USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 813 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 Set 1.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 42 GLN : amide:sc= -3.29 K(o=-3.3,f=-0.33) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -90:sc= -1.15 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -115:sc= 0.081 USER MOD Single : A 19 GLN : amide:sc= -1.46 K(o=-1.5,f=-0.15) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 7:sc= 0.642 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= -0.12 (180deg=-0.644) USER MOD Single : A 31 GLN : amide:sc= 1.1 K(o=1.1,f=-0.035) USER MOD Single : A 33 SER OG : rot -145:sc= 1.57 USER MOD Single : A 35 MET CE :methyl -154:sc= -0.973 (180deg=-3.73!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.679) USER MOD Single : A 38 LYS NZ :NH3+ -124:sc= -3.09! (180deg=-3.81!) USER MOD Single : A 40 SER OG : rot -49:sc= -0.0364 USER MOD Single : A 41 SER OG : rot -30:sc= 0.194 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.351 K(o=-0.35,f=-0.99) USER MOD Single : A 54 GLN : amide:sc= -1.9 K(o=-1.9,f=-5.1!) USER MOD Single : A 55 SER OG : rot 3:sc= 0.233! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.87 K(o=-0.87,f=-0.12) USER MOD Single : A 72 SER OG : rot -49:sc= 0.00476 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -91:sc= 0.423 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -49:sc= 1.16 USER MOD Single : A 91 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -5.22 K(o=-5.2,f=-11!) USER MOD Single : A 105 MET CE :methyl -136:sc= -0.533 (180deg=-1) USER MOD Single : A 107 GLN : amide:sc= -3.94 K(o=-3.9,f=-2.7!) USER MOD Single : A 108 SER OG : rot -65:sc= 0.601 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.872 -1.576 0.568 1.00 0.00 N ATOM 2 CA SER A 1 1.702 -0.956 -0.741 1.00 0.00 C ATOM 3 C SER A 1 1.759 -2.002 -1.850 1.00 0.00 C ATOM 4 O SER A 1 0.844 -2.109 -2.667 1.00 0.00 O ATOM 5 CB SER A 1 2.780 0.106 -0.969 1.00 0.00 C ATOM 6 OG SER A 1 2.624 1.192 -0.073 1.00 0.00 O ATOM 0 H1 SER A 1 1.830 -0.845 1.307 1.00 0.00 H new ATOM 0 H2 SER A 1 1.114 -2.270 0.724 1.00 0.00 H new ATOM 0 H3 SER A 1 2.794 -2.055 0.608 1.00 0.00 H new ATOM 0 HA SER A 1 0.722 -0.480 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.766 -0.339 -0.838 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.727 0.467 -1.996 1.00 0.00 H new ATOM 0 HG SER A 1 3.326 1.856 -0.238 1.00 0.00 H new ATOM 12 N LEU A 2 2.842 -2.772 -1.872 1.00 0.00 N ATOM 13 CA LEU A 2 3.020 -3.811 -2.880 1.00 0.00 C ATOM 14 C LEU A 2 1.777 -4.688 -2.985 1.00 0.00 C ATOM 15 O LEU A 2 1.246 -4.905 -4.075 1.00 0.00 O ATOM 16 CB LEU A 2 4.238 -4.673 -2.542 1.00 0.00 C ATOM 17 CG LEU A 2 4.308 -6.036 -3.232 1.00 0.00 C ATOM 18 CD1 LEU A 2 4.201 -5.877 -4.740 1.00 0.00 C ATOM 19 CD2 LEU A 2 5.596 -6.757 -2.859 1.00 0.00 C ATOM 0 H LEU A 2 3.609 -2.696 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 2 3.181 -3.325 -3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.137 -4.112 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.257 -4.832 -1.464 1.00 0.00 H new ATOM 0 HG LEU A 2 3.466 -6.638 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.253 -6.857 -5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.252 -5.403 -4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.022 -5.256 -5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.629 -7.725 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.452 -6.158 -3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.631 -6.905 -1.780 1.00 0.00 H new ATOM 31 N THR A 3 1.313 -5.189 -1.844 1.00 0.00 N ATOM 32 CA THR A 3 0.131 -6.041 -1.807 1.00 0.00 C ATOM 33 C THR A 3 -1.077 -5.281 -1.273 1.00 0.00 C ATOM 34 O THR A 3 -1.857 -5.812 -0.482 1.00 0.00 O ATOM 35 CB THR A 3 0.365 -7.288 -0.935 1.00 0.00 C ATOM 36 OG1 THR A 3 0.380 -6.923 0.450 1.00 0.00 O ATOM 37 CG2 THR A 3 1.678 -7.965 -1.299 1.00 0.00 C ATOM 0 H THR A 3 1.739 -5.019 -0.933 1.00 0.00 H new ATOM 0 HA THR A 3 -0.065 -6.355 -2.832 1.00 0.00 H new ATOM 0 HB THR A 3 -0.450 -7.988 -1.117 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.296 -6.703 0.720 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.821 -8.843 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.653 -8.269 -2.346 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.502 -7.269 -1.143 1.00 0.00 H new ATOM 45 N ASP A 4 -1.228 -4.036 -1.712 1.00 0.00 N ATOM 46 CA ASP A 4 -2.344 -3.203 -1.279 1.00 0.00 C ATOM 47 C ASP A 4 -3.633 -3.610 -1.987 1.00 0.00 C ATOM 48 O ASP A 4 -4.601 -4.020 -1.347 1.00 0.00 O ATOM 49 CB ASP A 4 -2.043 -1.728 -1.549 1.00 0.00 C ATOM 50 CG ASP A 4 -3.104 -0.806 -0.981 1.00 0.00 C ATOM 51 OD1 ASP A 4 -3.363 -0.880 0.239 1.00 0.00 O ATOM 52 OD2 ASP A 4 -3.675 -0.011 -1.756 1.00 0.00 O ATOM 0 H ASP A 4 -0.592 -3.582 -2.367 1.00 0.00 H new ATOM 0 HA ASP A 4 -2.478 -3.348 -0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.075 -1.473 -1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.964 -1.567 -2.624 1.00 0.00 H new ATOM 57 N ILE A 5 -3.636 -3.492 -3.311 1.00 0.00 N ATOM 58 CA ILE A 5 -4.806 -3.847 -4.106 1.00 0.00 C ATOM 59 C ILE A 5 -5.108 -5.338 -4.001 1.00 0.00 C ATOM 60 O ILE A 5 -6.240 -5.770 -4.224 1.00 0.00 O ATOM 61 CB ILE A 5 -4.613 -3.477 -5.588 1.00 0.00 C ATOM 62 CG1 ILE A 5 -5.946 -3.053 -6.208 1.00 0.00 C ATOM 63 CG2 ILE A 5 -4.014 -4.648 -6.353 1.00 0.00 C ATOM 64 CD1 ILE A 5 -6.084 -1.557 -6.380 1.00 0.00 C ATOM 0 H ILE A 5 -2.842 -3.154 -3.855 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.645 -3.279 -3.705 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.922 -2.637 -5.651 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.054 -3.534 -7.180 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.761 -3.415 -5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.884 -4.371 -7.399 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.046 -4.907 -5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.682 -5.507 -6.286 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.053 -1.330 -6.825 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.008 -1.070 -5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.291 -1.191 -7.032 1.00 0.00 H new ATOM 76 N LEU A 6 -4.091 -6.121 -3.660 1.00 0.00 N ATOM 77 CA LEU A 6 -4.248 -7.564 -3.523 1.00 0.00 C ATOM 78 C LEU A 6 -4.014 -8.004 -2.081 1.00 0.00 C ATOM 79 O LEU A 6 -3.947 -7.176 -1.173 1.00 0.00 O ATOM 80 CB LEU A 6 -3.276 -8.293 -4.454 1.00 0.00 C ATOM 81 CG LEU A 6 -3.887 -9.367 -5.355 1.00 0.00 C ATOM 82 CD1 LEU A 6 -4.283 -8.774 -6.698 1.00 0.00 C ATOM 83 CD2 LEU A 6 -2.914 -10.521 -5.544 1.00 0.00 C ATOM 0 H LEU A 6 -3.148 -5.780 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.270 -7.821 -3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.786 -7.553 -5.086 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.500 -8.757 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.785 -9.752 -4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.716 -9.553 -7.326 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.016 -7.982 -6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.401 -8.361 -7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.365 -11.276 -6.188 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.997 -10.152 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.681 -10.963 -4.575 1.00 0.00 H new ATOM 95 N SER A 7 -3.890 -9.312 -1.879 1.00 0.00 N ATOM 96 CA SER A 7 -3.666 -9.861 -0.547 1.00 0.00 C ATOM 97 C SER A 7 -2.323 -10.582 -0.476 1.00 0.00 C ATOM 98 O SER A 7 -2.058 -11.531 -1.214 1.00 0.00 O ATOM 99 CB SER A 7 -4.794 -10.825 -0.173 1.00 0.00 C ATOM 100 OG SER A 7 -4.917 -10.945 1.233 1.00 0.00 O ATOM 0 H SER A 7 -3.941 -10.011 -2.620 1.00 0.00 H new ATOM 0 HA SER A 7 -3.654 -9.034 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.735 -10.470 -0.594 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.599 -11.805 -0.609 1.00 0.00 H new ATOM 0 HG SER A 7 -5.645 -11.565 1.446 1.00 0.00 H new ATOM 106 N PRO A 8 -1.453 -10.120 0.435 1.00 0.00 N ATOM 107 CA PRO A 8 -0.122 -10.705 0.626 1.00 0.00 C ATOM 108 C PRO A 8 -0.184 -12.096 1.247 1.00 0.00 C ATOM 109 O PRO A 8 0.826 -12.794 1.331 1.00 0.00 O ATOM 110 CB PRO A 8 0.563 -9.724 1.581 1.00 0.00 C ATOM 111 CG PRO A 8 -0.555 -9.070 2.318 1.00 0.00 C ATOM 112 CD PRO A 8 -1.701 -8.992 1.348 1.00 0.00 C ATOM 0 HA PRO A 8 0.404 -10.839 -0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.238 -10.241 2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.160 -8.992 1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.830 -9.646 3.201 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.267 -8.077 2.662 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.662 -9.088 1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.714 -8.040 0.817 1.00 0.00 H new ATOM 120 N SER A 9 -1.377 -12.494 1.680 1.00 0.00 N ATOM 121 CA SER A 9 -1.570 -13.801 2.296 1.00 0.00 C ATOM 122 C SER A 9 -1.788 -14.875 1.234 1.00 0.00 C ATOM 123 O SER A 9 -2.063 -16.032 1.553 1.00 0.00 O ATOM 124 CB SER A 9 -2.761 -13.766 3.254 1.00 0.00 C ATOM 125 OG SER A 9 -2.561 -12.812 4.283 1.00 0.00 O ATOM 0 H SER A 9 -2.224 -11.929 1.615 1.00 0.00 H new ATOM 0 HA SER A 9 -0.669 -14.047 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.669 -13.524 2.701 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.908 -14.753 3.693 1.00 0.00 H new ATOM 0 HG SER A 9 -3.337 -12.808 4.881 1.00 0.00 H new ATOM 131 N ASP A 10 -1.663 -14.483 -0.029 1.00 0.00 N ATOM 132 CA ASP A 10 -1.846 -15.411 -1.139 1.00 0.00 C ATOM 133 C ASP A 10 -0.612 -15.433 -2.037 1.00 0.00 C ATOM 134 O ASP A 10 -0.251 -16.475 -2.585 1.00 0.00 O ATOM 135 CB ASP A 10 -3.080 -15.026 -1.956 1.00 0.00 C ATOM 136 CG ASP A 10 -4.362 -15.574 -1.360 1.00 0.00 C ATOM 137 OD1 ASP A 10 -4.301 -16.166 -0.262 1.00 0.00 O ATOM 138 OD2 ASP A 10 -5.427 -15.409 -1.992 1.00 0.00 O ATOM 0 H ASP A 10 -1.436 -13.529 -0.310 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.991 -16.409 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -3.147 -13.940 -2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.968 -15.397 -2.975 1.00 0.00 H new ATOM 143 N ILE A 11 0.028 -14.278 -2.183 1.00 0.00 N ATOM 144 CA ILE A 11 1.220 -14.166 -3.014 1.00 0.00 C ATOM 145 C ILE A 11 2.347 -15.043 -2.481 1.00 0.00 C ATOM 146 O ILE A 11 3.171 -15.545 -3.244 1.00 0.00 O ATOM 147 CB ILE A 11 1.713 -12.709 -3.097 1.00 0.00 C ATOM 148 CG1 ILE A 11 0.617 -11.808 -3.669 1.00 0.00 C ATOM 149 CG2 ILE A 11 2.973 -12.624 -3.944 1.00 0.00 C ATOM 150 CD1 ILE A 11 0.564 -10.439 -3.029 1.00 0.00 C ATOM 0 H ILE A 11 -0.259 -13.407 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 11 0.942 -14.504 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 11 1.951 -12.364 -2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.776 -11.693 -4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.348 -12.298 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.309 -11.588 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.754 -13.238 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.760 -12.985 -4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.236 -9.855 -3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.374 -10.544 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.516 -9.930 -3.180 1.00 0.00 H new ATOM 162 N ALA A 12 2.375 -15.225 -1.164 1.00 0.00 N ATOM 163 CA ALA A 12 3.398 -16.045 -0.528 1.00 0.00 C ATOM 164 C ALA A 12 3.176 -17.525 -0.821 1.00 0.00 C ATOM 165 O ALA A 12 4.128 -18.300 -0.912 1.00 0.00 O ATOM 166 CB ALA A 12 3.415 -15.799 0.973 1.00 0.00 C ATOM 0 H ALA A 12 1.701 -14.815 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 12 4.365 -15.760 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.184 -16.418 1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.630 -14.748 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.443 -16.054 1.394 1.00 0.00 H new ATOM 172 N ALA A 13 1.913 -17.912 -0.966 1.00 0.00 N ATOM 173 CA ALA A 13 1.566 -19.299 -1.250 1.00 0.00 C ATOM 174 C ALA A 13 2.173 -19.758 -2.571 1.00 0.00 C ATOM 175 O ALA A 13 2.314 -20.955 -2.818 1.00 0.00 O ATOM 176 CB ALA A 13 0.054 -19.470 -1.274 1.00 0.00 C ATOM 0 H ALA A 13 1.113 -17.284 -0.891 1.00 0.00 H new ATOM 0 HA ALA A 13 1.979 -19.921 -0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.191 -20.510 -1.487 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.359 -19.191 -0.305 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.372 -18.831 -2.047 1.00 0.00 H new ATOM 182 N ALA A 14 2.531 -18.797 -3.418 1.00 0.00 N ATOM 183 CA ALA A 14 3.124 -19.104 -4.713 1.00 0.00 C ATOM 184 C ALA A 14 4.647 -19.050 -4.646 1.00 0.00 C ATOM 185 O ALA A 14 5.333 -19.938 -5.154 1.00 0.00 O ATOM 186 CB ALA A 14 2.606 -18.141 -5.772 1.00 0.00 C ATOM 0 H ALA A 14 2.420 -17.801 -3.230 1.00 0.00 H new ATOM 0 HA ALA A 14 