 1.00 0.00 N ATOM 1108 CA SER A 74 15.955 -5.412 5.613 1.00 0.00 C ATOM 1109 C SER A 74 16.105 -5.418 7.131 1.00 0.00 C ATOM 1110 O SER A 74 15.499 -4.607 7.829 1.00 0.00 O ATOM 1111 CB SER A 74 16.724 -4.231 5.018 1.00 0.00 C ATOM 1112 OG SER A 74 18.117 -4.364 5.241 1.00 0.00 O ATOM 0 H SER A 74 14.219 -4.408 4.996 1.00 0.00 H new ATOM 0 HA SER A 74 16.369 -6.341 5.221 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.528 -4.168 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.369 -3.301 5.462 1.00 0.00 H new ATOM 0 HG SER A 74 18.586 -3.597 4.850 1.00 0.00 H new ATOM 1118 N GLY A 75 16.919 -6.341 7.635 1.00 0.00 N ATOM 1119 CA GLY A 75 17.135 -6.437 9.067 1.00 0.00 C ATOM 1120 C GLY A 75 17.752 -7.761 9.473 1.00 0.00 C ATOM 1121 O GLY A 75 18.457 -8.405 8.696 1.00 0.00 O ATOM 0 H GLY A 75 17.432 -7.024 7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.785 -5.623 9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.184 -6.309 9.584 1.00 0.00 H new ATOM 1125 N PRO A 76 17.489 -8.184 10.718 1.00 0.00 N ATOM 1126 CA PRO A 76 18.016 -9.442 11.254 1.00 0.00 C ATOM 1127 C PRO A 76 17.378 -10.663 10.599 1.00 0.00 C ATOM 1128 O PRO A 76 18.008 -11.713 10.477 1.00 0.00 O ATOM 1129 CB PRO A 76 17.646 -9.378 12.738 1.00 0.00 C ATOM 1130 CG PRO A 76 16.462 -8.476 12.795 1.00 0.00 C ATOM 1131 CD PRO A 76 16.657 -7.466 11.698 1.00 0.00 C ATOM 0 HA PRO A 76 19.085 -9.547 11.071 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.409 -10.367 13.130 1.00 0.00 H new ATOM 0 HB3 PRO A 76 18.470 -8.988 13.335 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.538 -9.036 12.650 1.00 0.00 H new ATOM 0 HG3 PRO A 76 16.390 -7.988 13.767 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.706 -7.153 11.266 1.00 0.00 H new ATOM 0 HD3 PRO A 76 17.152 -6.566 12.063 1.00 0.00 H new ATOM 1139 N SER A 77 16.125 -10.517 10.180 1.00 0.00 N ATOM 1140 CA SER A 77 15.401 -11.610 9.540 1.00 0.00 C ATOM 1141 C SER A 77 15.774 -11.718 8.065 1.00 0.00 C ATOM 1142 O SER A 77 16.512 -10.886 7.537 1.00 0.00 O ATOM 1143 CB SER A 77 13.892 -11.402 9.683 1.00 0.00 C ATOM 1144 OG SER A 77 13.428 -11.875 10.935 1.00 0.00 O ATOM 0 H SER A 77 15.590 -9.653 10.272 1.00 0.00 H new ATOM 0 HA SER A 77 15.681 -12.539 10.036 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.657 -10.343 9.581 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.372 -11.923 8.879 1.00 0.00 H new ATOM 0 HG SER A 77 12.461 -11.729 11.002 1.00 0.00 H new ATOM 1150 N SER A 78 15.259 -12.751 7.405 1.00 0.00 N ATOM 1151 CA SER A 78 15.541 -12.972 5.992 1.00 0.00 C ATOM 1152 C SER A 78 14.687 -12.057 5.118 1.00 0.00 C ATOM 1153 O SER A 78 13.483 -11.922 5.333 1.00 0.00 O ATOM 1154 CB SER A 78 15.284 -14.434 5.622 1.00 0.00 C ATOM 1155 OG SER A 78 13.895 -14.706 5.552 1.00 0.00 O ATOM 0 H SER A 78 14.645 -13.448 7.827 1.00 0.00 H new ATOM 0 HA SER A 78 16.591 -12.739 5.815 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.750 -14.657 4.662 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.749 -15.087 6.361 1.00 0.00 H new ATOM 0 HG SER A 78 13.396 -13.862 5.544 1.00 0.00 H new ATOM 1161 N GLY A 79 15.321 -11.431 4.132 1.00 0.00 N ATOM 1162 CA GLY A 79 14.606 -10.536 3.240 1.00 0.00 C ATOM 1163 C GLY A 79 13.478 -11.232 2.504 1.00 0.00 C ATOM 1164 O GLY A 79 13.522 -11.310 1.278 1.00 0.00 O ATOM 0 H GLY A 79 16.317 -11.527 3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.202 -9.702 3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.304 -10.116 2.516 1.00 0.00 H new TER 1168 GLY A 79 HETATM 1169 ZN ZN A 201 -11.047 -0.400 3.446 1.00 0.00 ZN HETATM 1170 ZN ZN A 401 4.738 3.939 5.574 1.00 0.00 ZN