USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 628 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 38 TYR OH : rot -170:sc= 0.808 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0.0005 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 8 CYS SG : rot 152:sc= 0.356 USER MOD Set 3.2: A 11 CYS SG : rot -53:sc= 0.729 USER MOD Set 3.3: A 15 TYR OH : rot 178:sc=-0.00484 USER MOD Set 3.4: A 31 CYS SG : rot 180:sc= -1.32 USER MOD Set 3.5: A 34 CYS SG : rot 98:sc= 0.094 USER MOD Set 4.1: A 26 CYS SG : rot 106:sc= 0.591 USER MOD Set 4.2: A 28 CYS SG : rot 48:sc= 2.27 USER MOD Set 4.3: A 53 CYS SG : rot 117:sc= -1.14 USER MOD Set 4.4: A 58 CYS SG : rot 98:sc= 1.48 USER MOD Single : A 6 SER OG : rot 34:sc= -0.51 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.31 K(o=-0.31,f=-1.4) USER MOD Single : A 20 MET CE :methyl 145:sc= -0.0828 (180deg=-0.672) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -9.01! C(o=-9!,f=-12!) USER MOD Single : A 27 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.094) USER MOD Single : A 36 LYS NZ :NH3+ -133:sc= 0.0345 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.595) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0063 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.0711 K(o=-0.071,f=-1.7!) USER MOD Single : A 63 HIS : no HD1:sc= -0.17 K(o=-0.17,f=-1.1) USER MOD Single : A 65 GLN : amide:sc= -7.48! C(o=-7.5!,f=-5.9!) USER MOD Single : A 67 ASN : amide:sc= -1.7 X(o=-1.7,f=-1.3) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 178:sc= -7.73! (180deg=-7.97!) USER MOD Single : A 78 MET CE :methyl -170:sc= -1.51 (180deg=-1.69) USER MOD Single : A 79 GLN : amide:sc= -0.0944 K(o=-0.094,f=-1.8!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 151:sc= -0.0347 (180deg=-0.897) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.973 K(o=-0.97,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -11.374 -16.483 -4.037 1.00 0.00 N ATOM 49 CA SER A 6 -10.154 -16.339 -4.822 1.00 0.00 C ATOM 50 C SER A 6 -8.948 -16.873 -4.055 1.00 0.00 C ATOM 51 O SER A 6 -7.907 -17.167 -4.640 1.00 0.00 O ATOM 52 CB SER A 6 -9.929 -14.871 -5.192 1.00 0.00 C ATOM 53 OG SER A 6 -10.696 -14.507 -6.325 1.00 0.00 O ATOM 0 HA SER A 6 -10.269 -16.922 -5.736 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.197 -14.235 -4.348 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.872 -14.702 -5.395 1.00 0.00 H new ATOM 0 HG SER A 6 -11.547 -14.992 -6.313 1.00 0.00 H new ATOM 59 N GLY A 7 -9.099 -16.994 -2.740 1.00 0.00 N ATOM 60 CA GLY A 7 -8.015 -17.493 -1.912 1.00 0.00 C ATOM 61 C GLY A 7 -6.878 -16.500 -1.788 1.00 0.00 C ATOM 62 O GLY A 7 -6.251 -16.134 -2.782 1.00 0.00 O ATOM 0 H GLY A 7 -9.951 -16.756 -2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.398 -17.728 -0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.637 -18.423 -2.336 1.00 0.00 H new ATOM 66 N CYS A 8 -6.610 -16.059 -0.563 1.00 0.00 N ATOM 67 CA CYS A 8 -5.542 -15.100 -0.310 1.00 0.00 C ATOM 68 C CYS A 8 -4.208 -15.812 -0.106 1.00 0.00 C ATOM 69 O CYS A 8 -4.145 -16.871 0.522 1.00 0.00 O ATOM 70 CB CYS A 8 -5.870 -14.249 0.918 1.00 0.00 C ATOM 71 SG CYS A 8 -4.770 -12.815 1.146 1.00 0.00 S ATOM 0 H CYS A 8 -7.119 -16.352 0.271 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.459 -14.451 -1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.898 -13.895 0.837 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.818 -14.878 1.807 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.413 -11.868 1.763 1.00 0.00 H new ATOM 76 N LYS A 9 -3.142 -15.227 -0.640 1.00 0.00 N ATOM 77 CA LYS A 9 -1.808 -15.803 -0.517 1.00 0.00 C ATOM 78 C LYS A 9 -1.004 -15.088 0.565 1.00 0.00 C ATOM 79 O LYS A 9 0.202 -15.298 0.697 1.00 0.00 O ATOM 80 CB LYS A 9 -1.069 -15.722 -1.854 1.00 0.00 C ATOM 81 CG LYS A 9 -1.727 -16.528 -2.962 1.00 0.00 C ATOM 82 CD LYS A 9 -1.473 -15.909 -4.327 1.00 0.00 C ATOM 83 CE LYS A 9 -2.443 -14.772 -4.613 1.00 0.00 C ATOM 84 NZ LYS A 9 -2.717 -14.631 -6.070 1.00 0.00 N ATOM 0 H LYS A 9 -3.176 -14.352 -1.163 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.917 -16.850 -0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.007 -14.678 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.047 -16.075 -1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.345 -17.549 -2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.800 -16.587 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.450 -15.536 -4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.569 -16.673 -5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.379 -14.951 -4.083 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.032 -13.838 -4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.382 -13.846 -6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.828 -14.435 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.133 -15.513 -6.432 1.00 0.00 H new ATOM 98 N LEU A 10 -1.680 -14.243 1.335 1.00 0.00 N ATOM 99 CA LEU A 10 -1.029 -13.497 2.407 1.00 0.00 C ATOM 100 C LEU A 10 -1.451 -14.027 3.773 1.00 0.00 C ATOM 101 O LEU A 10 -0.617 -14.235 4.656 1.00 0.00 O ATOM 102 CB LEU A 10 -1.366 -12.009 2.297 1.00 0.00 C ATOM 103 CG LEU A 10 -0.813 -11.285 1.070 1.00 0.00 C ATOM 104 CD1 LEU A 10 -1.450 -9.911 0.929 1.00 0.00 C ATOM 105 CD2 LEU A 10 0.701 -11.165 1.159 1.00 0.00 C ATOM 0 H LEU A 10 -2.678 -14.057 1.238 1.00 0.00 H new ATOM 0 HA LEU A 10 0.048 -13.627 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.451 -11.901 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.994 -11.506 3.189 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.060 -11.871 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.044 -9.410 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.529 -10.020 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.234 -9.317 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.077 -10.647 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.969 -10.602 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.142 -12.160 1.211 1.00 0.00 H new ATOM 117 N CYS A 11 -2.751 -14.245 3.942 1.00 0.00 N ATOM 118 CA CYS A 11 -3.285 -14.752 5.200 1.00 0.00 C ATOM 119 C CYS A 11 -3.874 -16.148 5.018 1.00 0.00 C ATOM 120 O CYS A 11 -4.118 -16.863 5.991 1.00 0.00 O ATOM 121 CB CYS A 11 -4.355 -13.802 5.744 1.00 0.00 C ATOM 122 SG CYS A 11 -5.817 -13.638 4.670 1.00 0.00 S ATOM 0 H CYS A 11 -3.455 -14.078 3.223 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.465 -14.813 5.915 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.675 -14.155 6.724 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.911 -12.817 5.889 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.438 -13.332 3.465 1.00 0.00 H new ATOM 127 N LEU A 12 -4.099 -16.529 3.765 1.00 0.00 N ATOM 128 CA LEU A 12 -4.660 -17.841 3.454 1.00 0.00 C ATOM 129 C LEU A 12 -6.082 -17.967 3.990 1.00 0.00 C ATOM 130 O LEU A 12 -6.412 -18.927 4.685 1.00 0.00 O ATOM 131 CB LEU A 12 -3.780 -18.945 4.044 1.00 0.00 C ATOM 132 CG LEU A 12 -2.289 -18.864 3.715 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.460 -19.457 4.844 1.00 0.00 C ATOM 134 CD2 LEU A 12 -1.993 -19.576 2.403 1.00 0.00 C ATOM 0 H LEU A 12 -3.902 -15.950 2.949 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.690 -17.949 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.893 -18.932 5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.157 -19.907 3.696 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.017 -17.814 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.402 -19.391 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.649 -18.904 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.734 -20.502 4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.927 -19.508 2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.281 -20.624 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.559 -19.106 1.598 1.00 0.00 H new ATOM 146 N GLY A 13 -6.921 -16.990 3.660 1.00 0.00 N ATOM 147 CA GLY A 13 -8.299 -17.011 4.115 1.00 0.00 C ATOM 148 C GLY A 13 -9.289 -16.912 2.972 1.00 0.00 C ATOM 149 O GLY A 13 -9.248 -15.962 2.189 1.00 0.00 O ATOM 0 H GLY A 13 -6.671 -16.185 3.086 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.481 -17.931 4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.463 -16.184 4.806 1.00 0.00 H new ATOM 153 N GLU A 14 -10.179 -17.894 2.873 1.00 0.00 N ATOM 154 CA GLU A 14 -11.182 -17.913 1.815 1.00 0.00 C ATOM 155 C GLU A 14 -12.159 -16.751 1.970 1.00 0.00 C ATOM 156 O GLU A 14 -12.845 -16.634 2.985 1.00 0.00 O ATOM 157 CB GLU A 14 -11.943 -19.240 1.827 1.00 0.00 C ATOM 158 CG GLU A 14 -11.138 -20.409 1.285 1.00 0.00 C ATOM 159 CD GLU A 14 -11.935 -21.699 1.246 1.00 0.00 C ATOM 160 OE1 GLU A 14 -12.964 -21.739 0.539 1.00 0.00 O ATOM 161 OE2 GLU A 14 -11.531 -22.666 1.923 1.00 0.00 O ATOM 0 H GLU A 14 -10.226 -18.687 3.513 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.668 -17.807 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.250 -19.464 2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.853 -19.132 1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.790 -20.171 0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.252 -20.553 1.903 1.00 0.00 H new ATOM 168 N TYR A 15 -12.216 -15.895 0.956 1.00 0.00 N ATOM 169 CA TYR A 15 -13.107 -14.741 0.980 1.00 0.00 C ATOM 170 C TYR A 15 -13.767 -14.533 -0.380 1.00 0.00 C ATOM 171 O TYR A 15 -13.225 -14.896 -1.424 1.00 0.00 O ATOM 172 CB TYR A 15 -12.334 -13.483 1.381 1.00 0.00 C ATOM 173 CG TYR A 15 -11.424 -13.685 2.571 1.00 0.00 C ATOM 174 CD1 TYR A 15 -11.933 -14.081 3.802 1.00 0.00 C ATOM 175 CD2 TYR A 15 -10.053 -13.482 2.464 1.00 0.00 C ATOM 176 CE1 TYR A 15 -11.104 -14.266 4.892 1.00 