USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 401 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 Single : A 1 SER N :NH3+ -113:sc= 0.183 (180deg=0) USER MOD Single : A 1 SER OG : rot -134:sc= 0.932 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 1.05 (180deg=1.05) USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 2.23 (180deg=2.12) USER MOD Single : A 13 LYS NZ :NH3+ -139:sc= 1.2 (180deg=0.47) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 142:sc= 1.22 USER MOD Single : A 23 SER OG : rot -33:sc= 0.55 USER MOD Single : A 25 THR OG1 : rot -50:sc= 0.853 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 33 TYR OH : rot -140:sc= 1.21 USER MOD Single : A 39 ASN : amide:sc= -1.56 K(o=-1.6,f=-6.1!) USER MOD Single : A 41 ASN : amide:sc= 3.01 K(o=3,f=-6.4!) USER MOD Single : A 42 ASN : amide:sc= 0.725 K(o=0.73,f=-2.2) USER MOD Single : A 45 THR OG1 : rot -170:sc= 0.765 USER MOD Single : A 47 HIS : no HD1:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 48 GLN : amide:sc= 0.845 K(o=0.85,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -13.740 1.663 3.429 1.00 2.59 N ATOM 2 CA SER A 1 -13.123 0.647 2.554 1.00 1.83 C ATOM 3 C SER A 1 -11.668 0.496 2.975 1.00 1.18 C ATOM 4 O SER A 1 -11.139 1.436 3.566 1.00 1.08 O ATOM 5 CB SER A 1 -13.193 1.053 1.072 1.00 2.16 C ATOM 6 OG SER A 1 -12.530 0.082 0.287 1.00 3.35 O ATOM 0 H1 SER A 1 -14.454 1.211 4.035 1.00 2.59 H new ATOM 0 H2 SER A 1 -13.007 2.100 4.024 1.00 2.59 H new ATOM 0 H3 SER A 1 -14.194 2.394 2.845 1.00 2.59 H new ATOM 0 HA SER A 1 -13.665 -0.293 2.658 1.00 1.83 H new ATOM 0 HB2 SER A 1 -14.233 1.143 0.757 1.00 2.16 H new ATOM 0 HB3 SER A 1 -12.731 2.030 0.929 1.00 2.16 H new ATOM 0 HG SER A 1 -11.949 0.529 -0.363 1.00 3.35 H new ATOM 14 N ILE A 2 -11.015 -0.619 2.623 1.00 0.97 N ATOM 15 CA ILE A 2 -9.571 -0.762 2.782 1.00 0.85 C ATOM 16 C ILE A 2 -8.848 0.444 2.192 1.00 0.72 C ATOM 17 O ILE A 2 -7.851 0.890 2.744 1.00 0.96 O ATOM 18 CB ILE A 2 -9.041 -2.073 2.166 1.00 0.85 C ATOM 19 CG1 ILE A 2 -9.357 -2.206 0.663 1.00 0.83 C ATOM 20 CG2 ILE A 2 -9.554 -3.278 2.959 1.00 1.01 C ATOM 21 CD1 ILE A 2 -8.890 -3.544 0.082 1.00 1.68 C ATOM 0 H ILE A 2 -11.473 -1.438 2.224 1.00 0.97 H new ATOM 0 HA ILE A 2 -9.366 -0.808 3.852 1.00 0.85 H new ATOM 0 HB ILE A 2 -7.954 -2.044 2.237 1.00 0.85 H new ATOM 0 HG12 ILE A 2 -10.431 -2.102 0.510 1.00 0.83 H new ATOM 0 HG13 ILE A 2 -8.878 -1.391 0.121 1.00 0.83 H new ATOM 0 HG21 ILE A 2 -9.172 -4.196 2.513 1.00 1.01 H new ATOM 0 HG22 ILE A 2 -9.212 -3.206 3.991 1.00 1.01 H new ATOM 0 HG23 ILE A 2 -10.644 -3.290 2.938 1.00 1.01 H new ATOM 0 HD11 ILE A 2 -9.137 -3.586 -0.979 1.00 1.68 H new ATOM 0 HD12 ILE A 2 -7.811 -3.639 0.208 1.00 1.68 H new ATOM 0 HD13 ILE A 2 -9.389 -4.361 0.603 1.00 1.68 H new ATOM 33 N CYS A 3 -9.388 1.015 1.110 1.00 0.67 N ATOM 34 CA CYS A 3 -8.782 2.144 0.415 1.00 0.78 C ATOM 35 C CYS A 3 -8.421 3.295 1.360 1.00 0.83 C ATOM 36 O CYS A 3 -7.541 4.088 1.043 1.00 1.03 O ATOM 37 CB CYS A 3 -9.691 2.670 -0.702 1.00 1.00 C ATOM 38 SG CYS A 3 -10.439 1.456 -1.811 1.00 1.40 S ATOM 0 H CYS A 3 -10.264 0.701 0.693 1.00 0.67 H new ATOM 0 HA CYS A 3 -7.859 1.762 -0.021 1.00 0.78 H new ATOM 0 HB2 CYS A 3 -10.495 3.243 -0.240 1.00 1.00 H new ATOM 0 HB3 CYS A 3 -9.111 3.366 -1.308 1.00 1.00 H new ATOM 43 N SER A 4 -9.099 3.407 2.509 1.00 0.80 N ATOM 44 CA SER A 4 -8.866 4.489 3.447 1.00 0.98 C ATOM 45 C SER A 4 -7.523 4.291 4.168 1.00 0.99 C ATOM 46 O SER A 4 -6.869 5.271 4.510 1.00 1.24 O ATOM 47 CB SER A 4 -10.008 4.505 4.474 1.00 1.11 C ATOM 48 OG SER A 4 -10.958 5.504 4.158 1.00 1.47 O ATOM 0 H SER A 4 -9.819 2.748 2.805 1.00 0.80 H new ATOM 0 HA SER A 4 -8.833 5.436 2.909 1.00 0.98 H new ATOM 0 HB2 SER A 4 -10.494 3.530 4.498 1.00 1.11 H new ATOM 0 HB3 SER A 4 -9.604 4.684 5.470 1.00 1.11 H new ATOM 0 HG SER A 4 -11.677 5.495 4.824 1.00 1.47 H new ATOM 54 N GLU A 5 -7.149 3.040 4.460 1.00 0.80 N ATOM 55 CA GLU A 5 -6.092 2.699 5.410 1.00 0.64 C ATOM 56 C GLU A 5 -4.717 3.194 4.938 1.00 0.70 C ATOM 57 O GLU A 5 -4.180 2.622 3.991 1.00 1.25 O ATOM 58 CB GLU A 5 -6.073 1.170 5.601 1.00 0.74 C ATOM 59 CG GLU A 5 -6.728 0.735 6.916 1.00 1.20 C ATOM 60 CD GLU A 5 -5.714 0.825 8.044 1.00 2.87 C ATOM 61 OE1 GLU A 5 -5.221 1.948 8.295 1.00 4.27 O ATOM 62 OE2 GLU A 5 -5.331 -0.242 8.560 1.00 3.45 O ATOM 0 H GLU A 5 -7.583 2.222 4.032 1.00 0.80 H new ATOM 0 HA GLU A 5 -6.302 3.195 6.358 1.00 0.64 H new ATOM 0 HB2 GLU A 5 -6.591 0.696 4.767 1.00 0.74 H new ATOM 0 HB3 GLU A 5 -5.042 0.817 5.578 1.00 0.74 H new ATOM 0 HG2 GLU A 5 -7.587 1.370 7.134 1.00 1.20 H new ATOM 0 HG3 GLU A 5 -7.100 -0.286 6.829 1.00 1.20 H new ATOM 69 N PRO A 6 -4.094 4.205 5.567 1.00 0.77 N ATOM 70 CA PRO A 6 -2.831 4.729 5.083 1.00 0.84 C ATOM 71 C PRO A 6 -1.711 3.697 5.255 1.00 0.83 C ATOM 72 O PRO A 6 -1.708 2.927 6.222 1.00 1.31 O ATOM 73 CB PRO A 6 -2.575 6.008 5.886 1.00 1.16 C ATOM 74 CG PRO A 6 -3.321 5.755 7.195 1.00 1.45 C ATOM 75 CD PRO A 6 -4.530 4.930 6.750 1.00 1.27 C ATOM 0 HA PRO A 6 -2.861 4.949 4.016 1.00 0.84 H new ATOM 0 HB2 PRO A 6 -1.511 6.171 6.054 1.00 1.16 H new ATOM 0 HB3 PRO A 6 -2.955 6.890 5.370 1.00 1.16 H new ATOM 0 HG2 PRO A 6 -2.705 5.213 7.912 1.00 1.45 H new ATOM 0 HG3 PRO A 6 -3.623 6.687 7.674 1.00 1.45 H new ATOM 0 HD2 PRO A 6 -4.847 4.244 7.535 1.00 1.27 H new ATOM 0 HD3 PRO A 6 -5.381 5.572 6.525 1.00 1.27 H new ATOM 83 N LYS A 7 -0.773 3.714 4.299 1.00 0.81 N ATOM 84 CA LYS A 7 0.470 2.951 4.229 1.00 0.77 C ATOM 85 C LYS A 7 1.091 2.719 5.596 1.00 0.71 C ATOM 86 O LYS A 7 1.343 3.668 6.345 1.00 0.81 O ATOM 87 CB LYS A 7 1.460 3.751 3.371 1.00 0.84 C ATOM 88 CG LYS A 7 2.968 3.559 3.607 1.00 0.93 C ATOM 89 CD LYS A 7 3.725 4.854 3.278 1.00 1.46 C ATOM 90 CE LYS A 7 3.243 