USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 577 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 45 GLN : amide:sc= -0.275 X(o=-0.097,f=0) USER MOD Set 1.2: A 49 TYR OH : rot 97:sc= 0.179 USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.102 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -33:sc= 1.09 USER MOD Single : A 18 LYS NZ :NH3+ -153:sc= 0.793 (180deg=0.265) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.58 X(o=-0.58,f=-0.67) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -2.17 K(o=-2.2,f=-9.7!) USER MOD Single : A 56 SER OG : rot -72:sc= -0.343 USER MOD Single : A 58 GLN : amide:sc= -3.32! C(o=-3.3!,f=-13!) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.492 (180deg=-0.866) USER MOD Single : A 63 SER OG : rot -142:sc= 1.14 USER MOD Single : A 75 SER OG : rot -81:sc= 0.0668 USER MOD Single : A 92 SER OG : rot 4:sc= -1.65! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.205 -0.009 -8.213 1.00 0.00 N ATOM 2 CA ALA A 1 -9.421 0.764 -7.843 1.00 0.00 C ATOM 3 C ALA A 1 -9.331 2.204 -8.341 1.00 0.00 C ATOM 4 O ALA A 1 -8.272 2.655 -8.776 1.00 0.00 O ATOM 5 CB ALA A 1 -9.628 0.738 -6.335 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.464 -0.765 -8.878 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.514 0.625 -8.661 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.787 -0.428 -7.358 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.278 0.293 -8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.522 1.308 -6.081 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.748 -0.293 -6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.763 1.180 -5.841 1.00 0.00 H new ATOM 13 N VAL A 2 -10.452 2.918 -8.277 1.00 0.00 N ATOM 14 CA VAL A 2 -10.506 4.305 -8.727 1.00 0.00 C ATOM 15 C VAL A 2 -10.266 5.278 -7.573 1.00 0.00 C ATOM 16 O VAL A 2 -9.865 4.878 -6.480 1.00 0.00 O ATOM 17 CB VAL A 2 -11.865 4.624 -9.383 1.00 0.00 C ATOM 18 CG1 VAL A 2 -12.011 3.875 -10.699 1.00 0.00 C ATOM 19 CG2 VAL A 2 -13.009 4.289 -8.435 1.00 0.00 C ATOM 0 H VAL A 2 -11.336 2.558 -7.917 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.712 4.429 -9.464 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.905 5.692 -9.595 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -12.976 4.112 -11.148 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.212 4.173 -11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -11.950 2.802 -10.516 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.959 4.521 -8.916 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.977 3.228 -8.187 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.910 4.878 -7.523 1.00 0.00 H new ATOM 29 N LEU A 3 -10.487 6.563 -7.841 1.00 0.00 N ATOM 30 CA LEU A 3 -10.281 7.609 -6.873 1.00 0.00 C ATOM 31 C LEU A 3 -11.339 7.627 -5.787 1.00 0.00 C ATOM 32 O LEU A 3 -12.410 7.036 -5.919 1.00 0.00 O ATOM 33 CB LEU A 3 -10.271 8.960 -7.594 1.00 0.00 C ATOM 34 CG LEU A 3 -8.890 9.508 -7.923 1.00 0.00 C ATOM 35 CD1 LEU A 3 -7.876 8.926 -6.964 1.00 0.00 C ATOM 36 CD2 LEU A 3 -8.514 9.188 -9.363 1.00 0.00 C ATOM 0 H LEU A 3 -10.816 6.898 -8.746 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.326 7.417 -6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.836 8.863 -8.521 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.795 9.688 -6.975 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.901 10.593 -7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.886 9.318 -7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.142 9.200 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.868 7.840 -7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.523 9.588 -9.578 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.507 8.107 -9.506 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.242 9.639 -10.038 1.00 0.00 H new ATOM 48 N ASP A 4 -11.006 8.318 -4.703 1.00 0.00 N ATOM 49 CA ASP A 4 -11.887 8.437 -3.572 1.00 0.00 C ATOM 50 C ASP A 4 -12.908 9.545 -3.778 1.00 0.00 C ATOM 51 O ASP A 4 -14.082 9.293 -4.049 1.00 0.00 O ATOM 52 CB ASP A 4 -11.084 8.677 -2.289 1.00 0.00 C ATOM 53 CG ASP A 4 -11.962 8.718 -1.054 1.00 0.00 C ATOM 54 OD1 ASP A 4 -12.562 7.676 -0.717 1.00 0.00 O ATOM 55 OD2 ASP A 4 -12.054 9.792 -0.424 1.00 0.00 O ATOM 0 H ASP A 4 -10.117 8.807 -4.594 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.431 7.498 -3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.341 7.888 -2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -10.540 9.617 -2.375 1.00 0.00 H new ATOM 60 N LEU A 5 -12.444 10.767 -3.615 1.00 0.00 N ATOM 61 CA LEU A 5 -13.268 11.938 -3.736 1.00 0.00 C ATOM 62 C LEU A 5 -12.470 13.106 -4.314 1.00 0.00 C ATOM 63 O LEU A 5 -11.706 12.927 -5.261 1.00 0.00 O ATOM 64 CB LEU A 5 -13.815 12.243 -2.342 1.00 0.00 C ATOM 65 CG LEU A 5 -12.819 12.761 -1.277 1.00 0.00 C ATOM 66 CD1 LEU A 5 -11.380 12.460 -1.650 1.00 0.00 C ATOM 67 CD2 LEU A 5 -13.039 14.244 -0.979 1.00 0.00 C ATOM 0 H LEU A 5 -11.470 10.971 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.094 11.771 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.608 12.983 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.276 11.334 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.020 12.216 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.716 12.841 -0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.246 11.382 -1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.142 12.940 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.322 14.574 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.900 14.823 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -14.052 14.394 -0.605 1.00 0.00 H new ATOM 79 N ASP A 6 -12.636 14.291 -3.750 1.00 0.00 N ATOM 80 CA ASP A 6 -11.917 15.448 -4.221 1.00 0.00 C ATOM 81 C ASP A 6 -10.458 15.336 -3.828 1.00 0.00 C ATOM 82 O ASP A 6 -9.564 15.645 -4.616 1.00 0.00 O ATOM 83 CB ASP A 6 -12.530 16.733 -3.660 1.00 0.00 C ATOM 84 CG ASP A 6 -13.053 17.644 -4.752 1.00 0.00 C ATOM 85 OD1 ASP A 6 -12.250 18.054 -5.616 1.00 0.00 O ATOM 86 OD2 ASP A 6 -14.265 17.945 -4.745 1.00 0.00 O ATOM 0 H ASP A 6 -13.264 14.470 -2.966 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.989 15.490 -5.308 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.344 16.479 -2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.781 17.265 -3.074 1.00 0.00 H new ATOM 91 N VAL A 7 -10.221 14.863 -2.613 1.00 0.00 N ATOM 92 CA VAL A 7 -8.871 14.676 -2.135 1.00 0.00 C ATOM 93 C VAL A 7 -8.402 13.244 -2.370 1.00 0.00 C ATOM 94 O VAL A 7 -8.779 12.323 -1.647 1.00 0.00 O ATOM 95 CB VAL A 7 -8.682 15.061 -0.652 1.00 0.00 C ATOM 96 CG1 VAL A 7 -8.844 16.560 -0.477 1.00 0.00 C ATOM 97 CG2 VAL A 7 -9.644 14.319 0.259 1.00 0.00 C ATOM 0 H VAL A 7 -10.948 14.604 -1.946 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.254 15.361 -2.717 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.672 14.769 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.709 16.820 0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.098 17.079 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.842 16.858 -0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -9.474 14.622 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -10.669 14.556 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.480 13.246 0.164 1.00 0.00 H new ATOM 107 N ARG A 8 -7.610 13.059 -3.412 1.00 0.00 N ATOM 108 CA ARG A 8 -7.120 11.764 -3.782 1.00 0.00 C ATOM 109 C ARG A 8 -6.145 11.210 -2.752 1.00 0.00 C ATOM 110 O ARG A 8 -6.080 11.694 -1.622 1.00 0.00 O ATOM 111 CB ARG A 8 -6.464 11.881 -5.150 1.00 0.00 C ATOM 112 CG ARG A 8 -7.456 12.194 -6.249 1.00 0.00 C ATOM 113 CD ARG A 8 -6.763 12.711 -7.497 1.00 0.00 C ATOM 114 NE ARG A 8 -7.683 12.812 -8.629 1.00 0.00 N ATOM 115 CZ ARG A 8 -7.492 13.606 -9.681 1.00 0.00 C ATOM 116 NH1 ARG A 8 -6.413 14.377 -9.756 1.00 0.00 N ATOM 117 NH2 ARG A 8 -8.384 13.627 -10.661 1.00 0.00 N ATOM 0 H ARG A 8 -7.293 13.813 -4.021 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.952 11.061 -3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.705 12.662 -5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.952 10.948 -5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.024 11.297 -6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.170 12.937 -5.894 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.330 13.690 -7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.939 12.046 -7.757 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.525 12.237 -8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.723 14.364 -9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.274 14.982 -10.565 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.214 13.036 -10.608 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.241 14.234 -11.468 1.00 0.00 H new ATOM 131 N THR A 9 -5.407 10.179 -3.148 1.00 0.00 N ATOM 132 CA THR A 9 -4.451 9.529 -2.283 1.00 0.00 C ATOM 133 C THR A 9 -5.054 9.245 -0.906 1.00 0.00 C ATOM 134 O THR A 9 -5.128 10.125 -0.050 1.00 0.00 O ATOM 135 CB THR A 9 -3.175 10.350 -2.188 1.00 0.00 C ATOM 136 OG1 THR A 9 -3.019 10.943 -0.912 1.00 0.00 O ATOM 137 