0.00 C ATOM 177 CE2 TYR A 15 -9.216 -13.667 3.548 1.00 0.00 C ATOM 178 CZ TYR A 15 -9.747 -14.058 4.759 1.00 0.00 C ATOM 179 OH TYR A 15 -8.919 -14.243 5.843 1.00 0.00 O ATOM 0 H TYR A 15 -11.656 -15.978 0.107 1.00 0.00 H new ATOM 0 HA TYR A 15 -13.887 -14.932 1.717 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.739 -13.147 0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.044 -12.688 1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -12.995 -14.247 3.909 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -9.635 -13.174 1.517 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -11.516 -14.572 5.842 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.153 -13.506 3.447 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.989 -14.088 5.575 1.00 0.00 H new ATOM 189 N PRO A 16 -14.967 -13.934 -0.369 1.00 0.00 N ATOM 190 CA PRO A 16 -15.728 -13.663 -1.591 1.00 0.00 C ATOM 191 C PRO A 16 -15.084 -12.575 -2.446 1.00 0.00 C ATOM 192 O PRO A 16 -14.575 -11.584 -1.926 1.00 0.00 O ATOM 193 CB PRO A 16 -17.087 -13.195 -1.067 1.00 0.00 C ATOM 194 CG PRO A 16 -16.802 -12.649 0.290 1.00 0.00 C ATOM 195 CD PRO A 16 -15.672 -13.474 0.839 1.00 0.00 C ATOM 0 HA PRO A 16 -15.784 -14.538 -2.238 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -17.521 -12.435 -1.716 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.799 -14.019 -1.021 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -16.526 -11.596 0.237 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.681 -12.716 0.930 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.021 -12.885 1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.038 -14.311 1.434 1.00 0.00 H new ATOM 203 N VAL A 17 -15.111 -12.770 -3.760 1.00 0.00 N ATOM 204 CA VAL A 17 -14.531 -11.805 -4.687 1.00 0.00 C ATOM 205 C VAL A 17 -14.961 -10.384 -4.342 1.00 0.00 C ATOM 206 O VAL A 17 -14.316 -9.416 -4.741 1.00 0.00 O ATOM 207 CB VAL A 17 -14.933 -12.113 -6.142 1.00 0.00 C ATOM 208 CG1 VAL A 17 -14.317 -13.425 -6.601 1.00 0.00 C ATOM 209 CG2 VAL A 17 -16.447 -12.149 -6.280 1.00 0.00 C ATOM 0 H VAL A 17 -15.528 -13.587 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.448 -11.886 -4.592 1.00 0.00 H new ATOM 0 HB VAL A 17 -14.551 -11.317 -6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -14.613 -13.625 -7.631 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -13.231 -13.357 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -14.666 -14.235 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.713 -12.368 -7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.853 -12.923 -5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.861 -11.182 -5.996 1.00 0.00 H new ATOM 219 N GLU A 18 -16.057 -10.268 -3.598 1.00 0.00 N ATOM 220 CA GLU A 18 -16.573 -8.964 -3.198 1.00 0.00 C ATOM 221 C GLU A 18 -15.621 -8.275 -2.226 1.00 0.00 C ATOM 222 O GLU A 18 -15.386 -7.071 -2.319 1.00 0.00 O ATOM 223 CB GLU A 18 -17.956 -9.113 -2.558 1.00 0.00 C ATOM 224 CG GLU A 18 -18.828 -7.878 -2.702 1.00 0.00 C ATOM 225 CD GLU A 18 -20.305 -8.185 -2.542 1.00 0.00 C ATOM 226 OE1 GLU A 18 -20.635 -9.146 -1.815 1.00 0.00 O ATOM 227 OE2 GLU A 18 -21.130 -7.466 -3.143 1.00 0.00 O ATOM 0 H GLU A 18 -16.604 -11.060 -3.261 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.659 -8.346 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -18.467 -9.963 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -17.835 -9.341 -1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -18.531 -7.139 -1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -18.658 -7.430 -3.681 1.00 0.00 H new ATOM 234 N GLN A 19 -15.077 -9.050 -1.292 1.00 0.00 N ATOM 235 CA GLN A 19 -14.152 -8.514 -0.300 1.00 0.00 C ATOM 236 C GLN A 19 -12.705 -8.759 -0.717 1.00 0.00 C ATOM 237 O GLN A 19 -11.851 -9.061 0.116 1.00 0.00 O ATOM 238 CB GLN A 19 -14.414 -9.146 1.067 1.00 0.00 C ATOM 239 CG GLN A 19 -15.766 -8.777 1.659 1.00 0.00 C ATOM 240 CD GLN A 19 -16.301 -9.841 2.598 1.00 0.00 C ATOM 241 OE1 GLN A 19 -17.287 -10.512 2.294 1.00 0.00 O ATOM 242 NE2 GLN A 19 -15.654 -9.998 3.746 1.00 0.00 N ATOM 0 H GLN A 19 -15.261 -10.049 -1.202 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.315 -7.438 -0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.351 -10.230 0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.628 -8.838 1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.677 -7.833 2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -16.481 -8.617 0.852 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.841 -9.419 3.956 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.970 -10.697 4.418 1.00 0.00 H new ATOM 251 N MET A 20 -12.439 -8.627 -2.013 1.00 0.00 N ATOM 252 CA MET A 20 -11.094 -8.833 -2.540 1.00 0.00 C ATOM 253 C MET A 20 -10.739 -7.756 -3.559 1.00 0.00 C ATOM 254 O MET A 20 -11.620 -7.151 -4.172 1.00 0.00 O ATOM 255 CB MET A 20 -10.982 -10.217 -3.184 1.00 0.00 C ATOM 256 CG MET A 20 -11.417 -11.350 -2.268 1.00 0.00 C ATOM 257 SD MET A 20 -10.172 -11.756 -1.027 1.00 0.00 S ATOM 258 CE MET A 20 -9.111 -12.858 -1.959 1.00 0.00 C ATOM 0 H MET A 20 -13.135 -8.379 -2.716 1.00 0.00 H new ATOM 0 HA MET A 20 -10.391 -8.768 -1.709 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.590 -10.238 -4.089 1.00 0.00 H new ATOM 0 HB3 MET A 20 -9.949 -10.384 -3.490 1.00 0.00 H new ATOM 0 HG2 MET A 20 -12.345 -11.072 -1.769 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.630 -12.235 -2.867 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.076 -12.715 -1.649 1.00 0.00 H new ATOM 0 HE2 MET A 20 -9.406 -13.891 -1.773 1.00 0.00 H new ATOM 0 HE3 MET A 20 -9.205 -12.640 -3.023 1.00 0.00 H new ATOM 268 N THR A 21 -9.442 -7.520 -3.737 1.00 0.00 N ATOM 269 CA THR A 21 -8.971 -6.514 -4.680 1.00 0.00 C ATOM 270 C THR A 21 -7.960 -7.107 -5.655 1.00 0.00 C ATOM 271 O THR A 21 -7.015 -7.785 -5.252 1.00 0.00 O ATOM 272 CB THR A 21 -8.326 -5.320 -3.953 1.00 0.00 C ATOM 273 OG1 THR A 21 -9.196 -4.849 -2.917 1.00 0.00 O ATOM 274 CG2 THR A 21 -8.031 -4.188 -4.926 1.00 0.00 C ATOM 0 H THR A 21 -8.700 -8.012 -3.240 1.00 0.00 H new ATOM 0 HA THR A 21 -9.844 -6.165 -5.232 1.00 0.00 H new ATOM 0 HB THR A 21 -7.386 -5.656 -3.514 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.778 -4.091 -2.458 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.576 -3.356 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.346 -4.540 -5.697 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.960 -3.856 -5.390 1.00 0.00 H new ATOM 282 N THR A 22 -8.164 -6.845 -6.944 1.00 0.00 N ATOM 283 CA THR A 22 -7.270 -7.353 -7.977 1.00 0.00 C ATOM 284 C THR A 22 -6.266 -6.289 -8.407 1.00 0.00 C ATOM 285 O THR A 22 -6.633 -5.140 -8.655 1.00 0.00 O ATOM 286 CB THR A 22 -8.055 -7.831 -9.212 1.00 0.00 C ATOM 287 OG1 THR A 22 -8.982 -8.856 -8.837 1.00 0.00 O ATOM 288 CG2 THR A 22 -7.111 -8.360 -10.281 1.00 0.00 C ATOM 0 H THR A 22 -8.940 -6.284 -7.296 1.00 0.00 H new ATOM 0 HA THR A 22 -6.735 -8.199 -7.545 1.00 0.00 H new ATOM 0 HB THR A 22 -8.601 -6.980 -9.620 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.478 -9.153 -9.628 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.688 -8.692 -11.144 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.426 -7.569 -10.585 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.542 -9.199 -9.881 1.00 0.00 H new ATOM 296 N ILE A 23 -4.999 -6.678 -8.492 1.00 0.00 N ATOM 297 CA ILE A 23 -3.943 -5.757 -8.895 1.00 0.00 C ATOM 298 C ILE A 23 -3.809 -5.704 -10.413 1.00 0.00 C ATOM 299 O ILE A 23 -3.701 -6.735 -11.074 1.00 0.00 O ATOM 300 CB ILE A 23 -2.586 -6.158 -8.286 1.00 0.00 C ATOM 301 CG1 ILE A 23 -2.697 -6.263 -6.763 1.00 0.00 C ATOM 302 CG2 ILE A 23 -1.514 -5.150 -8.676 1.00 0.00 C ATOM 303 CD1 ILE A 23 -1.525 -6.971 -6.120 1.00 0.00 C ATOM 0 H ILE A 23 -4.678 -7.624 -8.287 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.224 -4.772 -8.523 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.301 -7.134 -8.679 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.781 -5.261 -6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.615 -6.793 -6.509 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.560 -5.446 -8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.421 -5.119 -9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.792 -4.163 -8.307 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.671 -7.009 -5.040 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.453 -7.985 -6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.606 -6.429 -6.343 1.00 0.00 H new ATOM 315 N ALA A 24 -3.816 -4.491 -10.959 1.00 0.00 N ATOM 316 CA ALA A 24 -3.693 -4.302 -12.398 1.00 0.00 C ATOM 317 C ALA A 24 -2.228 -4.235 -12.820 1.00 0.00 C ATOM 318 O ALA A 24 -1.899 -3.673 -13.863 1.00 0.00 O ATOM 319 CB ALA A 24 -4.425 -3.040 -12.830 1.00 0.00 C ATOM 0 H ALA A 24 -3.906 -3.626 -10.426 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.148 -5.161 -12.892 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.324 -2.912 -13.908 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.481 -3.125 -12.572 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.995 -2.178 -12.320 1.00 0.00 H new ATOM 325 N GLN A 25 -1.356 -4.814 -12.001 1.00 0.00 N ATOM 326 CA GLN A 25 0.073 -4.819 -12.289 1.00 0.00 C ATOM 327 C GLN A 25 0.580 -6.240 -12.510 1.00 0.00 C ATOM 328 O GLN A 25 1.327 -6.505 -13.453 1.00 0.00 O ATOM 329 CB GLN A 25 0.848 -4.161 -11.146 1.00 0.00 C ATOM 330 CG GLN A 25 0.893 -2.644 -11.234 1.00 0.00 C ATOM 331 CD GLN A 25 2.144 -2.060 -10.609 1.00 0.00 C ATOM 332 OE1 GLN A 25 3.253 -2.540 -10.847 1.00 0.00 O ATOM 333 NE2 GLN A 25 1.973 -1.019 -9.804 1.00 0.00 N ATOM 0 H GLN A 25 -1.614 -5.285 -11.134 1.00 0.00 H new ATOM 0 HA GLN