USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 703 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 96 ASN : amide:sc= -3.27! K(o=-4.9!,f=-0.28) USER MOD Set 1.2: A 100 GLN : amide:sc= -1.65! K(o=-4.9!,f=-0.28) USER MOD Set 2.1: A 87 THR OG1 : rot 119:sc= -1.36! USER MOD Set 2.2: A 88 HIS : no HD1:sc= -1.78! C(o=-3.1!,f=-13!) USER MOD Set 3.1: A 53 THR OG1 : rot 86:sc= 1.33 USER MOD Set 3.2: A 80 THR OG1 : rot 180:sc= 0.401 USER MOD Set 3.3: A 81 SER OG : rot 102:sc= 1.02 USER MOD Set 4.1: A 66 GLN : amide:sc= -0.753 K(o=-0.32,f=-6.9!) USER MOD Set 4.2: A 69 ASN : amide:sc= 0.433 K(o=-0.32,f=-2.3) USER MOD Set 5.1: A 43 SER OG : rot 74:sc= 0.403 USER MOD Set 5.2: A 59 GLN : amide:sc= -6.39! C(o=-6!,f=-4.8!) USER MOD Set 6.1: A 56 GLN : amide:sc= -9.99! C(o=-10!,f=-11!) USER MOD Set 6.2: A 67 MET CE :methyl -145:sc= -0.165 (180deg=-0.726) USER MOD Set 7.1: A 4 THR OG1 : rot -65:sc= 0.637 USER MOD Set 7.2: A 13 THR OG1 : rot 180:sc= 0.567 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 159:sc= -0.183 (180deg=-0.525) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -86:sc= 1.65 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -74:sc= -4.96! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= 1.27 (180deg=0.729) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 47:sc= 0.166 USER MOD Single : A 74 THR OG1 : rot 150:sc= -0.26 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -6.49! USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.978 USER MOD Single : A 86 GLN : amide:sc= -3.17! K(o=-3.2!,f=-0.0049) USER MOD Single : A 89 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.4) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -14.288 3.729 7.884 1.00 0.00 N ATOM 2 CA MET A 0 -13.244 3.501 6.894 1.00 0.00 C ATOM 3 C MET A 0 -12.649 4.812 6.420 1.00 0.00 C ATOM 4 O MET A 0 -13.293 5.862 6.474 1.00 0.00 O ATOM 5 CB MET A 0 -13.785 2.711 5.706 1.00 0.00 C ATOM 6 CG MET A 0 -15.119 3.199 5.232 1.00 0.00 C ATOM 7 SD MET A 0 -15.838 2.158 3.949 1.00 0.00 S ATOM 8 CE MET A 0 -17.370 3.027 3.631 1.00 0.00 C ATOM 0 H1 MET A 0 -14.909 2.896 7.931 1.00 0.00 H new ATOM 0 H2 MET A 0 -13.854 3.890 8.815 1.00 0.00 H new ATOM 0 H3 MET A 0 -14.847 4.563 7.613 1.00 0.00 H new ATOM 0 HA MET A 0 -12.457 2.917 7.371 1.00 0.00 H new ATOM 0 HB2 MET A 0 -13.071 2.769 4.884 1.00 0.00 H new ATOM 0 HB3 MET A 0 -13.867 1.660 5.984 1.00 0.00 H new ATOM 0 HG2 MET A 0 -15.804 3.247 6.079 1.00 0.00 H new ATOM 0 HG3 MET A 0 -15.013 4.215 4.850 1.00 0.00 H new ATOM 0 HE1 MET A 0 -17.931 2.504 2.856 1.00 0.00 H new ATOM 0 HE2 MET A 0 -17.963 3.066 4.545 1.00 0.00 H new ATOM 0 HE3 MET A 0 -17.151 4.041 3.298 1.00 0.00 H new ATOM 18 N TYR A 1 -11.421 4.738 5.952 1.00 0.00 N ATOM 19 CA TYR A 1 -10.683 5.917 5.545 1.00 0.00 C ATOM 20 C TYR A 1 -10.587 5.970 4.031 1.00 0.00 C ATOM 21 O TYR A 1 -10.569 4.930 3.366 1.00 0.00 O ATOM 22 CB TYR A 1 -9.276 5.893 6.143 1.00 0.00 C ATOM 23 CG TYR A 1 -9.240 5.627 7.635 1.00 0.00 C ATOM 24 CD1 TYR A 1 -9.355 4.333 8.143 1.00 0.00 C ATOM 25 CD2 TYR A 1 -9.077 6.669 8.538 1.00 0.00 C ATOM 26 CE1 TYR A 1 -9.313 4.097 9.503 1.00 0.00 C ATOM 27 CE2 TYR A 1 -9.036 6.434 9.898 1.00 0.00 C ATOM 28 CZ TYR A 1 -9.157 5.149 10.374 1.00 0.00 C ATOM 29 OH TYR A 1 -9.118 4.915 11.731 1.00 0.00 O ATOM 0 H TYR A 1 -10.907 3.864 5.843 1.00 0.00 H new ATOM 0 HA TYR A 1 -11.210 6.800 5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -8.690 5.127 5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -8.792 6.849 5.944 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -9.479 3.503 7.463 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -8.981 7.680 8.171 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -9.402 3.089 9.881 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -8.909 7.257 10.586 1.00 0.00 H new ATOM 0 HH TYR A 1 -9.002 5.764 12.206 1.00 0.00 H new ATOM 39 N LYS A 2 -10.528 7.174 3.483 1.00 0.00 N ATOM 40 CA LYS A 2 -10.374 7.335 2.050 1.00 0.00 C ATOM 41 C LYS A 2 -8.911 7.336 1.686 1.00 0.00 C ATOM 42 O LYS A 2 -8.153 8.224 2.071 1.00 0.00 O ATOM 43 CB LYS A 2 -11.038 8.614 1.541 1.00 0.00 C ATOM 44 CG LYS A 2 -12.547 8.517 1.438 1.00 0.00 C ATOM 45 CD LYS A 2 -13.153 9.802 0.901 1.00 0.00 C ATOM 46 CE LYS A 2 -14.670 9.733 0.885 1.00 0.00 C ATOM 47 NZ LYS A 2 -15.270 10.902 0.192 1.00 0.00 N ATOM 0 H LYS A 2 -10.584 8.047 4.007 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.872 6.493 1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.780 9.437 2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.631 8.859 0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.815 7.687 0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.966 8.299 2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.832 10.643 1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.785 9.986 -0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.987 8.815 0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.042 9.687 1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.307 10.817 0.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.989 11.777 0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.935 10.932 -0.792 1.00 0.00 H new ATOM 61 N VAL A 3 -8.513 6.318 0.970 1.00 0.00 N ATOM 62 CA VAL A 3 -7.162 6.212 0.508 1.00 0.00 C ATOM 63 C VAL A 3 -7.141 6.305 -1.007 1.00 0.00 C ATOM 64 O VAL A 3 -7.806 5.542 -1.709 1.00 0.00 O ATOM 65 CB VAL A 3 -6.486 4.920 1.032 1.00 0.00 C ATOM 66 CG1 VAL A 3 -7.480 4.079 1.806 1.00 0.00 C ATOM 67 CG2 VAL A 3 -5.837 4.105 -0.072 1.00 0.00 C ATOM 0 H VAL A 3 -9.117 5.544 0.693 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.577 7.040 0.908 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.684 5.232 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.989 3.175 2.167 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.857 4.650 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.310 3.805 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.380 3.212 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.593 3.812 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.071 4.704 -0.565 1.00 0.00 H new ATOM 77 N THR A 4 -6.433 7.292 -1.495 1.00 0.00 N ATOM 78 CA THR A 4 -6.305 7.496 -2.911 1.00 0.00 C ATOM 79 C THR A 4 -5.153 6.665 -3.425 1.00 0.00 C ATOM 80 O THR A 4 -3.996 7.026 -3.269 1.00 0.00 O ATOM 81 CB THR A 4 -6.061 8.982 -3.225 1.00 0.00 C ATOM 82 OG1 THR A 4 -7.122 9.783 -2.679 1.00 0.00 O ATOM 83 CG2 THR A 4 -5.969 9.210 -4.723 1.00 0.00 C ATOM 0 H THR A 4 -5.932 7.972 -0.923 1.00 0.00 H new ATOM 0 HA THR A 4 -7.230 7.192 -3.402 1.00 0.00 H new ATOM 0 HB THR A 4 -5.115 9.274 -2.769 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.964 9.561 -3.129 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.796 10.268 -4.920 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.144 8.626 -5.130 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.901 8.900 -5.196 1.00 0.00 H new ATOM 91 N LEU A 5 -5.462 5.549 -4.039 1.00 0.00 N ATOM 92 CA LEU A 5 -4.428 4.674 -4.506 1.00 0.00 C ATOM 93 C LEU A 5 -3.958 5.106 -5.860 1.00 0.00 C ATOM 94 O LEU A 5 -4.741 5.255 -6.795 1.00 0.00 O ATOM 95 CB LEU A 5 -4.882 3.228 -4.520 1.00 0.00 C ATOM 96 CG LEU A 5 -4.738 2.527 -3.171 1.00 0.00 C ATOM 97 CD1 LEU A 5 -6.007 1.790 -2.832 1.00 0.00 C ATOM 98 CD2 LEU A 5 -3.559 1.569 -3.186 1.00 0.00 C ATOM 0 H LEU A 5 -6.414 5.232 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.591 4.739 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.926 3.187 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.305 2.682 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.554 3.283 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.893 1.294 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.835 2.496 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.212 1.046 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.475 1.080 -2.215 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.712 0.816 -3.959 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.643 2.122 -3.394 1.00 0.00 H new ATOM 110 N LYS A 6 -2.671 5.305 -5.952 1.00 0.00 N ATOM 111 CA LYS A 6 -2.070 5.764 -7.165 1.00 0.00 C ATOM 112 C LYS A 6 -1.573 4.575 -7.954 1.00 0.00 C ATOM 113 O LYS A 6 -0.597 3.912 -7.587 1.00 0.00 O ATOM 114 CB LYS A 6 -0.939 6.711 -6.820 1.00 0.00 C ATOM 115 CG LYS A 6 -1.381 7.798 -5.862 1.00 0.00 C ATOM 116 CD LYS A 6 -0.685 9.104 -6.147 1.00 0.00 C ATOM 117 CE LYS A 6 -1.244 9.755 -7.384 1.00 0.00 C ATOM 118 NZ LYS A 6 -0.204 10.487 -8.159 1.00 0.00 N ATOM 0 H LYS A 6 -2.014 5.152 -5.187 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.795 6.299 -7.779 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.118 6.148 -6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.556 7.166 -7.733 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.460 7.935 -5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.171 7.489 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.800 9.775 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.384 8.930 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.698 8.994 -8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.037 10.447 -7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.637 10.918 -9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.212 11.232 -7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.540 9.823 -8.454 1.00 0.00 H new ATOM 132 N THR A 7 -2.292 4.284 -9.016 1.00 0.00 N ATOM 133 CA THR A 7 -1.975 3.172 -9.871 1.00 0.00 C ATOM 134 C THR A 7 -1.200 3.688 -11.068 1.00 0.00 C ATOM 135 O THR A 7 -1.187 4.891 -11.325 1.00 0.00 O ATOM 136 CB THR A 7 -3.260 2.443 -10.342 1.00 0.00 C ATOM 137 OG1 THR A 7 -3.913 3.201 -11.365 1.00 0.00 O ATOM 138 CG2 THR A 7 -4.234 2.234 -9.184 1.00 0.00 C ATOM 0 H THR A 7 -3.113 4.815 -9.307 1.00 0.00 H new ATOM 0 HA THR A 7 -1.374 2.453 -9.314 1.00 0.00 H new ATOM 0 HB THR A 7 -2.961 1.470 -10.733 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.510 3.860 -10.953 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.125 1.721 -9.546 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.757 1.631 -8.411 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.517 3.201 -8.767 1.00 0.00 H new ATOM 146 N PRO A 8 -0.516 2.803 -11.789 1.00 0.00 N ATOM 147 CA PRO A 8 0.184 3.166 -13.025 1.00 0.00 C ATOM 148 C PRO A 8 -0.759 3.764 -14.071 1.00 0.00 C ATOM 149 O PRO A 8 -0.319 4.375 -15.045 1.00 0.00 O ATOM 150 CB PRO A 8 0.768 1.841 -13.508 1.00 0.00 C ATOM 151 CG PRO A 8 0.825 0.978 -12.292 1.00 0.00 C ATOM 152 CD PRO A 8 -0.332 1.391 -11.438 1.00 0.00 C ATOM 0 HA PRO A 8 0.938 3.935 -12.858 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.144 1.393 -14.281 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.759 1.981 -13.940 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.756 -0.077 -12.559 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.768 1.112 -11.762 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.223 