CG2 THR A 9 -3.087 11.442 -3.225 1.00 0.00 C ATOM 0 H THR A 9 -5.461 9.775 -4.083 1.00 0.00 H new ATOM 0 HA THR A 9 -4.191 8.564 -2.719 1.00 0.00 H new ATOM 0 HB THR A 9 -2.375 9.632 -2.368 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.900 11.164 -0.544 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.152 11.988 -3.100 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.119 11.001 -4.221 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.926 12.127 -3.104 1.00 0.00 H new ATOM 145 N CYS A 10 -5.507 8.005 -0.718 1.00 0.00 N ATOM 146 CA CYS A 10 -6.133 7.585 0.535 1.00 0.00 C ATOM 147 C CYS A 10 -5.282 7.948 1.751 1.00 0.00 C ATOM 148 O CYS A 10 -4.308 8.693 1.649 1.00 0.00 O ATOM 149 CB CYS A 10 -6.398 6.079 0.516 1.00 0.00 C ATOM 150 SG CYS A 10 -8.091 5.616 1.006 1.00 0.00 S ATOM 0 H CYS A 10 -5.451 7.270 -1.423 1.00 0.00 H new ATOM 0 HA CYS A 10 -7.078 8.121 0.621 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -6.205 5.699 -0.487 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.691 5.588 1.184 1.00 0.00 H new ATOM 155 N LEU A 11 -5.673 7.421 2.906 1.00 0.00 N ATOM 156 CA LEU A 11 -4.967 7.695 4.150 1.00 0.00 C ATOM 157 C LEU A 11 -3.582 7.050 4.174 1.00 0.00 C ATOM 158 O LEU A 11 -3.405 5.899 3.757 1.00 0.00 O ATOM 159 CB LEU A 11 -5.788 7.200 5.342 1.00 0.00 C ATOM 160 CG LEU A 11 -5.934 8.206 6.483 1.00 0.00 C ATOM 161 CD1 LEU A 11 -7.024 9.216 6.164 1.00 0.00 C ATOM 162 CD2 LEU A 11 -6.237 7.489 7.789 1.00 0.00 C ATOM 0 H LEU A 11 -6.477 6.801 3.006 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.834 8.775 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.782 6.924 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.325 6.294 5.733 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.991 8.741 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.115 9.925 6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.768 9.752 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.972 8.697 6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.338 8.220 8.591 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.167 6.929 7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.424 6.802 8.024 1.00 0.00 H new ATOM 174 N PRO A 12 -2.570 7.786 4.673 1.00 0.00 N ATOM 175 CA PRO A 12 -1.206 7.276 4.760 1.00 0.00 C ATOM 176 C PRO A 12 -1.101 6.067 5.677 1.00 0.00 C ATOM 177 O PRO A 12 -2.107 5.514 6.126 1.00 0.00 O ATOM 178 CB PRO A 12 -0.400 8.433 5.357 1.00 0.00 C ATOM 179 CG PRO A 12 -1.255 9.642 5.231 1.00 0.00 C ATOM 180 CD PRO A 12 -2.680 9.162 5.193 1.00 0.00 C ATOM 0 HA PRO A 12 -0.850 6.951 3.782 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.153 8.238 6.401 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.543 8.566 4.826 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.096 10.317 6.072 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.009 10.197 4.326 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.136 9.181 6.183 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.296 9.787 4.546 1.00 0.00 H new ATOM 188 N CYS A 13 0.132 5.684 5.969 1.00 0.00 N ATOM 189 CA CYS A 13 0.403 4.561 6.827 1.00 0.00 C ATOM 190 C CYS A 13 1.800 4.671 7.412 1.00 0.00 C ATOM 191 O CYS A 13 2.510 5.646 7.162 1.00 0.00 O ATOM 192 CB CYS A 13 0.262 3.266 6.043 1.00 0.00 C ATOM 193 SG CYS A 13 -0.310 1.849 7.022 1.00 0.00 S ATOM 0 H CYS A 13 0.968 6.149 5.613 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.317 4.560 7.646 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.435 3.428 5.221 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.226 3.019 5.599 1.00 0.00 H new ATOM 198 N GLY A 14 2.208 3.663 8.168 1.00 0.00 N ATOM 199 CA GLY A 14 3.531 3.682 8.737 1.00 0.00 C ATOM 200 C GLY A 14 3.776 4.866 9.646 1.00 0.00 C ATOM 201 O GLY A 14 2.947 5.206 10.491 1.00 0.00 O ATOM 0 H GLY A 14 1.649 2.840 8.394 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.690 2.762 9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.265 3.694 7.931 1.00 0.00 H new ATOM 205 N PRO A 15 4.944 5.484 9.495 1.00 0.00 N ATOM 206 CA PRO A 15 5.384 6.622 10.292 1.00 0.00 C ATOM 207 C PRO A 15 4.973 7.965 9.687 1.00 0.00 C ATOM 208 O PRO A 15 5.512 8.387 8.664 1.00 0.00 O ATOM 209 CB PRO A 15 6.893 6.424 10.233 1.00 0.00 C ATOM 210 CG PRO A 15 7.121 5.992 8.833 1.00 0.00 C ATOM 211 CD PRO A 15 5.970 5.079 8.524 1.00 0.00 C ATOM 0 HA PRO A 15 4.955 6.655 11.294 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.430 7.344 10.463 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.229 5.672 10.947 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.144 6.845 8.154 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.075 5.476 8.728 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.623 5.203 7.498 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.245 4.031 8.644 1.00 0.00 H new ATOM 219 N GLY A 16 4.012 8.630 10.326 1.00 0.00 N ATOM 220 CA GLY A 16 3.541 9.915 9.834 1.00 0.00 C ATOM 221 C GLY A 16 2.612 9.764 8.644 1.00 0.00 C ATOM 222 O GLY A 16 1.416 10.036 8.740 1.00 0.00 O ATOM 0 H GLY A 16 3.552 8.302 11.175 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.021 10.441 10.635 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.395 10.530 9.551 1.00 0.00 H new ATOM 226 N GLY A 17 3.164 9.306 7.527 1.00 0.00 N ATOM 227 CA GLY A 17 2.382 9.096 6.333 1.00 0.00 C ATOM 228 C GLY A 17 3.215 8.636 5.167 1.00 0.00 C ATOM 229 O GLY A 17 2.926 8.943 4.011 1.00 0.00 O ATOM 0 H GLY A 17 4.153 9.075 7.431 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.608 8.356 6.536 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.874 10.024 6.068 1.00 0.00 H new ATOM 233 N LYS A 18 4.246 7.889 5.489 1.00 0.00 N ATOM 234 CA LYS A 18 5.151 7.352 4.510 1.00 0.00 C ATOM 235 C LYS A 18 4.466 6.265 3.711 1.00 0.00 C ATOM 236 O LYS A 18 4.666 6.128 2.505 1.00 0.00 O ATOM 237 CB LYS A 18 6.369 6.793 5.232 1.00 0.00 C ATOM 238 CG LYS A 18 7.570 7.707 5.235 1.00 0.00 C ATOM 239 CD LYS A 18 7.142 9.151 5.287 1.00 0.00 C ATOM 240 CE LYS A 18 8.329 10.097 5.344 1.00 0.00 C ATOM 241 NZ LYS A 18 8.648 10.667 4.005 1.00 0.00 N ATOM 0 H LYS A 18 4.479 7.637 6.450 1.00 0.00 H new ATOM 0 HA LYS A 18 5.462 8.136 3.819 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.094 6.572 6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.649 5.848 4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.204 7.480 6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.168 7.532 4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.537 9.381 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.510 9.310 6.161 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.115 10.907 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.199 9.565 5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.658 10.911 3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.431 9.966 3.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.078 11.523 3.847 1.00 0.00 H new ATOM 255 N GLY A 19 3.643 5.513 4.406 1.00 0.00 N ATOM 256 CA GLY A 19 2.899 4.454 3.792 1.00 0.00 C ATOM 257 C GLY A 19 1.452 4.842 3.564 1.00 0.00 C ATOM 258 O GLY A 19 1.062 5.984 3.801 1.00 0.00 O ATOM 0 H GLY A 19 3.476 5.623 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.359 4.191 2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.942 3.566 4.423 1.00 0.00 H new ATOM 262 N ARG A 20 0.659 3.891 3.104 1.00 0.00 N ATOM 263 CA ARG A 20 -0.743 4.120 2.837 1.00 0.00 C ATOM 264 C ARG A 20 -1.470 2.786 2.750 1.00 0.00 C ATOM 265 O ARG A 20 -0.853 1.726 2.861 1.00 0.00 O ATOM 266 CB ARG A 20 -0.899 4.908 1.541 1.00 0.00 C ATOM 267 CG ARG A 20 -0.501 4.120 0.314 1.00 0.00 C ATOM 268 CD ARG A 20 -1.487 4.321 -0.823 1.00 0.00 C ATOM 269 NE ARG A 20 -0.967 5.221 -1.850 1.00 0.00 N ATOM 270 CZ ARG A 20 -0.036 4.877 -2.738 1.00 0.00 C ATOM 271 NH1 ARG A 20 0.487 3.657 -2.727 1.00 0.00 N ATOM 272 NH2 ARG A 20 0.373 5.757 -3.643 1.00 0.00 N ATOM 0 H ARG A 20 0.972 2.940 2.906 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.181 4.702 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.936 5.227 1.440 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.292 5.812 1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.494 4.426 -0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.444 3.061 0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.722 3.356 -1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.419 4.724 -0.427 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.339 6.170 -1.889 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.176 2.975 -2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.200 3.401 -3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.026 6.696 -3.658 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.086 5.495 -4.324 1.00 0.00 H new ATOM 286 N CYS A 21 -2.768 2.836 2.519 1.00 0.00 N ATOM 287 CA CYS A 21 -3.556 1.629 2.387 1.00 0.00 C ATOM 288 C CYS A 21 -3.467 1.106 0.962 1.00 0.00 C ATOM 289 O CYS A 21 -3.346 1.886 0.018 1.00 0.00 O ATOM 290 CB CYS A 21 -4.997 1.933 2.734 1.00 0.00 C ATOM 291 SG CYS A 21 -5.392 1.772 4.503 1.00 0.00 S ATOM 0 H CYS A 21 -3.298 3.702 