6.080 4.081 1.00 2.18 C ATOM 91 NZ LYS A 7 2.920 5.780 5.499 1.00 3.66 N ATOM 0 H LYS A 7 -0.879 4.318 3.484 1.00 0.81 H new ATOM 0 HA LYS A 7 0.248 1.973 3.802 1.00 0.77 H new ATOM 0 HB2 LYS A 7 1.257 3.516 2.326 1.00 0.84 H new ATOM 0 HB3 LYS A 7 1.236 4.809 3.509 1.00 0.84 H new ATOM 0 HG2 LYS A 7 3.148 3.277 4.644 1.00 0.93 H new ATOM 0 HG3 LYS A 7 3.340 2.744 2.986 1.00 0.93 H new ATOM 0 HD2 LYS A 7 4.787 4.701 3.469 1.00 1.46 H new ATOM 0 HD3 LYS A 7 3.620 5.065 2.214 1.00 1.46 H new ATOM 0 HE2 LYS A 7 4.014 6.849 4.049 1.00 2.18 H new ATOM 0 HE3 LYS A 7 2.359 6.495 3.597 1.00 2.18 H new ATOM 0 HZ1 LYS A 7 2.604 6.649 5.974 1.00 3.66 H new ATOM 0 HZ2 LYS A 7 2.163 5.068 5.539 1.00 3.66 H new ATOM 0 HZ3 LYS A 7 3.767 5.412 5.978 1.00 3.66 H new ATOM 105 N LYS A 8 1.486 1.466 5.798 1.00 0.83 N ATOM 106 CA LYS A 8 2.196 0.923 6.941 1.00 0.89 C ATOM 107 C LYS A 8 3.259 -0.050 6.423 1.00 0.89 C ATOM 108 O LYS A 8 3.061 -0.638 5.362 1.00 1.03 O ATOM 109 CB LYS A 8 1.200 0.216 7.866 1.00 1.11 C ATOM 110 CG LYS A 8 -0.140 0.934 7.990 1.00 1.66 C ATOM 111 CD LYS A 8 -0.966 0.266 9.092 1.00 2.45 C ATOM 112 CE LYS A 8 -2.432 0.718 9.100 1.00 4.00 C ATOM 113 NZ LYS A 8 -2.644 2.122 8.683 1.00 5.36 N ATOM 0 H LYS A 8 1.299 0.745 5.102 1.00 0.83 H new ATOM 0 HA LYS A 8 2.683 1.713 7.512 1.00 0.89 H new ATOM 0 HB2 LYS A 8 1.028 -0.794 7.495 1.00 1.11 H new ATOM 0 HB3 LYS A 8 1.644 0.120 8.857 1.00 1.11 H new ATOM 0 HG2 LYS A 8 0.018 1.987 8.224 1.00 1.66 H new ATOM 0 HG3 LYS A 8 -0.677 0.895 7.042 1.00 1.66 H new ATOM 0 HD2 LYS A 8 -0.926 -0.816 8.963 1.00 2.45 H new ATOM 0 HD3 LYS A 8 -0.518 0.489 10.060 1.00 2.45 H new ATOM 0 HE2 LYS A 8 -3.004 0.066 8.440 1.00 4.00 H new ATOM 0 HE3 LYS A 8 -2.834 0.586 10.104 1.00 4.00 H new ATOM 0 HZ1 LYS A 8 -3.633 2.391 8.861 1.00 5.36 H new ATOM 0 HZ2 LYS A 8 -2.012 2.745 9.226 1.00 5.36 H new ATOM 0 HZ3 LYS A 8 -2.436 2.218 7.668 1.00 5.36 H new ATOM 127 N VAL A 9 4.383 -0.174 7.136 1.00 0.98 N ATOM 128 CA VAL A 9 5.583 -0.880 6.674 1.00 0.83 C ATOM 129 C VAL A 9 5.918 -2.083 7.572 1.00 1.12 C ATOM 130 O VAL A 9 6.629 -2.994 7.156 1.00 1.94 O ATOM 131 CB VAL A 9 6.754 0.126 6.639 1.00 0.68 C ATOM 132 CG1 VAL A 9 8.027 -0.490 6.040 1.00 0.80 C ATOM 133 CG2 VAL A 9 6.381 1.380 5.832 1.00 1.10 C ATOM 0 H VAL A 9 4.486 0.222 8.070 1.00 0.98 H new ATOM 0 HA VAL A 9 5.403 -1.279 5.676 1.00 0.83 H new ATOM 0 HB VAL A 9 6.954 0.401 7.675 1.00 0.68 H new ATOM 0 HG11 VAL A 9 8.824 0.254 6.036 1.00 0.80 H new ATOM 0 HG12 VAL A 9 8.334 -1.347 6.640 1.00 0.80 H new ATOM 0 HG13 VAL A 9 7.828 -0.815 5.019 1.00 0.80 H new ATOM 0 HG21 VAL A 9 7.224 2.071 5.824 1.00 1.10 H new ATOM 0 HG22 VAL A 9 6.136 1.095 4.809 1.00 1.10 H new ATOM 0 HG23 VAL A 9 5.519 1.864 6.290 1.00 1.10 H new ATOM 143 N GLY A 10 5.441 -2.068 8.820 1.00 1.06 N ATOM 144 CA GLY A 10 5.760 -3.082 9.809 1.00 1.53 C ATOM 145 C GLY A 10 7.205 -2.991 10.299 1.00 1.50 C ATOM 146 O GLY A 10 8.116 -2.569 9.589 1.00 2.16 O ATOM 0 H GLY A 10 4.817 -1.341 9.168 1.00 1.06 H new ATOM 0 HA2 GLY A 10 5.085 -2.980 10.659 1.00 1.53 H new ATOM 0 HA3 GLY A 10 5.587 -4.069 9.381 1.00 1.53 H new ATOM 150 N ARG A 11 7.427 -3.407 11.546 1.00 1.73 N ATOM 151 CA ARG A 11 8.734 -3.361 12.191 1.00 2.07 C ATOM 152 C ARG A 11 9.638 -4.510 11.725 1.00 1.71 C ATOM 153 O ARG A 11 10.224 -5.201 12.557 1.00 1.83 O ATOM 154 CB ARG A 11 8.556 -3.272 13.723 1.00 3.08 C ATOM 155 CG ARG A 11 7.661 -4.337 14.397 1.00 3.05 C ATOM 156 CD ARG A 11 8.385 -5.530 15.037 1.00 4.01 C ATOM 157 NE ARG A 11 9.267 -5.124 16.147 1.00 5.28 N ATOM 158 CZ ARG A 11 10.612 -5.111 16.143 1.00 6.54 C ATOM 159 NH1 ARG A 11 11.297 -5.327 15.017 1.00 6.99 N ATOM 160 NH2 ARG A 11 11.272 -4.873 17.283 1.00 7.88 N ATOM 0 H ARG A 11 6.693 -3.790 12.142 1.00 1.73 H new ATOM 0 HA ARG A 11 9.262 -2.458 11.884 1.00 2.07 H new ATOM 0 HB2 ARG A 11 9.544 -3.323 14.181 1.00 3.08 H new ATOM 0 HB3 ARG A 11 8.146 -2.290 13.958 1.00 3.08 H new ATOM 0 HG2 ARG A 11 7.066 -3.846 15.167 1.00 3.05 H new ATOM 0 HG3 ARG A 11 6.965 -4.720 13.651 1.00 3.05 H new ATOM 0 HD2 ARG A 11 7.648 -6.244 15.405 1.00 4.01 H new ATOM 0 HD3 ARG A 11 8.975 -6.044 14.277 1.00 4.01 H new ATOM 0 HE ARG A 11 8.810 -4.822 17.007 1.00 5.28 H new ATOM 0 HH11 ARG A 11 10.800 -5.505 14.144 1.00 6.99 H new ATOM 0 HH12 ARG A 11 12.317 -5.314 15.030 1.00 6.99 H new ATOM 0 HH21 ARG A 11 10.755 -4.703 18.146 1.00 7.88 H new ATOM 0 HH22 ARG A 11 12.292 -4.861 17.289 1.00 7.88 H new ATOM 174 N CYS A 12 9.771 -4.711 10.408 1.00 1.60 N ATOM 175 CA CYS A 12 10.525 -5.825 9.837 1.00 1.32 C ATOM 176 C CYS A 12 11.570 -5.329 8.846 1.00 1.57 C ATOM 177 O CYS A 12 11.332 -4.402 8.076 1.00 1.89 O ATOM 178 CB CYS A 12 9.595 -6.820 9.142 1.00 1.39 C ATOM 179 SG CYS A 12 8.497 -7.726 10.264 1.00 2.01 S ATOM 0 H CYS A 12 9.354 -4.099 9.707 1.00 1.60 H new ATOM 0 HA CYS A 12 11.030 -6.329 10.661 1.00 1.32 H new ATOM 0 HB2 CYS A 12 8.988 -6.283 8.413 1.00 1.39 H new ATOM 0 HB3 CYS A 12 10.199 -7.537 8.587 1.00 1.39 H new ATOM 184 N LYS A 13 12.727 -5.991 8.851 1.00 1.87 N ATOM 185 CA LYS A 13 13.853 -5.666 7.990 1.00 2.42 C ATOM 186 C LYS A 13 13.677 -6.412 6.670 1.00 2.33 C ATOM 187 O LYS A 13 14.322 -7.438 6.447 1.00 3.44 O ATOM 188 CB LYS A 13 15.166 -6.008 8.722 1.00 3.03 C ATOM 189 CG LYS A 13 16.423 -5.334 8.140 1.00 3.96 C ATOM 190 CD LYS A 13 17.069 -5.990 6.905 1.00 5.48 C ATOM 191 CE LYS A 13 17.597 -7.412 7.174 1.00 6.81 C ATOM 192 NZ LYS A 13 16.715 -8.460 6.619 1.00 7.80 N ATOM 0 H LYS A 13 12.906 -6.783 9.468 1.00 1.87 H new ATOM 0 HA LYS A 13 13.896 -4.601 7.760 1.00 2.42 H new ATOM 0 HB2 LYS A 13 15.068 -5.720 9.769 1.00 3.03 H new ATOM 0 HB3 LYS A 13 15.307 -7.089 8.700 1.00 3.03 H new ATOM 0 HG2 LYS A 13 16.166 -4.307 7.881 1.00 3.96 