0.802 -11.654 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.116 1.264 -10.377 1.00 0.00 H new ATOM 160 N SER A 9 -2.059 3.581 -13.861 1.00 0.00 N ATOM 161 CA SER A 9 -3.070 4.163 -14.719 1.00 0.00 C ATOM 162 C SER A 9 -3.552 5.501 -14.154 1.00 0.00 C ATOM 163 O SER A 9 -3.965 6.389 -14.901 1.00 0.00 O ATOM 164 CB SER A 9 -4.239 3.192 -14.847 1.00 0.00 C ATOM 165 OG SER A 9 -3.797 1.921 -15.298 1.00 0.00 O ATOM 0 H SER A 9 -2.434 3.026 -13.092 1.00 0.00 H new ATOM 0 HA SER A 9 -2.640 4.347 -15.704 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.736 3.087 -13.883 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.975 3.593 -15.544 1.00 0.00 H new ATOM 0 HG SER A 9 -4.564 1.315 -15.371 1.00 0.00 H new ATOM 171 N GLY A 10 -3.492 5.640 -12.834 1.00 0.00 N ATOM 172 CA GLY A 10 -3.933 6.863 -12.188 1.00 0.00 C ATOM 173 C GLY A 10 -4.423 6.628 -10.770 1.00 0.00 C ATOM 174 O GLY A 10 -4.625 5.484 -10.360 1.00 0.00 O ATOM 0 H GLY A 10 -3.144 4.924 -12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.110 7.578 -12.171 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.734 7.312 -12.776 1.00 0.00 H new ATOM 178 N ASP A 11 -4.611 7.705 -10.020 1.00 0.00 N ATOM 179 CA ASP A 11 -5.081 7.619 -8.651 1.00 0.00 C ATOM 180 C ASP A 11 -6.594 7.418 -8.587 1.00 0.00 C ATOM 181 O ASP A 11 -7.340 7.911 -9.434 1.00 0.00 O ATOM 182 CB ASP A 11 -4.686 8.881 -7.879 1.00 0.00 C ATOM 183 CG ASP A 11 -5.048 10.163 -8.606 1.00 0.00 C ATOM 184 OD1 ASP A 11 -4.274 10.590 -9.487 1.00 0.00 O ATOM 185 OD2 ASP A 11 -6.104 10.753 -8.291 1.00 0.00 O ATOM 0 H ASP A 11 -4.442 8.657 -10.345 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.609 6.751 -8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.176 8.872 -6.905 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.612 8.866 -7.695 1.00 0.00 H new ATOM 190 N LYS A 12 -7.023 6.655 -7.591 1.00 0.00 N ATOM 191 CA LYS A 12 -8.440 6.440 -7.315 1.00 0.00 C ATOM 192 C LYS A 12 -8.660 6.350 -5.813 1.00 0.00 C ATOM 193 O LYS A 12 -7.903 5.687 -5.109 1.00 0.00 O ATOM 194 CB LYS A 12 -8.919 5.145 -7.970 1.00 0.00 C ATOM 195 CG LYS A 12 -10.389 4.799 -7.714 1.00 0.00 C ATOM 196 CD LYS A 12 -11.321 5.672 -8.530 1.00 0.00 C ATOM 197 CE LYS A 12 -11.214 5.353 -10.010 1.00 0.00 C ATOM 198 NZ LYS A 12 -12.121 6.200 -10.825 1.00 0.00 N ATOM 0 H LYS A 12 -6.399 6.166 -6.950 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.006 7.278 -7.723 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.760 5.219 -9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.299 4.323 -7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.564 3.751 -7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.612 4.920 -6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.348 5.524 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.080 6.722 -8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.186 5.500 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.454 4.302 -10.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.018 5.952 -11.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.105 6.041 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.876 7.202 -10.689 1.00 0.00 H new ATOM 212 N THR A 13 -9.693 7.006 -5.329 1.00 0.00 N ATOM 213 CA THR A 13 -10.004 6.985 -3.914 1.00 0.00 C ATOM 214 C THR A 13 -10.871 5.801 -3.558 1.00 0.00 C ATOM 215 O THR A 13 -11.955 5.597 -4.112 1.00 0.00 O ATOM 216 CB THR A 13 -10.695 8.277 -3.471 1.00 0.00 C ATOM 217 OG1 THR A 13 -9.830 9.395 -3.718 1.00 0.00 O ATOM 218 CG2 THR A 13 -11.058 8.220 -1.992 1.00 0.00 C ATOM 0 H THR A 13 -10.334 7.562 -5.895 1.00 0.00 H new ATOM 0 HA THR A 13 -9.055 6.898 -3.386 1.00 0.00 H new ATOM 0 HB THR A 13 -11.615 8.392 -4.045 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.275 10.221 -3.435 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.548 9.149 -1.701 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.734 7.383 -1.815 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.153 8.087 -1.400 1.00 0.00 H new ATOM 226 N ILE A 14 -10.359 5.017 -2.640 1.00 0.00 N ATOM 227 CA ILE A 14 -11.075 3.909 -2.091 1.00 0.00 C ATOM 228 C ILE A 14 -11.473 4.243 -0.662 1.00 0.00 C ATOM 229 O ILE A 14 -10.998 5.227 -0.091 1.00 0.00 O ATOM 230 CB ILE A 14 -10.205 2.642 -2.072 1.00 0.00 C ATOM 231 CG1 ILE A 14 -9.050 2.807 -1.109 1.00 0.00 C ATOM 232 CG2 ILE A 14 -9.658 2.326 -3.441 1.00 0.00 C ATOM 233 CD1 ILE A 14 -8.541 1.498 -0.556 1.00 0.00 C ATOM 0 H ILE A 14 -9.423 5.138 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 14 -11.953 3.723 -2.710 1.00 0.00 H new ATOM 0 HB ILE A 14 -10.842 1.819 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.234 3.321 -1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.363 3.445 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -9.048 1.424 -3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.483 2.167 -4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.047 3.158 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.713 1.689 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.344 0.992 -0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.197 0.866 -1.375 1.00 0.00 H new ATOM 245 N GLU A 15 -12.325 3.426 -0.088 1.00 0.00 N ATOM 246 CA GLU A 15 -12.710 3.579 1.302 1.00 0.00 C ATOM 247 C GLU A 15 -12.449 2.272 2.025 1.00 0.00 C ATOM 248 O GLU A 15 -13.233 1.329 1.930 1.00 0.00 O ATOM 249 CB GLU A 15 -14.179 3.985 1.392 1.00 0.00 C ATOM 250 CG GLU A 15 -14.450 5.338 0.755 1.00 0.00 C ATOM 251 CD GLU A 15 -15.920 5.635 0.604 1.00 0.00 C ATOM 252 OE1 GLU A 15 -16.519 5.188 -0.398 1.00 0.00 O ATOM 253 OE2 GLU A 15 -16.483 6.331 1.473 1.00 0.00 O ATOM 0 H GLU A 15 -12.770 2.641 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.122 4.365 1.776 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.792 3.228 0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.481 4.013 2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.988 6.118 1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.975 5.373 -0.226 1.00 0.00 H new ATOM 260 N CYS A 16 -11.323 2.216 2.722 1.00 0.00 N ATOM 261 CA CYS A 16 -10.899 0.994 3.362 1.00 0.00 C ATOM 262 C CYS A 16 -11.095 1.079 4.867 1.00 0.00 C ATOM 263 O CYS A 16 -10.568 1.980 5.524 1.00 0.00 O ATOM 264 CB CYS A 16 -9.437 0.708 3.042 1.00 0.00 C ATOM 265 SG CYS A 16 -9.075 -1.051 2.919 1.00 0.00 S ATOM 0 H CYS A 16 -10.692 3.006 2.855 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.511 0.178 2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -9.175 1.194 2.102 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.808 1.149 3.815 1.00 0.00 H new ATOM 0 HG CYS A 16 -9.056 -1.574 4.109 1.00 0.00 H new ATOM 271 N PRO A 17 -11.904 0.161 5.418 1.00 0.00 N ATOM 272 CA PRO A 17 -12.160 0.078 6.860 1.00 0.00 C ATOM 273 C PRO A 17 -10.887 -0.147 7.672 1.00 0.00 C ATOM 274 O PRO A 17 -9.865 -0.592 7.145 1.00 0.00 O ATOM 275 CB PRO A 17 -13.069 -1.144 6.991 1.00 0.00 C ATOM 276 CG PRO A 17 -13.700 -1.298 5.656 1.00 0.00 C ATOM 277 CD PRO A 17 -12.664 -0.852 4.668 1.00 0.00 C ATOM 0 HA PRO A 17 -12.591 1.004 7.240 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.499 -2.032 7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.819 -0.996 7.768 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.992 -2.333 5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.603 -0.693 5.577 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.029 -1.678 4.349 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.117 -0.433 3.770 1.00 0.00 H new ATOM 285 N ALA A 18 -10.979 0.108 8.969 1.00 0.00 N ATOM 286 CA ALA A 18 -9.824 0.055 9.858 1.00 0.00 C ATOM 287 C ALA A 18 -9.477 -1.374 10.273 1.00 0.00 C ATOM 288 O ALA A 18 -8.639 -1.582 11.152 1.00 0.00 O ATOM 289 CB ALA A 18 -10.077 0.906 11.088 1.00 0.00 C ATOM 0 H ALA A 18 -11.852 0.357 9.435 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.971 0.449 9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.210 0.861 11.746 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.250 1.939 10.786 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.953 0.531 11.616 1.00 0.00 H new ATOM 295 N ASP A 19 -10.143 -2.350 9.674 1.00 0.00 N ATOM 296 CA ASP A 19 -9.831 -3.756 9.926 1.00 0.00 C ATOM 297 C ASP A 19 -9.738 -4.537 8.619 1.00 0.00 C ATOM 298 O ASP A 19 -9.415 -5.726 8.613 1.00 0.00 O ATOM 299 CB ASP A 19 -10.884 -4.396 10.832 1.00 0.00 C ATOM 300 CG ASP A 19 -12.176 -4.704 10.103 1.00 0.00 C ATOM 301 OD1 ASP A 19 -12.902 -3.759 9.744 1.00 0.00 O ATOM 302 OD2 ASP A 19 -12.472 -5.900 9.883 1.00 0.00 O ATOM 0 H ASP A 19 -10.903 -2.198 9.010 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.864 -3.792 10.428 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.482 -5.317 11.255 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.094 -3.727 11.667 1.00 0.00 H new ATOM 307 N THR A 20 -10.013 -3.864 7.514 1.00 0.00 N ATOM 308 CA THR A 20 -10.038 -4.505 6.214 1.00 0.00 C ATOM 309 C THR A 20 -8.880 -4.003 5.365 1.00 0.00 C ATOM 310 O THR A 20 -8.720 -2.801 5.193 1.00 0.00 O ATOM 311 CB THR A 20 -11.371 -4.220 5.495 1.00 0.00 C ATOM 312 OG1 THR A 20 -12.452 -4.870 6.175 1.00 0.00 O ATOM 313 CG2 THR A 20 -11.322 -4.677 4.047 1.00 0.00 C ATOM 0 H THR A 20 -10.223 -2.866 7.494 1.00 0.00 H new ATOM 0 HA THR A 20 -9.941 -5.581 6.358 1.00 0.00 H new ATOM 0 HB THR A 20 -11.535 -3.142 5.509 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.293 -4.680 5.709 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.276 -4.463 3.565 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.525 -4.147 3.525 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.129 -5.749 4.010 1.00 0.00 H new ATOM 321 N TYR A 21 -8.089 -4.928 4.831 1.00 0.00 N ATOM 322 CA TYR A 21 -6.872 -4.571 4.110 1.00 0.00 C ATOM 323 C TYR A 21 -7.201 -3.850 2.806 1.00 0.00 C ATOM 324 O TYR A 21 -8.185 -4.178 2.142 1.00 0.00 O ATOM 325 CB TYR A 21 -6.032 -5.811 3.830 1.00 0.00 C ATOM 326 CG TYR A 21 -5.914 -6.771 4.995 1.00 0.00 C ATOM 327 CD1 TYR A 21 -5.046 -6.517 6.048 1.00 0.00 C ATOM 328 CD2 TYR A 21 -6.657 -7.943 5.030 1.00 0.00 C ATOM 329 CE1 TYR A 21 -4.923 -7.400 7.103 1.00 0.00 C ATOM 330 CE2 TYR A 21 -6.544 -8.831 6.084 1.00 0.00 C ATOM 331 CZ TYR A 21 -5.675 -8.556 7.116 1.00 0.00 C ATOM 332 OH TYR A 21 -5.554 -9.441 8.165 1.00 0.00 O ATOM 0 H TYR A 21 -8.269 -5.931 4.884 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.295 -3.893 4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -6.464 -6.342 2.982 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.032 -5.496 3.533 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.456 -5.612 6.042 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.335 -8.165 4.220 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.242 -7.186 7.913 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.134 -9.735 6.098 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.153 -10.203 8.021 1.00 0.00 H new ATOM 342 N ILE A 22 -6.349 -2.885 2.453 1.00 0.00 