2.419 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.171 0.868 3.066 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.229 2.948 2.413 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.644 1.264 2.167 1.00 0.00 H new ATOM 296 N PHE A 22 -3.513 -0.210 0.801 1.00 0.00 N ATOM 297 CA PHE A 22 -3.418 -0.803 -0.532 1.00 0.00 C ATOM 298 C PHE A 22 -4.653 -1.648 -0.873 1.00 0.00 C ATOM 299 O PHE A 22 -5.696 -1.105 -1.240 1.00 0.00 O ATOM 300 CB PHE A 22 -2.129 -1.620 -0.628 1.00 0.00 C ATOM 301 CG PHE A 22 -0.933 -0.739 -0.790 1.00 0.00 C ATOM 302 CD1 PHE A 22 -0.587 0.151 0.213 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.165 -0.785 -1.940 1.00 0.00 C ATOM 304 CE1 PHE A 22 0.506 0.977 0.069 1.00 0.00 C ATOM 305 CE2 PHE A 22 0.930 0.043 -2.087 1.00 0.00 C ATOM 306 CZ PHE A 22 1.266 0.923 -1.081 1.00 0.00 C ATOM 0 H PHE A 22 -3.614 -0.881 1.563 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.387 -0.002 -1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.015 -2.229 0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.194 -2.306 -1.472 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.179 0.198 1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.424 -1.475 -2.730 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.768 1.667 0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.522 0.001 -2.989 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.124 1.570 -1.193 1.00 0.00 H new ATOM 316 N GLY A 23 -4.530 -2.971 -0.775 1.00 0.00 N ATOM 317 CA GLY A 23 -5.641 -3.848 -1.097 1.00 0.00 C ATOM 318 C GLY A 23 -6.660 -3.980 0.025 1.00 0.00 C ATOM 319 O GLY A 23 -7.536 -3.127 0.168 1.00 0.00 O ATOM 0 H GLY A 23 -3.680 -3.450 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.142 -3.472 -1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.253 -4.837 -1.342 1.00 0.00 H new ATOM 323 N PRO A 24 -6.588 -5.057 0.828 1.00 0.00 N ATOM 324 CA PRO A 24 -7.517 -5.312 1.920 1.00 0.00 C ATOM 325 C PRO A 24 -6.924 -4.904 3.273 1.00 0.00 C ATOM 326 O PRO A 24 -6.572 -3.741 3.464 1.00 0.00 O ATOM 327 CB PRO A 24 -7.676 -6.825 1.787 1.00 0.00 C ATOM 328 CG PRO A 24 -6.306 -7.307 1.417 1.00 0.00 C ATOM 329 CD PRO A 24 -5.602 -6.148 0.736 1.00 0.00 C ATOM 0 HA PRO A 24 -8.452 -4.754 1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.017 -7.273 2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.409 -7.083 1.023 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.756 -7.627 2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.366 -8.168 0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.669 -5.892 1.238 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.353 -6.380 -0.300 1.00 0.00 H new ATOM 337 N SER A 25 -6.772 -5.855 4.200 1.00 0.00 N ATOM 338 CA SER A 25 -6.172 -5.559 5.496 1.00 0.00 C ATOM 339 C SER A 25 -4.678 -5.380 5.305 1.00 0.00 C ATOM 340 O SER A 25 -3.870 -6.034 5.966 1.00 0.00 O ATOM 341 CB SER A 25 -6.420 -6.706 6.478 1.00 0.00 C ATOM 342 OG SER A 25 -6.595 -6.220 7.797 1.00 0.00 O ATOM 0 H SER A 25 -7.055 -6.827 4.075 1.00 0.00 H new ATOM 0 HA SER A 25 -6.620 -4.652 5.901 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.305 -7.265 6.173 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.580 -7.400 6.451 1.00 0.00 H new ATOM 0 HG SER A 25 -6.753 -6.972 8.405 1.00 0.00 H new ATOM 348 N ILE A 26 -4.313 -4.533 4.357 1.00 0.00 N ATOM 349 CA ILE A 26 -2.922 -4.331 4.038 1.00 0.00 C ATOM 350 C ILE A 26 -2.507 -2.860 4.042 1.00 0.00 C ATOM 351 O ILE A 26 -3.316 -1.947 3.855 1.00 0.00 O ATOM 352 CB ILE A 26 -2.621 -4.953 2.663 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.240 -5.572 2.626 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.731 -3.917 1.575 1.00 0.00 C ATOM 355 CD1 ILE A 26 -1.185 -6.807 1.747 1.00 0.00 C ATOM 0 H ILE A 26 -4.963 -3.979 3.800 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.340 -4.819 4.820 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.360 -5.737 2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.524 -4.836 2.260 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.936 -5.836 3.639 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.514 -4.377 0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.741 -3.508 1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.017 -3.115 1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.174 -7.214 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.880 -7.556 2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.462 -6.540 0.727 1.00 0.00 H new ATOM 367 N CYS A 27 -1.213 -2.679 4.230 1.00 0.00 N ATOM 368 CA CYS A 27 -0.563 -1.385 4.253 1.00 0.00 C ATOM 369 C CYS A 27 0.888 -1.594 3.869 1.00 0.00 C ATOM 370 O CYS A 27 1.521 -2.536 4.344 1.00 0.00 O ATOM 371 CB CYS A 27 -0.636 -0.783 5.635 1.00 0.00 C ATOM 372 SG CYS A 27 -1.474 0.823 5.723 1.00 0.00 S ATOM 0 H CYS A 27 -0.566 -3.454 4.375 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.057 -0.706 3.559 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.151 -1.482 6.294 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.377 -0.670 6.020 1.00 0.00 H new ATOM 377 N CYS A 28 1.412 -0.773 2.992 1.00 0.00 N ATOM 378 CA CYS A 28 2.744 -0.954 2.549 1.00 0.00 C ATOM 379 C CYS A 28 3.378 0.354 2.126 1.00 0.00 C ATOM 380 O CYS A 28 2.892 1.007 1.204 1.00 0.00 O ATOM 381 CB CYS A 28 2.671 -1.914 1.405 1.00 0.00 C ATOM 382 SG CYS A 28 2.482 -3.653 1.914 1.00 0.00 S ATOM 0 H CYS A 28 0.925 0.023 2.580 1.00 0.00 H new ATOM 0 HA CYS A 28 3.372 -1.338 3.353 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.832 -1.639 0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.575 -1.817 0.804 1.00 0.00 H new ATOM 387 N GLY A 29 4.456 0.749 2.778 1.00 0.00 N ATOM 388 CA GLY A 29 5.093 1.947 2.402 1.00 0.00 C ATOM 389 C GLY A 29 6.244 1.659 1.459 1.00 0.00 C ATOM 390 O GLY A 29 7.132 0.883 1.809 1.00 0.00 O ATOM 0 H GLY A 29 4.886 0.250 3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.376 2.612 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.461 2.464 3.288 1.00 0.00 H new ATOM 394 N ASP A 30 6.247 2.236 0.255 1.00 0.00 N ATOM 395 CA ASP A 30 7.328 1.967 -0.689 1.00 0.00 C ATOM 396 C ASP A 30 8.630 2.362 -0.027 1.00 0.00 C ATOM 397 O ASP A 30 9.516 1.534 0.179 1.00 0.00 O ATOM 398 CB ASP A 30 7.134 2.763 -1.982 1.00 0.00 C ATOM 399 CG ASP A 30 8.029 2.273 -3.104 1.00 0.00 C ATOM 400 OD1 ASP A 30 8.661 1.207 -2.940 1.00 0.00 O ATOM 401 OD2 ASP A 30 8.097 2.953 -4.149 1.00 0.00 O ATOM 0 H ASP A 30 5.529 2.878 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 30 7.335 0.909 -0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.092 2.693 -2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.339 3.816 -1.791 1.00 0.00 H new ATOM 406 N GLU A 31 8.698 3.605 0.396 1.00 0.00 N ATOM 407 CA GLU A 31 9.831 4.085 1.138 1.00 0.00 C ATOM 408 C GLU A 31 9.637 3.701 2.602 1.00 0.00 C ATOM 409 O GLU A 31 10.114 4.395 3.500 1.00 0.00 O ATOM 410 CB GLU A 31 9.918 5.603 1.029 1.00 0.00 C ATOM 411 CG GLU A 31 8.670 6.307 1.551 1.00 0.00 C ATOM 412 CD GLU A 31 8.973 7.685 2.103 1.00 0.00 C ATOM 413 OE1 GLU A 31 10.093 7.886 2.619 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.091 8.565 2.020 1.00 0.00 O ATOM 0 H GLU A 31 7.972 4.303 0.234 1.00 0.00 H new ATOM 0 HA GLU A 31 10.747 3.647 0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.787 5.953 1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.076 5.879 -0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.941 6.393 0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.212 5.699 2.331 1.00 0.00 H new ATOM 421 N LEU A 32 8.852 2.644 2.842 1.00 0.00 N ATOM 422 CA LEU A 32 8.514 2.259 4.197 1.00 0.00 C ATOM 423 C LEU A 32 8.090 0.786 4.322 1.00 0.00 C ATOM 424 O LEU A 32 7.279 0.445 5.166 1.00 0.00 O ATOM 425 CB LEU A 32 7.401 3.213 4.619 1.00 0.00 C ATOM 426 CG LEU A 32 6.762 3.042 5.993 1.00 0.00 C ATOM 427 CD1 LEU A 32 5.396 2.414 5.827 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.630 2.246 6.967 1.00 0.00 C ATOM 0 H LEU A 32 8.448 2.052 2.117 1.00 0.00 H new ATOM 0 HA LEU A 32 9.385 2.334 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.798 4.227 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.607 3.142 3.876 1.00 0.00 H new ATOM 0 HG LEU A 32 6.661 4.031 6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.932 2.288 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.771 3.059 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.499 1.441 5.346 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.117 2.161 7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.811 1.250 6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.582 2.758 7.109 1.00 0.00 H new ATOM 440 N GLY A 33 8.677 -0.081 3.500 1.00 0.00 N ATOM 441 CA GLY A 33 8.388 -1.516 3.557 1.00 0.00 C ATOM 442 C GLY A 33 6.912 -1.898 3.526 1.00 0.00 C ATOM 443 O GLY A 33 6.031 -1.040 3.568 1.00 0.00 O ATOM 0 H GLY A 33 9.356 0.183 2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.887 -2.001 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.829 -1.920 4.468 1.00 0.00 H new ATOM 447 N CYS A 34 6.664 -3.215 3.416 1.00 0.00 N ATOM 448 