A 25 0.234 -4.249 -13.204 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.394 -4.448 -10.198 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.868 -4.547 -11.140 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.840 -2.343 -12.280 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.016 -2.229 -10.738 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.036 -0.654 -9.635 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.779 -0.584 -9.354 1.00 0.00 H new ATOM 342 N CYS A 26 0.168 -7.153 -11.637 1.00 0.00 N ATOM 343 CA CYS A 26 0.579 -8.548 -11.735 1.00 0.00 C ATOM 344 C CYS A 26 -0.615 -9.481 -11.556 1.00 0.00 C ATOM 345 O CYS A 26 -0.480 -10.580 -11.018 1.00 0.00 O ATOM 346 CB CYS A 26 1.648 -8.861 -10.687 1.00 0.00 C ATOM 347 SG CYS A 26 1.212 -8.334 -8.999 1.00 0.00 S ATOM 0 H CYS A 26 -0.451 -6.951 -10.852 1.00 0.00 H new ATOM 0 HA CYS A 26 0.997 -8.709 -12.729 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.835 -9.935 -10.684 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.580 -8.376 -10.978 1.00 0.00 H new ATOM 0 HG CYS A 26 0.892 -9.375 -8.289 1.00 0.00 H new ATOM 352 N GLN A 27 -1.781 -9.034 -12.008 1.00 0.00 N ATOM 353 CA GLN A 27 -2.999 -9.828 -11.896 1.00 0.00 C ATOM 354 C GLN A 27 -3.023 -10.607 -10.585 1.00 0.00 C ATOM 355 O GLN A 27 -3.378 -11.786 -10.556 1.00 0.00 O ATOM 356 CB GLN A 27 -3.114 -10.794 -13.078 1.00 0.00 C ATOM 357 CG GLN A 27 -3.632 -10.140 -14.348 1.00 0.00 C ATOM 358 CD GLN A 27 -5.088 -9.731 -14.243 1.00 0.00 C ATOM 359 OE1 GLN A 27 -5.990 -10.550 -14.427 1.00 0.00 O ATOM 360 NE2 GLN A 27 -5.327 -8.458 -13.946 1.00 0.00 N ATOM 0 H GLN A 27 -1.909 -8.126 -12.455 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.849 -9.146 -11.908 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.135 -11.230 -13.277 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.778 -11.613 -12.804 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.027 -9.261 -14.572 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.512 -10.831 -15.183 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.550 -7.813 -13.802 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.288 -8.125 -13.862 1.00 0.00 H new ATOM 369 N CYS A 28 -2.640 -9.941 -9.500 1.00 0.00 N ATOM 370 CA CYS A 28 -2.617 -10.571 -8.185 1.00 0.00 C ATOM 371 C CYS A 28 -3.787 -10.092 -7.331 1.00 0.00 C ATOM 372 O CYS A 28 -3.977 -8.890 -7.138 1.00 0.00 O ATOM 373 CB CYS A 28 -1.296 -10.266 -7.475 1.00 0.00 C ATOM 374 SG CYS A 28 0.126 -11.208 -8.115 1.00 0.00 S ATOM 0 H CYS A 28 -2.342 -8.966 -9.506 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.709 -11.648 -8.324 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.084 -9.201 -7.567 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.410 -10.478 -6.412 1.00 0.00 H new ATOM 0 HG CYS A 28 0.147 -11.133 -9.413 1.00 0.00 H new ATOM 379 N ILE A 29 -4.568 -11.039 -6.823 1.00 0.00 N ATOM 380 CA ILE A 29 -5.719 -10.714 -5.990 1.00 0.00 C ATOM 381 C ILE A 29 -5.391 -10.881 -4.510 1.00 0.00 C ATOM 382 O ILE A 29 -4.646 -11.784 -4.126 1.00 0.00 O ATOM 383 CB ILE A 29 -6.933 -11.596 -6.337 1.00 0.00 C ATOM 384 CG1 ILE A 29 -8.198 -11.041 -5.682 1.00 0.00 C ATOM 385 CG2 ILE A 29 -6.687 -13.032 -5.895 1.00 0.00 C ATOM 386 CD1 ILE A 29 -9.468 -11.388 -6.429 1.00 0.00 C ATOM 0 H ILE A 29 -4.425 -12.038 -6.974 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.968 -9.672 -6.190 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.073 -11.587 -7.418 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.269 -11.425 -4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.114 -9.957 -5.609 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.553 -13.644 -6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.806 -13.424 -6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.525 -13.058 -4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.325 -10.962 -5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.419 -10.981 -7.439 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.576 -12.471 -6.479 1.00 0.00 H new ATOM 398 N PHE A 30 -5.951 -10.005 -3.683 1.00 0.00 N ATOM 399 CA PHE A 30 -5.719 -10.055 -2.244 1.00 0.00 C ATOM 400 C PHE A 30 -6.893 -9.449 -1.482 1.00 0.00 C ATOM 401 O PHE A 30 -7.575 -8.553 -1.979 1.00 0.00 O ATOM 402 CB PHE A 30 -4.428 -9.314 -1.888 1.00 0.00 C ATOM 403 CG PHE A 30 -3.193 -9.957 -2.450 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.742 -11.171 -1.954 1.00 0.00 C ATOM 405 CD2 PHE A 30 -2.481 -9.349 -3.471 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.606 -11.766 -2.469 1.00 0.00 C ATOM 407 CE2 PHE A 30 -1.344 -9.940 -3.989 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.906 -11.150 -3.487 1.00 0.00 C ATOM 0 H PHE A 30 -6.569 -9.252 -3.984 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.622 -11.101 -1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.494 -8.290 -2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.338 -9.259 -0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.285 -11.657 -1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.818 -8.402 -3.867 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.266 -12.712 -2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.798 -9.456 -4.786 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.018 -11.613 -3.890 1.00 0.00 H new ATOM 418 N CYS A 31 -7.125 -9.945 -0.271 1.00 0.00 N ATOM 419 CA CYS A 31 -8.217 -9.455 0.561 1.00 0.00 C ATOM 420 C CYS A 31 -7.939 -8.033 1.040 1.00 0.00 C ATOM 421 O CYS A 31 -6.884 -7.751 1.606 1.00 0.00 O ATOM 422 CB CYS A 31 -8.423 -10.379 1.763 1.00 0.00 C ATOM 423 SG CYS A 31 -7.140 -10.226 3.048 1.00 0.00 S ATOM 0 H CYS A 31 -6.570 -10.687 0.156 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.125 -9.446 -0.042 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.395 -10.167 2.208 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.451 -11.411 1.414 1.00 0.00 H new ATOM 0 HG CYS A 31 -7.402 -11.045 4.023 1.00 0.00 H new ATOM 428 N THR A 32 -8.896 -7.140 0.808 1.00 0.00 N ATOM 429 CA THR A 32 -8.757 -5.747 1.214 1.00 0.00 C ATOM 430 C THR A 32 -7.939 -5.628 2.495 1.00 0.00 C ATOM 431 O THR A 32 -6.866 -5.023 2.504 1.00 0.00 O ATOM 432 CB THR A 32 -10.130 -5.084 1.431 1.00 0.00 C ATOM 433 OG1 THR A 32 -10.854 -5.042 0.196 1.00 0.00 O ATOM 434 CG2 THR A 32 -9.970 -3.675 1.980 1.00 0.00 C ATOM 0 H THR A 32 -9.776 -7.357 0.341 1.00 0.00 H new ATOM 0 HA THR A 32 -8.239 -5.232 0.405 1.00 0.00 H new ATOM 0 HB THR A 32 -10.685 -5.678 2.157 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.727 -4.621 0.343 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.953 -3.227 2.125 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.445 -3.714 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.397 -3.073 1.275 1.00 0.00 H new ATOM 442 N LEU A 33 -8.452 -6.207 3.575 1.00 0.00 N ATOM 443 CA LEU A 33 -7.769 -6.166 4.863 1.00 0.00 C ATOM 444 C LEU A 33 -6.256 -6.240 4.680 1.00 0.00 C ATOM 445 O LEU A 33 -5.541 -5.269 4.932 1.00 0.00 O ATOM 446 CB LEU A 33 -8.242 -7.318 5.751 1.00 0.00 C ATOM 447 CG LEU A 33 -9.612 -7.139 6.408 1.00 0.00 C ATOM 448 CD1 LEU A 33 -10.048 -8.426 7.091 1.00 0.00 C ATOM 449 CD2 LEU A 33 -9.580 -5.989 7.403 1.00 0.00 C ATOM 0 H LEU A 33 -9.339 -6.711 3.584 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.013 -5.219 5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.265 -8.228 5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.502 -7.473 6.536 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.338 -6.900 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.024 -8.280 7.553 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.111 -9.226 6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.321 -8.696 7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.563 -5.876 7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.841 -6.198 8.177 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.313 -5.068 6.886 1.00 0.00 H new ATOM 461 N CYS A 34 -5.775 -7.396 4.237 1.00 0.00 N ATOM 462 CA CYS A 34 -4.347 -7.596 4.017 1.00 0.00 C ATOM 463 C CYS A 34 -3.745 -6.424 3.247 1.00 0.00 C ATOM 464 O CYS A 34 -2.931 -5.670 3.782 1.00 0.00 O ATOM 465 CB CYS A 34 -4.106 -8.900 3.252 1.00 0.00 C ATOM 466 SG CYS A 34 -4.191 -10.396 4.289 1.00 0.00 S ATOM 0 H CYS A 34 -6.353 -8.209 4.023 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.860 -7.657 4.990 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.843 -8.982 2.453 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.126 -8.855 2.778 1.00 0.00 H new ATOM 0 HG CYS A 34 -5.368 -10.936 4.176 1.00 0.00 H new ATOM 471 N LEU A 35 -4.152 -6.277 1.992 1.00 0.00 N ATOM 472 CA LEU A 35 -3.653 -5.196 1.148 1.00 0.00 C ATOM 473 C LEU A 35 -3.553 -3.893 1.934 1.00 0.00 C ATOM 474 O LEU A 35 -2.554 -3.177 1.847 1.00 0.00 O ATOM 475 CB LEU A 35 -4.567 -5.004 -0.063 1.00 0.00 C ATOM 476 CG LEU A 35 -4.155 -5.742 -1.338 1.00 0.00 C ATOM 477 CD1 LEU A 35 -5.298 -5.753 -2.341 1.00 0.00 C ATOM 478 CD2 LEU A 35 -2.915 -5.102 -1.947 1.00 0.00 C ATOM 0 H LEU A 35 -4.826 -6.892 1.536 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.656 -5.469 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.572 -5.326 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.623 -3.938 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.917 -6.773 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.987 -6.282 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.161 -6.256 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.567 -4.728 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.636 -5.640 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.126 -4.061 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.094 -5.146 -1.231 1.00 0.00 H new ATOM 490 N LYS A 36 -4.593 -3.592 2.704 1.00 0.00 N ATOM 491 CA LYS A 36 -4.623 -2.377 3.510 1.00 0.00 C ATOM 492 C LYS A 36 -3.397 -2.294 4.415 1.00 0.00 C ATOM 493 O LYS A 36 -2.603 -1.359 4.314 1.00 0.00 O ATOM 494 CB LYS A 36 -5.897 -2.332 4.355 1.00 0.00 C ATOM 495 CG LYS A 36 -6.109 -1.006 5.067 1.00 0.00 C ATOM 496 CD LYS A 36 -7.411 -0.996 5.850 1.00 0.00 C ATOM 497 CE LYS A 36 -8.571 -0.503 4.997 1.00 0.00 C ATOM 498 NZ LYS A 36 -8.665 0.983 4.995 1.00 0.00 N ATOM 0 H LYS A 36 -5.427 -4.173 2.787 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.613 -1.522 2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.755 -2.532 3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.860 -3.131 5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.275 -0.818 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.116 -0.197 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.626 -2.001 6.213 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.305 -0.357 6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.448 -0.861 3.975 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.503 -0.925 5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.651 1.269 5.