N ATOM 343 CA ILE A 22 -6.601 -1.948 1.351 1.00 0.00 C ATOM 344 C ILE A 22 -7.119 -2.626 0.082 1.00 0.00 C ATOM 345 O ILE A 22 -8.079 -2.143 -0.499 1.00 0.00 O ATOM 346 CB ILE A 22 -5.340 -1.120 1.030 1.00 0.00 C ATOM 347 CG1 ILE A 22 -5.134 -0.072 2.129 1.00 0.00 C ATOM 348 CG2 ILE A 22 -5.479 -0.455 -0.332 1.00 0.00 C ATOM 349 CD1 ILE A 22 -3.684 0.174 2.523 1.00 0.00 C ATOM 0 H ILE A 22 -5.459 -2.729 2.925 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.393 -1.285 1.701 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.470 -1.776 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.569 0.871 1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.687 -0.384 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.582 0.126 -0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.608 -1.219 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.347 0.205 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.643 0.931 3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.245 -0.753 2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.125 0.521 1.654 1.00 0.00 H new ATOM 361 N LEU A 23 -6.499 -3.740 -0.328 1.00 0.00 N ATOM 362 CA LEU A 23 -6.848 -4.419 -1.596 1.00 0.00 C ATOM 363 C LEU A 23 -8.349 -4.536 -1.780 1.00 0.00 C ATOM 364 O LEU A 23 -8.855 -4.300 -2.861 1.00 0.00 O ATOM 365 CB LEU A 23 -6.293 -5.848 -1.720 1.00 0.00 C ATOM 366 CG LEU A 23 -5.027 -6.196 -0.957 1.00 0.00 C ATOM 367 CD1 LEU A 23 -3.932 -5.194 -1.258 1.00 0.00 C ATOM 368 CD2 LEU A 23 -5.298 -6.334 0.534 1.00 0.00 C ATOM 0 H LEU A 23 -5.752 -4.195 0.196 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.392 -3.784 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.074 -6.537 -1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.109 -6.043 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.675 -7.170 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.033 -5.460 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.714 -5.203 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.260 -4.197 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.371 -6.583 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.688 -5.393 0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.030 -7.125 0.699 1.00 0.00 H new ATOM 380 N ASP A 24 -9.041 -4.932 -0.727 1.00 0.00 N ATOM 381 CA ASP A 24 -10.501 -5.122 -0.778 1.00 0.00 C ATOM 382 C ASP A 24 -11.223 -3.880 -1.293 1.00 0.00 C ATOM 383 O ASP A 24 -12.044 -3.949 -2.210 1.00 0.00 O ATOM 384 CB ASP A 24 -11.037 -5.462 0.605 1.00 0.00 C ATOM 385 CG ASP A 24 -12.530 -5.714 0.594 1.00 0.00 C ATOM 386 OD1 ASP A 24 -12.944 -6.842 0.257 1.00 0.00 O ATOM 387 OD2 ASP A 24 -13.300 -4.785 0.910 1.00 0.00 O ATOM 0 H ASP A 24 -8.624 -5.132 0.182 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.690 -5.943 -1.470 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.524 -6.346 0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.813 -4.645 1.291 1.00 0.00 H new ATOM 392 N ALA A 25 -10.929 -2.753 -0.687 1.00 0.00 N ATOM 393 CA ALA A 25 -11.487 -1.480 -1.121 1.00 0.00 C ATOM 394 C ALA A 25 -10.838 -1.025 -2.424 1.00 0.00 C ATOM 395 O ALA A 25 -11.456 -0.347 -3.243 1.00 0.00 O ATOM 396 CB ALA A 25 -11.313 -0.449 -0.029 1.00 0.00 C ATOM 0 H ALA A 25 -10.302 -2.686 0.115 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.553 -1.602 -1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.732 0.503 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.830 -0.782 0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.252 -0.323 0.187 1.00 0.00 H new ATOM 402 N ALA A 26 -9.585 -1.411 -2.596 1.00 0.00 N ATOM 403 CA ALA A 26 -8.817 -1.088 -3.786 1.00 0.00 C ATOM 404 C ALA A 26 -9.489 -1.652 -5.042 1.00 0.00 C ATOM 405 O ALA A 26 -9.717 -0.940 -6.021 1.00 0.00 O ATOM 406 CB ALA A 26 -7.417 -1.647 -3.653 1.00 0.00 C ATOM 0 H ALA A 26 -9.069 -1.961 -1.909 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.769 -0.004 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.842 -1.404 -4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.932 -1.211 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.467 -2.730 -3.537 1.00 0.00 H new ATOM 412 N GLU A 27 -9.809 -2.942 -4.991 1.00 0.00 N ATOM 413 CA GLU A 27 -10.461 -3.637 -6.085 1.00 0.00 C ATOM 414 C GLU A 27 -11.881 -3.123 -6.260 1.00 0.00 C ATOM 415 O GLU A 27 -12.406 -3.085 -7.372 1.00 0.00 O ATOM 416 CB GLU A 27 -10.467 -5.141 -5.814 1.00 0.00 C ATOM 417 CG GLU A 27 -10.981 -5.505 -4.429 1.00 0.00 C ATOM 418 CD GLU A 27 -11.215 -6.988 -4.237 1.00 0.00 C ATOM 419 OE1 GLU A 27 -12.122 -7.539 -4.893 1.00 0.00 O ATOM 420 OE2 GLU A 27 -10.500 -7.616 -3.420 1.00 0.00 O ATOM 0 H GLU A 27 -9.620 -3.534 -4.182 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.910 -3.449 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.085 -5.635 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.454 -5.527 -5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.265 -5.160 -3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.914 -4.972 -4.246 1.00 0.00 H new ATOM 427 N GLU A 28 -12.490 -2.728 -5.148 1.00 0.00 N ATOM 428 CA GLU A 28 -13.809 -2.113 -5.163 1.00 0.00 C ATOM 429 C GLU A 28 -13.777 -0.861 -6.017 1.00 0.00 C ATOM 430 O GLU A 28 -14.659 -0.618 -6.840 1.00 0.00 O ATOM 431 CB GLU A 28 -14.211 -1.738 -3.744 1.00 0.00 C ATOM 432 CG GLU A 28 -15.711 -1.686 -3.524 1.00 0.00 C ATOM 433 CD GLU A 28 -16.077 -1.452 -2.074 1.00 0.00 C ATOM 434 OE1 GLU A 28 -16.151 -0.279 -1.655 1.00 0.00 O ATOM 435 OE2 GLU A 28 -16.302 -2.443 -1.350 1.00 0.00 O ATOM 0 H GLU A 28 -12.085 -2.825 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.530 -2.819 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.777 -2.459 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.784 -0.765 -3.501 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -16.137 -0.891 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.157 -2.622 -3.861 1.00 0.00 H new ATOM 442 N ALA A 29 -12.740 -0.075 -5.792 1.00 0.00 N ATOM 443 CA ALA A 29 -12.508 1.158 -6.549 1.00 0.00 C ATOM 444 C ALA A 29 -12.205 0.873 -8.015 1.00 0.00 C ATOM 445 O ALA A 29 -12.465 1.704 -8.886 1.00 0.00 O ATOM 446 CB ALA A 29 -11.370 1.931 -5.940 1.00 0.00 C ATOM 0 H ALA A 29 -12.032 -0.266 -5.083 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.423 1.749 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.205 2.846 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.614 2.185 -4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.465 1.323 -5.960 1.00 0.00 H new ATOM 452 N GLY A 30 -11.646 -0.299 -8.282 1.00 0.00 N ATOM 453 CA GLY A 30 -11.421 -0.708 -9.651 1.00 0.00 C ATOM 454 C GLY A 30 -9.964 -0.691 -10.046 1.00 0.00 C ATOM 455 O GLY A 30 -9.643 -0.522 -11.220 1.00 0.00 O ATOM 0 H GLY A 30 -11.345 -0.971 -7.576 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.817 -1.714 -9.793 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.979 -0.049 -10.316 1.00 0.00 H new ATOM 459 N LEU A 31 -9.073 -0.849 -9.078 1.00 0.00 N ATOM 460 CA LEU A 31 -7.647 -0.850 -9.369 1.00 0.00 C ATOM 461 C LEU A 31 -7.177 -2.231 -9.795 1.00 0.00 C ATOM 462 O LEU A 31 -7.629 -3.245 -9.260 1.00 0.00 O ATOM 463 CB LEU A 31 -6.845 -0.448 -8.143 1.00 0.00 C ATOM 464 CG LEU A 31 -7.479 0.604 -7.250 1.00 0.00 C ATOM 465 CD1 LEU A 31 -6.541 0.918 -6.117 1.00 0.00 C ATOM 466 CD2 LEU A 31 -7.824 1.866 -8.017 1.00 0.00 C ATOM 0 H LEU A 31 -9.309 -0.977 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.489 -0.135 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.660 -1.340 -7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.874 -0.079 -8.473 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.414 0.204 -6.859 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.990 1.673 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.352 0.013 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.600 1.296 -6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.275 2.591 -7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.917 2.288 -8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.528 1.627 -8.814 1.00 0.00 H new ATOM 478 N ASP A 32 -6.248 -2.261 -10.737 1.00 0.00 N ATOM 479 CA ASP A 32 -5.563 -3.495 -11.102 1.00 0.00 C ATOM 480 C ASP A 32 -4.409 -3.715 -10.131 1.00 0.00 C ATOM 481 O ASP A 32 -3.244 -3.828 -10.510 1.00 0.00 O ATOM 482 CB ASP A 32 -5.067 -3.417 -12.550 1.00 0.00 C ATOM 483 CG ASP A 32 -4.369 -4.682 -13.025 1.00 0.00 C ATOM 484 OD1 ASP A 32 -4.714 -5.786 -12.550 1.00 0.00 O ATOM 485 OD2 ASP A 32 -3.478 -4.578 -13.899 1.00 0.00 O ATOM 0 H ASP A 32 -5.949 -1.442 -11.266 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.249 -4.340 -11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.914 -3.212 -13.205 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.380 -2.576 -12.645 1.00 0.00 H new ATOM 490 N LEU A 33 -4.761 -3.721 -8.856 1.00 0.00 N ATOM 491 CA LEU A 33 -3.803 -3.858 -7.781 1.00 0.00 C ATOM 492 C LEU A 33 -3.383 -5.313 -7.625 1.00 0.00 C ATOM 493 O LEU A 33 -4.220 -6.212 -7.613 1.00 0.00 O ATOM 494 CB LEU A 33 -4.430 -3.320 -6.494 1.00 0.00 C ATOM 495 CG LEU A 33 -3.449 -2.952 -5.386 1.00 0.00 C ATOM 496 CD1 LEU A 33 -4.114 -2.022 -4.395 1.00 0.00 C ATOM 497 CD2 LEU A 33 -2.950 -4.198 -4.683 1.00 0.00 C ATOM 0 H LEU A 33 -5.726 -3.630 -8.540 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.905 -3.284 -8.007 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.020 -2.437 -6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.122 -4.068 -6.108 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.594 -2.443 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.407 -1.764 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.434 -1.114 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.981 -2.517 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.251 -3.916 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.794 -4.731 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.446 -4.844 -5.402 1.00 0.00 H new ATOM 509 N PRO A 34 -2.070 -5.554 -7.525 1.00 0.00 N ATOM 510 CA PRO A 34 -1.516 -6.894 -7.321 1.00 0.00 C ATOM 511 C PRO A 34 -1.715 -7.391 -5.893 1.00 0.00 C ATOM 512 O PRO A 34 -1.194 -6.808 -4.943 1.00 0.00 O ATOM 513 CB PRO A 34 -0.029 -6.687 -7.598 1.00 0.00 C ATOM 514 CG PRO A 34 0.212 -5.282 -7.175 1.00 0.00 C ATOM 515 CD PRO A 34 -1.010 -4.534 -7.607 1.00 0.00 C ATOM 0 HA PRO A 34 -1.995 -7.640 -7.955 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.586 -7.387 -7.032 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.207 -6.835 -8.652 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.356 -5.213 -6.097 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.109 -4.877 -7.643 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.215 -3.685 -6.954 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.906 -4.141 -8.618 1.00 0.00 H new ATOM 523 N TYR A 35 -2.473 -8.460 -5.744 1.00 0.00 N ATOM 524 CA TYR A 35 -2.676 -9.069 -4.442 1.00 0.00 C ATOM 525 C