CA CYS A 34 5.308 -3.775 3.329 1.00 0.00 C ATOM 449 C CYS A 34 4.831 -4.430 4.628 1.00 0.00 C ATOM 450 O CYS A 34 5.518 -5.283 5.187 1.00 0.00 O ATOM 451 CB CYS A 34 5.281 -4.830 2.227 1.00 0.00 C ATOM 452 SG CYS A 34 3.987 -4.610 0.966 1.00 0.00 S ATOM 0 H CYS A 34 7.400 -3.920 3.385 1.00 0.00 H new ATOM 0 HA CYS A 34 4.638 -2.941 3.120 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.251 -4.837 1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.152 -5.809 2.688 1.00 0.00 H new ATOM 457 N PHE A 35 3.629 -4.057 5.079 1.00 0.00 N ATOM 458 CA PHE A 35 3.038 -4.651 6.289 1.00 0.00 C ATOM 459 C PHE A 35 1.582 -5.067 6.058 1.00 0.00 C ATOM 460 O PHE A 35 0.726 -4.213 5.842 1.00 0.00 O ATOM 461 CB PHE A 35 3.087 -3.675 7.466 1.00 0.00 C ATOM 462 CG PHE A 35 4.325 -2.843 7.519 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.620 -1.973 6.489 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.198 -2.935 8.592 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.754 -1.205 6.521 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.345 -2.161 8.630 1.00 0.00 C ATOM 467 CZ PHE A 35 6.622 -1.295 7.588 1.00 0.00 C ATOM 0 H PHE A 35 3.047 -3.351 4.629 1.00 0.00 H new ATOM 0 HA PHE A 35 3.631 -5.535 6.523 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.221 -3.015 7.413 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.001 -4.239 8.395 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.948 -1.897 5.647 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.982 -3.615 9.403 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.968 -0.527 5.708 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.020 -2.233 9.470 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.517 -0.690 7.610 1.00 0.00 H new ATOM 477 N VAL A 36 1.278 -6.360 6.151 1.00 0.00 N ATOM 478 CA VAL A 36 -0.105 -6.804 5.988 1.00 0.00 C ATOM 479 C VAL A 36 -0.752 -6.999 7.345 1.00 0.00 C ATOM 480 O VAL A 36 -0.449 -7.951 8.064 1.00 0.00 O ATOM 481 CB VAL A 36 -0.239 -8.109 5.183 1.00 0.00 C ATOM 482 CG1 VAL A 36 -1.677 -8.287 4.694 1.00 0.00 C ATOM 483 CG2 VAL A 36 0.743 -8.125 4.020 1.00 0.00 C ATOM 0 H VAL A 36 1.952 -7.103 6.334 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.609 -6.019 5.424 1.00 0.00 H new ATOM 0 HB VAL A 36 0.003 -8.948 5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.756 -9.214 4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.350 -8.327 5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.951 -7.447 4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.633 -9.056 3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.540 -7.281 3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.761 -8.049 4.402 1.00 0.00 H new ATOM 493 N GLY A 37 -1.639 -6.079 7.690 1.00 0.00 N ATOM 494 CA GLY A 37 -2.313 -6.146 8.976 1.00 0.00 C ATOM 495 C GLY A 37 -1.327 -6.155 10.133 1.00 0.00 C ATOM 496 O GLY A 37 -1.614 -6.685 11.206 1.00 0.00 O ATOM 0 H GLY A 37 -1.906 -5.287 7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.985 -5.294 9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.929 -7.044 9.017 1.00 0.00 H new ATOM 500 N THR A 38 -0.154 -5.575 9.895 1.00 0.00 N ATOM 501 CA THR A 38 0.909 -5.509 10.895 1.00 0.00 C ATOM 502 C THR A 38 0.869 -4.172 11.636 1.00 0.00 C ATOM 503 O THR A 38 0.106 -3.279 11.271 1.00 0.00 O ATOM 504 CB THR A 38 2.260 -5.677 10.196 1.00 0.00 C ATOM 505 OG1 THR A 38 2.187 -6.682 9.200 1.00 0.00 O ATOM 506 CG2 THR A 38 3.406 -6.035 11.115 1.00 0.00 C ATOM 0 H THR A 38 0.087 -5.138 9.005 1.00 0.00 H new ATOM 0 HA THR A 38 0.766 -6.307 11.623 1.00 0.00 H new ATOM 0 HB THR A 38 2.467 -4.695 9.771 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.059 -6.774 8.763 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.322 -6.134 10.533 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.533 -5.251 11.861 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.190 -6.979 11.615 1.00 0.00 H new ATOM 514 N ALA A 39 1.702 -4.034 12.669 1.00 0.00 N ATOM 515 CA ALA A 39 1.764 -2.798 13.449 1.00 0.00 C ATOM 516 C ALA A 39 1.777 -1.570 12.543 1.00 0.00 C ATOM 517 O ALA A 39 0.929 -0.695 12.657 1.00 0.00 O ATOM 518 CB ALA A 39 2.992 -2.799 14.349 1.00 0.00 C ATOM 0 H ALA A 39 2.342 -4.763 12.984 1.00 0.00 H new ATOM 0 HA ALA A 39 0.869 -2.751 14.069 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.023 -1.873 14.923 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.942 -3.647 15.032 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.891 -2.878 13.738 1.00 0.00 H new ATOM 524 N GLU A 40 2.744 -1.514 11.638 1.00 0.00 N ATOM 525 CA GLU A 40 2.861 -0.394 10.709 1.00 0.00 C ATOM 526 C GLU A 40 1.777 -0.434 9.624 1.00 0.00 C ATOM 527 O GLU A 40 1.809 0.359 8.682 1.00 0.00 O ATOM 528 CB GLU A 40 4.244 -0.400 10.069 1.00 0.00 C ATOM 529 CG GLU A 40 5.161 0.697 10.582 1.00 0.00 C ATOM 530 CD GLU A 40 5.823 0.332 11.897 1.00 0.00 C ATOM 531 OE1 GLU A 40 5.884 -0.874 12.217 1.00 0.00 O ATOM 532 OE2 GLU A 40 6.283 1.252 12.605 1.00 0.00 O ATOM 0 H GLU A 40 3.461 -2.231 11.526 1.00 0.00 H new ATOM 0 HA GLU A 40 2.721 0.527 11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.713 -1.367 10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.135 -0.295 8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.929 0.902 9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.588 1.615 10.710 1.00 0.00 H new ATOM 539 N ALA A 41 0.834 -1.368 9.742 1.00 0.00 N ATOM 540 CA ALA A 41 -0.234 -1.508 8.757 1.00 0.00 C ATOM 541 C ALA A 41 -1.605 -1.163 9.335 1.00 0.00 C ATOM 542 O ALA A 41 -2.542 -0.866 8.594 1.00 0.00 O ATOM 543 CB ALA A 41 -0.256 -2.927 8.229 1.00 0.00 C ATOM 0 H ALA A 41 0.789 -2.038 10.510 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.028 -0.804 7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.054 -3.029 7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.701 -3.156 7.760 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.431 -3.619 9.053 1.00 0.00 H new ATOM 549 N LEU A 42 -1.725 -1.230 10.656 1.00 0.00 N ATOM 550 CA LEU A 42 -2.990 -0.950 11.330 1.00 0.00 C ATOM 551 C LEU A 42 -3.651 0.338 10.847 1.00 0.00 C ATOM 552 O LEU A 42 -4.851 0.517 11.031 1.00 0.00 O ATOM 553 CB LEU A 42 -2.815 -0.914 12.857 1.00 0.00 C ATOM 554 CG LEU A 42 -1.633 -0.095 13.403 1.00 0.00 C ATOM 555 CD1 LEU A 42 -1.064 0.849 12.356 1.00 0.00 C ATOM 556 CD2 LEU A 42 -2.057 0.686 14.637 1.00 0.00 C ATOM 0 H LEU A 42 -0.960 -1.476 11.284 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.656 -1.772 11.068 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.732 -0.519 13.294 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.709 -1.940 13.211 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.846 -0.799 13.674 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.232 1.408 12.784 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.713 0.273 11.500 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.839 1.544 12.033 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.210 1.261 15.012 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.869 1.364 14.377 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.395 -0.007 15.408 1.00 0.00 H new ATOM 568 N ARG A 43 -2.894 1.227 10.217 1.00 0.00 N ATOM 569 CA ARG A 43 -3.464 2.469 9.717 1.00 0.00 C ATOM 570 C ARG A 43 -4.687 2.194 8.842 1.00 0.00 C ATOM 571 O ARG A 43 -5.563 3.049 8.691 1.00 0.00 O ATOM 572 CB ARG A 43 -2.416 3.263 8.946 1.00 0.00 C ATOM 573 CG ARG A 43 -2.184 4.652 9.515 1.00 0.00 C ATOM 574 CD ARG A 43 -1.652 4.587 10.940 1.00 0.00 C ATOM 575 NE ARG A 43 -0.428 5.371 11.100 1.00 0.00 N ATOM 576 CZ ARG A 43 -0.234 6.270 12.064 1.00 0.00 C ATOM 577 NH1 ARG A 43 -1.173 6.501 12.975 1.00 0.00 N ATOM 578 NH2 ARG A 43 0.908 6.943 12.119 1.00 0.00 N ATOM 0 H ARG A 43 -1.896 1.113 10.042 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.788 3.064 10.570 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.475 2.713 8.952 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.728 3.351 7.905 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.476 5.191 8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.118 5.214 9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.412 4.956 11.629 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.456 3.549 11.208 1.00 0.00 H new ATOM 0 HE ARG A 43 0.326 5.220 10.430 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.054 5.988 12.941 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.013 7.192 13.708 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.635 6.772 11.424 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.059 7.632 12.856 1.00 0.00 H new ATOM 592 N CYS A 44 -4.752 0.990 8.282 1.00 0.00 N ATOM 593 CA CYS A 44 -5.870 0.608 7.439 1.00 0.00 C ATOM 594 C CYS A 44 -7.087 0.225 8.270 1.00 0.00 C ATOM 595 O CYS A 44 -8.152 -0.056 7.722 1.00 0.00 O ATOM 596 CB CYS A 44 -5.475 -0.526 6.495 1.00 0.00 C ATOM 597 SG CYS A 44 -5.842 -0.196 4.738 1.00 0.00 S ATOM 0 H CYS A 44 -4.043 0.266 8.399 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.142 1.474 6.836 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.407 -0.718 