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.059 1.370 5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.351 1.349 4.074 1.00 0.00 H new ATOM 512 N GLN A 37 -3.250 -3.278 5.296 1.00 0.00 N ATOM 513 CA GLN A 37 -2.121 -3.316 6.217 1.00 0.00 C ATOM 514 C GLN A 37 -0.798 -3.327 5.457 1.00 0.00 C ATOM 515 O GLN A 37 0.127 -2.586 5.789 1.00 0.00 O ATOM 516 CB GLN A 37 -2.213 -4.546 7.121 1.00 0.00 C ATOM 517 CG GLN A 37 -3.334 -4.466 8.145 1.00 0.00 C ATOM 518 CD GLN A 37 -3.066 -5.315 9.372 1.00 0.00 C ATOM 519 OE1 GLN A 37 -2.144 -5.041 10.142 1.00 0.00 O ATOM 520 NE2 GLN A 37 -3.871 -6.355 9.560 1.00 0.00 N ATOM 0 H GLN A 37 -3.899 -4.059 5.391 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.158 -2.418 6.833 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.360 -5.431 6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.264 -4.675 7.642 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.470 -3.428 8.449 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.267 -4.787 7.682 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.622 -6.545 8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.738 -6.964 10.368 1.00 0.00 H new ATOM 529 N TYR A 38 -0.716 -4.173 4.436 1.00 0.00 N ATOM 530 CA TYR A 38 0.494 -4.283 3.630 1.00 0.00 C ATOM 531 C TYR A 38 0.978 -2.907 3.183 1.00 0.00 C ATOM 532 O TYR A 38 2.091 -2.492 3.504 1.00 0.00 O ATOM 533 CB TYR A 38 0.240 -5.168 2.409 1.00 0.00 C ATOM 534 CG TYR A 38 1.437 -5.295 1.493 1.00 0.00 C ATOM 535 CD1 TYR A 38 2.544 -6.047 1.865 1.00 0.00 C ATOM 536 CD2 TYR A 38 1.461 -4.660 0.257 1.00 0.00 C ATOM 537 CE1 TYR A 38 3.640 -6.165 1.032 1.00 0.00 C ATOM 538 CE2 TYR A 38 2.551 -4.773 -0.582 1.00 0.00 C ATOM 539 CZ TYR A 38 3.638 -5.526 -0.191 1.00 0.00 C ATOM 540 OH TYR A 38 4.727 -5.640 -1.024 1.00 0.00 O ATOM 0 H TYR A 38 -1.473 -4.792 4.147 1.00 0.00 H new ATOM 0 HA TYR A 38 1.270 -4.739 4.246 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.056 -6.161 2.746 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.598 -4.761 1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.548 -6.548 2.822 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.612 -4.068 -0.052 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.493 -6.754 1.336 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.553 -4.274 -1.540 1.00 0.00 H new ATOM 0 HH TYR A 38 4.637 -5.009 -1.768 1.00 0.00 H new ATOM 550 N VAL A 39 0.131 -2.202 2.440 1.00 0.00 N ATOM 551 CA VAL A 39 0.468 -0.872 1.949 1.00 0.00 C ATOM 552 C VAL A 39 0.580 0.126 3.096 1.00 0.00 C ATOM 553 O VAL A 39 1.426 1.019 3.074 1.00 0.00 O ATOM 554 CB VAL A 39 -0.578 -0.362 0.940 1.00 0.00 C ATOM 555 CG1 VAL A 39 -0.825 -1.400 -0.144 1.00 0.00 C ATOM 556 CG2 VAL A 39 -1.875 -0.007 1.654 1.00 0.00 C ATOM 0 H VAL A 39 -0.795 -2.531 2.165 1.00 0.00 H new ATOM 0 HA VAL A 39 1.433 -0.956 1.449 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.191 0.539 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.567 -1.022 -0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.106 -1.603 -0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.192 -2.320 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.604 0.352 0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.268 -0.891 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.683 0.773 2.391 1.00 0.00 H new ATOM 566 N GLU A 40 -0.278 -0.034 4.098 1.00 0.00 N ATOM 567 CA GLU A 40 -0.276 0.853 5.255 1.00 0.00 C ATOM 568 C GLU A 40 1.082 0.837 5.950 1.00 0.00 C ATOM 569 O GLU A 40 1.792 1.844 5.975 1.00 0.00 O ATOM 570 CB GLU A 40 -1.372 0.444 6.242 1.00 0.00 C ATOM 571 CG GLU A 40 -2.701 1.136 5.996 1.00 0.00 C ATOM 572 CD GLU A 40 -3.754 0.760 7.021 1.00 0.00 C ATOM 573 OE1 GLU A 40 -3.752 -0.405 7.471 1.00 0.00 O ATOM 574 OE2 GLU A 40 -4.578 1.629 7.373 1.00 0.00 O ATOM 0 H GLU A 40 -0.984 -0.770 4.132 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.473 1.866 4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.517 -0.635 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.038 0.667 7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.553 2.216 6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.061 0.879 5.000 1.00 0.00 H new ATOM 581 N LEU A 41 1.437 -0.312 6.514 1.00 0.00 N ATOM 582 CA LEU A 41 2.711 -0.461 7.211 1.00 0.00 C ATOM 583 C LEU A 41 3.868 0.009 6.336 1.00 0.00 C ATOM 584 O LEU A 41 4.784 0.684 6.809 1.00 0.00 O ATOM 585 CB LEU A 41 2.923 -1.920 7.617 1.00 0.00 C ATOM 586 CG LEU A 41 2.409 -2.313 9.002 1.00 0.00 C ATOM 587 CD1 LEU A 41 0.957 -2.760 8.926 1.00 0.00 C ATOM 588 CD2 LEU A 41 3.275 -3.412 9.602 1.00 0.00 C ATOM 0 H LEU A 41 0.861 -1.154 6.503 1.00 0.00 H new ATOM 0 HA LEU A 41 2.683 0.159 8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.437 -2.556 6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.990 -2.137 7.573 1.00 0.00 H new ATOM 0 HG LEU A 41 2.466 -1.438 9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.609 -3.036 9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.345 -1.945 8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.875 -3.620 8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.894 -3.678 10.588 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.251 -4.289 8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.301 -3.057 9.694 1.00 0.00 H new ATOM 600 N LEU A 42 3.820 -0.348 5.057 1.00 0.00 N ATOM 601 CA LEU A 42 4.864 0.039 4.115 1.00 0.00 C ATOM 602 C LEU A 42 5.039 1.555 4.089 1.00 0.00 C ATOM 603 O LEU A 42 6.159 2.061 4.146 1.00 0.00 O ATOM 604 CB LEU A 42 4.528 -0.471 2.713 1.00 0.00 C ATOM 605 CG LEU A 42 4.849 -1.940 2.439 1.00 0.00 C ATOM 606 CD1 LEU A 42 4.049 -2.449 1.249 1.00 0.00 C ATOM 607 CD2 LEU A 42 6.340 -2.124 2.199 1.00 0.00 C ATOM 0 H LEU A 42 3.069 -0.905 4.649 1.00 0.00 H new ATOM 0 HA LEU A 42 5.801 -0.411 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.464 -0.313 2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.066 0.139 1.987 1.00 0.00 H new ATOM 0 HG LEU A 42 4.567 -2.523 3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.291 -3.497 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.984 -2.353 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.299 -1.862 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.550 -3.176 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.646 -1.529 1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.893 -1.800 3.080 1.00 0.00 H new ATOM 619 N ILE A 43 3.923 2.272 4.004 1.00 0.00 N ATOM 620 CA ILE A 43 3.953 3.729 3.974 1.00 0.00 C ATOM 621 C ILE A 43 4.367 4.299 5.327 1.00 0.00 C ATOM 622 O ILE A 43 5.158 5.238 5.403 1.00 0.00 O ATOM 623 CB ILE A 43 2.584 4.312 3.581 1.00 0.00 C ATOM 624 CG1 ILE A 43 2.203 3.867 2.168 1.00 0.00 C ATOM 625 CG2 ILE A 43 2.608 5.831 3.675 1.00 0.00 C ATOM 626 CD1 ILE A 43 0.738 4.065 1.846 1.00 0.00 C ATOM 0 H ILE A 43 2.988 1.868 3.955 1.00 0.00 H new ATOM 0 HA ILE A 43 4.689 4.014 3.222 1.00 0.00 H new ATOM 0 HB ILE A 43 1.833 3.936 4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.803 4.422 1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.454 2.813 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.633 6.228 3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.840 6.129 4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.368 6.225 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.540 3.728 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.131 3.488 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.486 5.122 1.934 1.00 0.00 H new ATOM 638 N LYS A 44 3.825 3.722 6.396 1.00 0.00 N ATOM 639 CA LYS A 44 4.138 4.169 7.748 1.00 0.00 C ATOM 640 C LYS A 44 5.646 4.189 7.978 1.00 0.00 C ATOM 641 O LYS A 44 6.166 5.067 8.664 1.00 0.00 O ATOM 642 CB LYS A 44 3.466 3.256 8.777 1.00 0.00 C ATOM 643 CG LYS A 44 2.055 3.686 9.139 1.00 0.00 C ATOM 644 CD LYS A 44 1.516 2.893 10.318 1.00 0.00 C ATOM 645 CE LYS A 44 1.808 3.591 11.638 1.00 0.00 C ATOM 646 NZ LYS A 44 3.104 3.152 12.224 1.00 0.00 N ATOM 0 H LYS A 44 3.167 2.944 6.351 1.00 0.00 H new ATOM 0 HA LYS A 44 3.756 5.183 7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.438 2.239 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.074 3.233 9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.048 4.749 9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.400 3.551 8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.440 2.758 10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.963 1.899 10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.827 4.670 11.482 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.003 3.385 12.