TYR A 35 -2.909 -10.560 -4.603 1.00 0.00 C ATOM 526 O TYR A 35 -3.446 -11.006 -5.620 1.00 0.00 O ATOM 527 CB TYR A 35 -3.848 -8.411 -3.696 1.00 0.00 C ATOM 528 CG TYR A 35 -5.154 -8.389 -4.464 1.00 0.00 C ATOM 529 CD1 TYR A 35 -5.964 -9.512 -4.528 1.00 0.00 C ATOM 530 CD2 TYR A 35 -5.577 -7.239 -5.118 1.00 0.00 C ATOM 531 CE1 TYR A 35 -7.154 -9.496 -5.224 1.00 0.00 C ATOM 532 CE2 TYR A 35 -6.769 -7.212 -5.816 1.00 0.00 C ATOM 533 CZ TYR A 35 -7.553 -8.344 -5.867 1.00 0.00 C ATOM 534 OH TYR A 35 -8.739 -8.330 -6.565 1.00 0.00 O ATOM 0 H TYR A 35 -2.960 -8.926 -6.510 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.779 -8.913 -3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.004 -8.939 -2.755 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.572 -7.387 -3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.657 -10.416 -4.023 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.964 -6.351 -5.080 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.771 -10.382 -5.265 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.084 -6.309 -6.318 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.876 -7.443 -6.959 1.00 0.00 H new ATOM 544 N SER A 36 -2.490 -11.329 -3.615 1.00 0.00 N ATOM 545 CA SER A 36 -2.655 -12.770 -3.661 1.00 0.00 C ATOM 546 C SER A 36 -2.964 -13.316 -2.274 1.00 0.00 C ATOM 547 O SER A 36 -4.046 -13.856 -2.039 1.00 0.00 O ATOM 548 CB SER A 36 -1.393 -13.430 -4.229 1.00 0.00 C ATOM 549 OG SER A 36 -1.520 -14.844 -4.273 1.00 0.00 O ATOM 0 H SER A 36 -2.034 -10.981 -2.772 1.00 0.00 H new ATOM 0 HA SER A 36 -3.495 -13.003 -4.316 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.202 -13.049 -5.232 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.533 -13.160 -3.617 1.00 0.00 H new ATOM 0 HG SER A 36 -0.700 -15.235 -4.641 1.00 0.00 H new ATOM 555 N CYS A 37 -2.027 -13.153 -1.353 1.00 0.00 N ATOM 556 CA CYS A 37 -2.167 -13.722 -0.028 1.00 0.00 C ATOM 557 C CYS A 37 -3.018 -12.834 0.866 1.00 0.00 C ATOM 558 O CYS A 37 -3.882 -13.337 1.583 1.00 0.00 O ATOM 559 CB CYS A 37 -0.786 -13.929 0.607 1.00 0.00 C ATOM 560 SG CYS A 37 0.182 -12.409 0.829 1.00 0.00 S ATOM 0 H CYS A 37 -1.163 -12.631 -1.502 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.667 -14.685 -0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.916 -14.406 1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.215 -14.620 -0.014 1.00 0.00 H new ATOM 565 N ARG A 38 -2.773 -11.520 0.806 1.00 0.00 N ATOM 566 CA ARG A 38 -3.316 -10.560 1.772 1.00 0.00 C ATOM 567 C ARG A 38 -3.198 -11.133 3.186 1.00 0.00 C ATOM 568 O ARG A 38 -4.093 -10.999 4.026 1.00 0.00 O ATOM 569 CB ARG A 38 -4.759 -10.111 1.426 1.00 0.00 C ATOM 570 CG ARG A 38 -5.834 -11.186 1.507 1.00 0.00 C ATOM 571 CD ARG A 38 -7.210 -10.624 1.168 1.00 0.00 C ATOM 572 NE ARG A 38 -7.330 -10.246 -0.245 1.00 0.00 N ATOM 573 CZ ARG A 38 -8.330 -9.513 -0.746 1.00 0.00 C ATOM 574 NH1 ARG A 38 -9.264 -9.021 0.057 1.00 0.00 N ATOM 575 NH2 ARG A 38 -8.397 -9.278 -2.053 1.00 0.00 N ATOM 0 H ARG A 38 -2.192 -11.093 0.085 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.720 -9.649 1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.036 -9.298 2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.758 -9.703 0.415 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.592 -11.997 0.821 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.850 -11.611 2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.971 -11.366 1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.407 -9.752 1.792 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.603 -10.563 -0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.221 -9.201 1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.025 -8.462 -0.328 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.684 -9.657 -2.677 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.161 -8.719 -2.432 1.00 0.00 H new ATOM 589 N ALA A 39 -2.061 -11.790 3.417 1.00 0.00 N ATOM 590 CA ALA A 39 -1.765 -12.429 4.691 1.00 0.00 C ATOM 591 C ALA A 39 -0.273 -12.334 5.011 1.00 0.00 C ATOM 592 O ALA A 39 0.134 -12.510 6.160 1.00 0.00 O ATOM 593 CB ALA A 39 -2.211 -13.882 4.666 1.00 0.00 C ATOM 0 H ALA A 39 -1.321 -11.892 2.722 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.315 -11.907 5.474 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.984 -14.349 5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.285 -13.930 4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.684 -14.411 3.871 1.00 0.00 H new ATOM 599 N GLY A 40 0.538 -12.037 3.994 1.00 0.00 N ATOM 600 CA GLY A 40 1.953 -11.808 4.220 1.00 0.00 C ATOM 601 C GLY A 40 2.829 -12.925 3.692 1.00 0.00 C ATOM 602 O GLY A 40 3.747 -13.372 4.377 1.00 0.00 O ATOM 0 H GLY A 40 0.239 -11.952 3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.244 -10.871 3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.129 -11.691 5.289 1.00 0.00 H new ATOM 606 N ALA A 41 2.553 -13.380 2.476 1.00 0.00 N ATOM 607 CA ALA A 41 3.337 -14.454 1.882 1.00 0.00 C ATOM 608 C ALA A 41 4.462 -13.906 1.010 1.00 0.00 C ATOM 609 O ALA A 41 5.361 -14.645 0.607 1.00 0.00 O ATOM 610 CB ALA A 41 2.444 -15.370 1.063 1.00 0.00 C ATOM 0 H ALA A 41 1.799 -13.026 1.887 1.00 0.00 H new ATOM 0 HA ALA A 41 3.786 -15.025 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.044 -16.168 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.679 -15.803 1.707 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.967 -14.797 0.268 1.00 0.00 H new ATOM 616 N CYS A 42 4.425 -12.610 0.742 1.00 0.00 N ATOM 617 CA CYS A 42 5.455 -11.965 -0.055 1.00 0.00 C ATOM 618 C CYS A 42 5.484 -10.465 0.228 1.00 0.00 C ATOM 619 O CYS A 42 4.703 -9.968 1.039 1.00 0.00 O ATOM 620 CB CYS A 42 5.236 -12.247 -1.552 1.00 0.00 C ATOM 621 SG CYS A 42 3.559 -11.931 -2.173 1.00 0.00 S ATOM 0 H CYS A 42 3.689 -11.983 1.067 1.00 0.00 H new ATOM 0 HA CYS A 42 6.424 -12.379 0.223 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.937 -11.639 -2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.486 -13.290 -1.747 1.00 0.00 H new ATOM 626 N SER A 43 6.408 -9.757 -0.406 1.00 0.00 N ATOM 627 CA SER A 43 6.528 -8.320 -0.212 1.00 0.00 C ATOM 628 C SER A 43 6.512 -7.611 -1.563 1.00 0.00 C ATOM 629 O SER A 43 6.801 -6.417 -1.669 1.00 0.00 O ATOM 630 CB SER A 43 7.821 -8.005 0.551 1.00 0.00 C ATOM 631 OG SER A 43 7.811 -6.686 1.071 1.00 0.00 O ATOM 0 H SER A 43 7.084 -10.154 -1.058 1.00 0.00 H new ATOM 0 HA SER A 43 5.683 -7.962 0.376 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.946 -8.717 1.366 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.676 -8.128 -0.114 1.00 0.00 H new ATOM 0 HG SER A 43 7.210 -6.644 1.844 1.00 0.00 H new ATOM 637 N SER A 44 6.161 -8.362 -2.600 1.00 0.00 N ATOM 638 CA SER A 44 6.110 -7.833 -3.952 1.00 0.00 C ATOM 639 C SER A 44 5.004 -6.792 -4.073 1.00 0.00 C ATOM 640 O SER A 44 5.119 -5.817 -4.808 1.00 0.00 O ATOM 641 CB SER A 44 5.861 -8.974 -4.937 1.00 0.00 C ATOM 642 OG SER A 44 6.747 -10.055 -4.689 1.00 0.00 O ATOM 0 H SER A 44 5.906 -9.347 -2.526 1.00 0.00 H new ATOM 0 HA SER A 44 7.062 -7.356 -4.182 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.830 -9.316 -4.851 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.994 -8.615 -5.958 1.00 0.00 H new ATOM 0 HG SER A 44 6.571 -10.776 -5.329 1.00 0.00 H new ATOM 648 N CYS A 45 3.940 -7.002 -3.325 1.00 0.00 N ATOM 649 CA CYS A 45 2.791 -6.125 -3.374 1.00 0.00 C ATOM 650 C CYS A 45 2.836 -5.090 -2.252 1.00 0.00 C ATOM 651 O CYS A 45 1.809 -4.739 -1.671 1.00 0.00 O ATOM 652 CB CYS A 45 1.530 -6.974 -3.273 1.00 0.00 C ATOM 653 SG CYS A 45 1.869 -8.753 -3.300 1.00 0.00 S ATOM 0 H CYS A 45 3.849 -7.780 -2.671 1.00 0.00 H new ATOM 0 HA CYS A 45 2.795 -5.577 -4.316 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.004 -6.724 -2.352 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.864 -6.724 -4.099 1.00 0.00 H new ATOM 658 N ALA A 46 4.028 -4.616 -1.917 1.00 0.00 N ATOM 659 CA ALA A 46 4.146 -3.571 -0.919 1.00 0.00 C ATOM 660 C ALA A 46 3.947 -2.198 -1.564 1.00 0.00 C ATOM 661 O ALA A 46 4.783 -1.742 -2.349 1.00 0.00 O ATOM 662 CB ALA A 46 5.484 -3.666 -0.181 1.00 0.00 C ATOM 0 H ALA A 46 4.911 -4.934 -2.316 1.00 0.00 H new ATOM 0 HA ALA A 46 3.361 -3.707 -0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.547 -2.871 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.558 -4.633 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.301 -3.561 -0.895 1.00 0.00 H new ATOM 668 N GLY A 47 2.851 -1.536 -1.196 1.00 0.00 N ATOM 669 CA GLY A 47 2.503 -0.255 -1.790 1.00 0.00 C ATOM 670 C GLY A 47 3.312 0.884 -1.213 1.00 0.00 C ATOM 671 O GLY A 47 4.167 0.674 -0.362 1.00 0.00 O ATOM 0 H GLY A 47 2.193 -1.868 -0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.662 -0.301 -2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.442 -0.060 -1.633 1.00 0.00 H new ATOM 675 N LYS A 48 3.091 2.092 -1.701 1.00 0.00 N ATOM 676 CA LYS A 48 3.835 3.247 -1.220 1.00 0.00 C ATOM 677 C LYS A 48 2.905 4.248 -0.570 1.00 0.00 C ATOM 678 O LYS A 48 1.907 4.647 -1.159 1.00 0.00 O ATOM 679 CB LYS A 48 4.569 3.946 -2.367 1.00 0.00 C ATOM 680 CG LYS A 48 5.827 3.269 -2.870 1.00 0.00 C ATOM 681 CD LYS A 48 5.794 1.767 -2.706 1.00 0.00 C ATOM 682 CE LYS A 48 6.767 1.317 -1.645 1.00 0.00 C ATOM 683 NZ LYS A 48 6.943 -0.161 -1.655 1.00 0.00 N ATOM 0 H LYS A 48 2.406 2.300 -2.427 1.00 0.00 H new ATOM 0 HA LYS A 48 4.559 2.883 -0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.878 4.048 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.829 4.954 -2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.967 3.511 -3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.688 3.669 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.786 1.449 -2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.038 1.289 -3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.731 1.800 -1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.411 1.635 -0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.295 -0.475 -0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.030 -0.618 -1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.627 -0.424 -2.393 1.00 0.00 H new ATOM 697 N VAL A 49 3.240 4.663 0.629 1.00 0.00 N ATOM 698 CA VAL A 49 2.506 5.729 1.271 1.00 0.00 C ATOM 699 C VAL A 49 2.914 7.058 0.638 1.00 0.00 C ATOM 700 O VAL A 49 4.031 7.547 0.817 1.00 0.00 O ATOM 701 CB VAL A 49 2.693 5.739 2.824 1.00 0.00 C ATOM 702 CG1 VAL A 49 2.784 7.153 3.371 1.00 0.00 C ATOM 703 CG2 VAL A 49 1.528 5.042 3.487 1.00 0.00 C ATOM 0 H VAL A 49 4.011 4.282 1.177 1.00 0.00 H new ATOM 0 HA VAL A 49 1.440 5.564 1.111 1.00 0.00 H new ATOM 0 HB VAL A 49 3.626 5.219 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.913 7.117 4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.635 7.663 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.869 7.695 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.665 5.053 4.568 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.603 5.559 