6.602 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.994 -1.435 6.799 1.00 0.00 H new ATOM 602 N GLN A 45 -6.945 0.243 9.594 1.00 0.00 N ATOM 603 CA GLN A 45 -8.059 -0.062 10.463 1.00 0.00 C ATOM 604 C GLN A 45 -9.185 0.921 10.175 1.00 0.00 C ATOM 605 O GLN A 45 -10.362 0.626 10.386 1.00 0.00 O ATOM 606 CB GLN A 45 -7.637 0.029 11.927 1.00 0.00 C ATOM 607 CG GLN A 45 -7.528 -1.321 12.618 1.00 0.00 C ATOM 608 CD GLN A 45 -7.355 -1.196 14.120 1.00 0.00 C ATOM 609 OE1 GLN A 45 -8.213 -1.623 14.892 1.00 0.00 O ATOM 610 NE2 GLN A 45 -6.242 -0.608 14.540 1.00 0.00 N ATOM 0 H GLN A 45 -6.074 0.465 10.077 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.401 -1.080 10.276 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.674 0.537 11.987 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.357 0.646 12.466 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.423 -1.906 12.407 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.683 -1.870 12.203 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.558 -0.269 13.864 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.071 -0.495 15.539 1.00 0.00 H new ATOM 619 N GLU A 46 -8.801 2.090 9.664 1.00 0.00 N ATOM 620 CA GLU A 46 -9.757 3.123 9.312 1.00 0.00 C ATOM 621 C GLU A 46 -10.405 2.794 7.972 1.00 0.00 C ATOM 622 O GLU A 46 -11.442 3.354 7.616 1.00 0.00 O ATOM 623 CB GLU A 46 -9.055 4.483 9.244 1.00 0.00 C ATOM 624 CG GLU A 46 -8.214 4.682 7.990 1.00 0.00 C ATOM 625 CD GLU A 46 -8.964 5.407 6.888 1.00 0.00 C ATOM 626 OE1 GLU A 46 -10.137 5.778 7.108 1.00 0.00 O ATOM 627 OE2 GLU A 46 -8.377 5.605 5.804 1.00 0.00 O ATOM 0 H GLU A 46 -7.828 2.340 9.486 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.533 3.168 10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.806 5.271 9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.416 4.595 10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.317 5.247 8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.885 3.711 7.621 1.00 0.00 H new ATOM 634 N GLU A 47 -9.787 1.869 7.235 1.00 0.00 N ATOM 635 CA GLU A 47 -10.311 1.457 5.938 1.00 0.00 C ATOM 636 C GLU A 47 -11.480 0.482 6.099 1.00 0.00 C ATOM 637 O GLU A 47 -12.030 -0.002 5.111 1.00 0.00 O ATOM 638 CB GLU A 47 -9.204 0.819 5.095 1.00 0.00 C ATOM 639 CG GLU A 47 -8.886 1.592 3.827 1.00 0.00 C ATOM 640 CD GLU A 47 -9.999 1.509 2.801 1.00 0.00 C ATOM 641 OE1 GLU A 47 -10.271 0.393 2.310 1.00 0.00 O ATOM 642 OE2 GLU A 47 -10.600 2.558 2.488 1.00 0.00 O ATOM 0 H GLU A 47 -8.928 1.395 7.515 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.679 2.346 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.300 0.738 5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.501 -0.195 4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.705 2.637 4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.965 1.205 3.391 1.00 0.00 H new ATOM 649 N ASN A 48 -11.865 0.207 7.345 1.00 0.00 N ATOM 650 CA ASN A 48 -12.972 -0.688 7.625 1.00 0.00 C ATOM 651 C ASN A 48 -13.804 -0.173 8.799 1.00 0.00 C ATOM 652 O ASN A 48 -14.548 -0.931 9.422 1.00 0.00 O ATOM 653 CB ASN A 48 -12.464 -2.102 7.914 1.00 0.00 C ATOM 654 CG ASN A 48 -11.514 -2.150 9.093 1.00 0.00 C ATOM 655 OD1 ASN A 48 -11.923 -1.988 10.243 1.00 0.00 O ATOM 656 ND2 ASN A 48 -10.238 -2.386 8.813 1.00 0.00 N ATOM 0 H ASN A 48 -11.420 0.597 8.176 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.609 -0.722 6.741 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.313 -2.756 8.110 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.959 -2.491 7.029 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.552 -2.439 9.566 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.944 -2.514 7.845 1.00 0.00 H new ATOM 663 N TYR A 49 -13.682 1.125 9.085 1.00 0.00 N ATOM 664 CA TYR A 49 -14.427 1.756 10.180 1.00 0.00 C ATOM 665 C TYR A 49 -15.467 2.737 9.646 1.00 0.00 C ATOM 666 O TYR A 49 -16.393 3.124 10.358 1.00 0.00 O ATOM 667 CB TYR A 49 -13.465 2.491 11.122 1.00 0.00 C ATOM 668 CG TYR A 49 -12.851 1.634 12.207 1.00 0.00 C ATOM 669 CD1 TYR A 49 -13.046 0.271 12.223 1.00 0.00 C ATOM 670 CD2 TYR A 49 -12.087 2.200 13.219 1.00 0.00 C ATOM 671 CE1 TYR A 49 -12.501 -0.521 13.214 1.00 0.00 C ATOM 672 CE2 TYR A 49 -11.534 1.420 14.215 1.00 0.00 C ATOM 673 CZ TYR A 49 -11.746 0.059 14.210 1.00 0.00 C ATOM 674 OH TYR A 49 -11.200 -0.724 15.201 1.00 0.00 O ATOM 0 H TYR A 49 -13.073 1.763 8.572 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.943 0.968 10.729 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.663 2.928 10.528 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -14.000 3.316 11.591 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.637 -0.188 11.444 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.923 3.267 13.227 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.665 -1.588 13.208 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.939 1.874 14.993 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.268 -0.931 14.978 1.00 0.00 H new ATOM 684 N LEU A 50 -15.313 3.129 8.389 1.00 0.00 N ATOM 685 CA LEU A 50 -16.233 4.053 7.760 1.00 0.00 C ATOM 686 C LEU A 50 -16.453 3.699 6.290 1.00 0.00 C ATOM 687 O LEU A 50 -15.672 4.098 5.426 1.00 0.00 O ATOM 688 CB LEU A 50 -15.718 5.489 7.887 1.00 0.00 C ATOM 689 CG LEU A 50 -16.744 6.503 8.395 1.00 0.00 C ATOM 690 CD1 LEU A 50 -18.011 6.448 7.557 1.00 0.00 C ATOM 691 CD2 LEU A 50 -17.061 6.249 9.861 1.00 0.00 C ATOM 0 H LEU A 50 -14.553 2.816 7.785 1.00 0.00 H new ATOM 0 HA LEU A 50 -17.191 3.974 8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.861 5.493 8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -15.358 5.817 6.912 1.00 0.00 H new ATOM 0 HG LEU A 50 -16.316 7.501 8.303 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -18.729 7.177 7.934 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -17.771 6.679 6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -18.443 5.449 7.616 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -17.793 6.979 10.207 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -17.468 5.245 9.976 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -16.149 6.341 10.452 1.00 0.00 H new ATOM 703 N PRO A 51 -17.520 2.939 5.984 1.00 0.00 N ATOM 704 CA PRO A 51 -17.839 2.533 4.611 1.00 0.00 C ATOM 705 C PRO A 51 -17.735 3.686 3.618 1.00 0.00 C ATOM 706 O PRO A 51 -18.644 4.510 3.511 1.00 0.00 O ATOM 707 CB PRO A 51 -19.281 2.053 4.731 1.00 0.00 C ATOM 708 CG PRO A 51 -19.340 1.487 6.101 1.00 0.00 C ATOM 709 CD PRO A 51 -18.506 2.410 6.948 1.00 0.00 C ATOM 0 HA PRO A 51 -17.148 1.781 4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -19.989 2.872 4.603 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -19.520 1.304 3.976 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.367 1.441 6.464 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -18.948 0.470 6.124 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -19.106 3.205 7.390 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.024 1.880 7.769 1.00 0.00 H new ATOM 717 N SER A 52 -16.623 3.741 2.894 1.00 0.00 N ATOM 718 CA SER A 52 -16.403 4.796 1.913 1.00 0.00 C ATOM 719 C SER A 52 -15.404 4.350 0.850 1.00 0.00 C ATOM 720 O SER A 52 -14.784 3.294 0.974 1.00 0.00 O ATOM 721 CB SER A 52 -15.900 6.065 2.604 1.00 0.00 C ATOM 722 OG SER A 52 -14.504 6.000 2.839 1.00 0.00 O ATOM 0 H SER A 52 -15.860 3.068 2.968 1.00 0.00 H new ATOM 0 HA SER A 52 -17.354 5.009 1.424 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.128 6.934 1.986 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.425 6.200 3.550 1.00 0.00 H new ATOM 0 HG SER A 52 -14.208 6.824 3.280 1.00 0.00 H new ATOM 728 N PRO A 53 -15.234 5.151 -0.216 1.00 0.00 N ATOM 729 CA PRO A 53 -14.307 4.833 -1.303 1.00 0.00 C ATOM 730 C PRO A 53 -12.854 4.979 -0.872 1.00 0.00 C ATOM 731 O PRO A 53 -12.569 5.371 0.259 1.00 0.00 O ATOM 732 CB PRO A 53 -14.644 5.862 -2.394 1.00 0.00 C ATOM 733 CG PRO A 53 -15.905 6.530 -1.949 1.00 0.00 C ATOM 734 CD PRO A 53 -15.931 6.420 -0.453 1.00 0.00 C ATOM 0 HA PRO A 53 -14.414 3.800 -1.635 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.838 6.586 -2.510 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.779 5.377 -3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -15.924 7.574 -2.263 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -16.778 6.048 -2.390 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.423 7.258 0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -16.949 6.402 -0.065 1.00 0.00 H new ATOM 742 N CYS A 54 -11.938 4.657 -1.776 1.00 0.00 N ATOM 743 CA CYS A 54 -10.513 4.754 -1.483 1.00 0.00 C ATOM 744 C CYS A 54 -9.684 4.405 -2.715 1.00 0.00 C ATOM 745 O CYS A 54 -10.162 3.731 -3.627 1.00 0.00 O ATOM 746 CB CYS A 54 -10.150 3.822 -0.323 1.00 0.00 C ATOM 747 SG CYS A 54 -8.379 3.817 0.112 1.00 0.00 S ATOM 0 H CYS A 54 -12.155 4.327 -2.716 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.289 5.782 -1.197 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -10.727 4.113 0.555 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -10.451 2.807 -0.580 1.00 0.00 H new ATOM 752 N GLN A 55 -8.441 