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.090 3.307 13.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.249 2.141 12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.880 3.701 11.802 1.00 0.00 H new ATOM 660 N GLU A 45 6.342 3.214 7.400 1.00 0.00 N ATOM 661 CA GLU A 45 7.790 3.122 7.544 1.00 0.00 C ATOM 662 C GLU A 45 8.469 4.391 7.036 1.00 0.00 C ATOM 663 O GLU A 45 9.179 5.068 7.778 1.00 0.00 O ATOM 664 CB GLU A 45 8.323 1.906 6.784 1.00 0.00 C ATOM 665 CG GLU A 45 9.838 1.786 6.812 1.00 0.00 C ATOM 666 CD GLU A 45 10.312 0.349 6.728 1.00 0.00 C ATOM 667 OE1 GLU A 45 10.066 -0.297 5.688 1.00 0.00 O ATOM 668 OE2 GLU A 45 10.927 -0.131 7.703 1.00 0.00 O ATOM 0 H GLU A 45 5.927 2.478 6.829 1.00 0.00 H new ATOM 0 HA GLU A 45 8.018 3.008 8.604 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.888 1.002 7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.991 1.962 5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.259 2.352 5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.217 2.236 7.729 1.00 0.00 H new ATOM 675 N GLY A 46 8.245 4.706 5.763 1.00 0.00 N ATOM 676 CA GLY A 46 8.842 5.892 5.176 1.00 0.00 C ATOM 677 C GLY A 46 9.983 5.561 4.236 1.00 0.00 C ATOM 678 O GLY A 46 10.117 6.167 3.171 1.00 0.00 O ATOM 0 H GLY A 46 7.661 4.161 5.128 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.078 6.449 4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.207 6.543 5.971 1.00 0.00 H new ATOM 682 N LEU A 47 10.812 4.598 4.628 1.00 0.00 N ATOM 683 CA LEU A 47 11.949 4.188 3.813 1.00 0.00 C ATOM 684 C LEU A 47 11.504 3.822 2.401 1.00 0.00 C ATOM 685 O LEU A 47 11.950 4.422 1.424 1.00 0.00 O ATOM 686 CB LEU A 47 12.663 3.000 4.459 1.00 0.00 C ATOM 687 CG LEU A 47 13.763 2.343 3.624 1.00 0.00 C ATOM 688 CD1 LEU A 47 14.906 3.318 3.385 1.00 0.00 C ATOM 689 CD2 LEU A 47 14.270 1.082 4.309 1.00 0.00 C ATOM 0 H LEU A 47 10.717 4.087 5.506 1.00 0.00 H new ATOM 0 HA LEU A 47 12.640 5.029 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 47 13.099 3.332 5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.918 2.243 4.702 1.00 0.00 H new ATOM 0 HG LEU A 47 13.342 2.064 2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.679 2.833 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.533 4.193 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.326 3.628 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.052 0.627 3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.674 1.337 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 47 13.447 0.377 4.428 1.00 0.00 H new ATOM 701 N GLU A 48 10.620 2.834 2.302 1.00 0.00 N ATOM 702 CA GLU A 48 10.113 2.389 1.010 1.00 0.00 C ATOM 703 C GLU A 48 9.244 3.465 0.366 1.00 0.00 C ATOM 704 O GLU A 48 8.233 3.885 0.933 1.00 0.00 O ATOM 705 CB GLU A 48 9.310 1.096 1.169 1.00 0.00 C ATOM 706 CG GLU A 48 9.391 0.177 -0.038 1.00 0.00 C ATOM 707 CD GLU A 48 8.838 -1.206 0.246 1.00 0.00 C ATOM 708 OE1 GLU A 48 9.260 -1.819 1.249 1.00 0.00 O ATOM 709 OE2 GLU A 48 7.985 -1.676 -0.536 1.00 0.00 O ATOM 0 H GLU A 48 10.240 2.327 3.101 1.00 0.00 H new ATOM 0 HA GLU A 48 10.967 2.199 0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.670 0.561 2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.266 1.347 1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.840 0.622 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.430 0.091 -0.356 1.00 0.00 H new ATOM 716 N THR A 49 9.643 3.909 -0.822 1.00 0.00 N ATOM 717 CA THR A 49 8.903 4.937 -1.542 1.00 0.00 C ATOM 718 C THR A 49 7.812 4.322 -2.411 1.00 0.00 C ATOM 719 O THR A 49 6.767 4.933 -2.638 1.00 0.00 O ATOM 720 CB THR A 49 9.836 5.783 -2.430 1.00 0.00 C ATOM 721 OG1 THR A 49 10.700 4.927 -3.186 1.00 0.00 O ATOM 722 CG2 THR A 49 10.667 6.737 -1.587 1.00 0.00 C ATOM 0 H THR A 49 10.475 3.572 -1.306 1.00 0.00 H new ATOM 0 HA THR A 49 8.445 5.582 -0.791 1.00 0.00 H new ATOM 0 HB THR A 49 9.220 6.370 -3.112 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.289 5.471 -3.749 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.318 7.323 -2.236 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.006 7.406 -1.036 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.274 6.167 -0.884 1.00 0.00 H new ATOM 730 N ALA A 50 8.060 3.109 -2.895 1.00 0.00 N ATOM 731 CA ALA A 50 7.098 2.411 -3.737 1.00 0.00 C ATOM 732 C ALA A 50 6.463 1.242 -2.992 1.00 0.00 C ATOM 733 O ALA A 50 6.937 0.842 -1.928 1.00 0.00 O ATOM 734 CB ALA A 50 7.767 1.924 -5.014 1.00 0.00 C ATOM 0 H ALA A 50 8.920 2.590 -2.718 1.00 0.00 H new ATOM 0 HA ALA A 50 6.307 3.114 -4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.035 1.404 -5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.167 2.776 -5.563 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.579 1.242 -4.762 1.00 0.00 H new ATOM 740 N ILE A 51 5.390 0.698 -3.556 1.00 0.00 N ATOM 741 CA ILE A 51 4.691 -0.425 -2.944 1.00 0.00 C ATOM 742 C ILE A 51 4.698 -1.643 -3.863 1.00 0.00 C ATOM 743 O ILE A 51 3.831 -1.787 -4.724 1.00 0.00 O ATOM 744 CB ILE A 51 3.234 -0.063 -2.601 1.00 0.00 C ATOM 745 CG1 ILE A 51 3.192 1.182 -1.714 1.00 0.00 C ATOM 746 CG2 ILE A 51 2.547 -1.233 -1.914 1.00 0.00 C ATOM 747 CD1 ILE A 51 4.121 1.108 -0.523 1.00 0.00 C ATOM 0 H ILE A 51 4.986 1.017 -4.436 1.00 0.00 H new ATOM 0 HA ILE A 51 5.223 -0.664 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 51 2.700 0.155 -3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.452 2.054 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.172 1.332 -1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.518 -0.963 -1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.552 -2.098 -2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.078 -1.478 -0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.038 2.025 0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.848 0.256 0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.148 0.990 -0.869 1.00 0.00 H new ATOM 759 N SER A 52 5.681 -2.516 -3.672 1.00 0.00 N ATOM 760 CA SER A 52 5.802 -3.721 -4.485 1.00 0.00 C ATOM 761 C SER A 52 4.703 -4.722 -4.140 1.00 0.00 C ATOM 762 O SER A 52 3.851 -4.458 -3.290 1.00 0.00 O ATOM 763 CB SER A 52 7.175 -4.365 -4.280 1.00 0.00 C ATOM 764 OG SER A 52 7.441 -4.570 -2.903 1.00 0.00 O ATOM 0 H SER A 52 6.405 -2.412 -2.962 1.00 0.00 H new ATOM 0 HA SER A 52 5.695 -3.435 -5.531 1.00 0.00 H new ATOM 0 HB2 SER A 52 7.216 -5.318 -4.807 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.947 -3.728 -4.712 1.00 0.00 H new ATOM 0 HG SER A 52 8.323 -4.984 -2.798 1.00 0.00 H new ATOM 770 N CYS A 53 4.727 -5.870 -4.806 1.00 0.00 N ATOM 771 CA CYS A 53 3.733 -6.911 -4.573 1.00 0.00 C ATOM 772 C CYS A 53 3.962 -7.589 -3.225 1.00 0.00 C ATOM 773 O CYS A 53 5.085 -7.936 -2.858 1.00 0.00 O ATOM 774 CB CYS A 53 3.782 -7.952 -5.694 1.00 0.00 C ATOM 775 SG CYS A 53 2.512 -9.251 -5.558 1.00 0.00 S ATOM 0 H CYS A 53 5.425 -6.104 -5.512 1.00 0.00 H new ATOM 0 HA CYS A 53 2.749 -6.443 -4.563 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.666 -7.445 -6.652 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.766 -8.420 -5.698 1.00 0.00 H new ATOM 0 HG CYS A 53 1.721 -9.194 -6.588 1.00 0.00 H new ATOM 780 N PRO A 54 2.871 -7.783 -2.469 1.00 0.00 N ATOM 781 CA PRO A 54 2.927 -8.421 -1.150 1.00 0.00 C ATOM 782 C PRO A 54 3.249 -9.909 -1.238 1.00 0.00 C ATOM 783 O PRO A 54 3.409 -10.581 -0.219 1.00 0.00 O ATOM 784 CB PRO A 54 1.515 -8.213 -0.596 1.00 0.00 C ATOM 785 CG PRO A 54 0.652 -8.071 -1.801 1.00 0.00 C ATOM 786 CD PRO A 54 1.501 -7.395 -2.842 1.00 0.00 C ATOM 0 HA PRO A 54 3.713 -7.996 -0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.202 -9.058 0.018 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.464 -7.325 0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.307 -9.044 -2.151 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.236 -7.480 -1.577 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.248 -7.731 -3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.371 -6.313 -2.826 1.00 0.00 H new ATOM 794 N ASP A 55 3.346 -10.417 -2.462 1.00 0.00 N ATOM 795 CA ASP A 55 3.651 -11.825 -2.684 1.00 0.00 C ATOM 796 C ASP A 55 5.054 -11.992 -3.260 1.00 0.00 C ATOM 797 O ASP A 55 5.291 -11.711 -4.434 1.00 0.00 O ATOM 798 CB ASP A 55 2.621 -12.450 -3.625 1.00 0.00 C ATOM 799 CG ASP A 55 1.484 -13.118 -2.878 1.00 0.00 C ATOM 800 OD1 ASP A 55 1.186 -12.689 -1.744 1.00 0.00 O ATOM 801 OD2 ASP A 55 0.891 -14.070 -3.428 1.00 0.00 O ATOM 0 H ASP A 55 3.218 -9.874 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 55 3.609 -12.337 -1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.217 -11.679 -4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.114 -13.184 -4.262 1.00 0.00 H new ATOM 806 N ALA A 56 5.980 -12.451 -2.425 1.00 0.00 N ATOM 807 CA ALA A 56 7.360 -12.656 -2.852 1.00 0.00 C ATOM 808 C ALA A 56 7.444 -13.723 -3.938 1.00 0.00 C ATOM 809 O ALA A 56 8.274 -13.636 -4.843 1.00 0.00 O ATOM 810 CB ALA A 56 8.227 -13.040 -1.663 1.00 0.00 C ATOM 0 H ALA A 56 5.801 -12.688 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 56 7.730 -11.720 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.254 -13.190 -1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.199 -12.243 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.850 -13.962 -1.221 1.00 0.00 H new ATOM 816 N ALA A 57 6.582 -14.729 -3.842 1.00 0.00 N ATOM 817 CA ALA A 57 6.559 -15.812 -4.817 1.00 0.00 C ATOM 818 C ALA A 57 5.732 -15.431 -6.041 1.00 0.00 C ATOM 819 O ALA A 57 5.012 -16.260 -6.599 1.00 