2.834 -20.118 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.057 -18.382 -6.735 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.522 -18.231 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.867 -17.120 -5.494 1.00 0.00 H new ATOM 192 N LEU A 15 5.170 -18.003 -4.018 1.00 0.00 N ATOM 193 CA LEU A 15 6.613 -17.833 -3.885 1.00 0.00 C ATOM 194 C LEU A 15 7.251 -19.066 -3.254 1.00 0.00 C ATOM 195 O LEU A 15 8.421 -19.363 -3.494 1.00 0.00 O ATOM 196 CB LEU A 15 6.924 -16.596 -3.041 1.00 0.00 C ATOM 197 CG LEU A 15 6.613 -15.246 -3.688 1.00 0.00 C ATOM 198 CD1 LEU A 15 6.937 -14.108 -2.732 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.386 -15.087 -4.989 1.00 0.00 C ATOM 0 H LEU A 15 4.617 -17.259 -3.593 1.00 0.00 H new ATOM 0 HA LEU A 15 7.032 -17.700 -4.882 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.364 -16.667 -2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.982 -16.616 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 15 5.547 -15.211 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.709 -13.155 -3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.339 -14.212 -1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.995 -14.140 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.152 -14.120 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.455 -15.144 -4.786 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.105 -15.883 -5.679 1.00 0.00 H new ATOM 211 N ARG A 16 6.473 -19.782 -2.449 1.00 0.00 N ATOM 212 CA ARG A 16 6.961 -20.985 -1.785 1.00 0.00 C ATOM 213 C ARG A 16 6.753 -22.214 -2.664 1.00 0.00 C ATOM 214 O ARG A 16 7.704 -22.924 -2.992 1.00 0.00 O ATOM 215 CB ARG A 16 6.251 -21.177 -0.444 1.00 0.00 C ATOM 216 CG ARG A 16 6.701 -22.417 0.311 1.00 0.00 C ATOM 217 CD ARG A 16 5.859 -23.629 -0.056 1.00 0.00 C ATOM 218 NE ARG A 16 5.904 -24.660 0.978 1.00 0.00 N ATOM 219 CZ ARG A 16 5.333 -25.853 0.852 1.00 0.00 C ATOM 220 NH1 ARG A 16 4.677 -26.163 -0.257 1.00 0.00 N ATOM 221 NH2 ARG A 16 5.417 -26.738 1.837 1.00 0.00 N ATOM 0 H ARG A 16 5.502 -19.550 -2.241 1.00 0.00 H new ATOM 0 HA ARG A 16 8.030 -20.864 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.425 -20.300 0.179 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.176 -21.237 -0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.749 -22.620 0.088 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.632 -22.236 1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.826 -23.319 -0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.214 -24.045 -0.999 1.00 0.00 H new ATOM 0 HE ARG A 16 6.401 -24.453 1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.610 -25.485 -1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.239 -27.080 -0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.920 -26.503 2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.978 -27.654 1.739 1.00 0.00 H new ATOM 235 N ASP A 17 5.504 -22.460 -3.042 1.00 0.00 N ATOM 236 CA ASP A 17 5.170 -23.603 -3.884 1.00 0.00 C ATOM 237 C ASP A 17 6.040 -23.628 -5.137 1.00 0.00 C ATOM 238 O ASP A 17 6.514 -24.685 -5.554 1.00 0.00 O ATOM 239 CB ASP A 17 3.692 -23.561 -4.275 1.00 0.00 C ATOM 240 CG ASP A 17 3.113 -24.944 -4.500 1.00 0.00 C ATOM 241 OD1 ASP A 17 3.879 -25.928 -4.423 1.00 0.00 O ATOM 242 OD2 ASP A 17 1.894 -25.043 -4.752 1.00 0.00 O ATOM 0 H ASP A 17 4.705 -21.883 -2.779 1.00 0.00 H new ATOM 0 HA ASP A 17 5.361 -24.512 -3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.126 -23.056 -3.492 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.576 -22.970 -5.183 1.00 0.00 H new ATOM 247 N CYS A 18 6.245 -22.458 -5.732 1.00 0.00 N ATOM 248 CA CYS A 18 7.057 -22.346 -6.938 1.00 0.00 C ATOM 249 C CYS A 18 8.415 -21.727 -6.624 1.00 0.00 C ATOM 250 O CYS A 18 9.057 -21.142 -7.496 1.00 0.00 O ATOM 251 CB CYS A 18 6.331 -21.506 -7.990 1.00 0.00 C ATOM 252 SG CYS A 18 4.720 -22.166 -8.479 1.00 0.00 S ATOM 0 H CYS A 18 5.860 -21.574 -5.399 1.00 0.00 H new ATOM 0 HA CYS A 18 7.218 -23.349 -7.332 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.196 -20.496 -7.603 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.963 -21.426 -8.875 1.00 0.00 H new ATOM 0 HG CYS A 18 4.753 -22.506 -9.733 1.00 0.00 H new ATOM 258 N GLN A 19 8.845 -21.859 -5.373 1.00 0.00 N ATOM 259 CA GLN A 19 10.125 -21.310 -4.944 1.00 0.00 C ATOM 260 C GLN A 19 11.272 -21.903 -5.757 1.00 0.00 C ATOM 261 O GLN A 19 12.350 -21.317 -5.847 1.00 0.00 O ATOM 262 CB GLN A 19 10.347 -21.580 -3.455 1.00 0.00 C ATOM 263 CG GLN A 19 10.716 -23.023 -3.147 1.00 0.00 C ATOM 264 CD GLN A 19 10.947 -23.263 -1.668 1.00 0.00 C ATOM 265 OE1 GLN A 19 11.968 -23.825 -1.270 1.00 0.00 O ATOM 266 NE2 GLN A 19 9.998 -22.836 -0.843 1.00 0.00 N ATOM 0 H GLN A 19 8.326 -22.341 -4.640 1.00 0.00 H new ATOM 0 HA GLN A 19 10.104 -20.233 -5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.138 -20.925 -3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.441 -21.321 -2.908 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.921 -23.680 -3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.617 -23.290 -3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.168 -22.375 -1.216 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.099 -22.969 0.163 1.00 0.00 H new ATOM 275 N ALA A 20 11.031 -23.070 -6.345 1.00 0.00 N ATOM 276 CA ALA A 20 12.043 -23.742 -7.152 1.00 0.00 C ATOM 277 C ALA A 20 12.282 -23.000 -8.462 1.00 0.00 C ATOM 278 O ALA A 20 11.452 -22.214 -8.919 1.00 0.00 O ATOM 279 CB ALA A 20 11.630 -25.181 -7.425 1.00 0.00 C ATOM 0 H ALA A 20 10.144 -23.570 -6.278 1.00 0.00 H new ATOM 0 HA ALA A 20 12.978 -23.744 -6.591 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.394 -25.671 -8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.518 -25.713 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.682 -25.192 -7.962 1.00 0.00 H new ATOM 285 N PRO A 21 13.443 -23.254 -9.083 1.00 0.00 N ATOM 286 CA PRO A 21 13.818 -22.619 -10.351 1.00 0.00 C ATOM 287 C PRO A 21 12.972 -23.114 -11.519 1.00 0.00 C ATOM 288 O PRO A 21 12.690 -24.307 -11.632 1.00 0.00 O ATOM 289 CB PRO A 21 15.280 -23.034 -10.536 1.00 0.00 C ATOM 290 CG PRO A 21 15.414 -24.303 -9.768 1.00 0.00 C ATOM 291 CD PRO A 21 14.479 -24.180 -8.597 1.00 0.00 C ATOM 0 HA PRO A 21 13.666 -21.540 -10.327 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.519 -23.182 -11.589 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.959 -22.269 -10.159 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.154 -25.162 -10.386 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.441 -24.450 -9.433 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.056 -25.145 -8.317 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.987 -23.788 -7.716 1.00 0.00 H new ATOM 299 N ASP A 22 12.571 -22.190 -12.386 1.00 0.00 N ATOM 300 CA ASP A 22 11.759 -22.533 -13.547 1.00 0.00 C ATOM 301 C ASP A 22 10.417 -23.120 -13.118 1.00 0.00 C ATOM 302 O ASP A 22 9.779 -23.853 -13.873 1.00 0.00 O ATOM 303 CB ASP A 22 12.502 -23.528 -14.440 1.00 0.00 C ATOM 304 CG ASP A 22 12.023 -23.484 -15.878 1.00 0.00 C ATOM 305 OD1 ASP A 22 10.898 -22.997 -16.114 1.00 0.00 O ATOM 306 OD2 ASP A 22 12.773 -23.938 -16.768 1.00 0.00 O ATOM 0 H ASP A 22 12.795 -21.198 -12.306 1.00 0.00 H new ATOM 0 HA ASP A 22 11.572 -21.619 -14.111 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.570 -23.313 -14.409 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.368 -24.536 -14.046 1.00 0.00 H new ATOM 311 N SER A 23 9.996 -22.792 -11.900 1.00 0.00 N ATOM 312 CA SER A 23 8.733 -23.290 -11.369 1.00 0.00 C ATOM 313 C SER A 23 7.753 -22.144 -11.133 1.00 0.00 C ATOM 314 O SER A 23 6.543 -22.355 -11.045 1.00 0.00 O ATOM 315 CB SER A 23 8.970 -24.050 -10.062 1.00 0.00 C ATOM 316 OG SER A 23 7.942 -24.997 -9.830 1.00 0.00 O ATOM 0 H SER A 23 10.511 -22.184 -11.263 1.00 0.00 H new ATOM 0 HA SER A 23 8.301 -23.969 -12.104 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.934 -24.557 -10.102 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.015 -23.346 -9.231 1.00 0.00 H new ATOM 0 HG SER A 23 8.117 -25.471 -8.990 1.00 0.00 H new ATOM 322 N PHE A 24 8.285 -20.930 -11.033 1.00 0.00 N ATOM 323 CA PHE A 24 7.459 -19.750 -10.806 1.00 0.00 C ATOM 324 C PHE A 24 7.303 -18.942 -12.091 1.00 0.00 C ATOM 325 O PHE A 24 8.194 -18.926 -12.940 1.00 0.00 O ATOM 326 CB PHE A 24 8.072 -18.875 -9.711 1.00 0.00 C ATOM 327 CG PHE A 24 7.387 -17.548 -9.551 1.00 0.00 C ATOM 328 CD1 PHE A 24 6.099 -17.475 -9.045 1.00 0.00 C ATOM 329 CD2 PHE A 24 8.030 -16.374 -9.906 1.00 0.00 C ATOM 330 CE1 PHE A 24 5.465 -16.255 -8.896 1.00 0.00 C ATOM 331 CE2 PHE A 24 7.402 -15.151 -9.758 1.00 0.00 C ATOM 332 CZ PHE A 24 6.118 -15.092 -9.254 1.00 0.00 C ATOM 0 H PHE A 24 9.284 -20.738 -11.106 1.00 0.00 H new ATOM 0 HA PHE A 24 6.472 -20.083 -10.484 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.033 -19.412 -8.763 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.125 -18.707 -9.938 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.584 -18.382 -8.764 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.034 -16.414 -10.303 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.461 -16.212 -8.500 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.916 -14.243 -10.036 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.625 -14.138 -9.140 1.00 0.00 H new ATOM 342 N SER A 25 6.163 -18.271 -12.226 1.00 0.00 N ATOM 343 CA SER A 25 5.887 -17.464 -13.408 1.00 0.00 C ATOM 344 C SER A 25 4.783 -16.448 -13.127 1.00 0.00 C ATOM 345 O SER A 25 3.963 -16.618 -12.225 1.00 0.00 O ATOM 346 CB SER A 25 5.483 -18.360 -14.581 1.00 0.00 C ATOM 347 OG SER A 25 6.608 -19.034 -15.118 1.00 0.00 O ATOM 0 H SER A 25 5.416 -18.271 -11.531 1.00 0.00 H new ATOM 0 HA SER A 25 6.797 -16.924 -13.669 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.743 -19.088 -14.249 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.011 -17.758 -15.357 1.00 0.00 H new ATOM 0 HG SER A 25 7.390 -18.870 -14.550 1.00 0.00 H new ATOM 353 N PRO A 26 4.762 -15.365 -13.918 1.00 0.00 N ATOM 354 CA PRO A 26 3.765 -14.300 -13.774 1.00 0.00 C ATOM 355 C PRO A 26 2.369 -14.752 -14.190 1.00 0.00 C ATOM 356 O PRO A 26 1.371 -14.357 -13.587 1.00 0.00 O ATOM 357 CB PRO A 26 4.275 -13.207 -14.716 1.00 0.00 C ATOM 358 CG PRO A 26 5.087 -13.932 -15.733 1.00 0.00 C ATOM 359 CD PRO A 26 5.709 -15.097 -15.013 1.00 0.00 C ATOM 0 HA PRO A 26 3.662 -13.976 -12.738 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.449 -12.667 -15.180 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.876 -12.472 -14.181 1.00 0.00 H new ATOM 0 HG2 PRO A 26 4.464 -14.272 -16.560 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.852 -13.282 -16.157 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.821 -15.961 -15.668 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.702 -14.853 -14.635 1.00 0.00 H new ATOM 367 N LYS A 27 2.306 -15.584 -15.225 1.00 0.00 N ATOM 368 CA LYS A 27 1.033 -16.092 -15.721 1.00 0.00 C ATOM 369 C LYS A 27 0.671 -17.409 -15.042 1.00 0.00 C ATOM 370 O LYS A 27 -0.045 -18.236 -15.609 1.00 0.00 O ATOM 371 CB LYS A 27 1.095 -16.288 -17.238 1.00 0.00 C ATOM 372 CG LYS A 27 2.132 -17.308 -17.677 1.00 0.00 C ATOM 373 CD LYS A 27 1.493 -18.467 -18.423 1.00 0.00 C ATOM 374 CE LYS A 27 0.930 -18.023 -19.765 1.00 0.00 C ATOM 375 NZ LYS A 27 0.480 -19.180 -20.588 1.00 0.00 N ATOM 0 H LYS A 27 3.122 -15.920 -15.736 1.00 0.00 H new ATOM 0 HA LYS A 27 0.261 -15.359 -15.487 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.114 -16.602 -17.596 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.316 -15.331 -17.711 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.870 -16.825 -18.317 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.665 -17.685 -16.804 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.232 -19.252 -18.579 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.695 -18.896 -17.817 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.092 -17.346 -19.601 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.690 -17.463 -20.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.103 -18.836 -21.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.285 -19.813 -20.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.263 -19.700 -20.079 1.00 0.00 H new ATOM 389 N LYS A 28 1.168 -17.598 -13.824 1.00 0.00 N ATOM 390 CA LYS A 28 0.895 -18.813 -13.066 1.00 0.00 C ATOM 391 C LYS A 28 0.430 -18.479 -11.652 1.00 0.00 C ATOM 392 O LYS A 28 -0.451 -19.142 -11.104 1.00 0.00 O ATOM 393 CB LYS A 28 2.145 -19.694 -13.008 1.00 0.00 C ATOM 394 CG LYS A 28 2.260 -20.662 -14.173 1.00 0.00 C ATOM 395 CD LYS A 28 1.680 -22.023 -13.827 1.00 0.00 C ATOM 396 CE LYS A 28 0.198 -22.098 -14.163 1.00 0.00 C ATOM 397 NZ LYS A 28 -0.048 -21.956 -15.624 1.00 0.00 N ATOM 0 H LYS A 28 1.762 -16.925 -13.341 1.00 0.00 H new ATOM 0 HA LYS A 28 0.098 -19.356 -13.573 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.029 -19.056 -12.988 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.138 -20.259 -12.076 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.740 -20.253 -15.039 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.308 -20.773 -14.453 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.218 -22.798 -14.373 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.824 -22.222 -12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.205 -23.050 -13.818 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.336 -21.313 -13.