4.869 -2.735 1.00 0.00 N ATOM 753 CA GLN A 55 -7.551 4.611 -3.843 1.00 0.00 C ATOM 754 C GLN A 55 -6.151 4.272 -3.345 1.00 0.00 C ATOM 755 O GLN A 55 -5.786 4.596 -2.218 1.00 0.00 O ATOM 756 CB GLN A 55 -7.499 5.824 -4.774 1.00 0.00 C ATOM 757 CG GLN A 55 -6.585 5.637 -5.975 1.00 0.00 C ATOM 758 CD GLN A 55 -7.089 4.576 -6.933 1.00 0.00 C ATOM 759 OE1 GLN A 55 -7.390 3.451 -6.532 1.00 0.00 O ATOM 760 NE2 GLN A 55 -7.189 4.932 -8.209 1.00 0.00 N ATOM 0 H GLN A 55 -8.031 5.429 -1.988 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.935 3.755 -4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.507 6.043 -5.127 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.164 6.692 -4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.490 6.584 -6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.588 5.364 -5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.929 5.875 -8.497 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.526 4.262 -8.900 1.00 0.00 H new ATOM 769 N SER A 56 -5.368 3.623 -4.196 1.00 0.00 N ATOM 770 CA SER A 56 -4.006 3.248 -3.843 1.00 0.00 C ATOM 771 C SER A 56 -3.044 3.646 -4.951 1.00 0.00 C ATOM 772 O SER A 56 -3.439 4.280 -5.929 1.00 0.00 O ATOM 773 CB SER A 56 -3.917 1.742 -3.584 1.00 0.00 C ATOM 774 OG SER A 56 -4.628 1.385 -2.412 1.00 0.00 O ATOM 0 H SER A 56 -5.653 3.345 -5.135 1.00 0.00 H new ATOM 0 HA SER A 56 -3.728 3.776 -2.931 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.320 1.198 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.872 1.448 -3.483 1.00 0.00 H new ATOM 0 HG SER A 56 -4.140 1.702 -1.624 1.00 0.00 H new ATOM 780 N GLY A 57 -1.785 3.261 -4.804 1.00 0.00 N ATOM 781 CA GLY A 57 -0.795 3.580 -5.814 1.00 0.00 C ATOM 782 C GLY A 57 0.114 2.408 -6.056 1.00 0.00 C ATOM 783 O GLY A 57 1.185 2.315 -5.464 1.00 0.00 O ATOM 0 H GLY A 57 -1.431 2.734 -4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.293 3.858 -6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.208 4.442 -5.496 1.00 0.00 H new ATOM 787 N GLN A 58 -0.337 1.478 -6.886 1.00 0.00 N ATOM 788 CA GLN A 58 0.419 0.282 -7.147 1.00 0.00 C ATOM 789 C GLN A 58 1.058 0.267 -8.536 1.00 0.00 C ATOM 790 O GLN A 58 0.473 -0.243 -9.489 1.00 0.00 O ATOM 791 CB GLN A 58 -0.532 -0.886 -6.997 1.00 0.00 C ATOM 792 CG GLN A 58 -0.717 -1.308 -5.554 1.00 0.00 C ATOM 793 CD GLN A 58 -0.370 -2.761 -5.314 1.00 0.00 C ATOM 794 OE1 GLN A 58 0.237 -3.104 -4.297 1.00 0.00 O ATOM 795 NE2 GLN A 58 -0.761 -3.625 -6.248 1.00 0.00 N ATOM 0 H GLN A 58 -1.224 1.538 -7.386 1.00 0.00 H new ATOM 0 HA GLN A 58 1.247 0.226 -6.440 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.500 -0.617 -7.420 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.156 -1.732 -7.573 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.095 -0.681 -4.915 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.752 -1.134 -5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.261 -3.293 -7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.561 -4.619 -6.139 1.00 0.00 H new ATOM 804 N LYS A 59 2.277 0.797 -8.630 1.00 0.00 N ATOM 805 CA LYS A 59 3.022 0.823 -9.876 1.00 0.00 C ATOM 806 C LYS A 59 3.350 -0.605 -10.336 1.00 0.00 C ATOM 807 O LYS A 59 4.172 -1.283 -9.731 1.00 0.00 O ATOM 808 CB LYS A 59 4.287 1.662 -9.693 1.00 0.00 C ATOM 809 CG LYS A 59 4.857 1.647 -8.281 1.00 0.00 C ATOM 810 CD LYS A 59 4.421 2.885 -7.509 1.00 0.00 C ATOM 811 CE LYS A 59 4.221 2.602 -6.023 1.00 0.00 C ATOM 812 NZ LYS A 59 5.175 1.581 -5.507 1.00 0.00 N ATOM 0 H LYS A 59 2.770 1.218 -7.843 1.00 0.00 H new ATOM 0 HA LYS A 59 2.415 1.282 -10.656 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.050 1.301 -10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.067 2.693 -9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.523 0.751 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.945 1.604 -8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.170 3.668 -7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.491 3.265 -7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.343 3.527 -5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.200 2.259 -5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.179 1.604 -4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.882 0.637 -5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.131 1.788 -5.862 1.00 0.00 H new ATOM 826 N PRO A 60 2.665 -1.086 -11.394 1.00 0.00 N ATOM 827 CA PRO A 60 2.819 -2.450 -11.931 1.00 0.00 C ATOM 828 C PRO A 60 4.240 -3.017 -11.990 1.00 0.00 C ATOM 829 O PRO A 60 5.229 -2.286 -12.030 1.00 0.00 O ATOM 830 CB PRO A 60 2.264 -2.318 -13.345 1.00 0.00 C ATOM 831 CG PRO A 60 1.215 -1.267 -13.249 1.00 0.00 C ATOM 832 CD PRO A 60 1.631 -0.335 -12.139 1.00 0.00 C ATOM 0 HA PRO A 60 2.314 -3.155 -11.270 1.00 0.00 H new ATOM 0 HB2 PRO A 60 3.045 -2.034 -14.051 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.846 -3.262 -13.695 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.121 -0.728 -14.192 1.00 0.00 H new ATOM 0 HG3 PRO A 60 0.242 -1.710 -13.037 1.00 0.00 H new ATOM 0 HD2 PRO A 60 2.027 0.601 -12.534 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.787 -0.079 -11.498 1.00 0.00 H new ATOM 840 N CYS A 61 4.292 -4.359 -12.061 1.00 0.00 N ATOM 841 CA CYS A 61 5.534 -5.117 -12.186 1.00 0.00 C ATOM 842 C CYS A 61 5.249 -6.559 -12.605 1.00 0.00 C ATOM 843 O CYS A 61 4.180 -7.118 -12.322 1.00 0.00 O ATOM 844 CB CYS A 61 6.369 -5.127 -10.903 1.00 0.00 C ATOM 845 SG CYS A 61 5.460 -4.729 -9.381 1.00 0.00 S ATOM 0 H CYS A 61 3.459 -4.947 -12.032 1.00 0.00 H new ATOM 0 HA CYS A 61 6.115 -4.607 -12.954 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.819 -6.113 -10.790 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.186 -4.414 -11.015 1.00 0.00 H new ATOM 850 N GLY A 62 6.225 -7.155 -13.277 1.00 0.00 N ATOM 851 CA GLY A 62 6.099 -8.517 -13.749 1.00 0.00 C ATOM 852 C GLY A 62 6.090 -9.556 -12.640 1.00 0.00 C ATOM 853 O GLY A 62 6.059 -10.755 -12.916 1.00 0.00 O ATOM 0 H GLY A 62 7.114 -6.710 -13.505 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.178 -8.607 -14.325 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.923 -8.733 -14.429 1.00 0.00 H new ATOM 857 N SER A 63 6.129 -9.112 -11.387 1.00 0.00 N ATOM 858 CA SER A 63 6.133 -10.027 -10.270 1.00 0.00 C ATOM 859 C SER A 63 4.713 -10.337 -9.808 1.00 0.00 C ATOM 860 O SER A 63 4.362 -10.131 -8.645 1.00 0.00 O ATOM 861 CB SER A 63 6.960 -9.458 -9.116 1.00 0.00 C ATOM 862 OG SER A 63 7.381 -10.484 -8.233 1.00 0.00 O ATOM 0 H SER A 63 6.158 -8.126 -11.129 1.00 0.00 H new ATOM 0 HA SER A 63 6.590 -10.960 -10.600 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.831 -8.935 -9.512 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.369 -8.724 -8.569 1.00 0.00 H new ATOM 0 HG SER A 63 7.349 -10.155 -7.310 1.00 0.00 H new ATOM 868 N GLY A 64 3.906 -10.844 -10.733 1.00 0.00 N ATOM 869 CA GLY A 64 2.537 -11.197 -10.421 1.00 0.00 C ATOM 870 C GLY A 64 1.757 -10.088 -9.752 1.00 0.00 C ATOM 871 O GLY A 64 0.889 -10.348 -8.920 1.00 0.00 O ATOM 0 H GLY A 64 4.180 -11.017 -11.700 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.027 -11.483 -11.341 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.537 -12.072 -9.771 1.00 0.00 H new ATOM 875 N GLY A 65 2.046 -8.858 -10.127 1.00 0.00 N ATOM 876 CA GLY A 65 1.336 -7.734 -9.561 1.00 0.00 C ATOM 877 C GLY A 65 1.979 -6.395 -9.785 1.00 0.00 C ATOM 878 O GLY A 65 2.744 -6.205 -10.728 1.00 0.00 O ATOM 0 H GLY A 65 2.760 -8.615 -10.814 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.330 -7.711 -9.980 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.230 -7.894 -8.488 1.00 0.00 H new ATOM 882 N ARG A 66 1.653 -5.451 -8.915 1.00 0.00 N ATOM 883 CA ARG A 66 2.190 -4.123 -9.020 1.00 0.00 C ATOM 884 C ARG A 66 3.048 -3.787 -7.818 1.00 0.00 C ATOM 885 O ARG A 66 2.850 -4.314 -6.730 1.00 0.00 O ATOM 886 CB ARG A 66 1.102 -3.065 -9.156 1.00 0.00 C ATOM 887 CG ARG A 66 -0.196 -3.565 -9.774 1.00 0.00 C ATOM 888 CD ARG A 66 0.043 -4.239 -11.114 1.00 0.00 C ATOM 889 NE ARG A 66 -1.192 -4.404 -11.875 1.00 0.00 N ATOM 890 CZ ARG A 66 -2.159 -5.254 -11.542 1.00 0.00 C ATOM 891 NH1 ARG A 66 -2.038 -6.021 -10.465 1.00 0.00 N ATOM 892 NH2 ARG A 66 -3.249 -5.341 -12.291 1.00 0.00 N ATOM 0 H ARG A 66 1.017 -5.591 -8.130 1.00 0.00 H new ATOM 0 HA ARG A 66 2.797 -4.113 -9.925 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.885 -2.657 -8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.485 -2.245 -9.763 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.676 -4.268 -9.093 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.883 -2.729 -9.905 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.750 -3.647 -11.696 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.501 -5.215 -10.952 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.321 -3.834 -12.711 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.200 -5.960 -9.887 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.784 -6.671 -10.215 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.345 -4.757 -13.121 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.992 -5.992 -12.037 