0.00 O ATOM 820 CB ALA A 57 6.012 -17.082 -4.184 1.00 0.00 C ATOM 0 H ALA A 57 5.890 -14.817 -3.098 1.00 0.00 H new ATOM 0 HA ALA A 57 7.583 -15.994 -5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.001 -17.882 -4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.645 -17.372 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.997 -16.903 -3.828 1.00 0.00 H new ATOM 826 N CYS A 58 5.839 -14.172 -6.453 1.00 0.00 N ATOM 827 CA CYS A 58 5.100 -13.681 -7.610 1.00 0.00 C ATOM 828 C CYS A 58 5.906 -13.871 -8.892 1.00 0.00 C ATOM 829 O CYS A 58 7.023 -13.371 -9.032 1.00 0.00 O ATOM 830 CB CYS A 58 4.751 -12.202 -7.428 1.00 0.00 C ATOM 831 SG CYS A 58 3.566 -11.561 -8.655 1.00 0.00 S ATOM 0 H CYS A 58 6.430 -13.473 -6.003 1.00 0.00 H new ATOM 0 HA CYS A 58 4.179 -14.258 -7.693 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.338 -12.057 -6.430 1.00 0.00 H new ATOM 0 HB3 CYS A 58 5.667 -11.614 -7.482 1.00 0.00 H new ATOM 0 HG CYS A 58 2.371 -11.560 -8.144 1.00 0.00 H new ATOM 836 N PRO A 59 5.329 -14.611 -9.850 1.00 0.00 N ATOM 837 CA PRO A 59 5.976 -14.884 -11.137 1.00 0.00 C ATOM 838 C PRO A 59 6.066 -13.641 -12.016 1.00 0.00 C ATOM 839 O PRO A 59 6.771 -13.631 -13.024 1.00 0.00 O ATOM 840 CB PRO A 59 5.059 -15.927 -11.780 1.00 0.00 C ATOM 841 CG PRO A 59 3.727 -15.697 -11.157 1.00 0.00 C ATOM 842 CD PRO A 59 4.000 -15.238 -9.751 1.00 0.00 C ATOM 0 HA PRO A 59 7.006 -15.219 -11.012 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.016 -15.803 -12.862 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.416 -16.939 -11.589 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.162 -14.946 -11.710 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.132 -16.610 -11.161 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.246 -14.530 -9.406 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.000 -16.072 -9.049 1.00 0.00 H new ATOM 850 N LYS A 60 5.348 -12.593 -11.626 1.00 0.00 N ATOM 851 CA LYS A 60 5.349 -11.343 -12.375 1.00 0.00 C ATOM 852 C LYS A 60 6.079 -10.246 -11.606 1.00 0.00 C ATOM 853 O LYS A 60 6.580 -9.291 -12.197 1.00 0.00 O ATOM 854 CB LYS A 60 3.913 -10.902 -12.672 1.00 0.00 C ATOM 855 CG LYS A 60 3.818 -9.801 -13.715 1.00 0.00 C ATOM 856 CD LYS A 60 2.535 -9.905 -14.520 1.00 0.00 C ATOM 857 CE LYS A 60 2.643 -10.963 -15.607 1.00 0.00 C ATOM 858 NZ LYS A 60 1.623 -10.768 -16.675 1.00 0.00 N ATOM 0 H LYS A 60 4.757 -12.585 -10.794 1.00 0.00 H new ATOM 0 HA LYS A 60 5.874 -11.513 -13.315 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.340 -11.764 -13.013 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.449 -10.557 -11.748 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.863 -8.829 -13.224 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.675 -9.859 -14.386 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.706 -10.148 -13.855 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.309 -8.939 -14.972 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.640 -10.931 -16.047 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.521 -11.952 -15.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.730 -11.509 -17.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.671 -10.824 -16.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.755 -9.835 -17.115 1.00 0.00 H new ATOM 872 N GLN A 61 6.135 -10.393 -10.286 1.00 0.00 N ATOM 873 CA GLN A 61 6.805 -9.415 -9.438 1.00 0.00 C ATOM 874 C GLN A 61 6.338 -8.001 -9.764 1.00 0.00 C ATOM 875 O GLN A 61 7.150 -7.102 -9.979 1.00 0.00 O ATOM 876 CB GLN A 61 8.322 -9.516 -9.607 1.00 0.00 C ATOM 877 CG GLN A 61 8.905 -10.822 -9.091 1.00 0.00 C ATOM 878 CD GLN A 61 10.396 -10.733 -8.833 1.00 0.00 C ATOM 879 OE1 GLN A 61 10.991 -9.659 -8.929 1.00 0.00 O ATOM 880 NE2 GLN A 61 11.009 -11.864 -8.503 1.00 0.00 N ATOM 0 H GLN A 61 5.725 -11.179 -9.782 1.00 0.00 H new ATOM 0 HA GLN A 61 6.547 -9.633 -8.402 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.570 -9.409 -10.663 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.794 -8.685 -9.083 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.397 -11.103 -8.169 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.712 -11.613 -9.815 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.477 -12.731 -8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.012 -11.865 -8.318 1.00 0.00 H new ATOM 889 N GLY A 62 5.022 -7.809 -9.799 1.00 0.00 N ATOM 890 CA GLY A 62 4.470 -6.502 -10.101 1.00 0.00 C ATOM 891 C GLY A 62 4.462 -5.584 -8.895 1.00 0.00 C ATOM 892 O GLY A 62 5.023 -5.914 -7.850 1.00 0.00 O ATOM 0 H GLY A 62 4.329 -8.536 -9.623 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.051 -6.042 -10.900 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.452 -6.618 -10.472 1.00 0.00 H new ATOM 896 N HIS A 63 3.824 -4.426 -9.038 1.00 0.00 N ATOM 897 CA HIS A 63 3.746 -3.457 -7.952 1.00 0.00 C ATOM 898 C HIS A 63 2.313 -2.964 -7.765 1.00 0.00 C ATOM 899 O HIS A 63 1.395 -3.419 -8.450 1.00 0.00 O ATOM 900 CB HIS A 63 4.672 -2.272 -8.229 1.00 0.00 C ATOM 901 CG HIS A 63 6.082 -2.674 -8.535 1.00 0.00 C ATOM 902 ND1 HIS A 63 6.461 -3.237 -9.735 1.00 0.00 N ATOM 903 CD2 HIS A 63 7.208 -2.589 -7.788 1.00 0.00 C ATOM 904 CE1 HIS A 63 7.758 -3.483 -9.713 1.00 0.00 C ATOM 905 NE2 HIS A 63 8.236 -3.098 -8.543 1.00 0.00 N ATOM 0 H HIS A 63 3.354 -4.137 -9.896 1.00 0.00 H new ATOM 0 HA HIS A 63 4.065 -3.951 -7.034 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.276 -1.700 -9.068 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.671 -1.610 -7.363 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.284 -2.195 -6.785 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.331 -3.924 -10.515 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.210 -3.168 -8.248 1.00 0.00 H new ATOM 913 N LEU A 64 2.129 -2.035 -6.834 1.00 0.00 N ATOM 914 CA LEU A 64 0.808 -1.482 -6.556 1.00 0.00 C ATOM 915 C LEU A 64 0.687 -0.062 -7.102 1.00 0.00 C ATOM 916 O LEU A 64 1.267 0.874 -6.553 1.00 0.00 O ATOM 917 CB LEU A 64 0.538 -1.487 -5.050 1.00 0.00 C ATOM 918 CG LEU A 64 -0.090 -2.761 -4.485 1.00 0.00 C ATOM 919 CD1 LEU A 64 -1.485 -2.966 -5.054 1.00 0.00 C ATOM 920 CD2 LEU A 64 0.791 -3.966 -4.781 1.00 0.00 C ATOM 0 H LEU A 64 2.878 -1.649 -6.259 1.00 0.00 H new ATOM 0 HA LEU A 64 0.067 -2.107 -7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.480 -1.310 -4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.117 -0.648 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.173 -2.654 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.916 -3.878 -4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.114 -2.115 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.426 -3.052 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.329 -4.864 -4.372 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.906 -4.076 -5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.770 -3.822 -4.324 1.00 0.00 H new ATOM 932 N GLN A 65 -0.072 0.087 -8.182 1.00 0.00 N ATOM 933 CA GLN A 65 -0.270 1.393 -8.800 1.00 0.00 C ATOM 934 C GLN A 65 -1.011 2.335 -7.856 1.00 0.00 C ATOM 935 O GLN A 65 -1.946 1.929 -7.168 1.00 0.00 O ATOM 936 CB GLN A 65 -1.048 1.248 -10.110 1.00 0.00 C ATOM 937 CG GLN A 65 -2.383 0.539 -9.948 1.00 0.00 C ATOM 938 CD GLN A 65 -2.268 -0.965 -10.104 1.00 0.00 C ATOM 939 OE1 GLN A 65 -2.223 -1.484 -11.219 1.00 0.00 O ATOM 940 NE2 GLN A 65 -2.219 -1.673 -8.982 1.00 0.00 N ATOM 0 H GLN A 65 -0.559 -0.679 -8.647 1.00 0.00 H new ATOM 0 HA GLN A 65 0.710 1.819 -9.013 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.220 2.238 -10.532 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.438 0.698 -10.826 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -2.795 0.768 -8.965 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -3.087 0.924 -10.686 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.259 -1.201 -8.079 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.141 -2.689 -9.023 1.00 0.00 H new ATOM 949 N GLU A 66 -0.586 3.595 -7.831 1.00 0.00 N ATOM 950 CA GLU A 66 -1.209 4.593 -6.971 1.00 0.00 C ATOM 951 C GLU A 66 -2.728 4.460 -6.994 1.00 0.00 C ATOM 952 O GLU A 66 -3.399 4.715 -5.995 1.00 0.00 O ATOM 953 CB GLU A 66 -0.802 6.002 -7.410 1.00 0.00 C ATOM 954 CG GLU A 66 -0.753 7.004 -6.269 1.00 0.00 C ATOM 955 CD GLU A 66 0.611 7.075 -5.612 1.00 0.00 C ATOM 956 OE1 GLU A 66 1.595 6.628 -6.239 1.00 0.00 O ATOM 957 OE2 GLU A 66 0.697 7.576 -4.471 1.00 0.00 O ATOM 0 H GLU A 66 0.186 3.948 -8.396 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.863 4.423 -5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.178 5.957 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.505 6.356 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.022 7.991 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.499 6.734 -5.521 1.00 0.00 H new ATOM 964 N ASN A 67 -3.264 4.059 -8.143 1.00 0.00 N ATOM 965 CA ASN A 67 -4.704 3.892 -8.298 1.00 0.00 C ATOM 966 C ASN A 67 -5.275 3.028 -7.178 1.00 0.00 C ATOM 967 O ASN A 67 -6.339 3.325 -6.633 1.00 0.00 O ATOM 968 CB ASN A 67 -5.023 3.264 -9.656 1.00 0.00 C ATOM 969 CG ASN A 67 -4.129 3.792 -10.761 1.00 0.00 C ATOM 970 OD1 ASN A 67 -3.704 4.947 -10.733 1.00 0.00 O ATOM 971 ND2 ASN A 67 -3.840 2.946 -11.743 1.00 0.00 N ATOM 0 H ASN A 67 -2.722 3.844 -8.980 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.167 4.877 -8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.912 2.182 -9.588 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.065 3.462 -9.909 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.244 3.245 -12.515 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.214 1.997 -11.726 1.00 0.00 H new ATOM 978 N GLU A 68 -4.562 1.958 -6.841 1.00 0.00 N ATOM 979 