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.956 -22.400 -15.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.078 -20.947 -15.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.718 -22.422 -16.152 1.00 0.00 H new ATOM 411 N PHE A 29 1.026 -17.445 -11.067 1.00 0.00 N ATOM 412 CA PHE A 29 0.673 -17.023 -9.716 1.00 0.00 C ATOM 413 C PHE A 29 -0.514 -16.065 -9.740 1.00 0.00 C ATOM 414 O PHE A 29 -1.099 -15.757 -8.701 1.00 0.00 O ATOM 415 CB PHE A 29 1.870 -16.353 -9.039 1.00 0.00 C ATOM 416 CG PHE A 29 1.954 -14.875 -9.294 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.209 -14.392 -10.567 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.776 -13.969 -8.261 1.00 0.00 C ATOM 419 CE1 PHE A 29 2.288 -13.033 -10.804 1.00 0.00 C ATOM 420 CE2 PHE A 29 1.853 -12.609 -8.492 1.00 0.00 C ATOM 421 CZ PHE A 29 2.108 -12.140 -9.766 1.00 0.00 C ATOM 0 H PHE A 29 1.755 -16.884 -11.507 1.00 0.00 H new ATOM 0 HA PHE A 29 0.392 -17.909 -9.146 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.813 -16.525 -7.964 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.787 -16.827 -9.389 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.348 -15.085 -11.383 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.575 -14.330 -7.263 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.490 -12.669 -11.801 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.714 -11.913 -7.678 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.166 -11.077 -9.950 1.00 0.00 H new ATOM 431 N PHE A 30 -0.865 -15.595 -10.933 1.00 0.00 N ATOM 432 CA PHE A 30 -1.981 -14.670 -11.092 1.00 0.00 C ATOM 433 C PHE A 30 -3.238 -15.213 -10.419 1.00 0.00 C ATOM 434 O PHE A 30 -4.054 -14.452 -9.901 1.00 0.00 O ATOM 435 CB PHE A 30 -2.253 -14.418 -12.577 1.00 0.00 C ATOM 436 CG PHE A 30 -2.862 -15.595 -13.284 1.00 0.00 C ATOM 437 CD1 PHE A 30 -2.088 -16.694 -13.619 1.00 0.00 C ATOM 438 CD2 PHE A 30 -4.207 -15.602 -13.613 1.00 0.00 C ATOM 439 CE1 PHE A 30 -2.645 -17.779 -14.270 1.00 0.00 C ATOM 440 CE2 PHE A 30 -4.770 -16.684 -14.262 1.00 0.00 C ATOM 441 CZ PHE A 30 -3.988 -17.774 -14.592 1.00 0.00 C ATOM 0 H PHE A 30 -0.393 -15.840 -11.803 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.712 -13.729 -10.613 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.919 -13.561 -12.676 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.317 -14.153 -13.069 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.037 -16.703 -13.369 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.823 -14.752 -13.359 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.031 -18.629 -14.526 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.821 -16.678 -14.511 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.426 -18.620 -15.101 1.00 0.00 H new ATOM 451 N GLN A 31 -3.385 -16.534 -10.431 1.00 0.00 N ATOM 452 CA GLN A 31 -4.542 -17.179 -9.823 1.00 0.00 C ATOM 453 C GLN A 31 -4.290 -17.470 -8.347 1.00 0.00 C ATOM 454 O GLN A 31 -5.215 -17.448 -7.533 1.00 0.00 O ATOM 455 CB GLN A 31 -4.876 -18.477 -10.561 1.00 0.00 C ATOM 456 CG GLN A 31 -3.932 -19.623 -10.234 1.00 0.00 C ATOM 457 CD GLN A 31 -3.747 -20.576 -11.398 1.00 0.00 C ATOM 458 OE1 GLN A 31 -4.719 -21.054 -11.985 1.00 0.00 O ATOM 459 NE2 GLN A 31 -2.496 -20.859 -11.739 1.00 0.00 N ATOM 0 H GLN A 31 -2.717 -17.178 -10.855 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.389 -16.497 -9.901 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.895 -18.774 -10.313 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.851 -18.292 -11.635 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.963 -19.219 -9.943 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.318 -20.174 -9.376 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.720 -20.441 -11.225 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.310 -21.495 -12.515 1.00 0.00 H new ATOM 468 N ILE A 32 -3.035 -17.743 -8.009 1.00 0.00 N ATOM 469 CA ILE A 32 -2.662 -18.037 -6.631 1.00 0.00 C ATOM 470 C ILE A 32 -2.753 -16.790 -5.758 1.00 0.00 C ATOM 471 O ILE A 32 -3.529 -16.743 -4.804 1.00 0.00 O ATOM 472 CB ILE A 32 -1.234 -18.609 -6.543 1.00 0.00 C ATOM 473 CG1 ILE A 32 -1.132 -19.909 -7.343 1.00 0.00 C ATOM 474 CG2 ILE A 32 -0.845 -18.842 -5.091 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.245 -20.159 -7.917 1.00 0.00 C ATOM 0 H ILE A 32 -2.259 -17.767 -8.670 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.367 -18.784 -6.267 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.541 -17.885 -6.972 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.405 -20.745 -6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.857 -19.883 -8.157 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.166 -19.246 -5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.883 -17.898 -4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.539 -19.549 -4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.243 -21.098 -8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.514 -19.342 -8.587 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.972 -20.217 -7.107 1.00 0.00 H new ATOM 487 N SER A 33 -1.955 -15.781 -6.093 1.00 0.00 N ATOM 488 CA SER A 33 -1.943 -14.533 -5.339 1.00 0.00 C ATOM 489 C SER A 33 -3.324 -13.885 -5.340 1.00 0.00 C ATOM 490 O SER A 33 -3.862 -13.541 -4.288 1.00 0.00 O ATOM 491 CB SER A 33 -0.913 -13.567 -5.927 1.00 0.00 C ATOM 492 OG SER A 33 -1.060 -13.458 -7.332 1.00 0.00 O ATOM 0 H SER A 33 -1.308 -15.803 -6.882 1.00 0.00 H new ATOM 0 HA SER A 33 -1.669 -14.762 -4.309 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.028 -12.585 -5.469 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.093 -13.914 -5.689 1.00 0.00 H new ATOM 0 HG SER A 33 -0.178 -13.349 -7.746 1.00 0.00 H new ATOM 498 N GLY A 34 -3.893 -13.721 -6.530 1.00 0.00 N ATOM 499 CA GLY A 34 -5.207 -13.115 -6.647 1.00 0.00 C ATOM 500 C GLY A 34 -5.227 -11.961 -7.630 1.00 0.00 C ATOM 501 O GLY A 34 -5.987 -11.007 -7.462 1.00 0.00 O ATOM 0 H GLY A 34 -3.468 -13.997 -7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.926 -13.871 -6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.529 -12.760 -5.668 1.00 0.00 H new ATOM 505 N MET A 35 -4.388 -12.046 -8.657 1.00 0.00 N ATOM 506 CA MET A 35 -4.313 -11.000 -9.670 1.00 0.00 C ATOM 507 C MET A 35 -5.389 -11.194 -10.734 1.00 0.00 C ATOM 508 O MET A 35 -5.726 -10.264 -11.466 1.00 0.00 O ATOM 509 CB MET A 35 -2.930 -10.992 -10.324 1.00 0.00 C ATOM 510 CG MET A 35 -1.829 -10.476 -9.412 1.00 0.00 C ATOM 511 SD MET A 35 -0.491 -9.677 -10.319 1.00 0.00 S ATOM 512 CE MET A 35 -0.183 -10.888 -11.603 1.00 0.00 C ATOM 0 H MET A 35 -3.751 -12.828 -8.810 1.00 0.00 H new ATOM 0 HA MET A 35 -4.481 -10.042 -9.179 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.682 -12.005 -10.642 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.965 -10.375 -11.222 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.254 -9.768 -8.701 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.425 -11.306 -8.832 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.848 -10.802 -11.945 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.351 -11.889 -11.207 1.00 0.00 H new ATOM 0 HE3 MET A 35 -0.858 -10.711 -12.440 1.00 0.00 H new ATOM 522 N SER A 36 -5.926 -12.407 -10.812 1.00 0.00 N ATOM 523 CA SER A 36 -6.962 -12.724 -11.788 1.00 0.00 C ATOM 524 C SER A 36 -8.116 -11.730 -11.697 1.00 0.00 C ATOM 525 O SER A 36 -8.750 -11.403 -12.701 1.00 0.00 O ATOM 526 CB SER A 36 -7.480 -14.146 -11.570 1.00 0.00 C ATOM 527 OG SER A 36 -8.425 -14.189 -10.515 1.00 0.00 O ATOM 0 H SER A 36 -5.661 -13.187 -10.211 1.00 0.00 H new ATOM 0 HA SER A 36 -6.523 -12.654 -12.783 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.938 -14.514 -12.488 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.646 -14.809 -11.342 1.00 0.00 H new ATOM 0 HG SER A 36 -8.742 -15.109 -10.397 1.00 0.00 H new ATOM 533 N LYS A 37 -8.383 -11.252 -10.487 1.00 0.00 N ATOM 534 CA LYS A 37 -9.459 -10.295 -10.262 1.00 0.00 C ATOM 535 C LYS A 37 -9.167 -8.973 -10.964 1.00 0.00 C ATOM 536 O LYS A 37 -10.081 -8.280 -11.411 1.00 0.00 O ATOM 537 CB LYS A 37 -9.652 -10.056 -8.762 1.00 0.00 C ATOM 538 CG LYS A 37 -9.825 -11.334 -7.960 1.00 0.00 C ATOM 539 CD LYS A 37 -10.370 -11.050 -6.570 1.00 0.00 C ATOM 540 CE LYS A 37 -9.254 -10.725 -5.590 1.00 0.00 C ATOM 541 NZ LYS A 37 -8.888 -9.282 -5.625 1.00 0.00 N ATOM 0 H LYS A 37 -7.868 -11.512 -9.646 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.376 -10.713 -10.678 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.792 -9.508 -8.376 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.526 -9.422 -8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.502 -12.007 -8.487 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.866 -11.846 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.070 -10.216 -6.616 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.929 -11.915 -6.213 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.566 -10.996 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.377 -11.328 -5.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.869 -9.187 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.421 -8.807 -6.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.119 -8.843 -4.711 1.00 0.00 H new ATOM 555 N LYS A 38 -7.887 -8.629 -11.060 1.00 0.00 N ATOM 556 CA LYS A 38 -7.473 -7.392 -11.711 1.00 0.00 C ATOM 557 C LYS A 38 -8.113 -7.262 -13.090 1.00 0.00 C ATOM 558 O LYS A 38 -8.698 -8.214 -13.605 1.00 0.00 O ATOM 559 CB LYS A 38 -5.949 -7.343 -11.838 1.00 0.00 C ATOM 560 CG LYS A 38 -5.224 -7.450 -10.507 1.00 0.00 C ATOM 561 CD LYS A 38 -5.791 -6.480 -9.484 1.00 0.00 C ATOM 562 CE LYS A 38 -6.835 -7.148 -8.602 1.00 0.00 C ATOM 563 NZ LYS A 38 -6.847 -6.577 -7.227 1.00 0.00 N ATOM 0 H LYS A 38 -7.118 -9.190 -10.695 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.807 -6.557 -11.094 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.621 -8.155 -12.487 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.663 -6.410 -12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.306 -8.469 -10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.163 -7.248 -10.652 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.984 -6.091 -8.863 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.238 -5.628 -9.997 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.820 -7.030 -9.053 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.635 -8.218 -8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.703 -7.339 -6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.084 -5.877 -7.