1.00 0.00 H new ATOM 906 N CYS A 67 3.995 -2.898 -8.037 1.00 0.00 N ATOM 907 CA CYS A 67 4.902 -2.451 -7.005 1.00 0.00 C ATOM 908 C CYS A 67 4.148 -1.735 -5.909 1.00 0.00 C ATOM 909 O CYS A 67 3.013 -1.304 -6.103 1.00 0.00 O ATOM 910 CB CYS A 67 5.962 -1.550 -7.622 1.00 0.00 C ATOM 911 SG CYS A 67 7.312 -1.082 -6.499 1.00 0.00 S ATOM 0 H CYS A 67 4.157 -2.463 -8.945 1.00 0.00 H new ATOM 0 HA CYS A 67 5.393 -3.314 -6.555 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.388 -2.055 -8.489 1.00 0.00 H new ATOM 0 HB3 CYS A 67 5.480 -0.643 -7.986 1.00 0.00 H new ATOM 916 N ALA A 68 4.769 -1.632 -4.749 1.00 0.00 N ATOM 917 CA ALA A 68 4.126 -0.993 -3.623 1.00 0.00 C ATOM 918 C ALA A 68 5.148 -0.539 -2.563 1.00 0.00 C ATOM 919 O ALA A 68 5.715 0.549 -2.657 1.00 0.00 O ATOM 920 CB ALA A 68 3.097 -1.976 -3.060 1.00 0.00 C ATOM 0 H ALA A 68 5.710 -1.980 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 68 3.623 -0.081 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.592 -1.524 -2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.364 -2.216 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.601 -2.888 -2.742 1.00 0.00 H new ATOM 926 N ALA A 69 5.339 -1.373 -1.557 1.00 0.00 N ATOM 927 CA ALA A 69 6.258 -1.118 -0.452 1.00 0.00 C ATOM 928 C ALA A 69 7.720 -1.324 -0.846 1.00 0.00 C ATOM 929 O ALA A 69 8.034 -1.455 -2.027 1.00 0.00 O ATOM 930 CB ALA A 69 5.903 -1.995 0.724 1.00 0.00 C ATOM 0 H ALA A 69 4.852 -2.266 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 69 6.150 -0.069 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.593 -1.800 1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.885 -1.777 1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.975 -3.043 0.431 1.00 0.00 H new ATOM 936 N ALA A 70 8.622 -1.319 0.158 1.00 0.00 N ATOM 937 CA ALA A 70 10.057 -1.491 -0.098 1.00 0.00 C ATOM 938 C ALA A 70 10.307 -2.500 -1.194 1.00 0.00 C ATOM 939 O ALA A 70 10.273 -3.702 -0.946 1.00 0.00 O ATOM 940 CB ALA A 70 10.796 -1.967 1.141 1.00 0.00 C ATOM 0 H ALA A 70 8.380 -1.199 1.142 1.00 0.00 H new ATOM 0 HA ALA A 70 10.427 -0.510 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.855 -2.082 0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.676 -1.235 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.388 -2.925 1.462 1.00 0.00 H new ATOM 946 N GLY A 71 10.517 -2.025 -2.407 1.00 0.00 N ATOM 947 CA GLY A 71 10.738 -2.932 -3.499 1.00 0.00 C ATOM 948 C GLY A 71 9.679 -3.997 -3.573 1.00 0.00 C ATOM 949 O GLY A 71 9.944 -5.124 -3.982 1.00 0.00 O ATOM 0 H GLY A 71 10.538 -1.035 -2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.756 -2.374 -4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.716 -3.401 -3.388 1.00 0.00 H new ATOM 953 N ILE A 72 8.490 -3.651 -3.145 1.00 0.00 N ATOM 954 CA ILE A 72 7.401 -4.584 -3.131 1.00 0.00 C ATOM 955 C ILE A 72 6.619 -4.547 -4.424 1.00 0.00 C ATOM 956 O ILE A 72 6.564 -3.541 -5.124 1.00 0.00 O ATOM 957 CB ILE A 72 6.422 -4.327 -1.961 1.00 0.00 C ATOM 958 CG1 ILE A 72 7.054 -4.693 -0.619 1.00 0.00 C ATOM 959 CG2 ILE A 72 5.120 -5.104 -2.145 1.00 0.00 C ATOM 960 CD1 ILE A 72 6.953 -6.160 -0.276 1.00 0.00 C ATOM 0 H ILE A 72 8.255 -2.720 -2.800 1.00 0.00 H new ATOM 0 HA ILE A 72 7.857 -5.566 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 72 6.196 -3.261 -1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.105 -4.404 -0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.574 -4.112 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.454 -4.902 -1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.639 -4.794 -3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.336 -6.172 -2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.424 -6.341 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.904 -6.451 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.458 -6.748 -1.042 1.00 0.00 H new ATOM 972 N CYS A 73 5.980 -5.660 -4.670 1.00 0.00 N ATOM 973 CA CYS A 73 5.122 -5.866 -5.788 1.00 0.00 C ATOM 974 C CYS A 73 3.981 -6.704 -5.226 1.00 0.00 C ATOM 975 O CYS A 73 4.177 -7.856 -4.816 1.00 0.00 O ATOM 976 CB CYS A 73 5.876 -6.522 -6.968 1.00 0.00 C ATOM 977 SG CYS A 73 4.974 -6.521 -8.555 1.00 0.00 S ATOM 0 H CYS A 73 6.052 -6.478 -4.065 1.00 0.00 H new ATOM 0 HA CYS A 73 4.742 -4.942 -6.223 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.825 -6.004 -7.106 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.111 -7.552 -6.702 1.00 0.00 H new ATOM 982 N CYS A 74 2.829 -6.065 -5.057 1.00 0.00 N ATOM 983 CA CYS A 74 1.707 -6.711 -4.403 1.00 0.00 C ATOM 984 C CYS A 74 0.761 -7.429 -5.348 1.00 0.00 C ATOM 985 O CYS A 74 0.715 -7.164 -6.547 1.00 0.00 O ATOM 986 CB CYS A 74 0.947 -5.687 -3.573 1.00 0.00 C ATOM 987 SG CYS A 74 0.096 -6.393 -2.129 1.00 0.00 S ATOM 0 H CYS A 74 2.652 -5.108 -5.362 1.00 0.00 H new ATOM 0 HA CYS A 74 2.128 -7.489 -3.766 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.643 -4.921 -3.233 1.00 0.00 H new ATOM 0 HB3 CYS A 74 0.213 -5.191 -4.208 1.00 0.00 H new ATOM 992 N SER A 75 -0.008 -8.338 -4.756 1.00 0.00 N ATOM 993 CA SER A 75 -0.982 -9.131 -5.466 1.00 0.00 C ATOM 994 C SER A 75 -2.347 -9.015 -4.788 1.00 0.00 C ATOM 995 O SER A 75 -2.489 -8.307 -3.791 1.00 0.00 O ATOM 996 CB SER A 75 -0.528 -10.592 -5.525 1.00 0.00 C ATOM 997 OG SER A 75 0.872 -10.681 -5.722 1.00 0.00 O ATOM 0 H SER A 75 0.035 -8.540 -3.757 1.00 0.00 H new ATOM 0 HA SER A 75 -1.071 -8.757 -6.486 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.802 -11.099 -4.600 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.046 -11.105 -6.335 1.00 0.00 H new ATOM 0 HG SER A 75 1.076 -10.567 -6.674 1.00 0.00 H new ATOM 1003 N PRO A 76 -3.377 -9.696 -5.318 1.00 0.00 N ATOM 1004 CA PRO A 76 -4.728 -9.645 -4.752 1.00 0.00 C ATOM 1005 C PRO A 76 -4.837 -10.417 -3.438 1.00 0.00 C ATOM 1006 O PRO A 76 -5.838 -10.314 -2.731 1.00 0.00 O ATOM 1007 CB PRO A 76 -5.597 -10.326 -5.820 1.00 0.00 C ATOM 1008 CG PRO A 76 -4.728 -10.463 -7.026 1.00 0.00 C ATOM 1009 CD PRO A 76 -3.324 -10.548 -6.510 1.00 0.00 C ATOM 0 HA PRO A 76 -5.024 -8.622 -4.522 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.946 -11.300 -5.477 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.482 -9.730 -6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.989 -11.354 -7.597 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.848 -9.610 -7.694 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.042 -11.572 -6.266 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.600 -10.183 -7.239 1.00 0.00 H new ATOM 1017 N ASP A 77 -3.802 -11.187 -3.119 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.782 -11.975 -1.890 1.00 0.00 C ATOM 1019 C ASP A 77 -2.823 -11.367 -0.867 1.00 0.00 C ATOM 1020 O ASP A 77 -3.024 -11.498 0.340 1.00 0.00 O ATOM 1021 CB ASP A 77 -3.367 -13.415 -2.196 1.00 0.00 C ATOM 1022 CG ASP A 77 -4.484 -14.408 -1.941 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -4.766 -14.693 -0.757 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -5.078 -14.899 -2.923 1.00 0.00 O ATOM 0 H ASP A 77 -2.965 -11.283 -3.694 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.787 -11.971 -1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.053 -13.486 -3.237 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.504 -13.679 -1.584 1.00 0.00 H new ATOM 1029 N GLY A 78 -1.783 -10.702 -1.358 1.00 0.00 N ATOM 1030 CA GLY A 78 -0.811 -10.087 -0.485 1.00 0.00 C ATOM 1031 C GLY A 78 0.425 -9.625 -1.230 1.00 0.00 C ATOM 1032 O GLY A 78 0.611 -9.957 -2.401 1.00 0.00 O ATOM 0 H GLY A 78 -1.599 -10.580 -2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.267 -9.235 0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.521 -10.798 0.289 1.00 0.00 H new ATOM 1036 N CYS A 79 1.271 -8.848 -0.560 1.00 0.00 N ATOM 1037 CA CYS A 79 2.486 -8.350 -1.183 1.00 0.00 C ATOM 1038 C CYS A 79 3.697 -9.199 -0.821 1.00 0.00 C ATOM 1039 O CYS A 79 3.646 -10.022 0.092 1.00 0.00 O ATOM 1040 CB CYS A 79 2.761 -6.910 -0.764 1.00 0.00 C ATOM 1041 SG CYS A 79 1.286 -5.855 -0.580 1.00 0.00 S ATOM 0 H CYS A 79 1.136 -8.553 0.407 1.00 0.00 H new ATOM 0 HA CYS A 79 2.326 -8.401 -2.260 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.299 -6.922 0.184 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.423 -6.455 -1.501 1.00 0.00 H new ATOM 1046 N GLU A 80 4.796 -8.970 -1.538 1.00 0.00 N ATOM 1047 CA GLU A 80 6.032 -9.684 -1.292 1.00 0.00 C ATOM 1048 C GLU A 80 7.230 -8.828 -1.695 1.00 0.00 C ATOM 1049 O GLU A 80 7.154 -8.076 -2.659 1.00 0.00 O ATOM 1050 CB GLU A 80 6.033 -11.001 -2.059 1.00 0.00 C ATOM 1051 CG GLU A 80 5.940 -10.822 -3.563 1.00 0.00 C ATOM 1052 CD GLU A 80 6.694 -11.894 -4.325 1.00 0.00 C ATOM 1053 OE1 GLU A 80 7.891 -12.100 -4.032 1.00 0.00 O ATOM 1054 OE2 GLU A 80 6.087 -12.528 -5.213 1.00 0.00 O ATOM 0 H GLU A 80 4.848 -8.290 -2.297 1.00 0.00 H new ATOM 0 HA GLU A 80 6.109 -9.900 -0.226 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.944 -11.551 -1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.195 -11.611 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.892 -10.837 -3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.335 -9.843 -3.834 1.00 0.00 H new ATOM 1061 N GLU A 81 8.336 -8.929 -0.955 1.00 0.00 N ATOM 1062 CA GLU A 81 9.523 -8.156 -1.263 1.00 0.00 C ATOM 1063 C GLU A 81 10.026 -8.543 -2.637 1.00 0.00 C ATOM 1064 O GLU A 81 10.733 -9.538 -2.796 1.00 0.00 O ATOM 1065 CB GLU A 81 10.596 -8.380 -0.199 1.00 0.00 C ATOM 1066 CG GLU A 81 10.767 -9.829 0.199 1.00 0.00 C ATOM 1067 CD GLU A 81 12.197 -10.314 0.074 1.00 0.00 C ATOM 1068 OE1 GLU A 81 13.103 -9.467 -0.074 1.00 0.00 O ATOM 1069 OE2 GLU A 81 12.412 -11.543 0.131 1.00 0.00 O ATOM 0 H GLU A 81 8.426 -9.539 -0.142 1.00 0.00 H new ATOM 0 HA GLU A 81 9.278 -7.094 -1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.548 -8.000 -0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.344 -7.797 0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.434 -9.959 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.123 -10.449 -0.424 1.00 0.00 H new ATOM 1076 N ASP A 82 9.605 -7.783 -3.638 1.00 0.00 N ATOM 1077 CA ASP A 82 9.945 -8.076 -4.990 1.00 0.00 C ATOM 1078 C ASP A 82 11.207 -7.384 -5.474 1.00 0.00 C ATOM 1079 O ASP A 82 11.345 -6.163 -5.412 1.00 0.00 O ATOM 1080 CB ASP A 82 8.793 -7.687 -5.876 1.00 0.00 C ATOM 1081 CG ASP A 82 7.504 -8.345 -5.427 1.00 0.00 C ATOM 1082 OD1 ASP A 82 7.245 -9.490 -5.855 1.00 0.00 O ATOM 1083 OD2 ASP A 82 6.752 -7.726 -4.659 1.00 0.00 O ATOM 0 H ASP A 82 9.022 -6.954 -3.519 1.00 0.00 H new ATOM 0 HA ASP A 82 10.147 -9.146 -5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.673 -6.604 -5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.010 -7.973 -6.905 1.00 0.00 H new ATOM 1088 N PRO A 83 12.131 -8.183 -6.008 1.00 0.00 N ATOM 1089 CA PRO A 83 13.366 -7.708 -6.572 1.00 0.00 C ATOM 1090 C PRO A 83 13.076 -6.766 -7.707 1.00 0.00 C ATOM 1091 O PRO A 83 13.972 -6.185 -8.318 1.00 0.00 O ATOM 1092 CB PRO A 83 14.039 -8.984 -7.097 1.00 0.00 C ATOM 1093 CG PRO A 83 13.406 -10.078 -6.332 1.00 0.00 C ATOM 1094 CD PRO A 83 12.002 -9.615 -6.113 1.00 0.00 C ATOM 0 HA PRO A 83 13.987 -7.167 -5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.879 -9.105 -8.168 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.117 -8.959 -6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.433 -11.017 -6.885 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.920 -10.250 -5.386 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.352 -9.900 -6.940 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.574 -10.047 -5.208 1.00 0.00 H new ATOM 1102 N ALA A 84 11.798 -6.634 -7.980 1.00 0.00 N ATOM 1103 CA ALA A 84 11.335 -5.796 -9.015 1.00 0.00 C ATOM 1104 C ALA A 84 11.432 -4.340 -8.627 1.00 0.00 C ATOM 1105 O ALA A 84 11.478 -3.458 -9.485 1.00 0.00 O ATOM 1106 CB ALA A 84 9.907 -6.177 -9.301 1.00 0.00 C ATOM 0 H ALA A 84 11.058 -7.119 -7.473 1.00 0.00 H new ATOM 0 HA ALA A 84 11.952 -5.926 -9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.515 -5.547 -10.099 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.864 -7.222 -9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.306 -6.039 -8.402 1.00 0.00 H new ATOM 1112 N CYS A 85 11.396 -4.084 -7.327 1.00 0.00 N ATOM 1113 CA CYS A 85 11.412 -2.725 -6.860 1.00 0.00 C ATOM 1114 C CYS A 85 12.480 -2.357 -5.805 1.00 0.00 C ATOM 1115 O CYS A 85 12.736 -1.161 -5.659 1.00 0.00 O ATOM 1116 CB CYS A 85 10.020 -2.353 -6.347 1.00 0.00 C ATOM 1117 SG CYS A 85 8.977 -1.510 -7.569 1.00 0.00 S ATOM 0 H CYS A 85 11.356 -4.794 -6.595 1.00 0.00 H new ATOM 0 HA CYS A 85 11.702 -2.140 -7.733 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.513 -3.259 -6.017 1.00 0.00 H new ATOM 0 HB3 CYS A 85 10.127 -1.711 -5.473 1.00 0.00 H new ATOM 1122 N ASP A 86 13.101 -3.297 -5.033 1.00 0.00 N ATOM 1123 CA ASP A 86 14.077 -2.795 -4.010 1.00 0.00 C ATOM 1124 C ASP A 86 14.698 -3.733 -2.937 1.00 0.00 C ATOM 1125 O ASP A 86 15.728 -3.363 -2.372 1.00 0.00 O ATOM 1126 CB ASP A 86 13.352 -1.764 -3.157 1.00 0.00 C ATOM 1127 CG ASP A 86 14.280 -0.780 -2.470 1.00 0.00 C ATOM 1128 OD1 ASP A 86 15.055 -1.206 -1.588 1.00 0.00 O ATOM 1129 OD2 ASP A 86 14.224 0.421 -2.808 1.00 0.00 O ATOM 0 H ASP A 86 12.967 -4.307 -5.083 1.00 0.00 H new ATOM 0 HA ASP A 86 14.903 -2.499 -4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.653 -1.212 -3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.761 -2.281 -2.401 1.00 0.00 H new ATOM 1134 N PRO A 87 14.085 -4.848 -2.507 1.00 0.00 N ATOM 1135 CA PRO A 87 14.594 -5.638 -1.386 1.00 0.00 C ATOM 1136 C PRO A 87 15.289 -6.876 -1.841 1.00 0.00 C ATOM 1137 O PRO A 87 16.514 -6.992 -1.808 1.00 0.00 O ATOM 1138 CB PRO A 87 13.284 -5.990 -0.651 1.00 0.00 C ATOM 1139 CG PRO A 87 12.187 -5.533 -1.574 1.00 0.00 C ATOM 1140 CD PRO A 87 12.831 -5.419 -2.922 1.00 0.00 C ATOM 0 HA PRO A 87 15.335 -5.113 -0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.216 -7.060 -0.456 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.224 -5.486 0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.363 -6.246 -1.590 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.774 -4.577 -1.252 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.948 -6.382 -3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.276 -4.774 -3.603 1.00 0.00 H new ATOM 1148 N GLU A 88 14.476 -7.767 -2.333 1.00 0.00 N ATOM 1149 CA GLU A 88 14.954 -8.991 -2.894 1.00 0.00 C ATOM 1150 C GLU A 88 15.601 -8.620 -4.229 1.00 0.00 C ATOM 1151 O GLU A 88 16.237 -9.429 -4.905 1.00 0.00 O ATOM 1152 CB GLU A 88 13.779 -9.964 -3.068 1.00 0.00 C ATOM 1153 CG GLU A 88 14.200 -11.419 -3.203 1.00 0.00 C ATOM 1154 CD GLU A 88 14.083 -12.183 -1.900 1.00 0.00 C ATOM 1155 OE1 GLU A 88 14.958 -12.006 -1.026 1.00 0.00 O ATOM 1156 OE2 GLU A 88 13.116 -12.960 -1.752 1.00 0.00 O ATOM 0 H GLU A 88 13.462 -7.662 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 88 15.682 -9.492 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.110 -9.867 -2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.210 -9.677 -3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.583 -11.903 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.231 -11.464 -3.555 1.00 0.00 H new ATOM 1163 N ALA A 89 15.408 -7.339 -4.550 1.00 0.00 N ATOM 1164 CA ALA A 89 15.905 -6.677 -5.736 1.00 0.00 C ATOM 1165 C ALA A 89 17.390 -6.369 -5.652 1.00 0.00 C ATOM 1166 O ALA A 89 18.134 -6.951 -4.862 1.00 0.00 O ATOM 1167 CB ALA A 89 15.145 -5.371 -5.870 1.00 0.00 C ATOM 0 H ALA A 89 14.871 -6.711 -3.951 1.00 0.00 H new ATOM 0 HA ALA A 89 15.760 -7.336 -6.592 1.00 0.00 H new ATOM 0 HB1 ALA A 89 15.491 -4.838 -6.756 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.079 -5.578 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 89 15.318 -4.757 -4.986 1.00 0.00 H new ATOM 1173 N ALA A 90 17.777 -5.391 -6.453 1.00 0.00 N ATOM 1174 CA ALA A 90 19.121 -4.880 -6.493 1.00 0.00 C ATOM 1175 C ALA A 90 19.379 -4.133 -5.203 1.00 0.00 C ATOM 1176 O ALA A 90 18.489 -4.054 -4.356 1.00 0.00 O ATOM 1177 CB ALA A 90 19.261 -3.924 -7.661 1.00 0.00 C ATOM 0 H ALA A 90 17.146 -4.925 -7.105 1.00 0.00 H new ATOM 0 HA ALA A 90 19.834 -5.696 -6.610 1.00 0.00 H new ATOM 0 HB1 ALA A 90 20.279 -3.535 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 90 19.044 -4.451 -8.590 1.00 0.00 H new ATOM 0 HB3 ALA A 90 18.561 -3.097 -7.541 1.00 0.00 H new ATOM 1183 N PHE A 91 20.559 -3.549 -5.049 1.00 0.00 N ATOM 1184 CA PHE A 91 20.828 -2.779 -3.845 1.00 0.00 C ATOM 1185 C PHE A 91 20.062 -1.468 -3.969 1.00 0.00 C ATOM 1186 O PHE A 91 20.639 -0.382 -4.015 1.00 0.00 O ATOM 1187 CB PHE A 91 22.330 -2.513 -3.687 1.00 0.00 C ATOM 1188 CG PHE A 91 23.002 -2.027 -4.944 1.00 0.00 C ATOM 1189 CD1 PHE A 91 23.501 -2.927 -5.873 1.00 0.00 C ATOM 1190 CD2 PHE A 91 23.137 -0.671 -5.195 1.00 0.00 C ATOM 1191 CE1 PHE A 91 24.119 -2.485 -7.026 1.00 0.00 C ATOM 1192 CE2 PHE A 91 23.756 -0.223 -6.347 1.00 0.00 C ATOM 1193 CZ PHE A 91 24.247 -1.131 -7.263 1.00 0.00 C ATOM 0 H PHE A 91 21.325 -3.591 -5.721 1.00 0.00 H new ATOM 0 HA PHE A 91 20.508 -3.332 -2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 91 22.477 -1.773 -2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 91 22.818 -3.430 -3.358 1.00 0.00 H new ATOM 0 HD1 PHE A 91 23.405 -3.987 -5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.754 0.044 -4.482 1.00 0.00 H new ATOM 0 HE1 PHE A 91 24.502 -3.198 -7.742 1.00 0.00 H new ATOM 0 HE2 PHE A 91 23.855 0.837 -6.530 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.731 -0.783 -8.164 1.00 0.00 H new ATOM 1203 N SER A 92 18.739 -1.608 -4.044 1.00 0.00 N ATOM 1204 CA SER A 92 17.833 -0.487 -4.196 1.00 0.00 C ATOM 1205 C SER A 92 17.301 -0.018 -2.844 1.00 0.00 C ATOM 1206 O SER A 92 16.677 1.063 -2.798 1.00 0.00 O ATOM 1207 CB SER A 92 16.679 -0.890 -5.133 1.00 0.00 C ATOM 1208 OG SER A 92 15.490 -0.188 -4.816 1.00 0.00 O ATOM 1209 OXT SER A 92 17.512 -0.737 -1.845 1.00 0.00 O ATOM 0 H SER A 92 18.269 -2.512 -4.000 1.00 0.00 H new ATOM 0 HA SER A 92 18.376 0.350 -4.635 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.959 -0.687 -6.167 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.502 -1.963 -5.055 1.00 0.00 H new ATOM 0 HG SER A 92 15.671 0.454 -4.098 1.00 0.00 H new TER 1215 SER A 92