3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.475 4.011 3.138 1.00 0.00 H new ATOM 713 N ALA A 50 2.025 7.589 -0.178 1.00 0.00 N ATOM 714 CA ALA A 50 2.229 8.877 -0.799 1.00 0.00 C ATOM 715 C ALA A 50 1.708 9.954 0.128 1.00 0.00 C ATOM 716 O ALA A 50 2.207 11.080 0.166 1.00 0.00 O ATOM 717 CB ALA A 50 1.486 8.909 -2.116 1.00 0.00 C ATOM 0 H ALA A 50 1.144 7.139 -0.427 1.00 0.00 H new ATOM 0 HA ALA A 50 3.289 9.050 -0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.633 9.878 -2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.866 8.122 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.422 8.751 -1.938 1.00 0.00 H new ATOM 723 N ALA A 51 0.688 9.575 0.871 1.00 0.00 N ATOM 724 CA ALA A 51 0.049 10.438 1.836 1.00 0.00 C ATOM 725 C ALA A 51 -0.531 9.594 2.949 1.00 0.00 C ATOM 726 O ALA A 51 -0.715 8.391 2.771 1.00 0.00 O ATOM 727 CB ALA A 51 -1.063 11.212 1.164 1.00 0.00 C ATOM 0 H ALA A 51 0.275 8.644 0.818 1.00 0.00 H new ATOM 0 HA ALA A 51 0.781 11.135 2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.545 11.863 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.650 11.815 0.356 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.797 10.516 0.758 1.00 0.00 H new ATOM 733 N GLY A 52 -0.818 10.218 4.079 1.00 0.00 N ATOM 734 CA GLY A 52 -1.525 9.538 5.145 1.00 0.00 C ATOM 735 C GLY A 52 -0.751 8.375 5.735 1.00 0.00 C ATOM 736 O GLY A 52 0.462 8.268 5.547 1.00 0.00 O ATOM 0 H GLY A 52 -0.573 11.188 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.750 10.254 5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.479 9.174 4.764 1.00 0.00 H new ATOM 740 N THR A 53 -1.449 7.506 6.454 1.00 0.00 N ATOM 741 CA THR A 53 -0.817 6.358 7.080 1.00 0.00 C ATOM 742 C THR A 53 -1.686 5.111 6.978 1.00 0.00 C ATOM 743 O THR A 53 -2.885 5.187 6.691 1.00 0.00 O ATOM 744 CB THR A 53 -0.499 6.632 8.559 1.00 0.00 C ATOM 745 OG1 THR A 53 -1.676 7.093 9.241 1.00 0.00 O ATOM 746 CG2 THR A 53 0.596 7.675 8.690 1.00 0.00 C ATOM 0 H THR A 53 -2.453 7.576 6.617 1.00 0.00 H new ATOM 0 HA THR A 53 0.113 6.183 6.540 1.00 0.00 H new ATOM 0 HB THR A 53 -0.157 5.700 9.009 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.195 6.323 9.555 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.805 7.853 9.745 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.500 7.318 8.197 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.271 8.604 8.223 1.00 0.00 H new ATOM 754 N VAL A 54 -1.063 3.968 7.224 1.00 0.00 N ATOM 755 CA VAL A 54 -1.714 2.670 7.121 1.00 0.00 C ATOM 756 C VAL A 54 -1.246 1.776 8.271 1.00 0.00 C ATOM 757 O VAL A 54 -0.255 2.091 8.935 1.00 0.00 O ATOM 758 CB VAL A 54 -1.355 1.979 5.797 1.00 0.00 C ATOM 759 CG1 VAL A 54 -1.763 2.826 4.596 1.00 0.00 C ATOM 760 CG2 VAL A 54 0.134 1.674 5.770 1.00 0.00 C ATOM 0 H VAL A 54 -0.083 3.915 7.503 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.792 2.826 7.164 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.911 1.044 5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.494 2.307 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.840 2.992 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.247 3.785 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.388 1.184 4.830 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.697 2.603 5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.386 1.016 6.602 1.00 0.00 H new ATOM 770 N ASP A 55 -1.938 0.670 8.502 1.00 0.00 N ATOM 771 CA ASP A 55 -1.503 -0.292 9.505 1.00 0.00 C ATOM 772 C ASP A 55 -0.883 -1.512 8.844 1.00 0.00 C ATOM 773 O ASP A 55 -1.579 -2.449 8.461 1.00 0.00 O ATOM 774 CB ASP A 55 -2.665 -0.730 10.400 1.00 0.00 C ATOM 775 CG ASP A 55 -2.236 -1.751 11.438 1.00 0.00 C ATOM 776 OD1 ASP A 55 -1.224 -1.514 12.130 1.00 0.00 O ATOM 777 OD2 ASP A 55 -2.901 -2.800 11.561 1.00 0.00 O ATOM 0 H ASP A 55 -2.797 0.417 8.013 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.755 0.201 10.126 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.083 0.142 10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.457 -1.153 9.783 1.00 0.00 H new ATOM 782 N GLN A 56 0.433 -1.482 8.724 1.00 0.00 N ATOM 783 CA GLN A 56 1.204 -2.604 8.203 1.00 0.00 C ATOM 784 C GLN A 56 2.114 -3.106 9.310 1.00 0.00 C ATOM 785 O GLN A 56 3.327 -3.226 9.133 1.00 0.00 O ATOM 786 CB GLN A 56 2.028 -2.175 6.984 1.00 0.00 C ATOM 787 CG GLN A 56 2.756 -0.864 7.204 1.00 0.00 C ATOM 788 CD GLN A 56 3.867 -0.627 6.221 1.00 0.00 C ATOM 789 OE1 GLN A 56 4.413 -1.558 5.633 1.00 0.00 O ATOM 790 NE2 GLN A 56 4.228 0.631 6.072 1.00 0.00 N ATOM 0 H GLN A 56 1.002 -0.677 8.986 1.00 0.00 H new ATOM 0 HA GLN A 56 0.532 -3.399 7.881 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.753 -2.954 6.748 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.370 -2.080 6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.041 -0.044 7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.165 -0.849 8.214 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.740 1.366 6.585 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.995 0.870 5.444 1.00 0.00 H new ATOM 799 N SER A 57 1.502 -3.381 10.457 1.00 0.00 N ATOM 800 CA SER A 57 2.226 -3.671 11.688 1.00 0.00 C ATOM 801 C SER A 57 3.270 -4.769 11.497 1.00 0.00 C ATOM 802 O SER A 57 4.368 -4.689 12.050 1.00 0.00 O ATOM 803 CB SER A 57 1.239 -4.060 12.791 1.00 0.00 C ATOM 804 OG SER A 57 1.866 -4.084 14.063 1.00 0.00 O ATOM 0 H SER A 57 0.487 -3.409 10.559 1.00 0.00 H new ATOM 0 HA SER A 57 2.761 -2.767 11.979 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.410 -3.352 12.806 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.816 -5.041 12.574 1.00 0.00 H new ATOM 0 HG SER A 57 1.210 -4.334 14.747 1.00 0.00 H new ATOM 810 N ASP A 58 2.944 -5.785 10.708 1.00 0.00 N ATOM 811 CA ASP A 58 3.881 -6.874 10.480 1.00 0.00 C ATOM 812 C ASP A 58 3.788 -7.420 9.063 1.00 0.00 C ATOM 813 O ASP A 58 2.835 -8.119 8.714 1.00 0.00 O ATOM 814 CB ASP A 58 3.649 -8.005 11.484 1.00 0.00 C ATOM 815 CG ASP A 58 4.527 -9.208 11.201 1.00 0.00 C ATOM 816 OD1 ASP A 58 5.746 -9.138 11.466 1.00 0.00 O ATOM 817 OD2 ASP A 58 4.002 -10.228 10.708 1.00 0.00 O ATOM 0 H ASP A 58 2.052 -5.877 10.222 1.00 0.00 H new ATOM 0 HA ASP A 58 4.882 -6.466 10.618 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.848 -7.641 12.492 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.602 -8.306 11.455 1.00 0.00 H new ATOM 822 N GLN A 59 4.766 -7.070 8.242 1.00 0.00 N ATOM 823 CA GLN A 59 4.959 -7.723 6.957 1.00 0.00 C ATOM 824 C GLN A 59 6.437 -8.022 6.758 1.00 0.00 C ATOM 825 O GLN A 59 7.291 -7.366 7.358 1.00 0.00 O ATOM 826 CB GLN A 59 4.426 -6.866 5.803 1.00 0.00 C ATOM 827 CG GLN A 59 5.205 -5.586 5.529 1.00 0.00 C ATOM 828 CD GLN A 59 5.665 -5.490 4.081 1.00 0.00 C ATOM 829 OE1 GLN A 59 5.930 -6.503 3.437 1.00 0.00 O ATOM 830 NE2 GLN A 59 5.736 -4.278 3.545 1.00 0.00 N ATOM 0 H GLN A 59 5.442 -6.333 8.445 1.00 0.00 H new ATOM 0 HA GLN A 59 4.394 -8.655 6.957 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.421 -7.470 4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.390 -6.603 6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.581 -4.725 5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.073 -5.543 6.187 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.509 -3.458 4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.017 -4.167 2.571 1.00 0.00 H new ATOM 839 N SER A 60 6.734 -9.028 5.949 1.00 0.00 N ATOM 840 CA SER A 60 8.111 -9.383 5.649 1.00 0.00 C ATOM 841 C SER A 60 8.762 -8.297 4.803 1.00 0.00 C ATOM 842 O SER A 60 8.295 -8.018 3.698 1.00 0.00 O ATOM 843 CB SER A 60 8.150 -10.729 4.926 1.00 0.00 C ATOM 844 OG SER A 60 7.225 -10.759 3.848 1.00 0.00 O ATOM 0 H SER A 60 6.037 -9.613 5.488 1.00 0.00 H new ATOM 0 HA SER A 60 8.671 -9.470 6.580 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.156 -10.914 4.551 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.920 -11.529 5.629 1.00 0.00 H new ATOM 0 HG SER A 60 7.312 -9.938 3.320 1.00 0.00 H new ATOM 850 N PHE A 61 9.830 -7.695 5.341 1.00 0.00 N ATOM 851 CA PHE A 61 10.513 -6.554 4.718 1.00 0.00 C ATOM 852 C PHE A 61 9.675 -5.286 4.949 1.00 0.00 C ATOM 853 O PHE A 61 8.623 -5.360 5.583 1.00 0.00 O ATOM 854 CB PHE A 61 10.765 -6.823 3.219 1.00 0.00 C ATOM 855 CG PHE A 61 11.932 -6.088 2.602 1.00 0.00 C ATOM 856 CD1 PHE A 61 12.952 -5.557 3.381 1.00 0.00 C ATOM 857 CD2 PHE A 61 12.012 -5.951 1.224 1.00 0.00 C ATOM 858 CE1 PHE A 61 14.021 -4.904 2.795 1.00 0.00 C ATOM 859 CE2 PHE A 61 13.076 -5.297 0.634 1.00 0.00 C ATOM 860 CZ PHE A 61 14.083 -4.772 1.421 1.00 0.00 C ATOM 0 H PHE A 61 10.247 -7.987 6.225 1.00 0.00 H new ATOM 0 HA PHE A 61 11.491 -6.408 5.176 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.922 -7.893 3.084 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.863 -6.561 2.666 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.910 -5.655 4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.230 -6.362 0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 61 14.808 -4.497 3.412 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.121 -5.196 -0.440 1.00 0.00 H new ATOM 0 HZ PHE A 61 14.916 -4.260 0.963 1.00 0.00 H new ATOM 870 N LEU A 62 10.142 -4.139 4.444 1.00 0.00 N ATOM 871 CA LEU A 62 9.513 -2.836 4.708 1.00 0.00 C ATOM 872 C LEU A 62 9.484 -2.546 6.217 1.00 0.00 C ATOM 873 O LEU A 62 8.662 -3.093 6.951 1.00 0.00 O ATOM 874 CB LEU A 62 8.098 -2.821 4.119 1.00 0.00 C ATOM 875 CG LEU A 62 7.427 -1.458 3.893 1.00 0.00 C ATOM 876 CD1 LEU A 62 7.330 -0.643 5.170 1.00 0.00 C ATOM 877 CD2 LEU A 62 8.152 -0.690 2.809 1.00 0.00 C ATOM 0 H LEU A 62 10.964 -4.085 3.842 1.00 0.00 H new ATOM 0 HA LEU A 62 10.100 -2.051 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.129 -3.341 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.455 -3.405 4.778 1.00 0.00 H new ATOM 0 HG LEU A 62 6.404 -1.646 3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.848 0.311 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.742 -1.190 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.330 -0.464 5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.666 0.274 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.189 -0.531 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.124 -1.259 1.880 1.00 0.00 H new ATOM 889 N ASP A 63 10.371 -1.675 6.676 1.00 0.00 N ATOM 890 CA ASP A 63 10.445 -1.365 8.104 1.00 0.00 C ATOM 891 C ASP A 63 9.680 -0.084 8.418 1.00 0.00 C ATOM 892 O ASP A 63 9.124 0.546 7.517 1.00 0.00 O ATOM 893 CB ASP A 63 11.899 -1.210 8.563 1.00 0.00 C ATOM 894 CG ASP A 63 12.099 -1.612 10.015 1.00 0.00 C ATOM 895 OD1 ASP A 63 11.867 -0.770 10.906 1.00 0.00 O ATOM 896 OD2 ASP A 63 12.481 -2.773 10.275 1.00 0.00 O ATOM 0 H ASP A 63 11.042 -1.175 6.094 1.00 0.00 H new ATOM 0 HA ASP A 63 9.992 -2.198 8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.543 -1.819 7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.210 -0.174 8.431 1.00 0.00 H new ATOM 901 N ASP A 64 9.674 0.312 9.684 1.00 