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.762 -6.116 -7.050 1.00 0.00 H new ATOM 577 N SER A 39 -7.996 -6.078 -13.682 1.00 0.00 N ATOM 578 CA SER A 39 -8.565 -5.823 -15.000 1.00 0.00 C ATOM 579 C SER A 39 -7.747 -4.778 -15.753 1.00 0.00 C ATOM 580 O SER A 39 -8.300 -3.886 -16.395 1.00 0.00 O ATOM 581 CB SER A 39 -10.016 -5.356 -14.871 1.00 0.00 C ATOM 582 OG SER A 39 -10.178 -4.500 -13.753 1.00 0.00 O ATOM 0 H SER A 39 -7.512 -5.280 -13.270 1.00 0.00 H new ATOM 0 HA SER A 39 -8.540 -6.755 -15.565 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.315 -4.834 -15.780 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.672 -6.220 -14.769 1.00 0.00 H new ATOM 0 HG SER A 39 -11.113 -4.214 -13.693 1.00 0.00 H new ATOM 588 N SER A 40 -6.426 -4.896 -15.667 1.00 0.00 N ATOM 589 CA SER A 40 -5.530 -3.959 -16.336 1.00 0.00 C ATOM 590 C SER A 40 -5.773 -2.534 -15.850 1.00 0.00 C ATOM 591 O SER A 40 -5.436 -1.567 -16.534 1.00 0.00 O ATOM 592 CB SER A 40 -5.720 -4.034 -17.852 1.00 0.00 C ATOM 593 OG SER A 40 -4.887 -3.100 -18.517 1.00 0.00 O ATOM 0 H SER A 40 -5.952 -5.631 -15.141 1.00 0.00 H new ATOM 0 HA SER A 40 -4.505 -4.237 -16.092 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.493 -5.041 -18.201 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.763 -3.838 -18.101 1.00 0.00 H new ATOM 0 HG SER A 40 -4.980 -2.220 -18.095 1.00 0.00 H new ATOM 599 N SER A 41 -6.362 -2.411 -14.665 1.00 0.00 N ATOM 600 CA SER A 41 -6.655 -1.104 -14.088 1.00 0.00 C ATOM 601 C SER A 41 -5.950 -0.932 -12.746 1.00 0.00 C ATOM 602 O SER A 41 -5.883 0.172 -12.206 1.00 0.00 O ATOM 603 CB SER A 41 -8.165 -0.929 -13.910 1.00 0.00 C ATOM 604 OG SER A 41 -8.469 0.340 -13.356 1.00 0.00 O ATOM 0 H SER A 41 -6.646 -3.201 -14.085 1.00 0.00 H new ATOM 0 HA SER A 41 -6.286 -0.341 -14.773 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.663 -1.038 -14.873 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.551 -1.715 -13.261 1.00 0.00 H new ATOM 0 HG SER A 41 -7.732 0.630 -12.780 1.00 0.00 H new ATOM 610 N GLN A 42 -5.425 -2.032 -12.216 1.00 0.00 N ATOM 611 CA GLN A 42 -4.725 -2.003 -10.937 1.00 0.00 C ATOM 612 C GLN A 42 -3.301 -2.528 -11.084 1.00 0.00 C ATOM 613 O GLN A 42 -2.451 -2.297 -10.223 1.00 0.00 O ATOM 614 CB GLN A 42 -5.482 -2.832 -9.898 1.00 0.00 C ATOM 615 CG GLN A 42 -6.929 -2.404 -9.715 1.00 0.00 C ATOM 616 CD GLN A 42 -7.914 -3.465 -10.165 1.00 0.00 C ATOM 617 OE1 GLN A 42 -8.910 -3.730 -9.491 1.00 0.00 O ATOM 618 NE2 GLN A 42 -7.640 -4.080 -11.309 1.00 0.00 N ATOM 0 H GLN A 42 -5.471 -2.953 -12.652 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.678 -0.967 -10.601 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.457 -3.881 -10.194 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.966 -2.758 -8.941 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.105 -2.173 -8.665 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.106 -1.487 -10.277 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.803 -3.829 -11.835 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.266 -4.804 -11.662 1.00 0.00 H new ATOM 627 N LEU A 43 -3.047 -3.236 -12.179 1.00 0.00 N ATOM 628 CA LEU A 43 -1.725 -3.795 -12.439 1.00 0.00 C ATOM 629 C LEU A 43 -0.648 -2.719 -12.333 1.00 0.00 C ATOM 630 O LEU A 43 0.492 -3.000 -11.962 1.00 0.00 O ATOM 631 CB LEU A 43 -1.685 -4.436 -13.827 1.00 0.00 C ATOM 632 CG LEU A 43 -2.721 -5.529 -14.092 1.00 0.00 C ATOM 633 CD1 LEU A 43 -2.171 -6.564 -15.061 1.00 0.00 C ATOM 634 CD2 LEU A 43 -3.145 -6.189 -12.788 1.00 0.00 C ATOM 0 H LEU A 43 -3.739 -3.437 -12.901 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.526 -4.558 -11.687 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.816 -3.651 -14.572 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.692 -4.859 -13.981 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.599 -5.068 -14.545 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.923 -7.333 -15.237 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.919 -6.081 -16.005 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.277 -7.021 -14.637 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.883 -6.964 -12.996 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.275 -6.635 -12.306 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.582 -5.441 -12.127 1.00 0.00 H new ATOM 646 N LYS A 44 -1.018 -1.485 -12.658 1.00 0.00 N ATOM 647 CA LYS A 44 -0.086 -0.365 -12.596 1.00 0.00 C ATOM 648 C LYS A 44 -0.286 0.438 -11.315 1.00 0.00 C ATOM 649 O LYS A 44 0.610 1.161 -10.880 1.00 0.00 O ATOM 650 CB LYS A 44 -0.267 0.544 -13.814 1.00 0.00 C ATOM 651 CG LYS A 44 -1.688 1.054 -13.986 1.00 0.00 C ATOM 652 CD LYS A 44 -1.961 2.253 -13.095 1.00 0.00 C ATOM 653 CE LYS A 44 -2.272 3.497 -13.913 1.00 0.00 C ATOM 654 NZ LYS A 44 -3.624 3.430 -14.533 1.00 0.00 N ATOM 0 H LYS A 44 -1.957 -1.235 -12.967 1.00 0.00 H new ATOM 0 HA LYS A 44 0.927 -0.767 -12.598 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.408 1.396 -13.725 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.025 -0.002 -14.711 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.853 1.328 -15.028 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.393 0.257 -13.751 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.799 2.033 -12.433 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.095 2.441 -12.461 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.209 4.377 -13.273 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.520 3.616 -14.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.798 4.296 -15.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.676 2.604 -15.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.344 3.342 -13.788 1.00 0.00 H new ATOM 668 N GLU A 45 -1.465 0.305 -10.716 1.00 0.00 N ATOM 669 CA GLU A 45 -1.780 1.019 -9.484 1.00 0.00 C ATOM 670 C GLU A 45 -0.693 0.801 -8.436 1.00 0.00 C ATOM 671 O GLU A 45 -0.267 1.740 -7.763 1.00 0.00 O ATOM 672 CB GLU A 45 -3.133 0.562 -8.935 1.00 0.00 C ATOM 673 CG GLU A 45 -4.298 1.423 -9.392 1.00 0.00 C ATOM 674 CD GLU A 45 -4.272 2.811 -8.781 1.00 0.00 C ATOM 675 OE1 GLU A 45 -3.635 3.708 -9.371 1.00 0.00 O ATOM 676 OE2 GLU A 45 -4.891 2.999 -7.712 1.00 0.00 O ATOM 0 H GLU A 45 -2.217 -0.290 -11.063 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.831 2.083 -9.714 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.311 -0.468 -9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.094 0.567 -7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.278 1.508 -10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.234 0.931 -9.128 1.00 0.00 H new ATOM 683 N ILE A 46 -0.250 -0.445 -8.302 1.00 0.00 N ATOM 684 CA ILE A 46 0.787 -0.787 -7.336 1.00 0.00 C ATOM 685 C ILE A 46 2.176 -0.502 -7.898 1.00 0.00 C ATOM 686 O ILE A 46 3.150 -0.401 -7.151 1.00 0.00 O ATOM 687 CB ILE A 46 0.706 -2.268 -6.924 1.00 0.00 C ATOM 688 CG1 ILE A 46 -0.748 -2.670 -6.667 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.557 -2.522 -5.689 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.363 -3.469 -7.795 1.00 0.00 C ATOM 0 H ILE A 46 -0.593 -1.234 -8.850 1.00 0.00 H new ATOM 0 HA ILE A 46 0.618 -0.165 -6.457 1.00 0.00 H new ATOM 0 HB ILE A 46 1.093 -2.878 -7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.798 -3.255 -5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.342 -1.771 -6.504 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.489 -3.574 -5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.595 -2.270 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.197 -1.905 -4.866 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.394 -3.719 -7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.346 -2.878 -8.711 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.793 -4.386 -7.944 1.00 0.00 H new ATOM 702 N PHE A 47 2.260 -0.373 -9.217 1.00 0.00 N ATOM 703 CA PHE A 47 3.530 -0.099 -9.880 1.00 0.00 C ATOM 704 C PHE A 47 4.667 -0.869 -9.215 1.00 0.00 C ATOM 705 O PHE A 47 5.765 -0.342 -9.034 1.00 0.00 O ATOM 706 CB PHE A 47 3.830 1.401 -9.852 1.00 0.00 C ATOM 707 CG PHE A 47 3.688 2.016 -8.489 1.00 0.00 C ATOM 708 CD1 PHE A 47 4.763 2.052 -7.616 1.00 0.00 C ATOM 709 CD2 PHE A 47 2.480 2.559 -8.082 1.00 0.00 C ATOM 710 CE1 PHE A 47 4.635 2.617 -6.361 1.00 0.00 C ATOM 711 CE2 PHE A 47 2.346 3.125 -6.828 1.00 0.00 C ATOM 712 CZ PHE A 47 3.425 3.155 -5.967 1.00 0.00 C ATOM 0 H PHE A 47 1.463 -0.454 -9.849 1.00 0.00 H new ATOM 0 HA PHE A 47 3.449 -0.427 -10.916 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.845 1.567 -10.213 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.159 1.911 -10.543 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.712 1.634 -7.919 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.633 2.540 -8.752 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.480 2.638 -5.689 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.398 3.543 -6.522 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.323 3.598 -4.987 1.00 0.00 H new ATOM 722 N ARG A 48 4.395 -2.118 -8.852 1.00 0.00 N ATOM 723 CA ARG A 48 5.394 -2.961 -8.205 1.00 0.00 C ATOM 724 C ARG A 48 5.333 -4.387 -8.744 1.00 0.00 C ATOM 725 O ARG A 48 5.976 -5.291 -8.209 1.00 0.00 O ATOM 726 CB ARG A 48 5.183 -2.967 -6.690 1.00 0.00 C ATOM 727 CG ARG A 48 5.904 -1.839 -5.970 1.00 0.00 C ATOM 728 CD ARG A 48 6.033 -2.122 -4.481 1.00 0.00 C ATOM 729 NE ARG A 48 6.445 -0.937 -3.733 1.00 0.00 N ATOM 730 CZ ARG A 48 6.985 -0.985 -2.521 1.00 0.00 C ATOM 731 NH1 ARG A 48 7.178 -2.152 -1.923 1.00 0.00 N ATOM 732 NH2 ARG A 48 7.335 0.137 -1.904 1.00 0.00 N ATOM 0 H ARG A 48 3.491 -2.569 -8.995 1.00 0.00 H new ATOM 0 HA ARG A 48 6.379 -2.549 -8.426 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.116 -2.897 -6.480 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.525 -3.921 -6.288 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.895 -1.704 -6.403 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.361 -0.905 -6.119 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.078 -2.480 -4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.759 -2.920 -4.325 1.00 0.00 H new ATOM 0 HE ARG A 48 6.311 -0.023 -4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.911 -3.017 -2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.593 -2.185 -0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.189 1.037 -2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.750 0.099 -0.973 1.00 0.00 H new ATOM 746 N ILE A 49 4.557 -4.580 -9.805 1.00 0.00 N ATOM 747 CA ILE A 49 4.413 -5.896 -10.416 1.00 0.00 C ATOM 748 C ILE A 49 4.855 -5.875 -11.876 1.00 0.00 C ATOM 749 O ILE A 49 5.237 -6.904 -12.435 1.00 0.00 O ATOM 750 CB ILE A 49 2.959 -6.397 -10.339 1.00 0.00 C ATOM 751 CG1 ILE A 49 2.042 -5.497 -11.170 1.00 0.00 C ATOM 752 CG2 ILE A 49 2.492 -6.446 -8.892 1.00 0.00 C ATOM 753 CD1 ILE A 49 0.593 -5.932 -11.154 1.00 0.00 C ATOM 0 H ILE A 49 4.019 -3.842 -10.259 1.00 0.00 H new ATOM 0 HA ILE A 49 5.053 -6.576 -9.854 1.00 0.00 H new ATOM 0 HB ILE A 49 2.915 -7.406 -10.749 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.111 -4.476 -10.794 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.397 -5.482 -12.200 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.462 -6.802 -8.854 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.131 -7.123 -8.326 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.547 -5.448 -8.458 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.001 -5.249 -11.763 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.512 -6.941 -11.557 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.221 -5.920 -10.130 1.00 0.00 H new ATOM 765 N LEU A 50 4.802 -4.697 -12.487 1.00 0.00 N ATOM 766 CA LEU A 50 5.198 -4.542 -13.883 1.00 0.00 C ATOM 767 C LEU A 50 6.674 -4.170 -13.991 1.00 0.00 C ATOM 768 O LEU A 50 7.485 -4.949 -14.492 1.00 0.00 O ATOM 769 CB LEU A 50 4.340 -3.472 -14.561 1.00 0.00 C ATOM 770 CG LEU A 50 2.847 -3.502 -14.233 1.00 0.00 C ATOM 771 CD1 LEU A 50 2.219 -2.138 -14.477 1.00 0.00 C ATOM 772 CD2 LEU A 50 2.142 -4.570 -15.056 1.00 0.00 C ATOM 0 H LEU A 50 4.489 -3.836 -12.039 1.00 0.00 H new ATOM 0 HA LEU A 50 5.044 -5.496 -14.388 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.732 -2.493 -14.287 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.457 -3.571 -15.640 1.00 0.00 H new ATOM 0 HG LEU A 50 2.731 -3.749 -13.178 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.156 -2.179 -14.238 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.705 -1.395 -13.844 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.345 -1.861 -15.524 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.080 -4.577 -14.810 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.267 -4.353 -16.117 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.573 -5.546 -14.832 1.00 0.00 H new ATOM 784 N ASP A 51 7.015 -2.977 -13.516 1.00 0.00 N ATOM 785 CA ASP A 51 8.393 -2.504 -13.557 1.00 0.00 C ATOM 786 C ASP A 51 8.663 -1.519 -12.423 1.00 0.00 C ATOM 787 O ASP A 51 7.787 -0.746 -12.038 1.00 0.00 O ATOM 788 CB ASP A 51 8.689 -1.842 -14.904 1.00 0.00 C ATOM 789 CG ASP A 51 7.505 -1.059 -15.436 1.00 0.00 C ATOM 790 OD1 ASP A 51 6.533 -1.693 -15.898 1.00 0.00 O ATOM 791 OD2 ASP A 51 7.550 0.188 -15.389 1.00 0.00 O ATOM 0 H ASP A 51 6.356 -2.320 -13.098 1.00 0.00 H new ATOM 0 HA ASP A 51 9.050 -3.365 -13.432 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.544 -1.175 -14.798 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.970 -2.607 -15.628 1.00 0.00 H new ATOM 796 N ASN A 52 9.881 -1.556 -11.892 1.00 0.00 N ATOM 797 CA ASN A 52 10.266 -0.668 -10.801 1.00 0.00 C ATOM 798 C ASN A 52 10.992 0.564 -11.332 1.00 0.00 C ATOM 799 O ASN A 52 11.715 1.237 -10.597 1.00 0.00 O ATOM 800 CB ASN A 52 11.159 -1.409 -9.803 1.00 0.00 C ATOM 801 CG ASN A 52 12.618 -1.401 -10.217 1.00 0.00 C ATOM 802 OD1 ASN A 52 13.398 -0.564 -9.763 1.00 0.00 O ATOM 803 ND2 ASN A 52 12.993 -2.336 -11.082 1.00 0.00 N ATOM 0 H ASN A 52 10.618 -2.191 -12.199 1.00 0.00 H new ATOM 0 HA ASN A 52 9.358 -0.342 -10.294 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.060 -0.949 -8.820 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.816 -2.439 -9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.962 -2.381 -11.396 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.312 -3.010 -11.432 1.00 0.00 H new ATOM 810 N ASP A 53 10.794 0.854 -12.613 1.00 0.00 N ATOM 811 CA ASP A 53 11.428 2.006 -13.244 1.00 0.00 C ATOM 812 C ASP A 53 10.380 2.980 -13.774 1.00 0.00 C ATOM 813 O ASP A 53 10.495 4.191 -13.588 1.00 0.00 O ATOM 814 CB ASP A 53 12.343 1.552 -14.382 