H new ATOM 0 HG3 LYS A 13 17.175 -5.285 8.928 1.00 3.96 H new ATOM 0 HD2 LYS A 13 16.337 -6.029 6.098 1.00 5.48 H new ATOM 0 HD3 LYS A 13 17.892 -5.364 6.559 1.00 5.48 H new ATOM 0 HE2 LYS A 13 18.592 -7.514 6.742 1.00 6.81 H new ATOM 0 HE3 LYS A 13 17.699 -7.560 8.249 1.00 6.81 H new ATOM 0 HZ1 LYS A 13 16.639 -9.245 7.297 1.00 7.80 H new ATOM 0 HZ2 LYS A 13 15.771 -8.061 6.443 1.00 7.80 H new ATOM 0 HZ3 LYS A 13 17.114 -8.813 5.726 1.00 7.80 H new ATOM 206 N GLY A 14 12.813 -5.902 5.796 1.00 1.33 N ATOM 207 CA GLY A 14 12.708 -6.360 4.418 1.00 1.19 C ATOM 208 C GLY A 14 12.350 -5.190 3.504 1.00 1.12 C ATOM 209 O GLY A 14 12.232 -4.055 3.965 1.00 1.51 O ATOM 0 H GLY A 14 12.161 -5.153 6.029 1.00 1.33 H new ATOM 0 HA2 GLY A 14 13.652 -6.804 4.101 1.00 1.19 H new ATOM 0 HA3 GLY A 14 11.948 -7.138 4.342 1.00 1.19 H new ATOM 213 N TYR A 15 12.215 -5.463 2.204 1.00 1.14 N ATOM 214 CA TYR A 15 11.948 -4.478 1.172 1.00 1.14 C ATOM 215 C TYR A 15 11.081 -5.142 0.107 1.00 1.12 C ATOM 216 O TYR A 15 11.522 -6.103 -0.518 1.00 1.67 O ATOM 217 CB TYR A 15 13.282 -4.010 0.579 1.00 1.16 C ATOM 218 CG TYR A 15 13.145 -2.989 -0.535 1.00 1.22 C ATOM 219 CD1 TYR A 15 12.962 -3.415 -1.865 1.00 1.41 C ATOM 220 CD2 TYR A 15 13.195 -1.614 -0.244 1.00 1.14 C ATOM 221 CE1 TYR A 15 12.794 -2.470 -2.891 1.00 1.46 C ATOM 222 CE2 TYR A 15 13.061 -0.669 -1.277 1.00 1.20 C ATOM 223 CZ TYR A 15 12.851 -1.098 -2.599 1.00 1.33 C ATOM 224 OH TYR A 15 12.694 -0.189 -3.601 1.00 1.41 O ATOM 0 H TYR A 15 12.293 -6.411 1.836 1.00 1.14 H new ATOM 0 HA TYR A 15 11.426 -3.609 1.574 1.00 1.14 H new ATOM 0 HB2 TYR A 15 13.890 -3.582 1.376 1.00 1.16 H new ATOM 0 HB3 TYR A 15 13.821 -4.877 0.197 1.00 1.16 H new ATOM 0 HD1 TYR A 15 12.951 -4.470 -2.097 1.00 1.41 H new ATOM 0 HD2 TYR A 15 13.337 -1.283 0.774 1.00 1.14 H new ATOM 0 HE1 TYR A 15 12.621 -2.799 -3.905 1.00 1.46 H new ATOM 0 HE2 TYR A 15 13.119 0.386 -1.055 1.00 1.20 H new ATOM 0 HH TYR A 15 12.759 0.717 -3.234 1.00 1.41 H new ATOM 234 N PHE A 16 9.864 -4.632 -0.097 1.00 0.61 N ATOM 235 CA PHE A 16 8.950 -5.086 -1.135 1.00 0.57 C ATOM 236 C PHE A 16 8.186 -3.856 -1.621 1.00 0.52 C ATOM 237 O PHE A 16 7.515 -3.234 -0.798 1.00 0.42 O ATOM 238 CB PHE A 16 7.960 -6.114 -0.568 1.00 0.68 C ATOM 239 CG PHE A 16 8.597 -7.381 -0.033 1.00 0.73 C ATOM 240 CD1 PHE A 16 9.052 -7.428 1.297 1.00 0.81 C ATOM 241 CD2 PHE A 16 8.780 -8.496 -0.872 1.00 0.83 C ATOM 242 CE1 PHE A 16 9.680 -8.583 1.792 1.00 0.86 C ATOM 243 CE2 PHE A 16 9.399 -9.656 -0.374 1.00 0.93 C ATOM 244 CZ PHE A 16 9.845 -9.702 0.958 1.00 0.89 C ATOM 0 H PHE A 16 9.483 -3.875 0.471 1.00 0.61 H new ATOM 0 HA PHE A 16 9.500 -5.562 -1.947 1.00 0.57 H new ATOM 0 HB2 PHE A 16 7.389 -5.645 0.233 1.00 0.68 H new ATOM 0 HB3 PHE A 16 7.250 -6.383 -1.350 1.00 0.68 H new ATOM 0 HD1 PHE A 16 8.918 -6.572 1.941 1.00 0.81 H new ATOM 0 HD2 PHE A 16 8.445 -8.461 -1.898 1.00 0.83 H new ATOM 0 HE1 PHE A 16 10.035 -8.611 2.811 1.00 0.86 H new ATOM 0 HE2 PHE A 16 9.532 -10.514 -1.017 1.00 0.93 H new ATOM 0 HZ PHE A 16 10.314 -10.597 1.340 1.00 0.89 H new ATOM 254 N PRO A 17 8.277 -3.466 -2.901 1.00 0.74 N ATOM 255 CA PRO A 17 7.506 -2.348 -3.413 1.00 0.70 C ATOM 256 C PRO A 17 6.035 -2.761 -3.517 1.00 0.68 C ATOM 257 O PRO A 17 5.725 -3.856 -3.990 1.00 0.94 O ATOM 258 CB PRO A 17 8.118 -2.029 -4.778 1.00 0.91 C ATOM 259 CG PRO A 17 8.654 -3.381 -5.249 1.00 1.15 C ATOM 260 CD PRO A 17 9.079 -4.072 -3.952 1.00 1.07 C ATOM 0 HA PRO A 17 7.537 -1.468 -2.770 1.00 0.70 H new ATOM 0 HB2 PRO A 17 7.375 -1.628 -5.468 1.00 0.91 H new ATOM 0 HB3 PRO A 17 8.912 -1.287 -4.699 1.00 0.91 H new ATOM 0 HG2 PRO A 17 7.891 -3.953 -5.776 1.00 1.15 H new ATOM 0 HG3 PRO A 17 9.494 -3.263 -5.934 1.00 1.15 H new ATOM 0 HD2 PRO A 17 8.906 -5.147 -4.006 1.00 1.07 H new ATOM 0 HD3 PRO A 17 10.143 -3.930 -3.763 1.00 1.07 H new ATOM 268 N ARG A 18 5.126 -1.902 -3.057 1.00 0.48 N ATOM 269 CA ARG A 18 3.689 -2.068 -3.201 1.00 0.47 C ATOM 270 C ARG A 18 3.071 -0.705 -3.496 1.00 0.41 C ATOM 271 O ARG A 18 3.774 0.302 -3.511 1.00 0.37 O ATOM 272 CB ARG A 18 3.100 -2.680 -1.916 1.00 0.50 C ATOM 273 CG ARG A 18 3.465 -4.158 -1.708 1.00 0.59 C ATOM 274 CD ARG A 18 2.658 -5.011 -2.686 1.00 0.62 C ATOM 275 NE ARG A 18 3.055 -6.423 -2.691 1.00 1.25 N ATOM 276 CZ ARG A 18 3.706 -6.970 -3.730 1.00 1.59 C ATOM 277 NH1 ARG A 18 4.535 -6.224 -4.465 1.00 2.98 N ATOM 278 NH2 ARG A 18 3.478 -8.245 -4.048 1.00 2.35 N ATOM 0 H ARG A 18 5.381 -1.048 -2.560 1.00 0.48 H new ATOM 0 HA ARG A 18 3.465 -2.747 -4.024 1.00 0.47 H new ATOM 0 HB2 ARG A 18 3.449 -2.105 -1.058 1.00 0.50 H new ATOM 0 HB3 ARG A 18 2.015 -2.584 -1.944 1.00 0.50 H new ATOM 0 HG2 ARG A 18 4.532 -4.309 -1.869 1.00 0.59 H new ATOM 0 HG3 ARG A 18 3.252 -4.458 -0.682 1.00 0.59 H new ATOM 0 HD2 ARG A 18 1.600 -4.939 -2.432 1.00 0.62 H new ATOM 0 HD3 ARG A 18 2.773 -4.605 -3.691 1.00 0.62 H new ATOM 0 HE ARG A 18 2.831 -7.005 -1.884 1.00 1.25 H new ATOM 0 HH11 ARG A 18 4.673 -5.240 -4.237 1.00 2.98 H new ATOM 0 HH12 ARG A 18 5.030 -6.639 -5.255 1.00 2.98 H new ATOM 0 HH21 ARG A 18 2.814 -8.796 -3.504 1.00 2.35 H new ATOM 0 HH22 ARG A 18 3.968 -8.670 -4.836 1.00 2.35 H new ATOM 292 N PHE A 19 1.761 -0.680 -3.735 1.00 0.43 N ATOM 293 CA PHE A 19 0.960 0.504 -3.978 1.00 0.37 C ATOM 294 C PHE A 19 -0.182 0.498 -2.982 1.00 0.43 C ATOM 295 O PHE A 19 -0.786 -0.551 -2.765 1.00 0.61 O ATOM 296 CB PHE A 19 0.395 0.485 -5.399 1.00 0.30 C ATOM 297 CG PHE A 19 1.377 0.938 -6.457 1.00 0.26 C ATOM 298 CD1 PHE A 19 2.360 0.048 -6.924 1.00 0.35 C ATOM 299 CD2 PHE A 19 1.298 2.238 -6.991 1.00 0.31 C ATOM 300 CE1 PHE A 19 3.233 0.439 -7.952 1.00 0.43 C ATOM 301 CE2 PHE A 19 2.177 2.632 -8.015 1.00 0.40 C ATOM 302 CZ PHE A 19 3.137 1.729 -8.503 1.00 0.45 C ATOM 0 H PHE