0.00 N ATOM 902 CA ASP A 64 9.043 1.566 10.100 1.00 0.00 C ATOM 903 C ASP A 64 9.726 2.730 9.403 1.00 0.00 C ATOM 904 O ASP A 64 9.092 3.717 9.022 1.00 0.00 O ATOM 905 CB ASP A 64 9.153 1.738 11.616 1.00 0.00 C ATOM 906 CG ASP A 64 8.480 3.005 12.109 1.00 0.00 C ATOM 907 OD1 ASP A 64 7.245 2.993 12.293 1.00 0.00 O ATOM 908 OD2 ASP A 64 9.182 4.016 12.319 1.00 0.00 O ATOM 0 H ASP A 64 10.099 -0.216 10.446 1.00 0.00 H new ATOM 0 HA ASP A 64 7.988 1.541 9.825 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.703 0.876 12.109 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.205 1.755 11.901 1.00 0.00 H new ATOM 913 N ALA A 65 11.028 2.566 9.210 1.00 0.00 N ATOM 914 CA ALA A 65 11.852 3.539 8.518 1.00 0.00 C ATOM 915 C ALA A 65 11.314 3.806 7.121 1.00 0.00 C ATOM 916 O ALA A 65 11.289 4.944 6.656 1.00 0.00 O ATOM 917 CB ALA A 65 13.280 3.021 8.444 1.00 0.00 C ATOM 0 H ALA A 65 11.543 1.747 9.533 1.00 0.00 H new ATOM 0 HA ALA A 65 11.833 4.479 9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.904 3.748 7.925 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.664 2.867 9.452 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.296 2.076 7.902 1.00 0.00 H new ATOM 923 N GLN A 66 10.860 2.749 6.465 1.00 0.00 N ATOM 924 CA GLN A 66 10.319 2.854 5.129 1.00 0.00 C ATOM 925 C GLN A 66 9.024 3.661 5.112 1.00 0.00 C ATOM 926 O GLN A 66 8.749 4.352 4.146 1.00 0.00 O ATOM 927 CB GLN A 66 10.091 1.459 4.572 1.00 0.00 C ATOM 928 CG GLN A 66 11.341 0.617 4.510 1.00 0.00 C ATOM 929 CD GLN A 66 12.316 1.087 3.455 1.00 0.00 C ATOM 930 OE1 GLN A 66 12.395 2.275 3.132 1.00 0.00 O ATOM 931 NE2 GLN A 66 13.062 0.154 2.906 1.00 0.00 N ATOM 0 H GLN A 66 10.858 1.803 6.845 1.00 0.00 H new ATOM 0 HA GLN A 66 11.036 3.384 4.502 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.350 0.949 5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.670 1.542 3.570 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.832 0.632 5.483 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.066 -0.418 4.308 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.965 -0.817 3.203 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.738 0.401 2.183 1.00 0.00 H new ATOM 940 N MET A 67 8.223 3.577 6.170 1.00 0.00 N ATOM 941 CA MET A 67 7.022 4.400 6.268 1.00 0.00 C ATOM 942 C MET A 67 7.364 5.873 6.369 1.00 0.00 C ATOM 943 O MET A 67 6.659 6.717 5.816 1.00 0.00 O ATOM 944 CB MET A 67 6.164 3.988 7.448 1.00 0.00 C ATOM 945 CG MET A 67 4.865 3.379 6.997 1.00 0.00 C ATOM 946 SD MET A 67 3.793 2.883 8.360 1.00 0.00 S ATOM 947 CE MET A 67 4.858 1.726 9.220 1.00 0.00 C ATOM 0 H MET A 67 8.381 2.955 6.963 1.00 0.00 H new ATOM 0 HA MET A 67 6.453 4.240 5.352 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.709 3.272 8.063 1.00 0.00 H new ATOM 0 HB3 MET A 67 5.962 4.857 8.074 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.335 4.096 6.370 1.00 0.00 H new ATOM 0 HG3 MET A 67 5.077 2.508 6.376 1.00 0.00 H new ATOM 0 HE1 MET A 67 4.256 0.918 9.637 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.586 1.313 8.521 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.381 2.242 10.025 1.00 0.00 H new ATOM 957 N GLY A 68 8.447 6.179 7.068 1.00 0.00 N ATOM 958 CA GLY A 68 8.930 7.543 7.105 1.00 0.00 C ATOM 959 C GLY A 68 9.429 7.976 5.741 1.00 0.00 C ATOM 960 O GLY A 68 9.532 9.164 5.445 1.00 0.00 O ATOM 0 H GLY A 68 8.997 5.511 7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.130 8.208 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.735 7.629 7.835 1.00 0.00 H new ATOM 964 N ASN A 69 9.738 6.986 4.916 1.00 0.00 N ATOM 965 CA ASN A 69 10.143 7.206 3.539 1.00 0.00 C ATOM 966 C ASN A 69 8.924 7.245 2.620 1.00 0.00 C ATOM 967 O ASN A 69 8.985 7.734 1.493 1.00 0.00 O ATOM 968 CB ASN A 69 11.061 6.067 3.106 1.00 0.00 C ATOM 969 CG ASN A 69 12.465 6.172 3.669 1.00 0.00 C ATOM 970 OD1 ASN A 69 12.967 7.265 3.934 1.00 0.00 O ATOM 971 ND2 ASN A 69 13.115 5.032 3.857 1.00 0.00 N ATOM 0 H ASN A 69 9.714 6.003 5.187 1.00 0.00 H new ATOM 0 HA ASN A 69 10.663 8.161 3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.623 5.119 3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.115 6.049 2.018 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.063 5.042 4.233 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.667 4.145 3.626 1.00 0.00 H new ATOM 978 N GLY A 70 7.814 6.730 3.128 1.00 0.00 N ATOM 979 CA GLY A 70 6.579 6.681 2.363 1.00 0.00 C ATOM 980 C GLY A 70 6.393 5.349 1.666 1.00 0.00 C ATOM 981 O GLY A 70 5.846 5.284 0.570 1.00 0.00 O ATOM 0 H GLY A 70 7.744 6.340 4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.734 6.863 3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.580 7.480 1.622 1.00 0.00 H new ATOM 985 N PHE A 71 6.872 4.283 2.288 1.00 0.00 N ATOM 986 CA PHE A 71 6.755 2.946 1.722 1.00 0.00 C ATOM 987 C PHE A 71 6.024 2.025 2.689 1.00 0.00 C ATOM 988 O PHE A 71 6.250 2.077 3.898 1.00 0.00 O ATOM 989 CB PHE A 71 8.143 2.394 1.386 1.00 0.00 C ATOM 990 CG PHE A 71 8.954 3.318 0.527 1.00 0.00 C ATOM 991 CD1 PHE A 71 8.368 3.952 -0.546 1.00 0.00 C ATOM 992 CD2 PHE A 71 10.291 3.550 0.789 1.00 0.00 C ATOM 993 CE1 PHE A 71 9.085 4.807 -1.350 1.00 0.00 C ATOM 994 CE2 PHE A 71 11.024 4.407 -0.013 1.00 0.00 C ATOM 995 CZ PHE A 71 10.419 5.037 -1.084 1.00 0.00 C ATOM 0 H PHE A 71 7.348 4.317 3.189 1.00 0.00 H new ATOM 0 HA PHE A 71 6.175 3.001 0.801 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.684 2.201 2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.033 1.437 0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.325 3.774 -0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.767 3.059 1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.606 5.296 -2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.068 4.583 0.198 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.989 5.707 -1.711 1.00 0.00 H new ATOM 1005 N VAL A 72 5.146 1.183 2.150 1.00 0.00 N ATOM 1006 CA VAL A 72 4.203 0.413 2.958 1.00 0.00 C ATOM 1007 C VAL A 72 3.857 -0.921 2.301 1.00 0.00 C ATOM 1008 O VAL A 72 4.418 -1.277 1.274 1.00 0.00 O ATOM 1009 CB VAL A 72 2.903 1.218 3.179 1.00 0.00 C ATOM 1010 CG1 VAL A 72 3.189 2.489 3.944 1.00 0.00 C ATOM 1011 CG2 VAL A 72 2.239 1.526 1.839 1.00 0.00 C ATOM 0 H VAL A 72 5.068 1.015 1.147 1.00 0.00 H new ATOM 0 HA VAL A 72 4.685 0.214 3.915 1.00 0.00 H new ATOM 0 HB VAL A 72 2.215 0.616 3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.261 3.042 4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.620 2.241 4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.893 3.102 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.324 2.094 2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.920 2.111 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.998 0.593 1.329 1.00 0.00 H new ATOM 1021 N LEU A 73 2.985 -1.681 2.946 1.00 0.00 N ATOM 1022 CA LEU A 73 2.399 -2.873 2.348 1.00 0.00 C ATOM 1023 C LEU A 73 0.911 -2.654 2.152 1.00 0.00 C ATOM 1024 O LEU A 73 0.262 -2.085 3.013 1.00 0.00 O ATOM 1025 CB LEU A 73 2.603 -4.102 3.229 1.00 0.00 C ATOM 1026 CG LEU A 73 1.966 -5.386 2.688 1.00 0.00 C ATOM 1027 CD1 LEU A 73 2.720 -5.902 1.473 1.00 0.00 C ATOM 1028 CD2 LEU A 73 1.905 -6.448 3.762 1.00 0.00 C ATOM 0 H LEU A 73 2.664 -1.491 3.895 1.00 0.00 H new ATOM 0 HA LEU A 73 2.894 -3.048 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.673 -4.268 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.192 -3.897 4.218 1.00 0.00 H new ATOM 0 HG LEU A 73 0.948 -5.148 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.246 -6.814 1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.703 -5.147 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.753 -6.115 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.449 -7.351 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.914 -6.675 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.308 -6.085 4.599 1.00 0.00 H new ATOM 1040 N THR A 74 0.378 -3.040 1.007 1.00 0.00 N ATOM 1041 CA THR A 74 -1.055 -2.935 0.795 1.00 0.00 C ATOM 1042 C THR A 74 -1.769 -4.263 1.096 1.00 0.00 C ATOM 1043 O THR A 74 -2.930 -4.263 1.498 1.00 0.00 O ATOM 1044 CB THR A 74 -1.387 -2.434 -0.633 1.00 0.00 C ATOM 1045 OG1 THR A 74 -2.800 -2.273 -0.786 1.00 0.00 O ATOM 1046 CG2 THR A 74 -0.866 -3.383 -1.699 1.00 0.00 C ATOM 0 H THR A 74 0.904 -3.423 0.222 1.00 0.00 H new ATOM 0 HA THR A 74 -1.429 -2.191 1.499 1.00 0.00 H new ATOM 0 HB THR A 74 -0.891 -1.472 -0.763 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.980 -1.556 -1.429 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.119 -2.996 -2.686 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.217 -3.471 -1.610 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.321 -4.364 -1.566 1.00 0.00 H new ATOM 1054 N CYS A 75 -1.059 -5.386 0.919 1.00 0.00 N ATOM 1055 CA CYS A 75 -1.650 -6.728 1.052 1.00 0.00 C ATOM 1056 C CYS A 75 -2.195 -6.983 2.458 1.00 0.00 C ATOM 1057 O CYS A 75 -3.336 -7.405 2.628 1.00 0.00 O ATOM 1058 CB CYS A 75 -0.594 -7.784 0.728 1.00 0.00 C ATOM 1059 SG CYS A 75 -1.133 -9.117 -0.377 1.00 0.00 S ATOM 0 H CYS A 75 -0.067 -5.392 0.682 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.484 -6.789 0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 75 0.265 -7.287 0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -0.251 -8.227 1.663 1.00 0.00 H new ATOM 1064 N VAL A 76 -1.380 -6.725 3.466 1.00 0.00 N ATOM 1065 CA VAL A 76 -1.769 -7.004 4.842 1.00 0.00 C ATOM 1066 C VAL A 76 -1.748 -5.719 5.641 1.00 0.00 C ATOM 1067 O VAL A 76 -1.174 -5.644 6.729 1.00 0.00 O ATOM 1068 CB VAL A 76 -0.830 -8.033 5.504 1.00 0.00 C ATOM 1069 CG1 VAL A 76 -1.490 -8.668 6.719 1.00 0.00 C ATOM 1070 CG2 VAL A 76 -0.413 -9.094 4.507 1.00 0.00 C ATOM 0 H VAL A 76 -0.448 -6.324 3.361 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.774 -7.426 4.828 1.00 0.00 H new ATOM 0 HB VAL A 76 0.064 -7.508 5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.808 -9.390 7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.731 -7.894 7.448 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.405 -9.175 6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.249 -9.810 4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.297 -9.612 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.110 -8.625 3.674 1.00 0.00 H new ATOM 1080 N ALA A 77 -2.367 -4.698 5.083 1.00 0.00 N ATOM 1081 CA ALA A 77 -2.378 -3.398 5.702 1.00 0.00 C ATOM 1082 C ALA A 77 -3.539 -2.588 5.191 1.00 0.00 C ATOM 1083 O ALA A 77 -4.031 -2.809 4.082 1.00 0.00 O ATOM 1084 CB ALA A 77 -1.079 -2.668 5.441 1.00 0.00 C ATOM 0 H ALA A 77 -2.870 -4.749 4.197 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.486 -3.533 6.778 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.110 -1.688 5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.249 -3.245 5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.941 -2.544 4.367 1.00 0.00 H new ATOM 1090 N TYR A 78 -3.981 -1.664 6.007 1.00 0.00 N ATOM 1091 CA TYR A 78 -5.062 -0.787 5.648 1.00 0.00 C ATOM 1092 C TYR A 78 -4.866 0.578 6.263 1.00 0.00 C ATOM 1093 O TYR A 78 -4.135 0.719 7.229 1.00 0.00 O ATOM 1094 CB TYR A 78 -6.378 -1.384 6.089 1.00 0.00 C ATOM 1095 CG TYR A 78 -6.307 -2.153 7.387 1.00 0.00 C ATOM 1096 CD1 TYR A 78 -6.247 -1.493 8.598 1.00 0.00 C ATOM 1097 CD2 TYR A 78 -6.300 -3.544 7.393 1.00 0.00 C ATOM 1098 CE1 TYR A 78 -6.179 -2.194 9.785 1.00 0.00 C ATOM 1099 CE2 TYR A 78 -6.240 -4.249 8.571 1.00 0.00 C ATOM 1100 CZ TYR A 78 -6.180 -3.574 9.766 1.00 0.00 C ATOM 1101 OH TYR A 78 -6.109 -4.281 10.943 1.00 0.00 O ATOM 0 H TYR A 78 -3.600 -1.500 6.939 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.074 -0.671 4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.110 -0.583 6.194 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.743 -2.049 5.306 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.253 -0.413 8.617 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.342 -4.079 6.456 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.125 -1.665 10.725 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.240 -5.329 8.557 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.122 -5.242 10.749 1.00 0.00 H new ATOM 1111 N PRO A 79 -5.527 1.596 5.712 1.00 0.00 N ATOM 1112 CA PRO A 79 -5.359 2.976 6.146 1.00 0.00 C ATOM 1113 C PRO A 79 -5.760 3.167 7.592 1.00 0.00 C ATOM 1114 O PRO A 79 -6.848 2.779 8.006 1.00 0.00 O ATOM 1115 CB PRO A 79 -6.305 3.757 5.233 1.00 0.00 C ATOM 1116 CG PRO A 79 -7.300 2.750 4.792 1.00 0.00 C ATOM 1117 CD PRO A 79 -6.525 1.484 4.648 1.00 0.00 C ATOM 0 HA PRO A 79 -4.320 3.299 6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.781 4.581 5.764 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.773 4.189 4.385 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -8.102 2.641 5.522 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.764 3.039 3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.157 0.605 4.776 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -6.062 1.402 3.665 1.00 0.00 H new ATOM 1125 N THR A 80 -4.860 3.730 8.362 1.00 0.00 N ATOM 1126 CA THR A 80 -5.181 4.138 9.713 1.00 0.00 C ATOM 1127 C THR A 80 -5.612 5.594 9.707 1.00 0.00 C ATOM 1128 O THR A 80 -6.062 6.136 10.716 1.00 0.00 O ATOM 1129 CB THR A 80 -3.978 3.938 10.643 1.00 0.00 C ATOM 1130 OG1 THR A 80 -2.790 4.410 9.995 1.00 0.00 O ATOM 1131 CG2 THR A 80 -3.820 2.472 10.999 1.00 0.00 C ATOM 0 H THR A 80 -3.898 3.917 8.078 1.00 0.00 H new ATOM 0 HA THR A 80 -5.997 3.520 10.087 1.00 0.00 H new ATOM 0 HB THR A 80 -4.144 4.502 11.561 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.021 4.284 10.589 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.962 2.348 11.659 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.720 2.121 11.504 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.665 1.891 10.090 1.00 0.00 H new ATOM 1139 N SER A 81 -5.460 6.213 8.543 1.00 0.00 N ATOM 1140 CA SER A 81 -5.933 7.563 8.307 1.00 0.00 C ATOM 1141 C SER A 81 -6.278 7.725 6.833 1.00 0.00 C ATOM 1142 O SER A 81 -6.010 6.836 6.021 1.00 0.00 O ATOM 1143 CB SER A 81 -4.866 8.588 8.670 1.00 0.00 C ATOM 1144 OG SER A 81 -4.170 8.230 9.854 1.00 0.00 O ATOM 0 H SER A 81 -5.003 5.788 7.736 1.00 0.00 H new ATOM 0 HA SER A 81 -6.812 7.730 8.930 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.158 8.682 7.847 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.331 9.565 8.803 1.00 0.00 H new ATOM 0 HG SER A 81 -3.298 7.849 9.619 1.00 0.00 H new ATOM 1150 N ASP A 82 -6.858 8.862 6.499 1.00 0.00 N ATOM 1151 CA ASP A 82 -7.140 9.210 5.114 1.00 0.00 C ATOM 1152 C ASP A 82 -5.830 9.476 4.395 1.00 0.00 C ATOM 1153 O ASP A 82 -5.021 10.288 4.853 1.00 0.00 O ATOM 1154 CB ASP A 82 -8.048 10.434 5.063 1.00 0.00 C ATOM 1155 CG ASP A 82 -8.124 11.084 3.699 1.00 0.00 C ATOM 1156 OD1 ASP A 82 -7.285 11.963 3.405 1.00 0.00 O ATOM 1157 OD2 ASP A 82 -9.043 10.745 2.928 1.00 0.00 O ATOM 0 H ASP A 82 -7.147 9.570 7.175 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.654 8.386 4.619 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.052 10.143 5.372 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.692 11.169 5.785 1.00 0.00 H new ATOM 1162 N CYS A 83 -5.614 8.794 3.288 1.00 0.00 N ATOM 1163 CA CYS A 83 -4.289 8.777 2.676 1.00 0.00 C ATOM 1164 C CYS A 83 -4.335 8.654 1.156 1.00 0.00 C ATOM 1165 O CYS A 83 -5.400 8.656 0.541 1.00 0.00 O ATOM 1166 CB CYS A 83 -3.496 7.614 3.272 1.00 0.00 C ATOM 1167 SG CYS A 83 -4.242 5.990 3.022 1.00 0.00 S ATOM 0 H CYS A 83 -6.323 8.250 2.796 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.807 9.731 2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.497 7.611 2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.376 7.784 4.342 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.489 5.079 3.563 1.00 0.00 H new ATOM 1173 N THR A 84 -3.148 8.581 0.576 1.00 0.00 N ATOM 1174 CA THR A 84 -2.951 8.352 -0.845 1.00 0.00 C ATOM 1175 C THR A 84 -1.825 7.353 -1.000 1.00 0.00 C ATOM 1176 O THR A 84 -0.710 7.613 -0.558 1.00 0.00 O ATOM 1177 CB THR A 84 -2.563 9.642 -1.589 1.00 0.00 C ATOM 1178 OG1 THR A 84 -3.672 10.548 -1.630 1.00 0.00 O ATOM 1179 CG2 THR A 84 -2.066 9.329 -3.004 1.00 0.00 C ATOM 0 H THR A 84 -2.275 8.682 1.093 1.00 0.00 H new ATOM 0 HA THR A 84 -3.886 7.987 -1.271 1.00 0.00 H new ATOM 0 HB THR A 84 -1.748 10.118 -1.045 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.410 11.364 -2.105 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.798 10.257 -3.509 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.191 8.681 -2.947 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.855 8.826 -3.564 1.00 0.00 H new ATOM 1187 N ILE A 85 -2.097 6.219 -1.610 1.00 0.00 N ATOM 1188 CA ILE A 85 -1.153 5.127 -1.594 1.00 0.00 C ATOM 1189 C ILE A 85 -0.837 4.640 -2.998 1.00 0.00 C ATOM 1190 O ILE A 85 -1.703 4.188 -3.732 1.00 0.00 O ATOM 1191 CB ILE A 85 -1.657 3.950 -0.735 1.00 0.00 C ATOM 1192 CG1 ILE A 85 -1.931 4.401 0.714 1.00 0.00 C ATOM 1193 CG2 ILE A 85 -0.646 2.815 -0.760 1.00 0.00 C ATOM 1194 CD1 ILE A 85 -0.928 5.377 1.280 1.00 0.00 C ATOM 0 H ILE A 85 -2.960 6.032 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.238 5.515 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.596 3.593 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.921 4.856 0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.958 3.519 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.011 1.989 -0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.506 2.475 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.306 3.167 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.207 5.634 2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.063 4.923 1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.915 6.280 0.670 1.00 0.00 H new ATOM 1206 N GLN A 86 0.421 4.750 -3.347 1.00 0.00 N ATOM 1207 CA GLN A 86 0.937 4.293 -4.620 1.00 0.00 C ATOM 1208 C GLN A 86 0.972 2.764 -4.635 1.00 0.00 C ATOM 1209 O GLN A 86 1.338 2.140 -3.648 1.00 0.00 O ATOM 1210 CB GLN A 86 2.335 4.864 -4.751 1.00 0.00 C ATOM 1211 CG GLN A 86 2.530 5.864 -5.875 1.00 0.00 C ATOM 1212 CD GLN A 86 3.786 6.701 -5.677 1.00 0.00 C ATOM 1213 OE1 GLN A 86 3.863 7.841 -6.128 1.00 0.00 O ATOM 1214 NE2 GLN A 86 4.767 6.149 -4.975 1.00 0.00 N ATOM 0 H GLN A 86 1.131 5.167 -2.745 1.00 0.00 H new ATOM 0 HA GLN A 86 0.312 4.619 -5.451 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.602 5.345 -3.810 1.00 0.00 H new ATOM 0 HB3 GLN A 86 3.033 4.040 -4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.593 5.334 -6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.661 6.520 -5.932 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.666 5.199 -4.617 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.622 6.674 -4.793 1.00 0.00 H new ATOM 1223 N THR A 87 0.595 2.170 -5.756 1.00 0.00 N ATOM 1224 CA THR A 87 0.384 0.725 -5.812 1.00 0.00 C ATOM 1225 C THR A 87 1.639 -0.076 -6.181 1.00 0.00 C ATOM 1226 O THR A 87 2.304 -0.650 -5.325 1.00 0.00 O ATOM 1227 CB THR A 87 -0.727 0.400 -6.825 1.00 0.00 C ATOM 1228 OG1 THR A 87 -0.441 1.035 -8.080 1.00 0.00 O ATOM 1229 CG2 THR A 87 -2.071 0.876 -6.318 1.00 0.00 C ATOM 0 H THR A 87 0.429 2.659 -6.636 1.00 0.00 H new ATOM 0 HA THR A 87 0.102 0.426 -4.803 1.00 0.00 H new ATOM 0 HB THR A 87 -0.764 -0.681 -6.958 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.346 0.353 -8.777 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.842 0.636 -7.050 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.300 0.381 -5.374 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.040 1.955 -6.164 1.00 0.00 H new ATOM 1237 N HIS A 88 1.957 -0.078 -7.465 1.00 0.00 N ATOM 1238 CA HIS A 88 2.908 -1.035 -8.061 1.00 0.00 C ATOM 1239 C HIS A 88 4.380 -0.683 -7.833 1.00 0.00 C ATOM 1240 O HIS A 88 5.257 -1.211 -8.514 1.00 0.00 O ATOM 1241 CB HIS A 88 2.647 -1.128 -9.563 1.00 0.00 C ATOM 1242 CG HIS A 88 1.355 -1.800 -9.915 1.00 0.00 C ATOM 1243 ND1 HIS A 88 0.128 -1.358 -9.465 1.00 0.00 N ATOM 1244 CD2 HIS A 88 1.103 -2.900 -10.661 1.00 0.00 C ATOM 1245 CE1 HIS A 88 -0.817 -2.158 -9.915 1.00 0.00 C ATOM 1246 NE2 HIS A 88 -0.254 -3.101 -10.646 1.00 0.00 N ATOM 0 H HIS A 88 1.567 0.583 -8.137 1.00 0.00 H new ATOM 0 HA HIS A 88 2.738 -1.988 -7.560 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.649 -0.123 -9.985 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.467 -1.672 -10.031 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.834 -3.507 -11.173 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.874 -2.059 -9.719 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.747 -3.856 -11.122 1.00 0.00 H new ATOM 1255 N GLN A 89 4.654 0.187 -6.883 1.00 0.00 N ATOM 1256 CA GLN A 89 6.009 0.704 -6.692 1.00 0.00 C ATOM 1257 C GLN A 89 6.819 -0.133 -5.693 1.00 0.00 C ATOM 1258 O GLN A 89 7.537 0.420 -4.861 1.00 0.00 O ATOM 1259 CB GLN A 89 5.989 2.169 -6.263 1.00 0.00 C ATOM 1260 CG GLN A 89 4.614 2.792 -6.324 1.00 0.00 C ATOM 1261 CD GLN A 89 4.153 3.046 -7.745 1.00 0.00 C ATOM 1262 OE1 GLN A 89 4.954 3.309 -8.638 1.00 0.00 O ATOM 1263 NE2 GLN A 89 2.858 2.937 -7.964 1.00 0.00 N ATOM 0 H GLN A 89 3.964 0.555 -6.228 1.00 0.00 H new ATOM 0 HA GLN A 89 6.506 0.631 -7.659 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.371 2.247 -5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.666 2.736 -6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.900 2.137 -5.826 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.621 3.733 -5.774 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.227 2.717 -7.193 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.487 3.073 -8.904 1.00 0.00 H new ATOM 1272 N GLU A 90 6.654 -1.452 -5.732 1.00 0.00 N ATOM 1273 CA GLU A 90 7.419 -2.371 -4.873 1.00 0.00 C ATOM 1274 C GLU A 90 8.905 -2.013 -4.818 1.00 0.00 C ATOM 1275 O GLU A 90 9.516 -2.022 -3.746 1.00 0.00 O ATOM 1276 CB GLU A 90 7.289 -3.796 -5.385 1.00 0.00 C ATOM 1277 CG GLU A 90 7.638 -3.945 -6.858 1.00 0.00 C ATOM 