1.00 0.00 C ATOM 815 CG ASP A 53 13.649 0.970 -13.877 1.00 0.00 C ATOM 816 OD1 ASP A 53 13.603 -0.041 -13.145 1.00 0.00 O ATOM 817 OD2 ASP A 53 14.716 1.525 -14.214 1.00 0.00 O ATOM 0 H ASP A 53 10.199 0.307 -13.235 1.00 0.00 H new ATOM 0 HA ASP A 53 12.026 2.519 -12.491 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.825 0.806 -14.985 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.554 2.399 -15.035 1.00 0.00 H new ATOM 822 N GLN A 54 9.361 2.442 -14.437 1.00 0.00 N ATOM 823 CA GLN A 54 8.295 3.264 -14.996 1.00 0.00 C ATOM 824 C GLN A 54 8.867 4.400 -15.838 1.00 0.00 C ATOM 825 O GLN A 54 8.342 5.513 -15.836 1.00 0.00 O ATOM 826 CB GLN A 54 7.421 3.834 -13.876 1.00 0.00 C ATOM 827 CG GLN A 54 6.886 2.777 -12.924 1.00 0.00 C ATOM 828 CD GLN A 54 5.918 1.823 -13.596 1.00 0.00 C ATOM 829 OE1 GLN A 54 5.685 1.904 -14.803 1.00 0.00 O ATOM 830 NE2 GLN A 54 5.348 0.911 -12.817 1.00 0.00 N ATOM 0 H GLN A 54 9.252 1.441 -14.600 1.00 0.00 H new ATOM 0 HA GLN A 54 7.683 2.632 -15.640 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.001 4.562 -13.309 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.582 4.370 -14.319 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.720 2.210 -12.510 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.387 3.266 -12.088 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.570 0.880 -11.822 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.688 0.242 -13.214 1.00 0.00 H new ATOM 839 N SER A 55 9.947 4.110 -16.557 1.00 0.00 N ATOM 840 CA SER A 55 10.594 5.108 -17.400 1.00 0.00 C ATOM 841 C SER A 55 10.066 5.035 -18.830 1.00 0.00 C ATOM 842 O SER A 55 10.283 5.943 -19.631 1.00 0.00 O ATOM 843 CB SER A 55 12.110 4.908 -17.393 1.00 0.00 C ATOM 844 OG SER A 55 12.703 5.460 -18.556 1.00 0.00 O ATOM 0 H SER A 55 10.392 3.192 -16.572 1.00 0.00 H new ATOM 0 HA SER A 55 10.364 6.094 -16.996 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.538 5.376 -16.506 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.339 3.844 -17.334 1.00 0.00 H new ATOM 0 HG SER A 55 12.015 5.901 -19.096 1.00 0.00 H new ATOM 850 N GLY A 56 9.372 3.945 -19.143 1.00 0.00 N ATOM 851 CA GLY A 56 8.824 3.772 -20.476 1.00 0.00 C ATOM 852 C GLY A 56 8.523 2.321 -20.794 1.00 0.00 C ATOM 853 O GLY A 56 7.360 1.930 -20.901 1.00 0.00 O ATOM 0 H GLY A 56 9.179 3.179 -18.498 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.910 4.358 -20.569 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.529 4.163 -21.209 1.00 0.00 H new ATOM 857 N PHE A 57 9.572 1.520 -20.948 1.00 0.00 N ATOM 858 CA PHE A 57 9.414 0.104 -21.259 1.00 0.00 C ATOM 859 C PHE A 57 10.104 -0.764 -20.211 1.00 0.00 C ATOM 860 O PHE A 57 10.590 -0.262 -19.197 1.00 0.00 O ATOM 861 CB PHE A 57 9.984 -0.202 -22.646 1.00 0.00 C ATOM 862 CG PHE A 57 9.357 0.610 -23.744 1.00 0.00 C ATOM 863 CD1 PHE A 57 9.850 1.865 -24.062 1.00 0.00 C ATOM 864 CD2 PHE A 57 8.276 0.118 -24.457 1.00 0.00 C ATOM 865 CE1 PHE A 57 9.276 2.615 -25.072 1.00 0.00 C ATOM 866 CE2 PHE A 57 7.699 0.863 -25.468 1.00 0.00 C ATOM 867 CZ PHE A 57 8.199 2.113 -25.775 1.00 0.00 C ATOM 0 H PHE A 57 10.541 1.827 -20.863 1.00 0.00 H new ATOM 0 HA PHE A 57 8.349 -0.127 -21.252 1.00 0.00 H new ATOM 0 HB2 PHE A 57 11.058 -0.018 -22.637 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.843 -1.261 -22.862 1.00 0.00 H new ATOM 0 HD1 PHE A 57 10.692 2.262 -23.515 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.880 -0.858 -24.220 1.00 0.00 H new ATOM 0 HE1 PHE A 57 9.670 3.592 -25.311 1.00 0.00 H new ATOM 0 HE2 PHE A 57 6.858 0.468 -26.018 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.748 2.697 -26.564 1.00 0.00 H new ATOM 877 N ILE A 58 10.142 -2.068 -20.463 1.00 0.00 N ATOM 878 CA ILE A 58 10.772 -3.005 -19.542 1.00 0.00 C ATOM 879 C ILE A 58 11.763 -3.908 -20.269 1.00 0.00 C ATOM 880 O ILE A 58 11.637 -4.144 -21.470 1.00 0.00 O ATOM 881 CB ILE A 58 9.727 -3.881 -18.826 1.00 0.00 C ATOM 882 CG1 ILE A 58 8.578 -3.017 -18.303 1.00 0.00 C ATOM 883 CG2 ILE A 58 10.374 -4.656 -17.689 1.00 0.00 C ATOM 884 CD1 ILE A 58 7.473 -3.814 -17.645 1.00 0.00 C ATOM 0 H ILE A 58 9.744 -2.499 -21.297 1.00 0.00 H new ATOM 0 HA ILE A 58 11.303 -2.409 -18.800 1.00 0.00 H new ATOM 0 HB ILE A 58 9.322 -4.596 -19.542 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.973 -2.298 -17.586 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.159 -2.445 -19.131 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.622 -5.270 -17.193 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.161 -5.297 -18.087 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.803 -3.958 -16.971 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.693 -3.137 -17.298 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.051 -4.515 -18.365 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.878 -4.365 -16.796 1.00 0.00 H new ATOM 896 N GLU A 59 12.748 -4.412 -19.531 1.00 0.00 N ATOM 897 CA GLU A 59 13.760 -5.290 -20.107 1.00 0.00 C ATOM 898 C GLU A 59 14.108 -6.422 -19.145 1.00 0.00 C ATOM 899 O GLU A 59 13.664 -6.434 -17.998 1.00 0.00 O ATOM 900 CB GLU A 59 15.020 -4.494 -20.453 1.00 0.00 C ATOM 901 CG GLU A 59 15.708 -4.966 -21.723 1.00 0.00 C ATOM 902 CD GLU A 59 16.483 -3.860 -22.412 1.00 0.00 C ATOM 903 OE1 GLU A 59 15.869 -3.105 -23.194 1.00 0.00 O ATOM 904 OE2 GLU A 59 17.703 -3.750 -22.170 1.00 0.00 O ATOM 0 H GLU A 59 12.866 -4.228 -18.535 1.00 0.00 H new ATOM 0 HA GLU A 59 13.352 -5.724 -21.020 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.757 -3.442 -20.562 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.722 -4.562 -19.622 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.387 -5.784 -21.482 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.961 -5.364 -22.410 1.00 0.00 H new ATOM 911 N GLU A 60 14.905 -7.373 -19.623 1.00 0.00 N ATOM 912 CA GLU A 60 15.311 -8.510 -18.806 1.00 0.00 C ATOM 913 C GLU A 60 16.032 -8.044 -17.544 1.00 0.00 C ATOM 914 O GLU A 60 16.123 -8.779 -16.561 1.00 0.00 O ATOM 915 CB GLU A 60 16.218 -9.445 -19.609 1.00 0.00 C ATOM 916 CG GLU A 60 17.448 -8.759 -20.178 1.00 0.00 C ATOM 917 CD GLU A 60 18.007 -9.476 -21.392 1.00 0.00 C ATOM 918 OE1 GLU A 60 17.451 -10.530 -21.766 1.00 0.00 O ATOM 919 OE2 GLU A 60 19.001 -8.985 -21.966 1.00 0.00 O ATOM 0 H GLU A 60 15.282 -7.378 -20.571 1.00 0.00 H new ATOM 0 HA GLU A 60 14.412 -9.052 -18.511 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.535 -10.268 -18.969 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.644 -9.880 -20.427 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.195 -7.735 -20.451 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.217 -8.703 -19.408 1.00 0.00 H new ATOM 926 N ASP A 61 16.543 -6.819 -17.581 1.00 0.00 N ATOM 927 CA ASP A 61 17.256 -6.253 -16.441 1.00 0.00 C ATOM 928 C ASP A 61 16.282 -5.842 -15.341 1.00 0.00 C ATOM 929 O ASP A 61 16.694 -5.433 -14.256 1.00 0.00 O ATOM 930 CB ASP A 61 18.087 -5.046 -16.880 1.00 0.00 C ATOM 931 CG ASP A 61 19.210 -4.734 -15.911 1.00 0.00 C ATOM 932 OD1 ASP A 61 20.136 -5.563 -15.787 1.00 0.00 O ATOM 933 OD2 ASP A 61 19.164 -3.659 -15.276 1.00 0.00 O ATOM 0 H ASP A 61 16.477 -6.198 -18.388 1.00 0.00 H new ATOM 0 HA ASP A 61 17.923 -7.019 -16.044 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.506 -5.237 -17.868 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.438 -4.175 -16.972 1.00 0.00 H new ATOM 938 N GLU A 62 14.989 -5.955 -15.629 1.00 0.00 N ATOM 939 CA GLU A 62 13.958 -5.593 -14.664 1.00 0.00 C ATOM 940 C GLU A 62 13.058 -6.787 -14.357 1.00 0.00 C ATOM 941 O GLU A 62 11.927 -6.624 -13.896 1.00 0.00 O ATOM 942 CB GLU A 62 13.117 -4.430 -15.195 1.00 0.00 C ATOM 943 CG GLU A 62 13.734 -3.066 -14.936 1.00 0.00 C ATOM 944 CD GLU A 62 14.119 -2.347 -16.214 1.00 0.00 C ATOM 945 OE1 GLU A 62 14.448 -3.035 -17.204 1.00 0.00 O ATOM 946 OE2 GLU A 62 14.091 -1.099 -16.226 1.00 0.00 O ATOM 0 H GLU A 62 14.631 -6.294 -16.522 1.00 0.00 H new ATOM 0 HA GLU A 62 14.451 -5.284 -13.742 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.973 -4.557 -16.268 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.130 -4.466 -14.735 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.028 -2.452 -14.377 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.618 -3.185 -14.310 1.00 0.00 H new ATOM 953 N LEU A 63 13.568 -7.986 -14.615 1.00 0.00 N ATOM 954 CA LEU A 63 12.811 -9.208 -14.367 1.00 0.00 C ATOM 955 C LEU A 63 13.532 -10.101 -13.362 1.00 0.00 C ATOM 956 O LEU A 63 12.929 -10.986 -12.756 1.00 0.00 O ATOM 957 CB LEU A 63 12.590 -9.969 -15.675 1.00 0.00 C ATOM 958 CG LEU A 63 12.256 -9.117 -16.900 1.00 0.00 C ATOM 959 CD1 LEU A 63 12.138 -9.988 -18.141 1.00 0.00 C ATOM 960 CD2 LEU A 63 10.971 -8.334 -16.671 1.00 0.00 C ATOM 0 H LEU A 63 14.502 -8.138 -14.996 1.00 0.00 H new ATOM 0 HA LEU A 63 11.844 -8.928 -13.949 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.489 -10.546 -15.893 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.782 -10.684 -15.524 1.00 0.00 H new ATOM 0 HG LEU A 63 13.068 -8.407 -17.056 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.900 -9.364 -19.002 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.083 -10.502 -18.316 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.346 -10.723 -17.996 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.749 -7.733 -17.553 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.150 -9.027 -16.488 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.093 -7.680 -15.808 1.00 0.00 H new ATOM 972 N LYS A 64 14.827 -9.860 -13.188 1.00 0.00 N ATOM 973 CA LYS A 64 15.632 -10.639 -12.253 1.00 0.00 C ATOM 974 C LYS A 64 15.479 -10.109 -10.831 1.00 0.00 C ATOM 975 O LYS A 64 16.016 -10.683 -9.884 1.00 0.00 O ATOM 976 CB LYS A 64 17.105 -10.605 -12.666 1.00 0.00 C ATOM 977 CG LYS A 64 17.321 -10.739 -14.163 1.00 0.00 C ATOM 978 CD LYS A 64 18.787 -10.584 -14.532 1.00 0.00 C ATOM 979 CE LYS A 64 18.952 -10.012 -15.932 1.00 0.00 C ATOM 980 NZ LYS A 64 18.565 -10.994 -16.982 1.00 0.00 N ATOM 0 H LYS A 64 15.342 -9.131 -13.682 1.00 0.00 H new ATOM 0 HA LYS A 64 15.278 -11.670 -12.278 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.547 -9.668 -12.326 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.635 -11.411 -12.158 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.962 -11.712 -14.497 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.732 -9.985 -14.685 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.278 -9.931 -13.811 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.283 -11.553 -14.473 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.342 -9.114 -16.032 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.989 -9.711 -16.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 18.692 -10.566 -17.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 19.164 -11.840 -16.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.568 -11.263 -16.856 1.00 0.00 H new ATOM 994 N TYR A 65 14.743 -9.012 -10.689 1.00 0.00 N ATOM 995 CA TYR A 65 14.520 -8.405 -9.383 1.00 0.00 C ATOM 996 C TYR A 65 13.029 -8.295 -9.080 1.00 0.00 C ATOM 997 O TYR A 65 12.529 -7.220 -8.747 1.00 0.00 O ATOM 998 CB TYR A 65 15.168 -7.020 -9.323 1.00 0.00 C ATOM 999 CG TYR A 65 16.536 -6.964 -9.965 1.00 0.00 C ATOM 1000 CD1 TYR A 65 17.456 -7.988 -9.778 1.00 0.00 C ATOM 1001 CD2 TYR A 65 16.908 -5.886 -10.759 1.00 0.00 C ATOM 1002 CE1 TYR A 65 18.707 -7.940 -10.361 1.00 0.00 C ATOM 1003 CE2 TYR A 65 18.156 -5.830 -11.348 1.00 0.00 C ATOM 1004 CZ TYR A 65 19.052 -6.859 -11.145 1.00 0.00 C ATOM 1005 OH TYR A 65 20.297 -6.808 -11.730 1.00 0.00 O ATOM 0 H TYR A 65 14.291 -8.525 -11.463 1.00 0.00 H new ATOM 0 HA TYR A 65 14.979 -9.046 -8.630 1.00 0.00 H new ATOM 0 HB2 TYR A 65 14.514 -6.301 -9.816 1.00 0.00 H new ATOM 0 HB3 TYR A 65 15.252 -6.712 -8.281 1.00 0.00 H new ATOM 0 HD1 TYR A 65 17.188 -8.837 -9.166 1.00 0.00 H new ATOM 0 HD2 TYR A 65 16.209 -5.078 -10.918 1.00 0.00 H new ATOM 0 HE1 TYR A 65 19.411 -8.744 -10.204 1.00 0.00 H new ATOM 0 HE2 TYR A 65 18.429 -4.986 -11.964 1.00 0.00 H new ATOM 0 HH TYR A 65 20.380 -5.982 -12.250 1.00 0.00 H new ATOM 1015 N PHE A 66 12.324 -9.415 -9.197 1.00 0.00 N ATOM 1016 CA PHE A 66 10.889 -9.446 -8.937 1.00 0.00 C ATOM 1017 C PHE A 66 10.605 -9.912 -7.512 1.00 0.00 C ATOM 1018 O PHE A 66 10.054 -9.166 -6.701 1.00 0.00 O ATOM 1019 CB PHE A 66 10.188 -10.369 -9.936 1.00 0.00 C ATOM 1020 CG PHE A 66 8.689 -10.299 -9.866 1.00 0.00 C ATOM 1021 CD1 PHE A 66 8.000 -9.277 -10.499 1.00 0.00 C ATOM 1022 CD2 PHE A 66 7.970 -11.255 -9.168 1.00 0.00 C ATOM 1023 CE1 PHE A 66 6.621 -9.210 -10.437 1.00 0.00 C ATOM 1024 CE2 PHE A 66 6.591 -11.194 -9.103 1.00 0.00 C ATOM 1025 CZ PHE A 66 5.915 -10.169 -9.737 1.00 0.00 C ATOM 0 H PHE A 66 12.723 -10.313 -9.470 1.00 0.00 H new ATOM 0 HA PHE A 66 10.502 -8.434 -9.054 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.509 -10.110 -10.945 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.505 -11.396 -9.754 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.547 -8.524 -11.047 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.493 -12.057 -8.669 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.096 -8.409 -10.935 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.042 -11.947 -8.557 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.837 -10.118 -9.685 1.00 0.00 H new ATOM 1035 N LEU A 67 10.984 -11.150 -7.213 1.00 0.00 N ATOM 1036 CA LEU A 67 10.771 -11.717 -5.886 1.00 0.00 C ATOM 1037 C LEU A 67 11.368 -10.818 -4.808 1.00 0.00 C ATOM 1038 O LEU A 67 10.939 -10.850 -3.654 1.00 0.00 O ATOM 1039 CB LEU A 67 11.388 -13.114 -5.802 1.00 0.00 C ATOM 1040 CG LEU A 67 11.106 -14.044 -6.982 1.00 0.00 C ATOM 1041 CD1 LEU A 67 11.717 -15.416 -6.738 1.00 0.00 C ATOM 1042 CD2 LEU A 67 9.609 -14.161 -7.223 1.00 0.00 C ATOM 0 H LEU A 67 11.441 -11.780 -7.872 1.00 0.00 H new ATOM 0 HA LEU A 67 9.697 -11.791 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.468 -13.007 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.028 -13.594 -4.892 1.00 0.00 H new ATOM 0 HG LEU A 67 11.565 -13.617 -7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.506 -16.065 -7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.796 -15.317 -6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.288 -15.850 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.427 -14.827 -8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.127 -14.564 -6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.198 -13.176 -7.443 1.00 0.00 H new ATOM 1054 N GLN A 68 12.356 -10.018 -5.192 1.00 0.00 N ATOM 1055 CA GLN A 68 13.010 -9.110 -4.258 1.00 0.00 C ATOM 1056 C GLN A 68 11.993 -8.190 -3.590 1.00 0.00 C ATOM 1057 O GLN A 68 12.251 -7.634 -2.522 1.00 0.00 O ATOM 1058 CB GLN A 68 14.071 -8.277 -4.980 1.00 0.00 C ATOM 1059 CG GLN A 68 15.412 -8.246 -4.264 1.00 0.00 C ATOM 1060 CD GLN A 68 16.553 -7.849 -5.179 1.00 0.00 C ATOM 1061 OE1 GLN A 68 17.336 -6.953 -4.861 1.00 0.00 O ATOM 1062 NE2 GLN A 68 16.655 -8.516 -6.323 1.00 0.00 N ATOM 0 H GLN A 68 12.722 -9.980 -6.144 1.00 0.00 H new ATOM 0 HA GLN A 68 13.492 -9.710 -3.486 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.214 -8.677 -5.984 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.705 -7.256 -5.093 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.359 -7.545 -3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.616 -9.229 -3.841 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.984 -9.251 -6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 68 17.404 -8.293 -6.978 1.00 0.00 H new ATOM 1071 N ARG A 69 10.837 -8.033 -4.228 1.00 0.00 N ATOM 1072 CA ARG A 69 9.782 -7.179 -3.696 1.00 0.00 C ATOM 1073 C ARG A 69 8.922 -7.939 -2.691 1.00 0.00 C ATOM 1074 O ARG A 69 8.992 -7.693 -1.487 1.00 0.00 O ATOM 1075 CB ARG A 69 8.907 -6.646 -4.833 1.00 0.00 C ATOM 1076 CG ARG A 69 9.401 -5.333 -5.417 1.00 0.00 C ATOM 1077 CD ARG A 69 9.175 -4.176 -4.457 1.00 0.00 C ATOM 1078 NE ARG A 69 10.340 -3.930 -3.612 1.00 0.00 N ATOM 1079 CZ ARG A 69 11.491 -3.449 -4.070 1.00 0.00 C ATOM 1080 NH1 ARG A 69 11.630 -3.164 -5.357 1.00 0.00 N ATOM 1081 NH2 ARG A 69 12.507 -3.253 -3.238 1.00 0.00 N ATOM 0 H ARG A 69 10.608 -8.486 -5.113 1.00 0.00 H new ATOM 0 HA ARG A 69 10.252 -6.339 -3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.862 -7.392 -5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.890 -6.510 -4.465 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.463 -5.413 -5.648 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.885 -5.134 -6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.942 -3.275 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.310 -4.390 -3.829 1.00 0.00 H new ATOM 0 HE ARG A 69 10.266 -4.139 -2.616 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.852 -3.314 -5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.515 -2.795 -5.705 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.404 -3.472 -2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.390 -2.884 -3.590 1.00 0.00 H new ATOM 1095 N PHE A 70 8.110 -8.863 -3.194 1.00 0.00 N ATOM 1096 CA PHE A 70 7.235 -9.658 -2.341 1.00 0.00 C ATOM 1097 C PHE A 70 8.023 -10.306 -1.206 1.00 0.00 C ATOM 1098 O PHE A 70 7.884 -9.926 -0.044 1.00 0.00 O ATOM 1099 CB PHE A 70 6.526 -10.735 -3.164 1.00 0.00 C ATOM 1100 CG PHE A 70 5.490 -10.186 -4.103 1.00 0.00 C ATOM 1101 CD1 PHE A 70 4.271 -9.734 -3.624 1.00 0.00 C ATOM 1102 CD2 PHE A 70 5.734 -10.124 -5.466 1.00 0.00 C ATOM 1103 CE1 PHE A 70 3.316 -9.228 -4.486 1.00 0.00 C ATOM 1104 CE2 PHE A 70 4.783 -9.619 -6.332 1.00 0.00 C ATOM 1105 CZ PHE A 70 3.572 -9.172 -5.842 1.00 0.00 C ATOM 0 H PHE A 70 8.040 -9.080 -4.188 1.00 0.00 H new ATOM 0 HA PHE A 70 6.489 -8.992 -1.908 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.268 -11.290 -3.738 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.051 -11.445 -2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.064 -9.777 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.678 -10.474 -5.856 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.371 -8.877 -4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.987 -9.574 -7.392 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.827 -8.779 -6.518 1.00 0.00 H new ATOM 1115 N GLU A 71 8.851 -11.286 -1.554 1.00 0.00 N ATOM 1116 CA GLU A 71 9.661 -11.988 -0.565 1.00 0.00 C ATOM 1117 C GLU A 71 10.433 -11.000 0.306 1.00 0.00 C ATOM 1118 O GLU A 71 10.637 -11.235 1.497 1.00 0.00 O ATOM 1119 CB GLU A 71 10.635 -12.944 -1.256 1.00 0.00 C ATOM 1120 CG GLU A 71 11.646 -13.572 -0.311 1.00 0.00 C ATOM 1121 CD GLU A 71 10.996 -14.458 0.734 1.00 0.00 C ATOM 1122 OE1 GLU A 71 10.388 -15.479 0.352 1.00 0.00 O ATOM 1123 OE2 GLU A 71 11.095 -14.129 1.935 1.00 0.00 O ATOM 0 H GLU A 71 8.979 -11.612 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 71 8.991 -12.563 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.068 -13.736 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.168 -12.403 -2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.360 -14.160 -0.887 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.211 -12.784 0.187 1.00 0.00 H new ATOM 1130 N SER A 72 10.859 -9.896 -0.298 1.00 0.00 N ATOM 1131 CA SER A 72 11.612 -8.874 0.421 1.00 0.00 C ATOM 1132 C SER A 72 12.950 -9.425 0.905 1.00 0.00 C ATOM 1133 O SER A 72 13.608 -8.829 1.757 1.00 0.00 O ATOM 1134 CB SER A 72 10.801 -8.354 1.609 1.00 0.00 C ATOM 1135 OG SER A 72 11.184 -7.032 1.948 1.00 0.00 O ATOM 0 H SER A 72 10.696 -9.686 -1.283 1.00 0.00 H new ATOM 0 HA SER A 72 11.806 -8.050 -0.266 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.739 -8.377 1.366 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.946 -9.010 2.468 1.00 0.00 H new ATOM 0 HG SER A 72 12.160 -6.982 2.017 1.00 0.00 H new ATOM 1141 N GLY A 73 13.346 -10.570 0.355 1.00 0.00 N ATOM 1142 CA GLY A 73 14.602 -11.183 0.743 1.00 0.00 C ATOM 1143 C GLY A 73 15.247 -11.952 -0.393 1.00 0.00 C ATOM 1144 O GLY A 73 16.174 -12.732 -0.176 1.00 0.00 O ATOM 0 H GLY A 73 12.819 -11.083 -0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.288 -10.410 1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 73 14.430 -11.857 1.582 1.00 0.00 H new ATOM 1148 N ALA A 74 14.755 -11.732 -1.608 1.00 0.00 N ATOM 1149 CA ALA A 74 15.290 -12.410 -2.783 1.00 0.00 C ATOM 1150 C ALA A 74 16.574 -11.743 -3.264 1.00 0.00 C ATOM 1151 O ALA A 74 16.976 -10.701 -2.745 1.00 0.00 O ATOM 1152 CB ALA A 74 14.254 -12.431 -3.897 1.00 0.00 C ATOM 0 H ALA A 74 13.987 -11.090 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 74 15.528 -13.436 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.667 -12.940 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.364 -12.959 -3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.988 -11.409 -4.166 1.00 0.00 H new ATOM 1158 N ARG A 75 17.214 -12.351 -4.257 1.00 0.00 N ATOM 1159 CA ARG A 75 18.455 -11.817 -4.807 1.00 0.00 C ATOM 1160 C ARG A 75 18.369 -11.696 -6.325 1.00 0.00 C ATOM 1161 O ARG A 75 18.324 -10.593 -6.870 1.00 0.00 O ATOM 1162 CB ARG A 75 19.635 -12.710 -4.421 1.00 0.00 C ATOM 1163 CG ARG A 75 19.237 -14.144 -4.109 1.00 0.00 C ATOM 1164 CD ARG A 75 20.384 -15.108 -4.364 1.00 0.00 C ATOM 1165 NE ARG A 75 20.350 -16.252 -3.457 1.00 0.00 N ATOM 1166 CZ ARG A 75 19.491 -17.258 -3.574 1.00 0.00 C ATOM 1167 NH1 ARG A 75 18.599 -17.261 -4.556 1.00 0.00 N ATOM 1168 NH2 ARG A 75 19.522 -18.263 -2.709 1.00 0.00 N ATOM 0 H ARG A 75 16.894 -13.214 -4.697 1.00 0.00 H new ATOM 0 HA ARG A 75 18.610 -10.822 -4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.360 -12.712 -5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 75 20.134 -12.283 -3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 75 18.923 -14.217 -3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 75 18.380 -14.426 -4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 75 20.339 -15.461 -5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.332 -14.582 -4.249 1.00 0.00 H new ATOM 0 HE ARG A 75 21.023 -16.280 -2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 75 18.572 -16.490 -5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 75 17.940 -18.035 -4.644 1.00 0.00 H new ATOM 0 HH21 ARG A 75 20.206 -18.264 -1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 75 18.862 -19.035 -2.800 1.00 0.00 H new ATOM 1182 N VAL A 76 18.348 -12.839 -7.004 1.00 0.00 N ATOM 1183 CA VAL A 76 18.267 -12.862 -8.460 1.00 0.00 C ATOM 1184 C VAL A 76 17.469 -14.066 -8.947 1.00 0.00 C ATOM 1185 O VAL A 76 17.349 -15.071 -8.244 1.00 0.00 O ATOM 1186 CB VAL A 76 19.668 -12.896 -9.099 1.00 0.00 C ATOM 1187 CG1 VAL A 76 19.590 -12.543 -10.576 1.00 0.00 C ATOM 1188 CG2 VAL A 76 20.611 -11.953 -8.366 1.00 0.00 C ATOM 0 H VAL A 76 18.386 -13.761 -6.569 1.00 0.00 H new ATOM 0 HA VAL A 76 17.759 -11.947 -8.764 1.00 0.00 H new ATOM 0 HB VAL A 76 20.063 -13.908 -9.012 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.589 -12.572 -11.010 1.00 0.00 H new ATOM 0 HG12 VAL A 76 18.950 -13.262 -11.089 1.00 0.00 H new ATOM 0 HG13 VAL A 76 19.174 -11.542 -10.689 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.596 -11.990 -8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.222 -10.936 -8.419 1.00 0.00 H new ATOM 0 HG23 VAL A 76 20.691 -12.257 -7.322 1.00 0.00 H new ATOM 1198 N LEU A 77 16.926 -13.960 -10.154 1.00 0.00 N ATOM 1199 CA LEU A 77 16.139 -15.041 -10.737 1.00 0.00 C ATOM 1200 C LEU A 77 16.921 -15.753 -11.836 1.00 0.00 C ATOM 1201 O LEU A 77 17.986 -15.295 -12.253 1.00 0.00 O ATOM 1202 CB LEU A 77 14.826 -14.495 -11.302 1.00 0.00 C ATOM 1203 CG LEU A 77 13.718 -14.225 -10.284 1.00 0.00 C ATOM 1204 CD1 LEU A 77 13.150 -12.827 -10.470 1.00 0.00 C ATOM 1205 CD2 LEU A 77 12.618 -15.270 -10.404 1.00 0.00 C ATOM 0 H LEU A 77 17.016 -13.136 -10.749 1.00 0.00 H new ATOM 0 HA LEU A 77 15.917 -15.761 -9.949 1.00 0.00 H new ATOM 0 HB2 LEU A 77 15.040 -13.566 -11.831 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.449 -15.203 -12.040 1.00 0.00 H new ATOM 0 HG LEU A 77 14.147 -14.290 -9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.363 -12.654 -9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.942 -12.091 -10.333 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.737 -12.733 -11.474 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.838 -15.062 -9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.193 -15.237 -11.407 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.035 -16.260 -10.219 1.00 0.00 H new ATOM 1217 N THR A 78 16.386 -16.876 -12.304 1.00 0.00 N ATOM 1218 CA THR A 78 17.033 -17.652 -13.355 1.00 0.00 C ATOM 1219 C THR A 78 16.836 -17.000 -14.719 1.00 0.00 C ATOM 1220 O THR A 78 16.242 -15.927 -14.825 1.00 0.00 O ATOM 1221 CB THR A 78 16.492 -19.093 -13.404 1.00 0.00 C ATOM 1222 OG1 THR A 78 15.188 -19.107 -13.996 1.00 0.00 O ATOM 1223 CG2 THR A 78 16.426 -19.694 -12.008 1.00 0.00 C ATOM 0 H THR A 78 15.505 -17.269 -11.972 1.00 0.00 H new ATOM 0 HA THR A 78 18.097 -17.680 -13.118 1.00 0.00 H new ATOM 0 HB THR A 78 17.172 -19.692 -14.009 1.00 0.00 H new ATOM 0 HG1 THR A 78 14.852 -20.027 -14.025 1.00 0.00 H new ATOM 0 HG21 THR A 78 16.041 -20.712 -12.068 1.00 0.00 H new ATOM 0 HG22 THR A 78 17.424 -19.709 -11.571 1.00 0.00 H new ATOM 0 HG23 THR A 78 15.765 -19.092 -11.384 1.00 0.00 H new ATOM 1231 N ALA A 79 17.336 -17.656 -15.761 1.00 0.00 N ATOM 1232 CA ALA A 79 17.212 -17.142 -17.119 1.00 0.00 C ATOM 1233 C ALA A 79 15.852 -17.487 -17.714 1.00 0.00 C ATOM 1234 O ALA A 79 15.409 -16.862 -18.678 1.00 0.00 O ATOM 1235 CB ALA A 79 18.329 -17.691 -17.995 1.00 0.00 C ATOM 0 H ALA A 79 17.831 -18.545 -15.690 1.00 0.00 H new ATOM 0 HA ALA A 79 17.297 -16.056 -17.080 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.224 -17.299 -19.007 