CA GLU A 68 -4.999 1.051 -5.786 1.00 0.00 C ATOM 980 C GLU A 68 -4.842 1.698 -4.413 1.00 0.00 C ATOM 981 O GLU A 68 -5.827 1.955 -3.720 1.00 0.00 O ATOM 982 CB GLU A 68 -4.201 -0.254 -5.842 1.00 0.00 C ATOM 983 CG GLU A 68 -4.643 -1.190 -6.954 1.00 0.00 C ATOM 984 CD GLU A 68 -5.848 -2.025 -6.568 1.00 0.00 C ATOM 985 OE1 GLU A 68 -6.985 -1.529 -6.718 1.00 0.00 O ATOM 986 OE2 GLU A 68 -5.656 -3.173 -6.118 1.00 0.00 O ATOM 0 H GLU A 68 -3.680 1.698 -7.283 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.054 0.830 -5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.145 -0.019 -5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.295 -0.769 -4.886 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.880 -0.606 -7.843 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.817 -1.851 -7.218 1.00 0.00 H new ATOM 993 N ILE A 69 -3.598 1.957 -4.026 1.00 0.00 N ATOM 994 CA ILE A 69 -3.311 2.574 -2.736 1.00 0.00 C ATOM 995 C ILE A 69 -4.260 3.735 -2.460 1.00 0.00 C ATOM 996 O ILE A 69 -4.849 3.825 -1.384 1.00 0.00 O ATOM 997 CB ILE A 69 -1.860 3.083 -2.666 1.00 0.00 C ATOM 998 CG1 ILE A 69 -0.881 1.933 -2.913 1.00 0.00 C ATOM 999 CG2 ILE A 69 -1.592 3.733 -1.317 1.00 0.00 C ATOM 1000 CD1 ILE A 69 0.439 2.379 -3.502 1.00 0.00 C ATOM 0 H ILE A 69 -2.772 1.749 -4.587 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.453 1.803 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.715 3.832 -3.444 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.694 1.417 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.344 1.211 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.562 4.088 -1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.271 4.574 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.751 3.003 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.083 1.512 -3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.263 2.868 -4.460 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.924 3.078 -2.821 1.00 0.00 H new ATOM 1012 N GLU A 70 -4.403 4.621 -3.441 1.00 0.00 N ATOM 1013 CA GLU A 70 -5.281 5.777 -3.303 1.00 0.00 C ATOM 1014 C GLU A 70 -6.517 5.427 -2.480 1.00 0.00 C ATOM 1015 O GLU A 70 -6.698 5.928 -1.369 1.00 0.00 O ATOM 1016 CB GLU A 70 -5.702 6.293 -4.681 1.00 0.00 C ATOM 1017 CG GLU A 70 -6.186 7.733 -4.671 1.00 0.00 C ATOM 1018 CD GLU A 70 -6.302 8.320 -6.064 1.00 0.00 C ATOM 1019 OE1 GLU A 70 -7.239 7.937 -6.793 1.00 0.00 O ATOM 1020 OE2 GLU A 70 -5.453 9.163 -6.424 1.00 0.00 O ATOM 0 H GLU A 70 -3.923 4.560 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.729 6.560 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.858 6.207 -5.365 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.495 5.655 -5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.157 7.782 -4.178 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.498 8.339 -4.082 1.00 0.00 H new ATOM 1027 N CYS A 71 -7.362 4.563 -3.031 1.00 0.00 N ATOM 1028 CA CYS A 71 -8.582 4.146 -2.348 1.00 0.00 C ATOM 1029 C CYS A 71 -8.261 3.223 -1.177 1.00 0.00 C ATOM 1030 O CYS A 71 -8.790 3.389 -0.079 1.00 0.00 O ATOM 1031 CB CYS A 71 -9.524 3.441 -3.326 1.00 0.00 C ATOM 1032 SG CYS A 71 -11.200 3.198 -2.693 1.00 0.00 S ATOM 0 H CYS A 71 -7.225 4.138 -3.948 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.075 5.038 -1.960 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.576 4.022 -4.247 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -9.101 2.470 -3.585 1.00 0.00 H new ATOM 0 HG CYS A 71 -11.921 2.597 -3.592 1.00 0.00 H new ATOM 1038 N MET A 72 -7.393 2.247 -1.422 1.00 0.00 N ATOM 1039 CA MET A 72 -7.002 1.295 -0.387 1.00 0.00 C ATOM 1040 C MET A 72 -6.902 1.981 0.972 1.00 0.00 C ATOM 1041 O MET A 72 -7.477 1.517 1.956 1.00 0.00 O ATOM 1042 CB MET A 72 -5.664 0.644 -0.743 1.00 0.00 C ATOM 1043 CG MET A 72 -5.475 -0.733 -0.127 1.00 0.00 C ATOM 1044 SD MET A 72 -6.155 -2.051 -1.153 1.00 0.00 S ATOM 1045 CE MET A 72 -4.787 -2.348 -2.272 1.00 0.00 C ATOM 0 H MET A 72 -6.947 2.094 -2.327 1.00 0.00 H new ATOM 0 HA MET A 72 -7.769 0.523 -0.329 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.586 0.562 -1.827 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.854 1.295 -0.414 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.412 -0.913 0.032 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.952 -0.757 0.853 1.00 0.00 H new ATOM 0 HE1 MET A 72 -5.041 -3.164 -2.948 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.588 -1.446 -2.851 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.899 -2.615 -1.699 1.00 0.00 H new ATOM 1055 N VAL A 73 -6.168 3.088 1.019 1.00 0.00 N ATOM 1056 CA VAL A 73 -5.993 3.837 2.257 1.00 0.00 C ATOM 1057 C VAL A 73 -6.755 5.157 2.212 1.00 0.00 C ATOM 1058 O VAL A 73 -7.196 5.595 1.151 1.00 0.00 O ATOM 1059 CB VAL A 73 -4.505 4.126 2.534 1.00 0.00 C ATOM 1060 CG1 VAL A 73 -3.703 2.833 2.532 1.00 0.00 C ATOM 1061 CG2 VAL A 73 -3.954 5.108 1.512 1.00 0.00 C ATOM 0 H VAL A 73 -5.685 3.486 0.214 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.391 3.217 3.061 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.417 4.579 3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -2.654 3.055 2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.085 2.167 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.795 2.349 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.902 5.301 1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.052 4.686 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.512 6.043 1.568 1.00 0.00 H new ATOM 1071 N ALA A 74 -6.905 5.786 3.373 1.00 0.00 N ATOM 1072 CA ALA A 74 -7.611 7.058 3.467 1.00 0.00 C ATOM 1073 C ALA A 74 -6.648 8.232 3.338 1.00 0.00 C ATOM 1074 O ALA A 74 -5.430 8.053 3.355 1.00 0.00 O ATOM 1075 CB ALA A 74 -8.376 7.142 4.780 1.00 0.00 C ATOM 0 H ALA A 74 -6.547 5.435 4.262 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.321 7.112 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.898 8.097 4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.100 6.329 4.832 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.678 7.060 5.613 1.00 0.00 H new ATOM 1081 N ALA A 75 -7.200 9.435 3.209 1.00 0.00 N ATOM 1082 CA ALA A 75 -6.389 10.638 3.078 1.00 0.00 C ATOM 1083 C ALA A 75 -5.296 10.681 4.141 1.00 0.00 C ATOM 1084 O ALA A 75 -4.110 10.747 3.822 1.00 0.00 O ATOM 1085 CB ALA A 75 -7.266 11.878 3.169 1.00 0.00 C ATOM 0 H ALA A 75 -8.206 9.601 3.193 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.908 10.618 2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.647 12.770 3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.007 11.859 2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.774 11.895 4.133 1.00 0.00 H new ATOM 1091 N GLU A 76 -5.705 10.646 5.405 1.00 0.00 N ATOM 1092 CA GLU A 76 -4.759 10.683 6.515 1.00 0.00 C ATOM 1093 C GLU A 76 -3.520 9.850 6.201 1.00 0.00 C ATOM 1094 O GLU A 76 -2.393 10.276 6.453 1.00 0.00 O ATOM 1095 CB GLU A 76 -5.422 10.171 7.796 1.00 0.00 C ATOM 1096 CG GLU A 76 -6.039 8.791 7.653 1.00 0.00 C ATOM 1097 CD GLU A 76 -7.000 8.462 8.778 1.00 0.00 C ATOM 1098 OE1 GLU A 76 -7.771 9.358 9.180 1.00 0.00 O ATOM 1099 OE2 GLU A 76 -6.981 7.309 9.257 1.00 0.00 O ATOM 0 H GLU A 76 -6.684 10.592 5.686 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.451 11.718 6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.680 10.147 8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.196 10.876 8.101 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.566 8.730 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.246 8.044 7.627 1.00 0.00 H new ATOM 1106 N ILE A 77 -3.739 8.659 5.652 1.00 0.00 N ATOM 1107 CA ILE A 77 -2.641 7.765 5.305 1.00 0.00 C ATOM 1108 C ILE A 77 -1.979 8.190 3.998 1.00 0.00 C ATOM 1109 O ILE A 77 -0.805 8.556 3.976 1.00 0.00 O ATOM 1110 CB ILE A 77 -3.120 6.308 5.174 1.00 0.00 C ATOM 1111 CG1 ILE A 77 -3.610 5.786 6.528 1.00 0.00 C ATOM 1112 CG2 ILE A 77 -2.004 5.429 4.633 1.00 0.00 C ATOM 1113 CD1 ILE A 77 -2.574 5.892 7.625 1.00 0.00 C ATOM 0 H ILE A 77 -4.666 8.291 5.438 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.915 7.828 6.116 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.952 6.276 4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.499 6.343 6.823 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.909 4.743 6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.359 4.402 4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.699 5.791 3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.153 5.462 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.989 5.505 8.556 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.693 5.312 7.351 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.293 6.936 7.760 1.00 0.00 H new ATOM 1125 N MET A 78 -2.743 8.140 2.911 1.00 0.00 N ATOM 1126 CA MET A 78 -2.232 8.522 1.601 1.00 0.00 C ATOM 1127 C MET A 78 -1.222 9.660 1.721 1.00 0.00 C ATOM 1128 O MET A 78 -0.131 9.593 1.157 1.00 0.00 O ATOM 1129 CB MET A 78 -3.382 8.942 0.683 1.00 0.00 C ATOM 1130 CG MET A 78 -3.026 8.902 -0.795 1.00 0.00 C ATOM 1131 SD MET A 78 -2.662 7.235 -1.376 1.00 0.00 S ATOM 1132 CE MET A 78 -2.358 7.543 -3.115 1.00 0.00 C ATOM 0 H MET A 78 -3.717 7.839 2.912 1.00 0.00 H new ATOM 0 HA MET A 78 -1.729 7.657 1.170 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.235 8.287 0.861 1.00 0.00 H new ATOM 0 HB3 MET A 78 -3.695 9.952 0.946 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.852 9.312 -1.375 1.00 0.00 H new ATOM 0 HG3 MET A 78 -2.162 9.542 -0.974 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.294 6.594 -3.647 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.174 8.136 -3.528 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.420 