1278 CD GLU A 90 7.385 -5.335 -7.390 1.00 0.00 C ATOM 1279 OE1 GLU A 90 8.261 -6.210 -7.231 1.00 0.00 O ATOM 1280 OE2 GLU A 90 6.311 -5.554 -7.989 1.00 0.00 O ATOM 0 H GLU A 90 5.993 -1.918 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 90 7.003 -2.281 -3.869 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.939 -4.445 -4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.267 -4.139 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.055 -3.229 -7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.688 -3.693 -7.004 1.00 0.00 H new ATOM 1287 N GLU A 91 9.454 -1.675 -5.987 1.00 0.00 N ATOM 1288 CA GLU A 91 10.860 -1.309 -6.154 1.00 0.00 C ATOM 1289 C GLU A 91 11.275 -0.254 -5.133 1.00 0.00 C ATOM 1290 O GLU A 91 12.427 -0.179 -4.726 1.00 0.00 O ATOM 1291 CB GLU A 91 11.074 -0.786 -7.582 1.00 0.00 C ATOM 1292 CG GLU A 91 12.502 -0.375 -7.910 1.00 0.00 C ATOM 1293 CD GLU A 91 13.457 -1.546 -7.865 1.00 0.00 C ATOM 1294 OE1 GLU A 91 13.755 -2.042 -6.763 1.00 0.00 O ATOM 1295 OE2 GLU A 91 13.886 -2.004 -8.944 1.00 0.00 O ATOM 0 H GLU A 91 8.924 -1.648 -6.858 1.00 0.00 H new ATOM 0 HA GLU A 91 11.480 -2.190 -5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.764 -1.558 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.420 0.071 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.530 0.077 -8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.831 0.387 -7.203 1.00 0.00 H new ATOM 1302 N ALA A 92 10.313 0.556 -4.725 1.00 0.00 N ATOM 1303 CA ALA A 92 10.573 1.691 -3.856 1.00 0.00 C ATOM 1304 C ALA A 92 11.081 1.252 -2.483 1.00 0.00 C ATOM 1305 O ALA A 92 11.888 1.939 -1.867 1.00 0.00 O ATOM 1306 CB ALA A 92 9.319 2.532 -3.719 1.00 0.00 C ATOM 0 H ALA A 92 9.333 0.446 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 92 11.360 2.291 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.520 3.381 -3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.014 2.893 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.520 1.927 -3.291 1.00 0.00 H new ATOM 1312 N LEU A 93 10.598 0.115 -2.000 1.00 0.00 N ATOM 1313 CA LEU A 93 11.082 -0.428 -0.734 1.00 0.00 C ATOM 1314 C LEU A 93 12.429 -1.116 -0.950 1.00 0.00 C ATOM 1315 O LEU A 93 13.325 -1.036 -0.109 1.00 0.00 O ATOM 1316 CB LEU A 93 10.043 -1.393 -0.127 1.00 0.00 C ATOM 1317 CG LEU A 93 10.573 -2.719 0.410 1.00 0.00 C ATOM 1318 CD1 LEU A 93 11.292 -2.507 1.731 1.00 0.00 C ATOM 1319 CD2 LEU A 93 9.432 -3.710 0.570 1.00 0.00 C ATOM 0 H LEU A 93 9.879 -0.445 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 93 11.225 0.386 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.532 -0.876 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.293 -1.609 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 93 11.289 -3.127 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.664 -3.463 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.129 -1.824 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.600 -2.082 2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.821 -4.653 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.697 -3.309 1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.959 -3.879 -0.397 1.00 0.00 H new ATOM 1331 N TYR A 94 12.571 -1.765 -2.101 1.00 0.00 N ATOM 1332 CA TYR A 94 13.775 -2.528 -2.409 1.00 0.00 C ATOM 1333 C TYR A 94 14.954 -1.596 -2.674 1.00 0.00 C ATOM 1334 O TYR A 94 16.036 -1.767 -2.112 1.00 0.00 O ATOM 1335 CB TYR A 94 13.522 -3.443 -3.604 1.00 0.00 C ATOM 1336 CG TYR A 94 14.691 -4.336 -3.949 1.00 0.00 C ATOM 1337 CD1 TYR A 94 15.099 -5.341 -3.084 1.00 0.00 C ATOM 1338 CD2 TYR A 94 15.387 -4.169 -5.137 1.00 0.00 C ATOM 1339 CE1 TYR A 94 16.169 -6.156 -3.393 1.00 0.00 C ATOM 1340 CE2 TYR A 94 16.461 -4.980 -5.453 1.00 0.00 C ATOM 1341 CZ TYR A 94 16.848 -5.972 -4.578 1.00 0.00 C ATOM 1342 OH TYR A 94 17.923 -6.779 -4.885 1.00 0.00 O ATOM 0 H TYR A 94 11.865 -1.778 -2.837 1.00 0.00 H new ATOM 0 HA TYR A 94 14.028 -3.146 -1.547 1.00 0.00 H new ATOM 0 HB2 TYR A 94 12.651 -4.065 -3.395 1.00 0.00 H new ATOM 0 HB3 TYR A 94 13.276 -2.831 -4.472 1.00 0.00 H new ATOM 0 HD1 TYR A 94 14.571 -5.488 -2.154 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.085 -3.394 -5.826 1.00 0.00 H new ATOM 0 HE1 TYR A 94 16.473 -6.935 -2.709 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.994 -4.837 -6.381 1.00 0.00 H new ATOM 0 HH TYR A 94 18.289 -6.519 -5.756 1.00 0.00 H new ATOM 1352 N GLU A 95 14.740 -0.625 -3.541 1.00 0.00 N ATOM 1353 CA GLU A 95 15.710 0.435 -3.761 1.00 0.00 C ATOM 1354 C GLU A 95 15.187 1.736 -3.177 1.00 0.00 C ATOM 1355 O GLU A 95 15.552 2.122 -2.066 1.00 0.00 O ATOM 1356 CB GLU A 95 15.999 0.645 -5.247 1.00 0.00 C ATOM 1357 CG GLU A 95 16.626 -0.542 -5.949 1.00 0.00 C ATOM 1358 CD GLU A 95 17.027 -0.200 -7.368 1.00 0.00 C ATOM 1359 OE1 GLU A 95 16.186 0.338 -8.115 1.00 0.00 O ATOM 1360 OE2 GLU A 95 18.190 -0.457 -7.744 1.00 0.00 O ATOM 0 H GLU A 95 13.897 -0.547 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 95 16.636 0.137 -3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.066 0.896 -5.752 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.661 1.504 -5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 95 17.502 -0.874 -5.392 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.921 -1.374 -5.959 1.00 0.00 H new ATOM 1367 N ASN A 96 14.304 2.392 -3.925 1.00 0.00 N ATOM 1368 CA ASN A 96 13.742 3.668 -3.500 1.00 0.00 C ATOM 1369 C ASN A 96 12.666 4.140 -4.457 1.00 0.00 C ATOM 1370 O ASN A 96 11.660 4.724 -4.051 1.00 0.00 O ATOM 1371 CB ASN A 96 14.829 4.747 -3.410 1.00 0.00 C ATOM 1372 CG ASN A 96 14.357 6.004 -2.706 1.00 0.00 C ATOM 1373 OD1 ASN A 96 14.749 7.112 -3.063 1.00 0.00 O ATOM 1374 ND2 ASN A 96 13.524 5.841 -1.695 1.00 0.00 N ATOM 0 H ASN A 96 13.963 2.060 -4.827 1.00 0.00 H new ATOM 0 HA ASN A 96 13.304 3.509 -2.515 1.00 0.00 H new ATOM 0 HB2 ASN A 96 15.692 4.343 -2.881 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.163 5.004 -4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 96 13.183 6.652 -1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.222 4.904 -1.429 1.00 0.00 H new ATOM 1381 N LEU A 97 12.906 3.881 -5.732 1.00 0.00 N ATOM 1382 CA LEU A 97 12.110 4.418 -6.843 1.00 0.00 C ATOM 1383 C LEU A 97 12.088 5.944 -6.861 1.00 0.00 C ATOM 1384 O LEU A 97 11.519 6.559 -7.765 1.00 0.00 O ATOM 1385 CB LEU A 97 10.687 3.880 -6.829 1.00 0.00 C ATOM 1386 CG LEU A 97 10.540 2.556 -7.542 1.00 0.00 C ATOM 1387 CD1 LEU A 97 9.115 2.053 -7.435 1.00 0.00 C ATOM 1388 CD2 LEU A 97 10.943 2.679 -9.003 1.00 0.00 C ATOM 0 H LEU A 97 13.672 3.281 -6.038 1.00 0.00 H new ATOM 0 HA LEU A 97 12.603 4.079 -7.754 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.359 3.766 -5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.025 4.611 -7.295 1.00 0.00 H new ATOM 0 HG LEU A 97 11.204 1.838 -7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.026 1.098 -7.954 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.854 1.921 -6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.439 2.777 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 97 10.828 1.713 -9.495 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.307 3.414 -9.495 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.983 2.998 -9.068 1.00 0.00 H new ATOM 1400 N TYR A 98 12.705 6.530 -5.845 1.00 0.00 N ATOM 1401 CA TYR A 98 12.788 7.974 -5.680 1.00 0.00 C ATOM 1402 C TYR A 98 11.384 8.568 -5.503 1.00 0.00 C ATOM 1403 O TYR A 98 11.106 9.695 -5.907 1.00 0.00 O ATOM 1404 CB TYR A 98 13.534 8.604 -6.869 1.00 0.00 C ATOM 1405 CG TYR A 98 13.796 10.089 -6.733 1.00 0.00 C ATOM 1406 CD1 TYR A 98 14.489 10.596 -5.643 1.00 0.00 C ATOM 1407 CD2 TYR A 98 13.342 10.983 -7.695 1.00 0.00 C ATOM 1408 CE1 TYR A 98 14.724 11.951 -5.516 1.00 0.00 C ATOM 1409 CE2 TYR A 98 13.573 12.338 -7.576 1.00 0.00 C ATOM 1410 CZ TYR A 98 14.264 12.817 -6.486 1.00 0.00 C ATOM 1411 OH TYR A 98 14.494 14.169 -6.364 1.00 0.00 O ATOM 0 H TYR A 98 13.169 6.008 -5.101 1.00 0.00 H new ATOM 0 HA TYR A 98 13.357 8.202 -4.779 1.00 0.00 H new ATOM 0 HB2 TYR A 98 14.487 8.090 -6.997 1.00 0.00 H new ATOM 0 HB3 TYR A 98 12.955 8.432 -7.777 1.00 0.00 H new ATOM 0 HD1 TYR A 98 14.850 9.920 -4.882 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.799 10.611 -8.551 1.00 0.00 H new ATOM 0 HE1 TYR A 98 15.265 12.330 -4.662 1.00 0.00 H new ATOM 0 HE2 TYR A 98 13.214 13.019 -8.334 1.00 0.00 H new ATOM 0 HH TYR A 98 14.105 14.638 -7.132 1.00 0.00 H new ATOM 1421 N PHE A 99 10.493 7.796 -4.892 1.00 0.00 N ATOM 1422 CA PHE A 99 9.137 8.262 -4.628 1.00 0.00 C ATOM 1423 C PHE A 99 9.001 8.741 -3.190 1.00 0.00 C ATOM 1424 O PHE A 99 8.301 8.132 -2.379 1.00 0.00 O ATOM 1425 CB PHE A 99 8.104 7.166 -4.913 1.00 0.00 C ATOM 1426 CG PHE A 99 7.859 6.914 -6.376 1.00 0.00 C ATOM 1427 CD1 PHE A 99 7.744 7.970 -7.268 1.00 0.00 C ATOM 1428 CD2 PHE A 99 7.732 5.621 -6.860 1.00 0.00 C ATOM 1429 CE1 PHE A 99 7.511 7.740 -8.611 1.00 0.00 C ATOM 1430 CE2 PHE A 99 7.500 5.387 -8.203 1.00 0.00 C ATOM 1431 CZ PHE A 99 7.390 6.448 -9.078 1.00 0.00 C ATOM 0 H PHE A 99 10.684 6.847 -4.571 1.00 0.00 H new ATOM 0 HA PHE A 99 8.943 9.098 -5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 99 8.437 6.239 -4.447 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.161 7.440 -4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.838 8.984 -6.909 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.815 4.786 -6.180 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.424 8.572 -9.294 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.405 4.375 -8.567 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.209 6.267 -10.127 1.00 0.00 H new ATOM 1441 N GLN A 100 9.684 9.829 -2.880 1.00 0.00 N ATOM 1442 CA GLN A 100 9.635 10.413 -1.551 1.00 0.00 C ATOM 1443 C GLN A 100 9.291 11.890 -1.653 1.00 0.00 C ATOM 1444 O GLN A 100 10.218 12.709 -1.820 1.00 0.00 O ATOM 1445 CB GLN A 100 10.973 10.229 -0.830 1.00 0.00 C ATOM 1446 CG GLN A 100 11.386 8.774 -0.676 1.00 0.00 C ATOM 1447 CD GLN A 100 12.692 8.615 0.073 1.00 0.00 C ATOM 1448 OE1 GLN A 100 12.709 8.485 1.294 1.00 0.00 O ATOM 1449 NE2 GLN A 100 13.798 8.629 -0.653 1.00 0.00 N ATOM 1450 OXT GLN A 100 8.092 12.227 -1.593 1.00 0.00 O ATOM 0 H GLN A 100 10.284 10.329 -3.536 1.00 0.00 H new ATOM 0 HA GLN A 100 8.864 9.904 -0.972 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.749 10.762 -1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 100 10.910 10.687 0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.601 8.231 -0.149 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.480 8.321 -1.663 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.742 8.739 -1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.707 8.530 -0.200 1.00 0.00 H new TER 1459 GLN A 100 HETATM 1460 FE1 FES A 201 2.008 -12.460 -0.564 1.00 0.00 FE HETATM 1461 FE2 FES A 201 0.710 -9.744 -1.585 1.00 0.00 FE HETATM 1462 S1 FES A 201 0.530 -11.874 -2.086 1.00 0.00 S HETATM 1463 S2 FES A 201 2.189 -10.326 -0.072 1.00 0.00 S