A 19 1.206 -1.535 -3.765 1.00 0.43 H new ATOM 0 HA PHE A 19 1.573 1.398 -3.866 1.00 0.37 H new ATOM 0 HB2 PHE A 19 0.064 -0.527 -5.634 1.00 0.30 H new ATOM 0 HB3 PHE A 19 -0.486 1.126 -5.437 1.00 0.30 H new ATOM 0 HD1 PHE A 19 2.444 -0.938 -6.491 1.00 0.35 H new ATOM 0 HD2 PHE A 19 0.562 2.933 -6.614 1.00 0.31 H new ATOM 0 HE1 PHE A 19 3.978 -0.251 -8.319 1.00 0.43 H new ATOM 0 HE2 PHE A 19 2.115 3.629 -8.427 1.00 0.40 H new ATOM 0 HZ PHE A 19 3.801 2.026 -9.301 1.00 0.45 H new ATOM 312 N TYR A 20 -0.477 1.655 -2.394 1.00 0.38 N ATOM 313 CA TYR A 20 -1.651 1.851 -1.566 1.00 0.40 C ATOM 314 C TYR A 20 -2.493 2.930 -2.223 1.00 0.35 C ATOM 315 O TYR A 20 -1.962 3.807 -2.909 1.00 0.36 O ATOM 316 CB TYR A 20 -1.273 2.209 -0.119 1.00 0.51 C ATOM 317 CG TYR A 20 -0.711 3.598 0.139 1.00 0.54 C ATOM 318 CD1 TYR A 20 0.558 3.956 -0.353 1.00 0.60 C ATOM 319 CD2 TYR A 20 -1.382 4.469 1.018 1.00 0.60 C ATOM 320 CE1 TYR A 20 1.142 5.181 0.009 1.00 0.74 C ATOM 321 CE2 TYR A 20 -0.778 5.675 1.415 1.00 0.70 C ATOM 322 CZ TYR A 20 0.465 6.050 0.878 1.00 0.78 C ATOM 323 OH TYR A 20 1.046 7.223 1.249 1.00 0.92 O ATOM 0 H TYR A 20 0.103 2.489 -2.484 1.00 0.38 H new ATOM 0 HA TYR A 20 -2.224 0.926 -1.494 1.00 0.40 H new ATOM 0 HB2 TYR A 20 -2.161 2.086 0.501 1.00 0.51 H new ATOM 0 HB3 TYR A 20 -0.540 1.480 0.227 1.00 0.51 H new ATOM 0 HD1 TYR A 20 1.086 3.284 -1.013 1.00 0.60 H new ATOM 0 HD2 TYR A 20 -2.363 4.210 1.388 1.00 0.60 H new ATOM 0 HE1 TYR A 20 2.111 5.454 -0.381 1.00 0.74 H new ATOM 0 HE2 TYR A 20 -1.270 6.314 2.133 1.00 0.70 H new ATOM 0 HH TYR A 20 0.364 7.925 1.298 1.00 0.92 H new ATOM 333 N PHE A 21 -3.806 2.861 -2.017 1.00 0.35 N ATOM 334 CA PHE A 21 -4.665 4.001 -2.242 1.00 0.35 C ATOM 335 C PHE A 21 -4.342 4.973 -1.116 1.00 0.40 C ATOM 336 O PHE A 21 -4.794 4.790 0.012 1.00 0.50 O ATOM 337 CB PHE A 21 -6.132 3.558 -2.246 1.00 0.40 C ATOM 338 CG PHE A 21 -7.126 4.626 -2.673 1.00 0.56 C ATOM 339 CD1 PHE A 21 -7.417 5.695 -1.805 1.00 0.73 C ATOM 340 CD2 PHE A 21 -7.913 4.438 -3.827 1.00 1.25 C ATOM 341 CE1 PHE A 21 -8.453 6.593 -2.104 1.00 0.85 C ATOM 342 CE2 PHE A 21 -8.980 5.314 -4.101 1.00 1.65 C ATOM 343 CZ PHE A 21 -9.215 6.421 -3.267 1.00 1.22 C ATOM 0 H PHE A 21 -4.290 2.023 -1.694 1.00 0.35 H new ATOM 0 HA PHE A 21 -4.502 4.477 -3.209 1.00 0.35 H new ATOM 0 HB2 PHE A 21 -6.235 2.701 -2.911 1.00 0.40 H new ATOM 0 HB3 PHE A 21 -6.396 3.218 -1.245 1.00 0.40 H new ATOM 0 HD1 PHE A 21 -6.839 5.825 -0.902 1.00 0.73 H new ATOM 0 HD2 PHE A 21 -7.697 3.622 -4.501 1.00 1.25 H new ATOM 0 HE1 PHE A 21 -8.663 7.417 -1.438 1.00 0.85 H new ATOM 0 HE2 PHE A 21 -9.619 5.135 -4.953 1.00 1.65 H new ATOM 0 HZ PHE A 21 -9.982 7.138 -3.522 1.00 1.22 H new ATOM 353 N ASP A 22 -3.534 5.984 -1.407 1.00 0.39 N ATOM 354 CA ASP A 22 -3.302 7.064 -0.478 1.00 0.50 C ATOM 355 C ASP A 22 -4.572 7.901 -0.449 1.00 0.49 C ATOM 356 O ASP A 22 -4.872 8.626 -1.396 1.00 0.44 O ATOM 357 CB ASP A 22 -2.084 7.881 -0.905 1.00 0.59 C ATOM 358 CG ASP A 22 -1.868 9.008 0.083 1.00 0.79 C ATOM 359 OD1 ASP A 22 -2.682 9.956 0.022 1.00 1.79 O ATOM 360 OD2 ASP A 22 -0.924 8.887 0.892 1.00 2.06 O ATOM 0 H ASP A 22 -3.028 6.072 -2.288 1.00 0.39 H new ATOM 0 HA ASP A 22 -3.083 6.691 0.523 1.00 0.50 H new ATOM 0 HB2 ASP A 22 -1.201 7.244 -0.947 1.00 0.59 H new ATOM 0 HB3 ASP A 22 -2.234 8.284 -1.907 1.00 0.59 H new ATOM 365 N SER A 23 -5.354 7.749 0.619 1.00 0.73 N ATOM 366 CA SER A 23 -6.640 8.411 0.754 1.00 0.86 C ATOM 367 C SER A 23 -6.510 9.847 1.260 1.00 1.05 C ATOM 368 O SER A 23 -7.536 10.505 1.422 1.00 1.29 O ATOM 369 CB SER A 23 -7.549 7.588 1.673 1.00 1.08 C ATOM 370 OG SER A 23 -8.874 8.082 1.612 1.00 1.24 O ATOM 0 H SER A 23 -5.108 7.160 1.415 1.00 0.73 H new ATOM 0 HA SER A 23 -7.087 8.474 -0.238 1.00 0.86 H new ATOM 0 HB2 SER A 23 -7.529 6.540 1.374 1.00 1.08 H new ATOM 0 HB3 SER A 23 -7.182 7.635 2.698 1.00 1.08 H new ATOM 0 HG SER A 23 -8.855 9.051 1.466 1.00 1.24 H new ATOM 376 N GLU A 24 -5.292 10.327 1.518 1.00 1.06 N ATOM 377 CA GLU A 24 -5.052 11.693 1.928 1.00 1.31 C ATOM 378 C GLU A 24 -5.039 12.545 0.656 1.00 1.18 C ATOM 379 O GLU A 24 -5.720 13.563 0.560 1.00 1.38 O ATOM 380 CB GLU A 24 -3.721 11.715 2.689 1.00 1.50 C ATOM 381 CG GLU A 24 -3.884 11.049 4.065 1.00 1.91 C ATOM 382 CD GLU A 24 -2.551 10.875 4.785 1.00 2.76 C ATOM 383 OE1 GLU A 24 -1.830 11.890 4.893 1.00 3.70 O ATOM 384 OE2 GLU A 24 -2.286 9.734 5.225 1.00 3.49 O ATOM 0 H GLU A 24 -4.444 9.766 1.445 1.00 1.06 H new ATOM 0 HA GLU A 24 -5.816 12.095 2.593 1.00 1.31 H new ATOM 0 HB2 GLU A 24 -2.956 11.194 2.113 1.00 1.50 H new ATOM 0 HB3 GLU A 24 -3.382 12.743 2.813 1.00 1.50 H new ATOM 0 HG2 GLU A 24 -4.551 11.652 4.681 1.00 1.91 H new ATOM 0 HG3 GLU A 24 -4.357 10.075 3.941 1.00 1.91 H new ATOM 391 N THR A 25 -4.301 12.077 -0.349 1.00 0.90 N ATOM 392 CA THR A 25 -4.296 12.623 -1.698 1.00 0.80 C ATOM 393 C THR A 25 -5.511 12.136 -2.497 1.00 0.73 C ATOM 394 O THR A 25 -5.957 12.816 -3.421 1.00 0.80 O ATOM 395 CB THR A 25 -3.001 12.209 -2.406 1.00 0.78 C ATOM 396 OG1 THR A 25 -2.921 10.804 -2.496 1.00 0.77 O ATOM 397 CG2 THR A 25 -1.754 12.747 -1.698 1.00 0.96 C ATOM 0 H THR A 25 -3.671 11.282 -0.240 1.00 0.90 H new ATOM 0 HA THR A 25 -4.351 13.710 -1.635 1.00 0.80 H new ATOM 0 HB THR A 25 -3.031 12.644 -3.405 1.00 0.78 H new ATOM 0 HG1 THR A 25 -3.086 10.410 -1.614 1.00 0.77 H new ATOM 0 HG21 THR A 25 -0.863 12.427 -2.238 1.00 0.96 H new ATOM 0 HG22 THR A 25 -1.791 13.836 -1.673 1.00 0.96 H new ATOM 0 HG23 THR A 25 -1.719 12.362 -0.679 1.00 0.96 H new ATOM 405 N GLY A 26 -6.002 10.931 -2.192 1.00 0.68 N ATOM 406 CA GLY A 26 -7.038 10.241 -2.945 1.00 0.65 C ATOM 407 C GLY A 26 -6.462 9.560 -4.187 1.00 0.57 C ATOM 408 O GLY A 26 -7.167 9.406 -5.188 1.00 0.80 O ATOM 0 H GLY A 26 -5.675 10.397 -1.387 1.00 0.68 H new ATOM 0 HA2 GLY A 26 -7.518 9.497 -2.309 1.00 0.65 H new ATOM 0 HA3 GLY A 26 -7.809 10.952 -3.242 1.00 0.65 H new ATOM 412 N LYS A 27 -5.197 9.131 -4.159 1.00 0.44 N ATOM 413 CA LYS A 27 -4.459 8.659 -5.330 1.00 0.44 C ATOM 414 C LYS A 27 -3.822 7.301 -5.038 1.00 0.34 C ATOM 415 O LYS A 27 -3.429 7.035 -3.910 1.00 0.48 O ATOM 416 CB LYS A 27 -3.383 9.687 -5.706 1.00 0.68 C ATOM 417 CG LYS A 27 -3.998 11.065 -5.988 1.00 1.34 C ATOM 418 CD LYS A 27 -2.917 12.077 -6.384 1.00 1.89 C ATOM 419 CE LYS A 27 -3.541 13.478 -6.490 1.00 3.11 C ATOM 420 NZ LYS A 27 -2.536 14.517 -6.794 1.00 4.55 N ATOM 0 H LYS A 27 -4.647 9.102 -3.301 1.00 0.44 H new ATOM 0 HA LYS A 27 -5.147 8.543 -6.168 1.00 0.44 H new ATOM 0 HB2 LYS A 27 -2.658 9.769 -4.896 1.00 0.68 H new ATOM 0 HB3 LYS A 27 -2.840 9.342 -6.586 1.00 0.68 H new ATOM 0 HG2 LYS A 27 -4.734 10.982 -6.787 1.00 1.34 H new ATOM 0 HG3 LYS A 27 -4.527 11.419 -5.103 1.00 1.34 H new ATOM 0 HD2 LYS A 27 -2.117 12.079 -5.644 1.00 1.89 H new ATOM 0 HD3 LYS A 27 -2.470 11.793 -7.337 1.00 1.89 H new ATOM 0 HE2 LYS A 27 -4.305 13.475 -7.268 1.00 3.11 H new ATOM 0 HE3 LYS A 27 -4.041 13.722 -5.553 1.00 3.11 H new ATOM 0 HZ1 LYS A 27 -3.003 15.444 -6.856 1.00 4.55 H new ATOM 0 HZ2 LYS A 27 -1.821 14.539 -6.039 1.00 4.55 H new ATOM 0 HZ3 LYS A 27 -2.076 14.300 -7.701 1.00 4.55 H new ATOM 434 N CYS A 28 -3.700 6.430 -6.044 1.00 0.30 N ATOM 435 CA CYS A 28 -2.854 5.254 -5.905 1.00 0.32 C ATOM 436 C CYS A 28 -1.412 5.739 -5.880 1.00 0.45 C ATOM 437 O CYS A 28 -1.056 6.642 -6.637 1.00 0.74 O ATOM 438 CB CYS A 28 -3.105 4.264 -7.042 1.00 0.35 C ATOM 439 SG CYS A 28 -4.662 3.363 -6.865 1.00 0.35 S ATOM 0 H CYS A 28 -4.169 6.518 -6.945 1.00 0.30 H new ATOM 0 HA CYS A 28 -3.080 4.718 -4.983 1.00 0.32 H new ATOM 0 HB2 CYS A 28 -3.109 4.802 -7.990 1.00 0.35 H new ATOM 0 HB3 CYS A 28 -2.282 3.551 -7.083 1.00 0.35 H new ATOM 444 N THR A 29 -0.594 5.224 -4.966 1.00 0.36 N ATOM 445 CA THR A 29 0.733 5.763 -4.703 1.00 0.40 C ATOM 446 C THR A 29 1.617 4.621 -4.195 1.00 0.40 C ATOM 447 O THR A 29 1.122 3.773 -3.452 1.00 0.42 O ATOM 448 CB THR A 29 0.573 6.914 -3.693 1.00 0.44 C ATOM 449 OG1 THR A 29 -0.068 8.004 -4.332 1.00 0.55 O ATOM 450 CG2 THR A 29 1.880 7.444 -3.102 1.00 0.53 C ATOM 0 H THR A 29 -0.835 4.420 -4.387 1.00 0.36 H new ATOM 0 HA THR A 29 1.215 6.169 -5.592 1.00 0.40 H new ATOM 0 HB THR A 29 -0.005 6.493 -2.870 1.00 0.44 H new ATOM 0 HG1 THR A 29 -0.175 8.740 -3.694 1.00 0.55 H new ATOM 0 HG21 THR A 29 1.662 8.252 -2.403 1.00 0.53 H new ATOM 0 HG22 THR A 29 2.395 6.639 -2.577 1.00 0.53 H new ATOM 0 HG23 THR A 29 2.516 7.820 -3.904 1.00 0.53 H new ATOM 458 N PRO A 30 2.888 4.544 -4.627 1.00 0.36 N ATOM 459 CA PRO A 30 3.791 3.477 -4.232 1.00 0.35 C ATOM 460 C PRO A 30 4.205 3.620 -2.764 1.00 0.39 C ATOM 461 O PRO A 30 4.139 4.708 -2.192 1.00 0.50 O ATOM 462 CB PRO A 30 4.993 3.583 -5.173 1.00 0.38 C ATOM 463 CG PRO A 30 5.030 5.072 -5.514 1.00 0.41 C ATOM 464 CD PRO A 30 3.548 5.436 -5.569 1.00 0.39 C ATOM 0 HA PRO A 30 3.317 2.498 -4.310 1.00 0.35 H new ATOM 0 HB2 PRO A 30 5.914 3.256 -4.690 1.00 0.38 H new ATOM 0 HB3 PRO A 30 4.864 2.968 -6.064 1.00 0.38 H new ATOM 0 HG2 PRO A 30 5.562 5.648 -4.757 1.00 0.41 H new ATOM 0 HG3 PRO A 30 5.529 5.258 -6.465 1.00 0.41 H new ATOM 0 HD2 PRO A 30 3.391 6.479 -5.296 1.00 0.39 H new ATOM 0 HD3 PRO A 30 3.150 5.306 -6.575 1.00 0.39 H new ATOM 472 N PHE A 31 4.661 2.524 -2.156 1.00 0.36 N ATOM 473 CA PHE A 31 5.257 2.494 -0.832 1.00 0.42 C ATOM 474 C PHE A 31 6.109 1.231 -0.722 1.00 0.42 C ATOM 475 O PHE A 31 5.961 0.313 -1.528 1.00 0.41 O ATOM 476 CB PHE A 31 4.170 2.547 0.254 1.00 0.46 C ATOM 477 CG PHE A 31 3.417 1.248 0.500 1.00 0.46 C ATOM 478 CD1 PHE A 31 2.430 0.825 -0.408 1.00 0.43 C ATOM 479 CD2 PHE A 31 3.625 0.514 1.685 1.00 0.62 C ATOM 480 CE1 PHE A 31 1.587 -0.251 -0.081 1.00 0.54 C ATOM 481 CE2 PHE A 31 2.754 -0.534 2.026 1.00 0.68 C ATOM 482 CZ PHE A 31 1.731 -0.913 1.147 1.00 0.65 C ATOM 0 H PHE A 31 4.621 1.603 -2.593 1.00 0.36 H new ATOM 0 HA PHE A 31 5.891 3.368 -0.681 1.00 0.42 H new ATOM 0 HB2 PHE A 31 4.633 2.860 1.190 1.00 0.46 H new ATOM 0 HB3 PHE A 31 3.449 3.318 -0.018 1.00 0.46 H new ATOM 0 HD1 PHE A 31 2.320 1.327 -1.358 1.00 0.43 H new ATOM 0 HD2 PHE A 31 4.455 0.758 2.332 1.00 0.62 H new ATOM 0 HE1 PHE A 31 0.826 -0.569 -0.778 1.00 0.54 H new ATOM 0 HE2 PHE A 31 2.873 -1.049 2.968 1.00 0.68 H new ATOM 0 HZ PHE A 31 1.056 -1.712 1.414 1.00 0.65 H new ATOM 492 N ILE A 32 7.000 1.177 0.270 1.00 0.48 N ATOM 493 CA ILE A 32 7.727 -0.039 0.599 1.00 0.53 C ATOM 494 C ILE A 32 6.922 -0.746 1.687 1.00 0.52 C ATOM 495 O ILE A 32 6.763 -0.211 2.780 1.00 0.52 O ATOM 496 CB ILE A 32 9.164 0.287 1.042 1.00 0.62 C ATOM 497 CG1 ILE A 32 9.916 1.137 -0.001 1.00 0.68 C ATOM 498 CG2 ILE A 32 9.946 -1.001 1.345 1.00 0.86 C ATOM 499 CD1 ILE A 32 9.877 0.574 -1.427 1.00 1.27 C ATOM 0 H ILE A 32 7.233 1.974 0.862 1.00 0.48 H new ATOM 0 HA ILE A 32 7.831 -0.693 -0.267 1.00 0.53 H new ATOM 0 HB ILE A 32 9.089 0.879 1.954 1.00 0.62 H new ATOM 0 HG12 ILE A 32 9.491 2.141 -0.008 1.00 0.68 H new ATOM 0 HG13 ILE A 32 10.956 1.234 0.310 1.00 0.68 H new ATOM 0 HG21 ILE A 32 10.959 -0.747 1.656 1.00 0.86 H new ATOM 0 HG22 ILE A 32 9.448 -1.550 2.144 1.00 0.86 H new ATOM 0 HG23 ILE A 32 9.986 -1.621 0.450 1.00 0.86 H new ATOM 0 HD11 ILE A 32 10.430 1.235 -2.094 1.00 1.27 H new ATOM 0 HD12 ILE A 32 10.331 -0.417 -1.439 1.00 1.27 H new ATOM 0 HD13 ILE A 32 8.842 0.504 -1.762 1.00 1.27 H new ATOM 511 N TYR A 33 6.396 -1.932 1.383 1.00 0.55 N ATOM 512 CA TYR A 33 5.581 -2.716 2.301 1.00 0.61 C ATOM 513 C TYR A 33 6.425 -3.341 3.413 1.00 0.87 C ATOM 514 O TYR A 33 5.889 -3.746 4.438 1.00 2.61 O ATOM 515 CB TYR A 33 4.776 -3.743 1.490 1.00 0.58 C ATOM 516 CG TYR A 33 4.218 -4.929 2.258 1.00 0.64 C ATOM 517 CD1 TYR A 33 3.351 -4.728 3.349 1.00 0.89 C ATOM 518 CD2 TYR A 33 4.634 -6.235 1.933 1.00 0.70 C ATOM 519 CE1 TYR A 33 2.960 -5.820 4.143 1.00 0.99 C ATOM 520 CE2 TYR A 33 4.235 -7.323 2.727 1.00 0.94 C ATOM 521 CZ TYR A 33 3.417 -7.111 3.847 1.00 0.97 C ATOM 522 OH TYR A 33 3.139 -8.131 4.706 1.00 1.29 O ATOM 0 H TYR A 33 6.528 -2.380 0.476 1.00 0.55 H new ATOM 0 HA TYR A 33 4.874 -2.068 2.820 1.00 0.61 H new ATOM 0 HB2 TYR A 33 3.945 -3.224 1.013 1.00 0.58 H new ATOM 0 HB3 TYR A 33 5.414 -4.123 0.692 1.00 0.58 H new ATOM 0 HD1 TYR A 33 2.987 -3.737 3.575 1.00 0.89 H new ATOM 0 HD2 TYR A 33 5.262 -6.400 1.070 1.00 0.70 H new ATOM 0 HE1 TYR A 33 2.304 -5.663 4.986 1.00 0.99 H new ATOM 0 HE2 TYR A 33 4.558 -8.322 2.475 1.00 0.94 H new ATOM 0 HH TYR A 33 3.921 -8.717 4.782 1.00 1.29 H new ATOM 532 N GLY A 34 7.741 -3.456 3.227 1.00 1.06 N ATOM 533 CA GLY A 34 8.651 -3.913 4.269 1.00 0.98 C ATOM 534 C GLY A 34 8.652 -5.435 4.363 1.00 0.96 C ATOM 535 O GLY A 34 9.711 -6.054 4.396 1.00 1.58 O ATOM 0 H GLY A 34 8.203 -3.233 2.346 1.00 1.06 H new ATOM 0 HA2 GLY A 34 9.659 -3.557 4.058 1.00 0.98 H new ATOM 0 HA3 GLY A 34 8.356 -3.486 5.228 1.00 0.98 H new ATOM 539 N GLY A 35 7.468 -6.049 4.354 1.00 0.73 N ATOM 540 CA GLY A 35 7.299 -7.496 4.335 1.00 0.85 C ATOM 541 C GLY A 35 6.233 -7.956 5.323 1.00 0.87 C ATOM 542 O GLY A 35 5.645 -9.021 5.142 1.00 1.28 O ATOM 0 H GLY A 35 6.584 -5.541 4.360 1.00 0.73 H new ATOM 0 HA2 GLY A 35 7.025 -7.816 3.330 1.00 0.85 H new ATOM 0 HA3 GLY A 35 8.248 -7.976 4.575 1.00 0.85 H new ATOM 546 N CYS A 36 5.979 -7.161 6.364 1.00 0.96 N ATOM 547 CA CYS A 36 5.119 -7.517 7.485 1.00 1.10 C ATOM 548 C CYS A 36 4.377 -6.276 7.969 1.00 1.44 C ATOM 549 O CYS A 36 4.618 -5.189 7.456 1.00 2.14 O ATOM 550 CB CYS A 36 5.996 -8.123 8.587 1.00 1.43 C ATOM 551 SG CYS A 36 6.621 -6.949 9.818 1.00 2.20 S ATOM 0 H CYS A 36 6.379 -6.227 6.449 1.00 0.96 H new ATOM 0 HA CYS A 36 4.370 -8.252 7.189 1.00 1.10 H new ATOM 0 HB2 CYS A 36 5.422 -8.893 9.103 1.00 1.43 H new ATOM 0 HB3 CYS A 36 6.846 -8.620 8.119 1.00 1.43 H new ATOM 556 N GLY A 37 3.486 -6.441 8.954 1.00 1.38 N ATOM 557 CA GLY A 37 2.809 -5.361 9.669 1.00 1.86 C ATOM 558 C GLY A 37 2.343 -4.210 8.774 1.00 2.18 C ATOM 559 O GLY A 37 2.517 -3.041 9.122 1.00 3.40 O ATOM 0 H GLY A 37 3.209 -7.365 9.284 1.00 1.38 H new ATOM 0 HA2 GLY A 37 1.945 -5.772 10.192 1.00 1.86 H new ATOM 0 HA3 GLY A 37 3.483 -4.965 10.429 1.00 1.86 H new ATOM 563 N GLY A 38 1.741 -4.550 7.632 1.00 1.56 N ATOM 564 CA GLY A 38 1.183 -3.579 6.710 1.00 2.03 C ATOM 565 C GLY A 38 -0.305 -3.401 6.993 1.00 1.74 C ATOM 566 O GLY A 38 -0.729 -3.300 8.142 1.00 2.01 O ATOM 0 H GLY A 38 1.630 -5.517 7.326 1.00 1.56 H new ATOM 0 HA2 GLY A 38 1.700 -2.625 6.814 1.00 2.03 H new ATOM 0 HA3 GLY A 38 1.331 -3.911 5.682 1.00 2.03 H new ATOM 570 N ASN A 39 -1.099 -3.417 5.926 1.00 1.33 N ATOM 571 CA ASN A 39 -2.549 -3.539 5.932 1.00 0.95 C ATOM 572 C ASN A 39 -2.951 -4.179 4.599 1.00 0.77 C ATOM 573 O ASN A 39 -2.082 -4.667 3.871 1.00 0.97 O ATOM 574 CB ASN A 39 -3.199 -2.167 6.172 1.00 0.95 C ATOM 575 CG ASN A 39 -2.786 -1.122 5.138 1.00 1.00 C ATOM 576 OD1 ASN A 39 -2.603 -1.434 3.968 1.00 1.39 O ATOM 577 ND2 ASN A 39 -2.636 0.125 5.569 1.00 0.96 N ATOM 0 H ASN A 39 -0.723 -3.341 4.981 1.00 1.33 H new ATOM 0 HA ASN A 39 -2.902 -4.172 6.746 1.00 0.95 H new ATOM 0 HB2 ASN A 39 -4.283 -2.277 6.156 1.00 0.95 H new ATOM 0 HB3 ASN A 39 -2.929 -1.812 7.167 1.00 0.95 H new ATOM 0 HD21 ASN A 39 -2.360 0.860 4.918 1.00 0.96 H new ATOM 0 HD22 ASN A 39 -2.797 0.348 6.551 1.00 0.96 H new ATOM 584 N GLY A 40 -4.250 -4.174 4.282 1.00 0.68 N ATOM 585 CA GLY A 40 -4.786 -4.708 3.034 1.00 0.84 C ATOM 586 C GLY A 40 -4.814 -3.675 1.903 1.00 0.53 C ATOM 587 O GLY A 40 -5.021 -4.038 0.748 1.00 0.58 O ATOM 0 H GLY A 40 -4.967 -3.792 4.898 1.00 0.68 H new ATOM 0 HA2 GLY A 40 -4.185 -5.562 2.723 1.00 0.84 H new ATOM 0 HA3 GLY A 40 -5.797 -5.076 3.207 1.00 0.84 H new ATOM 591 N ASN A 41 -4.602 -2.390 2.207 1.00 0.50 N ATOM 592 CA ASN A 41 -4.531 -1.327 1.208 1.00 0.62 C ATOM 593 C ASN A 41 -3.144 -1.373 0.571 1.00 0.77 C ATOM 594 O ASN A 41 -2.317 -0.493 0.788 1.00 0.93 O ATOM 595 CB ASN A 41 -4.801 0.018 1.890 1.00 0.64 C ATOM 596 CG ASN A 41 -4.960 1.165 0.895 1.00 0.93 C ATOM 597 OD1 ASN A 41 -5.018 0.964 -0.315 1.00 1.90 O ATOM 598 ND2 ASN A 41 -5.048 2.388 1.394 1.00 0.61 N ATOM 0 H ASN A 41 -4.474 -2.059 3.163 1.00 0.50 H new ATOM 0 HA ASN A 41 -5.280 -1.459 0.427 1.00 0.62 H new ATOM 0 HB2 ASN A 41 -5.705 -0.061 2.494 1.00 0.64 H new ATOM 0 HB3 ASN A 41 -3.981 0.245 2.572 1.00 0.64 H new ATOM 0 HD21 ASN A 41 -5.166 3.186 0.770 1.00 0.61 H new ATOM 0 HD22 ASN A 41 -4.997 2.532 2.402 1.00 0.61 H new ATOM 605 N ASN A 42 -2.855 -2.480 -0.110 1.00 0.72 N ATOM 606 CA ASN A 42 -1.506 -3.016 -0.165 1.00 0.61 C ATOM 607 C ASN A 42 -1.390 -3.930 -1.376 1.00 0.55 C ATOM 608 O ASN A 42 -1.659 -5.127 -1.290 1.00 0.75 O ATOM 609 CB ASN A 42 -1.275 -3.768 1.146 1.00 0.75 C ATOM 610 CG ASN A 42 0.066 -4.477 1.229 1.00 0.88 C ATOM 611 OD1 ASN A 42 0.947 -4.292 0.396 1.00 1.80 O ATOM 612 ND2 ASN A 42 0.230 -5.282 2.272 1.00 1.92 N ATOM 0 H ASN A 42 -3.544 -3.022 -0.632 1.00 0.72 H new ATOM 0 HA ASN A 42 -0.751 -2.237 -0.272 1.00 0.61 H new ATOM 0 HB2 ASN A 42 -1.353 -3.064 1.974 1.00 0.75 H new ATOM 0 HB3 ASN A 42 -2.070 -4.502 1.276 1.00 0.75 H new ATOM 0 HD21 ASN A 42 1.114 -5.774 2.403 1.00 1.92 H new ATOM 0 HD22 ASN A 42 -0.528 -5.409 2.943 1.00 1.92 H new ATOM 619 N PHE A 43 -1.045 -3.338 -2.516 1.00 0.42 N ATOM 620 CA PHE A 43 -1.286 -3.911 -3.827 1.00 0.42 C ATOM 621 C PHE A 43 0.006 -3.965 -4.631 1.00 0.38 C ATOM 622 O PHE A 43 0.884 -3.133 -4.440 1.00 0.36 O ATOM 623 CB PHE A 43 -2.321 -3.019 -4.509 1.00 0.44 C ATOM 624 CG PHE A 43 -3.613 -2.877 -3.717 1.00 0.45 C ATOM 625 CD1 PHE A 43 -4.345 -4.022 -3.346 1.00 0.56 C ATOM 626 CD2 PHE A 43 -3.987 -1.624 -3.194 1.00 0.44 C ATOM 627 CE1 PHE A 43 -5.471 -3.900 -2.513 1.00 0.62 C ATOM 628 CE2 PHE A 43 -5.189 -1.489 -2.481 1.00 0.48 C ATOM 629 CZ PHE A 43 -5.924 -2.629 -2.123 1.00 0.53 C ATOM 0 H PHE A 43 -0.582 -2.430 -2.550 1.00 0.42 H new ATOM 0 HA PHE A 43 -1.652 -4.935 -3.750 1.00 0.42 H new ATOM 0 HB2 PHE A 43 -1.890 -2.030 -4.667 1.00 0.44 H new ATOM 0 HB3 PHE A 43 -2.550 -3.428 -5.493 1.00 0.44 H new ATOM 0 HD1 PHE A 43 -4.041 -4.995 -3.702 1.00 0.56 H new ATOM 0 HD2 PHE A 43 -3.348 -0.766 -3.342 1.00 0.44 H new ATOM 0 HE1 PHE A 43 -5.988 -4.785 -2.173 1.00 0.62 H new ATOM 0 HE2 PHE A 43 -5.548 -0.508 -2.208 1.00 0.48 H new ATOM 0 HZ PHE A 43 -6.834 -2.530 -1.550 1.00 0.53 H new ATOM 639 N GLU A 44 0.135 -4.933 -5.537 1.00 0.44 N ATOM 640 CA GLU A 44 1.313 -5.097 -6.373 1.00 0.44 C ATOM 641 C GLU A 44 1.516 -3.848 -7.241 1.00 0.37 C ATOM 642 O GLU A 44 2.639 -3.373 -7.392 1.00 0.43 O ATOM 643 CB GLU A 44 1.141 -6.386 -7.193 1.00 0.61 C ATOM 644 CG GLU A 44 2.362 -6.788 -8.039 1.00 1.04 C ATOM 645 CD GLU A 44 3.469 -7.399 -7.197 1.00 1.44 C ATOM 646 OE1 GLU A 44 3.236 -8.485 -6.625 1.00 1.95 O ATOM 647 OE2 GLU A 44 4.517 -6.741 -7.028 1.00 2.67 O ATOM 0 H GLU A 44 -0.587 -5.632 -5.710 1.00 0.44 H new ATOM 0 HA GLU A 44 2.217 -5.198 -5.773 1.00 0.44 H new ATOM 0 HB2 GLU A 44 0.905 -7.203 -6.511 1.00 0.61 H new ATOM 0 HB3 GLU A 44 0.283 -6.266 -7.855 1.00 0.61 H new ATOM 0 HG2 GLU A 44 2.053 -7.502 -8.803 1.00 1.04 H new ATOM 0 HG3 GLU A 44 2.746 -5.910 -8.559 1.00 1.04 H new ATOM 654 N THR A 45 0.430 -3.314 -7.814 1.00 0.37 N ATOM 655 CA THR A 45 0.493 -2.262 -8.822 1.00 0.37 C ATOM 656 C THR A 45 -0.530 -1.152 -8.561 1.00 0.32 C ATOM 657 O THR A 45 -1.560 -1.377 -7.919 1.00 0.31 O ATOM 658 CB THR A 45 0.233 -2.884 -10.202 1.00 0.50 C ATOM 659 OG1 THR A 45 -1.058 -3.458 -10.231 1.00 0.59 O ATOM 660 CG2 THR A 45 1.261 -3.960 -10.559 1.00 0.54 C ATOM 0 H THR A 45 -0.521 -3.605 -7.586 1.00 0.37 H new ATOM 0 HA THR A 45 1.484 -1.810 -8.780 1.00 0.37 H new ATOM 0 HB THR A 45 0.316 -2.082 -10.936 1.00 0.50 H new ATOM 0 HG1 THR A 45 -1.162 -3.988 -11.049 1.00 0.59 H new ATOM 0 HG21 THR A 45 1.033 -4.368 -11.544 1.00 0.54 H new ATOM 0 HG22 THR A 45 2.259 -3.521 -10.570 1.00 0.54 H new ATOM 0 HG23 THR A 45 1.225 -4.758 -9.818 1.00 0.54 H new ATOM 668 N LEU A 46 -0.281 0.029 -9.143 1.00 0.34 N ATOM 669 CA LEU A 46 -1.297 1.056 -9.358 1.00 0.35 C ATOM 670 C LEU A 46 -2.511 0.452 -10.046 1.00 0.42 C ATOM 671 O LEU A 46 -3.631 0.690 -9.614 1.00 0.43 O ATOM 672 CB LEU A 46 -0.706 2.249 -10.140 1.00 0.44 C ATOM 673 CG LEU A 46 -1.607 2.939 -11.188 1.00 0.55 C ATOM 674 CD1 LEU A 46 -2.721 3.776 -10.554 1.00 0.53 C ATOM 675 CD2 LEU A 46 -0.753 3.867 -12.058 1.00 0.72 C ATOM 0 H LEU A 46 0.644 0.296 -9.480 1.00 0.34 H new ATOM 0 HA LEU A 46 -1.629 1.445 -8.395 1.00 0.35 H new ATOM 0 HB2 LEU A 46 -0.395 3.003 -9.417 1.00 0.44 H new ATOM 0 HB3 LEU A 46 0.195 1.904 -10.648 1.00 0.44 H new ATOM 0 HG LEU A 46 -2.070 2.147 -11.777 1.00 0.55 H new ATOM 0 HD11 LEU A 46 -3.321 4.237 -11.339 1.00 0.53 H new ATOM 0 HD12 LEU A 46 -3.355 3.134 -9.942 1.00 0.53 H new ATOM 0 HD13 LEU A 46 -2.281 4.554 -9.930 1.00 0.53 H new ATOM 0 HD21 LEU A 46 -1.386 4.356 -12.799 1.00 0.72 H new ATOM 0 HD22 LEU A 46 -0.281 4.622 -11.430 1.00 0.72 H new ATOM 0 HD23 LEU A 46 0.016 3.284 -12.565 1.00 0.72 H new ATOM 687 N HIS A 47 -2.293 -0.326 -11.109 1.00 0.50 N ATOM 688 CA HIS A 47 -3.372 -1.002 -11.819 1.00 0.62 C ATOM 689 C HIS A 47 -4.294 -1.718 -10.823 1.00 0.59 C ATOM 690 O HIS A 47 -5.510 -1.542 -10.873 1.00 0.63 O ATOM 691 CB HIS A 47 -2.794 -1.962 -12.869 1.00 0.74 C ATOM 692 CG HIS A 47 -3.755 -3.052 -13.273 1.00 1.02 C ATOM 693 ND1 HIS A 47 -4.868 -2.901 -14.069 1.00 2.64 N ATOM 694 CD2 HIS A 47 -3.777 -4.324 -12.767 1.00 1.18 C ATOM 695 CE1 HIS A 47 -5.534 -4.069 -14.056 1.00 2.41 C ATOM 696 NE2 HIS A 47 -4.910 -4.965 -13.274 1.00 1.05 N ATOM 0 H HIS A 47 -1.366 -0.502 -11.497 1.00 0.50 H new ATOM 0 HA HIS A 47 -3.976 -0.266 -12.349 1.00 0.62 H new ATOM 0 HB2 HIS A 47 -2.508 -1.393 -13.754 1.00 0.74 H new ATOM 0 HB3 HIS A 47 -1.885 -2.416 -12.475 1.00 0.74 H new ATOM 0 HD2 HIS A 47 -3.049 -4.755 -12.096 1.00 1.18 H new ATOM 0 HE1 HIS A 47 -6.447 -4.261 -14.600 1.00 2.41 H new ATOM 0 HE2 HIS A 47 -5.205 -5.923 -13.087 1.00 1.05 H new ATOM 704 N GLN A 48 -3.716 -2.505 -9.913 1.00 0.56 N ATOM 705 CA GLN A 48 -4.485 -3.258 -8.935 1.00 0.59 C ATOM 706 C GLN A 48 -5.159 -2.304 -7.944 1.00 0.51 C ATOM 707 O GLN A 48 -6.366 -2.391 -7.729 1.00 0.55 O ATOM 708 CB GLN A 48 -3.576 -4.275 -8.235 1.00 0.66 C ATOM 709 CG GLN A 48 -4.354 -5.121 -7.217 1.00 1.16 C ATOM 710 CD GLN A 48 -3.460 -6.114 -6.484 1.00 1.36 C ATOM 711 OE1 GLN A 48 -2.241 -5.977 -6.475 1.00 1.76 O ATOM 712 NE2 GLN A 48 -4.049 -7.115 -5.839 1.00 2.11 N ATOM 0 H GLN A 48 -2.707 -2.634 -9.838 1.00 0.56 H new ATOM 0 HA GLN A 48 -5.278 -3.813 -9.436 1.00 0.59 H new ATOM 0 HB2 GLN A 48 -3.119 -4.928 -8.979 1.00 0.66 H new ATOM 0 HB3 GLN A 48 -2.765 -3.751 -7.729 1.00 0.66 H new ATOM 0 HG2 GLN A 48 -4.833 -4.463 -6.492 1.00 1.16 H new ATOM 0 HG3 GLN A 48 -5.149 -5.662 -7.730 1.00 1.16 H new ATOM 0 HE21 GLN A 48 -5.064 -7.208 -5.861 1.00 2.11 H new ATOM 0 HE22 GLN A 48 -3.486 -7.790 -5.322 1.00 2.11 H new ATOM 721 N CYS A 49 -4.376 -1.405 -7.337 1.00 0.41 N ATOM 722 CA CYS A 49 -4.874 -0.425 -6.372 1.00 0.38 C ATOM 723 C CYS A 49 -6.093 0.317 -6.917 1.00 0.40 C ATOM 724 O CYS A 49 -7.102 0.477 -6.232 1.00 0.48 O ATOM 725 CB CYS A 49 -3.751 0.559 -6.025 1.00 0.35 C ATOM 726 SG