8.087 -3.230 1.00 0.00 H new ATOM 1142 N GLN A 79 -1.594 10.700 2.459 1.00 0.00 N ATOM 1143 CA GLN A 79 -0.721 11.851 2.652 1.00 0.00 C ATOM 1144 C GLN A 79 0.729 11.411 2.826 1.00 0.00 C ATOM 1145 O GLN A 79 1.629 11.935 2.170 1.00 0.00 O ATOM 1146 CB GLN A 79 -1.169 12.659 3.871 1.00 0.00 C ATOM 1147 CG GLN A 79 -0.715 14.110 3.839 1.00 0.00 C ATOM 1148 CD GLN A 79 -1.557 15.005 4.727 1.00 0.00 C ATOM 1149 OE1 GLN A 79 -2.549 14.566 5.309 1.00 0.00 O ATOM 1150 NE2 GLN A 79 -1.166 16.270 4.835 1.00 0.00 N ATOM 0 H GLN A 79 -2.494 10.769 2.933 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.788 12.479 1.763 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.257 12.629 3.937 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.781 12.185 4.773 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.327 14.168 4.155 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.758 14.478 2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.337 16.592 4.335 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.694 16.919 5.418 1.00 0.00 H new ATOM 1159 N ARG A 80 0.948 10.445 3.712 1.00 0.00 N ATOM 1160 CA ARG A 80 2.289 9.936 3.973 1.00 0.00 C ATOM 1161 C ARG A 80 2.932 9.418 2.689 1.00 0.00 C ATOM 1162 O ARG A 80 3.994 9.888 2.281 1.00 0.00 O ATOM 1163 CB ARG A 80 2.239 8.819 5.017 1.00 0.00 C ATOM 1164 CG ARG A 80 1.719 9.274 6.371 1.00 0.00 C ATOM 1165 CD ARG A 80 1.678 8.127 7.367 1.00 0.00 C ATOM 1166 NE ARG A 80 2.933 7.995 8.103 1.00 0.00 N ATOM 1167 CZ ARG A 80 3.331 8.854 9.034 1.00 0.00 C ATOM 1168 NH1 ARG A 80 2.577 9.900 9.343 1.00 0.00 N ATOM 1169 NH2 ARG A 80 4.486 8.667 9.660 1.00 0.00 N ATOM 0 H ARG A 80 0.214 9.999 4.261 1.00 0.00 H new ATOM 0 HA ARG A 80 2.894 10.757 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.605 8.014 4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 80 3.239 8.405 5.142 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.356 10.070 6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.719 9.693 6.256 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.861 8.287 8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.468 7.197 6.840 1.00 0.00 H new ATOM 0 HE ARG A 80 3.536 7.200 7.890 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.688 10.047 8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.886 10.558 10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.069 7.863 9.426 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.791 9.327 10.375 1.00 0.00 H new ATOM 1183 N TYR A 81 2.282 8.447 2.058 1.00 0.00 N ATOM 1184 CA TYR A 81 2.791 7.863 0.823 1.00 0.00 C ATOM 1185 C TYR A 81 3.126 8.948 -0.195 1.00 0.00 C ATOM 1186 O TYR A 81 4.251 9.028 -0.690 1.00 0.00 O ATOM 1187 CB TYR A 81 1.766 6.893 0.231 1.00 0.00 C ATOM 1188 CG TYR A 81 2.286 6.112 -0.955 1.00 0.00 C ATOM 1189 CD1 TYR A 81 3.443 5.348 -0.855 1.00 0.00 C ATOM 1190 CD2 TYR A 81 1.621 6.138 -2.173 1.00 0.00 C ATOM 1191 CE1 TYR A 81 3.922 4.633 -1.936 1.00 0.00 C ATOM 1192 CE2 TYR A 81 2.092 5.425 -3.259 1.00 0.00 C ATOM 1193 CZ TYR A 81 3.242 4.675 -3.136 1.00 0.00 C ATOM 1194 OH TYR A 81 3.715 3.965 -4.216 1.00 0.00 O ATOM 0 H TYR A 81 1.401 8.047 2.382 1.00 0.00 H new ATOM 0 HA TYR A 81 3.704 7.317 1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.450 6.194 1.005 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.882 7.453 -0.073 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.976 5.313 0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.720 6.725 -2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.823 4.045 -1.842 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.562 5.455 -4.199 1.00 0.00 H new ATOM 0 HH TYR A 81 3.120 4.101 -4.983 1.00 0.00 H new ATOM 1204 N LYS A 82 2.141 9.784 -0.505 1.00 0.00 N ATOM 1205 CA LYS A 82 2.329 10.868 -1.463 1.00 0.00 C ATOM 1206 C LYS A 82 3.479 11.775 -1.039 1.00 0.00 C ATOM 1207 O LYS A 82 4.249 12.251 -1.875 1.00 0.00 O ATOM 1208 CB LYS A 82 1.042 11.687 -1.595 1.00 0.00 C ATOM 1209 CG LYS A 82 -0.083 10.942 -2.291 1.00 0.00 C ATOM 1210 CD LYS A 82 0.173 10.813 -3.784 1.00 0.00 C ATOM 1211 CE LYS A 82 -0.363 12.013 -4.548 1.00 0.00 C ATOM 1212 NZ LYS A 82 0.664 13.081 -4.697 1.00 0.00 N ATOM 0 H LYS A 82 1.203 9.732 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 82 2.574 10.428 -2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.708 11.987 -0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.258 12.601 -2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.190 9.950 -1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.024 11.466 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.244 10.715 -3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.297 9.903 -4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.701 11.694 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.232 12.415 -4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.484 13.616 -5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.617 13.724 -3.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.609 12.650 -4.744 1.00 0.00 H new ATOM 1226 N LYS A 83 3.594 12.009 0.264 1.00 0.00 N ATOM 1227 CA LYS A 83 4.654 12.856 0.800 1.00 0.00 C ATOM 1228 C LYS A 83 6.028 12.281 0.474 1.00 0.00 C ATOM 1229 O LYS A 83 6.951 13.014 0.118 1.00 0.00 O ATOM 1230 CB LYS A 83 4.498 13.006 2.314 1.00 0.00 C ATOM 1231 CG LYS A 83 5.681 13.683 2.983 1.00 0.00 C ATOM 1232 CD LYS A 83 5.830 13.245 4.430 1.00 0.00 C ATOM 1233 CE LYS A 83 5.026 14.131 5.368 1.00 0.00 C ATOM 1234 NZ LYS A 83 5.716 15.424 5.635 1.00 0.00 N ATOM 0 H LYS A 83 2.966 11.624 0.969 1.00 0.00 H new ATOM 0 HA LYS A 83 4.571 13.838 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.596 13.581 2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.357 12.020 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.593 13.448 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.554 14.765 2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.501 12.211 4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.882 13.274 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.046 14.325 4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.859 13.607 6.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.137 16.000 6.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.641 15.240 6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.853 15.936 4.740 1.00 0.00 H new ATOM 1248 N LEU A 84 6.157 10.963 0.595 1.00 0.00 N ATOM 1249 CA LEU A 84 7.420 10.289 0.312 1.00 0.00 C ATOM 1250 C LEU A 84 7.841 10.510 -1.137 1.00 0.00 C ATOM 1251 O LEU A 84 8.925 11.025 -1.406 1.00 0.00 O ATOM 1252 CB LEU A 84 7.295 8.792 0.597 1.00 0.00 C ATOM 1253 CG LEU A 84 7.252 8.391 2.072 1.00 0.00 C ATOM 1254 CD1 LEU A 84 6.866 6.926 2.216 1.00 0.00 C ATOM 1255 CD2 LEU A 84 8.595 8.658 2.736 1.00 0.00 C ATOM 0 H LEU A 84 5.403 10.341 0.887 1.00 0.00 H new ATOM 0 HA LEU A 84 8.185 10.714 0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.389 8.425 0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.135 8.282 0.127 1.00 0.00 H new ATOM 0 HG LEU A 84 6.495 8.996 2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.841 6.659 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.882 6.764 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.599 6.304 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.546 8.367 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.370 8.079 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.831 9.720 2.665 1.00 0.00 H new ATOM 1267 N GLN A 85 6.974 10.118 -2.067 1.00 0.00 N ATOM 1268 CA GLN A 85 7.257 10.274 -3.489 1.00 0.00 C ATOM 1269 C GLN A 85 7.471 11.742 -3.842 1.00 0.00 C ATOM 1270 O GLN A 85 8.502 12.112 -4.405 1.00 0.00 O ATOM 1271 CB GLN A 85 6.113 9.697 -4.323 1.00 0.00 C ATOM 1272 CG GLN A 85 6.230 8.201 -4.566 1.00 0.00 C ATOM 1273 CD GLN A 85 7.380 7.848 -5.488 1.00 0.00 C ATOM 1274 OE1 GLN A 85 8.546 8.065 -5.158 1.00 0.00 O ATOM 1275 NE2 GLN A 85 7.055 7.300 -6.654 1.00 0.00 N ATOM 0 H GLN A 85 6.071 9.691 -1.861 1.00 0.00 H new ATOM 0 HA GLN A 85 8.173 9.728 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.168 9.902 -3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.080 10.211 -5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.365 7.691 -3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.298 7.833 -4.996 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.075 7.138 -6.886 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.786 7.041 -7.317 1.00 0.00 H new ATOM 1284 N PHE A 86 6.491 12.575 -3.510 1.00 0.00 N ATOM 1285 CA PHE A 86 6.571 14.003 -3.795 1.00 0.00 C ATOM 1286 C PHE A 86 7.997 14.514 -3.612 1.00 0.00 C ATOM 1287 O PHE A 86 8.584 15.085 -4.530 1.00 0.00 O ATOM 1288 CB PHE A 86 5.618 14.780 -2.884 1.00 0.00 C ATOM 1289 CG PHE A 86 5.441 16.217 -3.288 1.00 0.00 C ATOM 1290 CD1 PHE A 86 4.740 16.545 -4.436 1.00 0.00 C ATOM 1291 CD2 PHE A 86 5.977 17.237 -2.519 1.00 0.00 C ATOM 1292 CE1 PHE A 86 4.576 17.867 -4.811 1.00 0.00 C ATOM 1293 CE2 PHE A 86 5.815 18.559 -2.887 1.00 0.00 C ATOM 1294 CZ PHE A 86 5.115 18.874 -4.036 1.00 0.00 C ATOM 0 H PHE A 86 5.631 12.286 -3.043 1.00 0.00 H new ATOM 0 HA PHE A 86 6.278 14.159 -4.833 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.645 14.288 -2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.994 14.742 -1.861 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.316 15.761 -5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.528 16.996 -1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 86 4.027 18.110 -5.709 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.235 19.345 -2.277 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.990 19.906 -4.327 1.00 0.00 H new