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.293 -17.389 -17.587 1.00 0.00 H new ATOM 0 HB3 ALA A 79 18.271 -18.779 -18.020 1.00 0.00 H new ATOM 1241 N SER A 80 15.193 -18.486 -17.135 1.00 0.00 N ATOM 1242 CA SER A 80 13.885 -18.917 -17.612 1.00 0.00 C ATOM 1243 C SER A 80 12.775 -18.074 -16.991 1.00 0.00 C ATOM 1244 O SER A 80 11.930 -17.526 -17.697 1.00 0.00 O ATOM 1245 CB SER A 80 13.661 -20.395 -17.286 1.00 0.00 C ATOM 1246 OG SER A 80 14.245 -21.229 -18.272 1.00 0.00 O ATOM 0 H SER A 80 15.544 -19.012 -16.335 1.00 0.00 H new ATOM 0 HA SER A 80 13.858 -18.783 -18.693 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.090 -20.625 -16.311 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.592 -20.598 -17.220 1.00 0.00 H new ATOM 0 HG SER A 80 14.090 -22.168 -18.040 1.00 0.00 H new ATOM 1252 N GLU A 81 12.786 -17.977 -15.666 1.00 0.00 N ATOM 1253 CA GLU A 81 11.781 -17.201 -14.949 1.00 0.00 C ATOM 1254 C GLU A 81 11.648 -15.802 -15.543 1.00 0.00 C ATOM 1255 O GLU A 81 10.541 -15.319 -15.784 1.00 0.00 O ATOM 1256 CB GLU A 81 12.141 -17.105 -13.465 1.00 0.00 C ATOM 1257 CG GLU A 81 12.264 -18.456 -12.780 1.00 0.00 C ATOM 1258 CD GLU A 81 10.959 -19.228 -12.773 1.00 0.00 C ATOM 1259 OE1 GLU A 81 10.503 -19.630 -13.864 1.00 0.00 O ATOM 1260 OE2 GLU A 81 10.394 -19.431 -11.678 1.00 0.00 O ATOM 0 H GLU A 81 13.479 -18.426 -15.067 1.00 0.00 H new ATOM 0 HA GLU A 81 10.824 -17.713 -15.051 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.084 -16.568 -13.363 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.381 -16.515 -12.953 1.00 0.00 H new ATOM 0 HG2 GLU A 81 13.028 -19.047 -13.285 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.600 -18.309 -11.754 1.00 0.00 H new ATOM 1267 N THR A 82 12.785 -15.153 -15.775 1.00 0.00 N ATOM 1268 CA THR A 82 12.797 -13.809 -16.339 1.00 0.00 C ATOM 1269 C THR A 82 12.399 -13.826 -17.810 1.00 0.00 C ATOM 1270 O THR A 82 11.869 -12.845 -18.332 1.00 0.00 O ATOM 1271 CB THR A 82 14.185 -13.155 -16.201 1.00 0.00 C ATOM 1272 OG1 THR A 82 15.173 -13.962 -16.851 1.00 0.00 O ATOM 1273 CG2 THR A 82 14.554 -12.972 -14.737 1.00 0.00 C ATOM 0 H THR A 82 13.710 -15.537 -15.581 1.00 0.00 H new ATOM 0 HA THR A 82 12.070 -13.223 -15.776 1.00 0.00 H new ATOM 0 HB THR A 82 14.149 -12.174 -16.675 1.00 0.00 H new ATOM 0 HG1 THR A 82 15.550 -14.599 -16.208 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.538 -12.509 -14.665 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.816 -12.333 -14.253 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.573 -13.943 -14.243 1.00 0.00 H new ATOM 1281 N LYS A 83 12.657 -14.948 -18.475 1.00 0.00 N ATOM 1282 CA LYS A 83 12.324 -15.094 -19.887 1.00 0.00 C ATOM 1283 C LYS A 83 10.814 -15.185 -20.083 1.00 0.00 C ATOM 1284 O LYS A 83 10.300 -14.901 -21.165 1.00 0.00 O ATOM 1285 CB LYS A 83 13.000 -16.339 -20.465 1.00 0.00 C ATOM 1286 CG LYS A 83 12.603 -16.636 -21.901 1.00 0.00 C ATOM 1287 CD LYS A 83 13.107 -15.563 -22.851 1.00 0.00 C ATOM 1288 CE LYS A 83 12.602 -15.792 -24.268 1.00 0.00 C ATOM 1289 NZ LYS A 83 13.259 -16.965 -24.908 1.00 0.00 N ATOM 0 H LYS A 83 13.096 -15.769 -18.058 1.00 0.00 H new ATOM 0 HA LYS A 83 12.689 -14.212 -20.414 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.081 -16.211 -20.415 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.751 -17.199 -19.843 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.005 -17.605 -22.198 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.518 -16.706 -21.973 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.781 -14.583 -22.501 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.197 -15.556 -22.849 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.523 -15.946 -24.249 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.786 -14.901 -24.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.888 -17.088 -25.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.286 -16.808 -24.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.062 -17.820 -24.350 1.00 0.00 H new ATOM 1303 N THR A 84 10.108 -15.583 -19.030 1.00 0.00 N ATOM 1304 CA THR A 84 8.657 -15.711 -19.086 1.00 0.00 C ATOM 1305 C THR A 84 7.974 -14.520 -18.424 1.00 0.00 C ATOM 1306 O THR A 84 6.865 -14.639 -17.903 1.00 0.00 O ATOM 1307 CB THR A 84 8.180 -17.007 -18.403 1.00 0.00 C ATOM 1308 OG1 THR A 84 6.762 -17.144 -18.548 1.00 0.00 O ATOM 1309 CG2 THR A 84 8.547 -17.007 -16.927 1.00 0.00 C ATOM 0 H THR A 84 10.518 -15.823 -18.127 1.00 0.00 H new ATOM 0 HA THR A 84 8.383 -15.743 -20.141 1.00 0.00 H new ATOM 0 HB THR A 84 8.677 -17.850 -18.884 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.324 -16.308 -18.285 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.200 -17.932 -16.466 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.629 -16.932 -16.821 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.075 -16.157 -16.435 1.00 0.00 H new ATOM 1317 N PHE A 85 8.641 -13.372 -18.449 1.00 0.00 N ATOM 1318 CA PHE A 85 8.098 -12.158 -17.851 1.00 0.00 C ATOM 1319 C PHE A 85 7.603 -11.195 -18.927 1.00 0.00 C ATOM 1320 O PHE A 85 6.430 -10.822 -18.950 1.00 0.00 O ATOM 1321 CB PHE A 85 9.157 -11.472 -16.985 1.00 0.00 C ATOM 1322 CG PHE A 85 9.049 -11.811 -15.526 1.00 0.00 C ATOM 1323 CD1 PHE A 85 8.786 -13.109 -15.120 1.00 0.00 C ATOM 1324 CD2 PHE A 85 9.212 -10.831 -14.560 1.00 0.00 C ATOM 1325 CE1 PHE A 85 8.685 -13.423 -13.778 1.00 0.00 C ATOM 1326 CE2 PHE A 85 9.113 -11.139 -13.216 1.00 0.00 C ATOM 1327 CZ PHE A 85 8.850 -12.437 -12.825 1.00 0.00 C ATOM 0 H PHE A 85 9.559 -13.256 -18.877 1.00 0.00 H new ATOM 0 HA PHE A 85 7.252 -12.440 -17.224 1.00 0.00 H new ATOM 0 HB2 PHE A 85 10.147 -11.755 -17.343 1.00 0.00 H new ATOM 0 HB3 PHE A 85 9.071 -10.392 -17.106 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.658 -13.885 -15.861 1.00 0.00 H new ATOM 0 HD2 PHE A 85 9.419 -9.815 -14.861 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.477 -14.438 -13.475 1.00 0.00 H new ATOM 0 HE2 PHE A 85 9.241 -10.366 -12.473 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.773 -12.681 -11.776 1.00 0.00 H new ATOM 1337 N LEU A 86 8.506 -10.798 -19.816 1.00 0.00 N ATOM 1338 CA LEU A 86 8.163 -9.878 -20.896 1.00 0.00 C ATOM 1339 C LEU A 86 8.356 -10.539 -22.256 1.00 0.00 C ATOM 1340 O LEU A 86 7.753 -10.130 -23.248 1.00 0.00 O ATOM 1341 CB LEU A 86 9.018 -8.613 -20.805 1.00 0.00 C ATOM 1342 CG LEU A 86 10.532 -8.819 -20.876 1.00 0.00 C ATOM 1343 CD1 LEU A 86 10.967 -9.094 -22.307 1.00 0.00 C ATOM 1344 CD2 LEU A 86 11.262 -7.606 -20.318 1.00 0.00 C ATOM 0 H LEU A 86 9.481 -11.098 -19.811 1.00 0.00 H new ATOM 0 HA LEU A 86 7.112 -9.608 -20.790 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.725 -7.942 -21.612 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.784 -8.107 -19.868 1.00 0.00 H new ATOM 0 HG LEU A 86 10.790 -9.685 -20.267 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.047 -9.238 -22.338 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.471 -9.993 -22.672 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.696 -8.248 -22.939 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.338 -7.770 -20.376 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.998 -6.723 -20.900 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.974 -7.455 -19.278 1.00 0.00 H new ATOM 1356 N ALA A 87 9.199 -11.566 -22.296 1.00 0.00 N ATOM 1357 CA ALA A 87 9.468 -12.287 -23.534 1.00 0.00 C ATOM 1358 C ALA A 87 8.356 -13.285 -23.840 1.00 0.00 C ATOM 1359 O ALA A 87 8.384 -13.964 -24.866 1.00 0.00 O ATOM 1360 CB ALA A 87 10.810 -12.999 -23.449 1.00 0.00 C ATOM 0 H ALA A 87 9.708 -11.917 -21.485 1.00 0.00 H new ATOM 0 HA ALA A 87 9.505 -11.562 -24.347 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.998 -13.533 -24.380 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.601 -12.267 -23.285 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.794 -13.708 -22.621 1.00 0.00 H new ATOM 1366 N ALA A 88 7.378 -13.368 -22.944 1.00 0.00 N ATOM 1367 CA ALA A 88 6.256 -14.281 -23.120 1.00 0.00 C ATOM 1368 C ALA A 88 5.028 -13.548 -23.647 1.00 0.00 C ATOM 1369 O ALA A 88 4.301 -14.064 -24.496 1.00 0.00 O ATOM 1370 CB ALA A 88 5.933 -14.980 -21.807 1.00 0.00 C ATOM 0 H ALA A 88 7.340 -12.814 -22.089 1.00 0.00 H new ATOM 0 HA ALA A 88 6.543 -15.031 -23.857 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.093 -15.659 -21.953 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.803 -15.546 -21.472 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.672 -14.237 -21.054 1.00 0.00 H new ATOM 1376 N ALA A 89 4.801 -12.341 -23.137 1.00 0.00 N ATOM 1377 CA ALA A 89 3.661 -11.536 -23.558 1.00 0.00 C ATOM 1378 C ALA A 89 3.602 -11.420 -25.077 1.00 0.00 C ATOM 1379 O ALA A 89 2.778 -12.065 -25.727 1.00 0.00 O ATOM 1380 CB ALA A 89 3.727 -10.155 -22.923 1.00 0.00 C ATOM 0 H ALA A 89 5.392 -11.900 -22.432 1.00 0.00 H new ATOM 0 HA ALA A 89 2.752 -12.035 -23.223 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.870 -9.565 -23.246 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.712 -10.253 -21.837 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.647 -9.657 -23.230 1.00 0.00 H new ATOM 1386 N ASP A 90 4.478 -10.594 -25.637 1.00 0.00 N ATOM 1387 CA ASP A 90 4.526 -10.393 -27.081 1.00 0.00 C ATOM 1388 C ASP A 90 5.961 -10.182 -27.553 1.00 0.00 C ATOM 1389 O ASP A 90 6.875 -10.025 -26.744 1.00 0.00 O ATOM 1390 CB ASP A 90 3.663 -9.195 -27.479 1.00 0.00 C ATOM 1391 CG ASP A 90 2.212 -9.574 -27.700 1.00 0.00 C ATOM 1392 OD1 ASP A 90 1.962 -10.656 -28.271 1.00 0.00 O ATOM 1393 OD2 ASP A 90 1.326 -8.789 -27.303 1.00 0.00 O ATOM 0 H ASP A 90 5.165 -10.052 -25.113 1.00 0.00 H new ATOM 0 HA ASP A 90 4.133 -11.289 -27.561 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.722 -8.434 -26.701 1.00 0.00 H new ATOM 0 HB3 ASP A 90 4.062 -8.750 -28.391 1.00 0.00 H new ATOM 1398 N HIS A 91 6.151 -10.180 -28.869 1.00 0.00 N ATOM 1399 CA HIS A 91 7.476 -9.988 -29.449 1.00 0.00 C ATOM 1400 C HIS A 91 7.442 -8.923 -30.541 1.00 0.00 C ATOM 1401 O HIS A 91 8.121 -9.042 -31.560 1.00 0.00 O ATOM 1402 CB HIS A 91 8.000 -11.305 -30.023 1.00 0.00 C ATOM 1403 CG HIS A 91 8.036 -12.421 -29.024 1.00 0.00 C ATOM 1404 ND1 HIS A 91 9.207 -13.005 -28.590 1.00 0.00 N ATOM 1405 CD2 HIS A 91 7.035 -13.058 -28.372 1.00 0.00 C ATOM 1406 CE1 HIS A 91 8.925 -13.954 -27.716 1.00 0.00 C ATOM 1407 NE2 HIS A 91 7.614 -14.007 -27.566 1.00 0.00 N ATOM 0 H HIS A 91 5.405 -10.309 -29.553 1.00 0.00 H new ATOM 0 HA HIS A 91 8.146 -9.652 -28.658 1.00 0.00 H new ATOM 0 HB2 HIS A 91 7.372 -11.601 -30.864 1.00 0.00 H new ATOM 0 HB3 HIS A 91 9.005 -11.147 -30.415 1.00 0.00 H new ATOM 0 HD2 HIS A 91 5.978 -12.857 -28.468 1.00 0.00 H new ATOM 0 HE1 HIS A 91 9.644 -14.580 -27.210 1.00 0.00 H new ATOM 0 HE2 HIS A 91 7.113 -14.649 -26.951 1.00 0.00 H new ATOM 1415 N ASP A 92 6.646 -7.882 -30.320 1.00 0.00 N ATOM 1416 CA ASP A 92 6.523 -6.795 -31.284 1.00 0.00 C ATOM 1417 C ASP A 92 7.896 -6.248 -31.664 1.00 0.00 C ATOM 1418 O ASP A 92 8.115 -5.826 -32.799 1.00 0.00 O ATOM 1419 CB ASP A 92 5.654 -5.674 -30.713 1.00 0.00 C ATOM 1420 CG ASP A 92 5.068 -4.787 -31.795 1.00 0.00 C ATOM 1421 OD1 ASP A 92 5.290 -5.082 -32.988 1.00 0.00 O ATOM 1422 OD2 ASP A 92 4.387 -3.800 -31.448 1.00 0.00 O ATOM 0 H ASP A 92 6.076 -7.768 -29.482 1.00 0.00 H new ATOM 0 HA ASP A 92 6.048 -7.191 -32.182 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.845 -6.109 -30.126 1.00 0.00 H new ATOM 0 HB3 ASP A 92 6.251 -5.066 -30.033 1.00 0.00 H new ATOM 1427 N GLY A 93 8.817 -6.258 -30.705 1.00 0.00 N ATOM 1428 CA GLY A 93 10.157 -5.759 -30.959 1.00 0.00 C ATOM 1429 C GLY A 93 11.222 -6.572 -30.250 1.00 0.00 C ATOM 1430 O GLY A 93 11.888 -7.405 -30.864 1.00 0.00 O ATOM 0 H GLY A 93 8.660 -6.602 -29.758 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.349 -5.772 -32.032 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.222 -4.720 -30.636 1.00 0.00 H new ATOM 1434 N ASP A 94 11.384 -6.330 -28.954 1.00 0.00 N ATOM 1435 CA ASP A 94 12.376 -7.045 -28.160 1.00 0.00 C ATOM 1436 C ASP A 94 11.821 -7.395 -26.783 1.00 0.00 C ATOM 1437 O ASP A 94 12.575 -7.663 -25.848 1.00 0.00 O ATOM 1438 CB ASP A 94 13.646 -6.205 -28.013 1.00 0.00 C ATOM 1439 CG ASP A 94 14.861 -6.882 -28.614 1.00 0.00 C ATOM 1440 OD1 ASP A 94 15.097 -6.711 -29.829 1.00 0.00 O ATOM 1441 OD2 ASP A 94 15.578 -7.583 -27.870 1.00 0.00 O ATOM 0 H ASP A 94 10.841 -5.644 -28.431 1.00 0.00 H new ATOM 0 HA ASP A 94 12.621 -7.971 -28.680 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.497 -5.239 -28.495 1.00 0.00 H new ATOM 0 HB3 ASP A 94 13.828 -6.009 -26.956 1.00 0.00 H new ATOM 1446 N GLY A 95 10.496 -7.390 -26.666 1.00 0.00 N ATOM 1447 CA GLY A 95 9.863 -7.707 -25.399 1.00 0.00 C ATOM 1448 C GLY A 95 9.629 -6.478 -24.544 1.00 0.00 C ATOM 1449 O GLY A 95 9.468 -6.580 -23.327 1.00 0.00 O ATOM 0 H GLY A 95 9.851 -7.172 -27.425 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.910 -8.202 -25.586 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.487 -8.413 -24.851 1.00 0.00 H new ATOM 1453 N LYS A 96 9.612 -5.312 -25.179 1.00 0.00 N ATOM 1454 CA LYS A 96 9.397 -4.056 -24.470 1.00 0.00 C ATOM 1455 C LYS A 96 7.929 -3.891 -24.089 1.00 0.00 C ATOM 1456 O LYS A 96 7.067 -3.739 -24.955 1.00 0.00 O ATOM 1457 CB LYS A 96 9.847 -2.875 -25.333 1.00 0.00 C ATOM 1458 CG LYS A 96 11.264 -3.013 -25.861 1.00 0.00 C ATOM 1459 CD LYS A 96 11.708 -1.761 -26.599 1.00 0.00 C ATOM 1460 CE LYS A 96 12.764 -2.078 -27.647 1.00 0.00 C ATOM 1461 NZ LYS A 96 12.157 -2.378 -28.974 1.00 0.00 N ATOM 0 H LYS A 96 9.745 -5.210 -26.185 1.00 0.00 H new ATOM 0 HA LYS A 96 9.991 -4.077 -23.557 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.163 -2.770 -26.175 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.774 -1.959 -24.747 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.945 -3.209 -25.032 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.322 -3.871 -26.531 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.847 -1.295 -27.078 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.106 -1.039 -25.886 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.446 -1.233 -27.742 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.357 -2.931 -27.