CYS A 49 -4.304 2.096 -5.249 1.00 0.40 S ATOM 0 H CYS A 49 -3.372 -1.339 -7.505 1.00 0.41 H new ATOM 0 HA CYS A 49 -5.188 -0.948 -5.469 1.00 0.38 H new ATOM 0 HB2 CYS A 49 -3.047 0.064 -5.357 1.00 0.35 H new ATOM 0 HB3 CYS A 49 -3.207 0.804 -6.937 1.00 0.35 H new ATOM 731 N ARG A 50 -5.981 0.758 -8.169 1.00 0.40 N ATOM 732 CA ARG A 50 -7.059 1.349 -8.927 1.00 0.44 C ATOM 733 C ARG A 50 -8.178 0.319 -9.024 1.00 0.44 C ATOM 734 O ARG A 50 -9.163 0.466 -8.314 1.00 0.55 O ATOM 735 CB ARG A 50 -6.524 1.834 -10.282 1.00 0.51 C ATOM 736 CG ARG A 50 -7.623 2.346 -11.220 1.00 0.60 C ATOM 737 CD ARG A 50 -7.001 3.029 -12.444 1.00 1.13 C ATOM 738 NE ARG A 50 -6.726 4.455 -12.188 1.00 1.11 N ATOM 739 CZ ARG A 50 -7.311 5.494 -12.816 1.00 2.07 C ATOM 740 NH1 ARG A 50 -8.372 5.326 -13.607 1.00 2.74 N ATOM 741 NH2 ARG A 50 -6.812 6.725 -12.654 1.00 2.72 N ATOM 0 H ARG A 50 -5.106 0.708 -8.691 1.00 0.40 H new ATOM 0 HA ARG A 50 -7.473 2.233 -8.443 1.00 0.44 H new ATOM 0 HB2 ARG A 50 -5.799 2.630 -10.114 1.00 0.51 H new ATOM 0 HB3 ARG A 50 -5.993 1.016 -10.769 1.00 0.51 H new ATOM 0 HG2 ARG A 50 -8.254 1.516 -11.539 1.00 0.60 H new ATOM 0 HG3 ARG A 50 -8.265 3.049 -10.690 1.00 0.60 H new ATOM 0 HD2 ARG A 50 -6.075 2.522 -12.713 1.00 1.13 H new ATOM 0 HD3 ARG A 50 -7.675 2.935 -13.296 1.00 1.13 H new ATOM 0 HE ARG A 50 -6.032 4.674 -11.473 1.00 1.11 H new ATOM 0 HH11 ARG A 50 -8.760 4.393 -13.749 1.00 2.74 H new ATOM 0 HH12 ARG A 50 -8.795 6.130 -14.070 1.00 2.74 H new ATOM 0 HH21 ARG A 50 -5.996 6.870 -12.060 1.00 2.72 H new ATOM 0 HH22 ARG A 50 -7.248 7.518 -13.125 1.00 2.72 H new ATOM 755 N ALA A 51 -8.010 -0.730 -9.836 1.00 0.58 N ATOM 756 CA ALA A 51 -9.049 -1.707 -10.155 1.00 0.71 C ATOM 757 C ALA A 51 -9.883 -2.133 -8.942 1.00 0.71 C ATOM 758 O ALA A 51 -11.103 -2.237 -9.034 1.00 0.81 O ATOM 759 CB ALA A 51 -8.410 -2.930 -10.819 1.00 0.84 C ATOM 0 H ALA A 51 -7.123 -0.926 -10.300 1.00 0.58 H new ATOM 0 HA ALA A 51 -9.744 -1.222 -10.840 1.00 0.71 H new ATOM 0 HB1 ALA A 51 -9.183 -3.660 -11.058 1.00 0.84 H new ATOM 0 HB2 ALA A 51 -7.905 -2.624 -11.735 1.00 0.84 H new ATOM 0 HB3 ALA A 51 -7.687 -3.378 -10.138 1.00 0.84 H new ATOM 765 N ILE A 52 -9.228 -2.388 -7.808 1.00 0.67 N ATOM 766 CA ILE A 52 -9.900 -2.796 -6.582 1.00 0.76 C ATOM 767 C ILE A 52 -10.846 -1.707 -6.059 1.00 0.84 C ATOM 768 O ILE A 52 -11.923 -2.024 -5.557 1.00 0.90 O ATOM 769 CB ILE A 52 -8.853 -3.243 -5.557 1.00 0.75 C ATOM 770 CG1 ILE A 52 -8.350 -4.602 -6.080 1.00 0.91 C ATOM 771 CG2 ILE A 52 -9.432 -3.369 -4.138 1.00 0.84 C ATOM 772 CD1 ILE A 52 -7.344 -5.247 -5.153 1.00 1.40 C ATOM 0 H ILE A 52 -8.215 -2.316 -7.718 1.00 0.67 H new ATOM 0 HA ILE A 52 -10.546 -3.650 -6.788 1.00 0.76 H new ATOM 0 HB ILE A 52 -8.052 -2.509 -5.463 1.00 0.75 H new ATOM 0 HG12 ILE A 52 -9.199 -5.273 -6.212 1.00 0.91 H new ATOM 0 HG13 ILE A 52 -7.897 -4.464 -7.062 1.00 0.91 H new ATOM 0 HG21 ILE A 52 -8.648 -3.689 -3.452 1.00 0.84 H new ATOM 0 HG22 ILE A 52 -9.823 -2.403 -3.818 1.00 0.84 H new ATOM 0 HG23 ILE A 52 -10.236 -4.105 -4.137 1.00 0.84 H new ATOM 0 HD11 ILE A 52 -7.024 -6.201 -5.571 1.00 1.40 H new ATOM 0 HD12 ILE A 52 -6.480 -4.592 -5.041 1.00 1.40 H new ATOM 0 HD13 ILE A 52 -7.802 -5.413 -4.178 1.00 1.40 H new ATOM 784 N CYS A 53 -10.432 -0.438 -6.120 1.00 0.97 N ATOM 785 CA CYS A 53 -11.136 0.665 -5.473 1.00 1.11 C ATOM 786 C CYS A 53 -12.010 1.489 -6.424 1.00 1.39 C ATOM 787 O CYS A 53 -13.109 1.900 -6.060 1.00 1.66 O ATOM 788 CB CYS A 53 -10.133 1.605 -4.802 1.00 1.18 C ATOM 789 SG CYS A 53 -10.939 2.557 -3.499 1.00 1.54 S ATOM 0 H CYS A 53 -9.593 -0.149 -6.624 1.00 0.97 H new ATOM 0 HA CYS A 53 -11.799 0.201 -4.742 1.00 1.11 H new ATOM 0 HB2 CYS A 53 -9.308 1.028 -4.383 1.00 1.18 H new ATOM 0 HB3 CYS A 53 -9.705 2.280 -5.543 1.00 1.18 H new ATOM 794 N ARG A 54 -11.477 1.823 -7.602 1.00 1.52 N ATOM 795 CA ARG A 54 -11.936 2.893 -8.469 1.00 1.76 C ATOM 796 C ARG A 54 -11.578 2.530 -9.916 1.00 2.35 C ATOM 797 O ARG A 54 -10.572 1.866 -10.151 1.00 2.82 O ATOM 798 CB ARG A 54 -11.259 4.192 -7.980 1.00 1.60 C ATOM 799 CG ARG A 54 -10.672 5.067 -9.094 1.00 2.38 C ATOM 800 CD ARG A 54 -10.066 6.363 -8.559 1.00 2.14 C ATOM 801 NE ARG A 54 -8.934 6.133 -7.646 1.00 2.52 N ATOM 802 CZ ARG A 54 -8.340 7.107 -6.936 1.00 3.38 C ATOM 803 NH1 ARG A 54 -8.755 8.371 -7.047 1.00 3.53 N ATOM 804 NH2 ARG A 54 -7.331 6.840 -6.104 1.00 5.01 N ATOM 0 H ARG A 54 -10.675 1.326 -7.989 1.00 1.52 H new ATOM 0 HA ARG A 54 -13.016 3.038 -8.437 1.00 1.76 H new ATOM 0 HB2 ARG A 54 -11.989 4.779 -7.423 1.00 1.60 H new ATOM 0 HB3 ARG A 54 -10.462 3.930 -7.284 1.00 1.60 H new ATOM 0 HG2 ARG A 54 -9.906 4.505 -9.628 1.00 2.38 H new ATOM 0 HG3 ARG A 54 -11.454 5.305 -9.815 1.00 2.38 H new ATOM 0 HD2 ARG A 54 -9.732 6.975 -9.397 1.00 2.14 H new ATOM 0 HD3 ARG A 54 -10.837 6.930 -8.038 1.00 2.14 H new ATOM 0 HE ARG A 54 -8.581 5.181 -7.547 1.00 2.52 H new ATOM 0 HH11 ARG A 54 -9.527 8.601 -7.673 1.00 3.53 H new ATOM 0 HH12 ARG A 54 -8.301 9.106 -6.506 1.00 3.53 H new ATOM 0 HH21 ARG A 54 -6.997 5.882 -5.998 1.00 5.01 H new ATOM 0 HH22 ARG A 54 -6.894 7.594 -5.574 1.00 5.01 H new ATOM 818 N ALA A 55 -12.380 2.977 -10.885 1.00 3.20 N ATOM 819 CA ALA A 55 -12.053 2.812 -12.294 1.00 3.96 C ATOM 820 C ALA A 55 -10.828 3.654 -12.661 1.00 4.12 C ATOM 821 O ALA A 55 -10.629 4.724 -12.091 1.00 4.13 O ATOM 822 CB ALA A 55 -13.257 3.210 -13.149 1.00 5.30 C ATOM 823 OXT ALA A 55 -10.057 3.256 -13.530 1.00 5.12 O ATOM 0 H ALA A 55 -13.263 3.457 -10.713 1.00 3.20 H new ATOM 0 HA ALA A 55 -11.813 1.766 -12.486 1.00 3.96 H new ATOM 0 HB1 ALA A 55 -13.011 3.086 -14.204 1.00 5.30 H new ATOM 0 HB2 ALA A 55 -14.107 2.576 -12.898 1.00 5.30 H new ATOM 0 HB3 ALA A 55 -13.512 4.252 -12.956 1.00 5.30 H new TER 829 ALA A 55