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.909 -2.589 -29.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.526 -3.200 -28.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.612 -1.555 -29.300 1.00 0.00 H new ATOM 1475 N ILE A 97 7.653 -3.920 -22.790 1.00 0.00 N ATOM 1476 CA ILE A 97 6.290 -3.770 -22.296 1.00 0.00 C ATOM 1477 C ILE A 97 5.853 -2.310 -22.320 1.00 0.00 C ATOM 1478 O ILE A 97 6.659 -1.406 -22.103 1.00 0.00 O ATOM 1479 CB ILE A 97 6.148 -4.313 -20.861 1.00 0.00 C ATOM 1480 CG1 ILE A 97 6.853 -5.665 -20.732 1.00 0.00 C ATOM 1481 CG2 ILE A 97 4.679 -4.438 -20.485 1.00 0.00 C ATOM 1482 CD1 ILE A 97 6.325 -6.715 -21.683 1.00 0.00 C ATOM 0 H ILE A 97 8.355 -4.046 -22.061 1.00 0.00 H new ATOM 0 HA ILE A 97 5.649 -4.349 -22.961 1.00 0.00 H new ATOM 0 HB ILE A 97 6.620 -3.611 -20.174 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.919 -5.528 -20.911 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.745 -6.026 -19.709 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.595 -4.823 -19.469 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.204 -3.459 -20.543 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.184 -5.122 -21.174 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.871 -7.647 -21.536 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.265 -6.881 -21.490 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.458 -6.375 -22.710 1.00 0.00 H new ATOM 1494 N GLY A 98 4.569 -2.085 -22.584 1.00 0.00 N ATOM 1495 CA GLY A 98 4.046 -0.732 -22.630 1.00 0.00 C ATOM 1496 C GLY A 98 2.676 -0.618 -21.993 1.00 0.00 C ATOM 1497 O GLY A 98 1.729 -0.146 -22.622 1.00 0.00 O ATOM 0 H GLY A 98 3.882 -2.816 -22.767 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.737 -0.061 -22.120 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.989 -0.403 -23.668 1.00 0.00 H new ATOM 1501 N ALA A 99 2.568 -1.054 -20.742 1.00 0.00 N ATOM 1502 CA ALA A 99 1.303 -0.998 -20.020 1.00 0.00 C ATOM 1503 C ALA A 99 0.179 -1.633 -20.832 1.00 0.00 C ATOM 1504 O ALA A 99 -0.983 -1.250 -20.704 1.00 0.00 O ATOM 1505 CB ALA A 99 0.957 0.442 -19.672 1.00 0.00 C ATOM 0 H ALA A 99 3.341 -1.450 -20.208 1.00 0.00 H new ATOM 0 HA ALA A 99 1.415 -1.566 -19.097 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.010 0.469 -19.133 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.743 0.864 -19.046 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.870 1.027 -20.588 1.00 0.00 H new ATOM 1511 N GLU A 100 0.534 -2.605 -21.667 1.00 0.00 N ATOM 1512 CA GLU A 100 -0.446 -3.291 -22.501 1.00 0.00 C ATOM 1513 C GLU A 100 -0.165 -4.790 -22.548 1.00 0.00 C ATOM 1514 O GLU A 100 -1.088 -5.604 -22.562 1.00 0.00 O ATOM 1515 CB GLU A 100 -0.437 -2.714 -23.918 1.00 0.00 C ATOM 1516 CG GLU A 100 -1.143 -1.374 -24.034 1.00 0.00 C ATOM 1517 CD GLU A 100 -0.880 -0.688 -25.360 1.00 0.00 C ATOM 1518 OE1 GLU A 100 -0.590 -1.396 -26.347 1.00 0.00 O ATOM 1519 OE2 GLU A 100 -0.963 0.557 -25.411 1.00 0.00 O ATOM 0 H GLU A 100 1.492 -2.935 -21.784 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.431 -3.137 -22.061 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.595 -2.601 -24.249 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.912 -3.425 -24.594 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.216 -1.521 -23.912 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.816 -0.724 -23.222 1.00 0.00 H new ATOM 1526 N GLU A 101 1.115 -5.146 -22.574 1.00 0.00 N ATOM 1527 CA GLU A 101 1.518 -6.547 -22.622 1.00 0.00 C ATOM 1528 C GLU A 101 1.252 -7.235 -21.287 1.00 0.00 C ATOM 1529 O GLU A 101 0.463 -8.178 -21.207 1.00 0.00 O ATOM 1530 CB GLU A 101 3.000 -6.663 -22.982 1.00 0.00 C ATOM 1531 CG GLU A 101 3.271 -6.599 -24.476 1.00 0.00 C ATOM 1532 CD GLU A 101 4.747 -6.709 -24.806 1.00 0.00 C ATOM 1533 OE1 GLU A 101 5.303 -7.820 -24.682 1.00 0.00 O ATOM 1534 OE2 GLU A 101 5.347 -5.682 -25.189 1.00 0.00 O ATOM 0 H GLU A 101 1.891 -4.484 -22.563 1.00 0.00 H new ATOM 0 HA GLU A 101 0.926 -7.043 -23.391 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.549 -5.862 -22.487 1.00 0.00 H new ATOM 0 HB3 GLU A 101 3.388 -7.604 -22.591 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.730 -7.403 -24.974 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.883 -5.661 -24.872 1.00 0.00 H new ATOM 1541 N PHE A 102 1.916 -6.758 -20.239 1.00 0.00 N ATOM 1542 CA PHE A 102 1.753 -7.328 -18.907 1.00 0.00 C ATOM 1543 C PHE A 102 0.277 -7.413 -18.528 1.00 0.00 C ATOM 1544 O PHE A 102 -0.152 -8.363 -17.875 1.00 0.00 O ATOM 1545 CB PHE A 102 2.508 -6.488 -17.874 1.00 0.00 C ATOM 1546 CG PHE A 102 3.028 -7.289 -16.715 1.00 0.00 C ATOM 1547 CD1 PHE A 102 2.154 -7.928 -15.850 1.00 0.00 C ATOM 1548 CD2 PHE A 102 4.390 -7.404 -16.490 1.00 0.00 C ATOM 1549 CE1 PHE A 102 2.629 -8.664 -14.782 1.00 0.00 C ATOM 1550 CE2 PHE A 102 4.872 -8.139 -15.424 1.00 0.00 C ATOM 1551 CZ PHE A 102 3.990 -8.772 -14.569 1.00 0.00 C ATOM 0 H PHE A 102 2.572 -5.978 -20.287 1.00 0.00 H new ATOM 0 HA PHE A 102 2.166 -8.337 -18.918 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.344 -5.989 -18.364 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.846 -5.708 -17.498 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.089 -7.850 -16.013 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.084 -6.913 -17.156 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.937 -9.155 -14.114 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.936 -8.219 -15.259 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.363 -9.350 -13.736 1.00 0.00 H new ATOM 1561 N GLN A 103 -0.493 -6.412 -18.943 1.00 0.00 N ATOM 1562 CA GLN A 103 -1.920 -6.372 -18.646 1.00 0.00 C ATOM 1563 C GLN A 103 -2.674 -7.417 -19.461 1.00 0.00 C ATOM 1564 O GLN A 103 -3.345 -8.286 -18.905 1.00 0.00 O ATOM 1565 CB GLN A 103 -2.484 -4.980 -18.933 1.00 0.00 C ATOM 1566 CG GLN A 103 -2.213 -3.974 -17.826 1.00 0.00 C ATOM 1567 CD GLN A 103 -0.732 -3.768 -17.574 1.00 0.00 C ATOM 1568 OE1 GLN A 103 -0.280 -3.765 -16.429 1.00 0.00 O ATOM 1569 NE2 GLN A 103 0.033 -3.595 -18.646 1.00 0.00 N ATOM 0 H GLN A 103 -0.153 -5.618 -19.486 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.052 -6.598 -17.588 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.055 -4.608 -19.864 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.560 -5.058 -19.087 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -2.669 -3.019 -18.088 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.690 -4.314 -16.907 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.384 -3.605 -19.577 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.037 -3.452 -18.538 1.00 0.00 H new ATOM 1578 N GLU A 104 -2.559 -7.326 -20.783 1.00 0.00 N ATOM 1579 CA GLU A 104 -3.232 -8.264 -21.674 1.00 0.00 C ATOM 1580 C GLU A 104 -2.885 -9.705 -21.310 1.00 0.00 C ATOM 1581 O GLU A 104 -3.667 -10.623 -21.555 1.00 0.00 O ATOM 1582 CB GLU A 104 -2.845 -7.987 -23.128 1.00 0.00 C ATOM 1583 CG GLU A 104 -3.652 -6.871 -23.770 1.00 0.00 C ATOM 1584 CD GLU A 104 -5.129 -7.199 -23.865 1.00 0.00 C ATOM 1585 OE1 GLU A 104 -5.861 -6.928 -22.890 1.00 0.00 O ATOM 1586 OE2 GLU A 104 -5.554 -7.728 -24.914 1.00 0.00 O ATOM 0 H GLU A 104 -2.007 -6.613 -21.260 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.307 -8.127 -21.559 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.787 -7.730 -23.171 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.975 -8.899 -23.710 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.523 -5.956 -23.192 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.262 -6.674 -24.769 1.00 0.00 H new ATOM 1593 N MET A 105 -1.707 -9.894 -20.724 1.00 0.00 N ATOM 1594 CA MET A 105 -1.257 -11.222 -20.325 1.00 0.00 C ATOM 1595 C MET A 105 -2.152 -11.794 -19.231 1.00 0.00 C ATOM 1596 O MET A 105 -2.867 -12.773 -19.448 1.00 0.00 O ATOM 1597 CB MET A 105 0.193 -11.168 -19.838 1.00 0.00 C ATOM 1598 CG MET A 105 0.716 -12.504 -19.337 1.00 0.00 C ATOM 1599 SD MET A 105 2.143 -12.328 -18.249 1.00 0.00 S ATOM 1600 CE MET A 105 3.300 -11.503 -19.339 1.00 0.00 C ATOM 0 H MET A 105 -1.047 -9.145 -20.515 1.00 0.00 H new ATOM 0 HA MET A 105 -1.316 -11.875 -21.196 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.829 -10.821 -20.653 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.271 -10.433 -19.037 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.080 -13.025 -18.804 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.989 -13.126 -20.190 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.284 -11.961 -19.239 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.959 -11.597 -20.370 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.362 -10.448 -19.072 1.00 0.00 H new ATOM 1610 N VAL A 106 -2.108 -11.178 -18.054 1.00 0.00 N ATOM 1611 CA VAL A 106 -2.916 -11.625 -16.926 1.00 0.00 C ATOM 1612 C VAL A 106 -4.399 -11.623 -17.277 1.00 0.00 C ATOM 1613 O VAL A 106 -5.083 -12.636 -17.128 1.00 0.00 O ATOM 1614 CB VAL A 106 -2.692 -10.737 -15.687 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -3.376 -11.337 -14.469 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -1.204 -10.545 -15.433 1.00 0.00 C ATOM 0 H VAL A 106 -1.521 -10.368 -17.857 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.601 -12.643 -16.696 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.135 -9.759 -15.877 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.207 -10.696 -13.604 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.447 -11.418 -14.656 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.966 -12.328 -14.272 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.063 -9.915 -14.554 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.736 -11.515 -15.263 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.746 -10.067 -16.299 1.00 0.00 H new ATOM 1626 N GLN A 107 -4.890 -10.480 -17.744 1.00 0.00 N ATOM 1627 CA GLN A 107 -6.293 -10.346 -18.116 1.00 0.00 C ATOM 1628 C GLN A 107 -6.677 -11.378 -19.172 1.00 0.00 C ATOM 1629 O GLN A 107 -7.787 -11.909 -19.160 1.00 0.00 O ATOM 1630 CB GLN A 107 -6.572 -8.936 -18.639 1.00 0.00 C ATOM 1631 CG GLN A 107 -6.233 -7.839 -17.643 1.00 0.00 C ATOM 1632 CD GLN A 107 -6.511 -8.246 -16.210 1.00 0.00 C ATOM 1633 OE1 GLN A 107 -7.575 -8.786 -15.901 1.00 0.00 O ATOM 1634 NE2 GLN A 107 -5.555 -7.990 -15.325 1.00 0.00 N ATOM 0 H GLN A 107 -4.337 -9.633 -17.874 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.897 -10.521 -17.226 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -5.998 -8.776 -19.552 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.626 -8.859 -18.907 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.180 -7.575 -17.744 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -6.810 -6.946 -17.882 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.689 -7.541 -15.625 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.686 -8.242 -14.345 1.00 0.00 H new ATOM 1643 N SER A 108 -5.751 -11.657 -20.083 1.00 0.00 N ATOM 1644 CA SER A 108 -5.993 -12.623 -21.149 1.00 0.00 C ATOM 1645 C SER A 108 -4.756 -13.479 -21.398 1.00 0.00 C ATOM 1646 O SER A 108 -3.901 -13.131 -22.211 1.00 0.00 O ATOM 1647 CB SER A 108 -6.397 -11.903 -22.437 1.00 0.00 C ATOM 1648 OG SER A 108 -6.073 -12.678 -23.578 1.00 0.00 O ATOM 0 H SER A 108 -4.826 -11.228 -20.105 1.00 0.00 H new ATOM 0 HA SER A 108 -6.808 -13.276 -20.835 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.468 -11.700 -22.423 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.891 -10.939 -22.493 1.00 0.00 H new ATOM 0 HG SER A 108 -5.100 -12.768 -23.647 1.00 0.00 H new TER 1654 SER A 108