USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 701 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 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= -1.53 (180deg=-2.18!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -76:sc= 1.21 USER MOD Single : A 14 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0446) USER MOD Single : A 17 LYS NZ :NH3+ -127:sc= 0 (180deg=-1.09) USER MOD Single : A 18 ASN : amide:sc= -2.4! C(o=-2.4!,f=-3.2!) USER MOD Single : A 21 MET CE :methyl -167:sc= -1.03 (180deg=-1.76) USER MOD Single : A 24 LYS NZ :NH3+ -149:sc= 1.03 (180deg=-0.042) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0.197 K(o=0.2,f=-3.4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -144:sc= -1.47 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -150:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.041 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 134:sc= -10.3! (180deg=-13.3!) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.257) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -158:sc= -2.91! (180deg=-3.85!) USER MOD Single : A 84 SER OG : rot 84:sc= 1.2 USER MOD Single : A 86 TYR OH : rot 168:sc= -1.83 USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 6 -2.424 -6.880 -6.079 1.00 0.27 N ATOM 68 CA ASN A 6 -3.774 -7.441 -6.095 1.00 0.24 C ATOM 69 C ASN A 6 -4.820 -6.396 -5.694 1.00 0.24 C ATOM 70 O ASN A 6 -4.902 -6.021 -4.529 1.00 0.25 O ATOM 71 CB ASN A 6 -3.855 -8.637 -5.144 1.00 0.28 C ATOM 72 CG ASN A 6 -2.941 -9.773 -5.564 1.00 0.92 C ATOM 73 OD1 ASN A 6 -1.786 -9.844 -5.145 1.00 1.72 O ATOM 74 ND2 ASN A 6 -3.457 -10.668 -6.399 1.00 0.87 N ATOM 0 HA ASN A 6 -3.988 -7.765 -7.114 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.591 -8.315 -4.137 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -4.883 -8.997 -5.104 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -2.890 -11.454 -6.718 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -4.420 -10.570 -6.721 1.00 0.87 H new ATOM 81 N PRO A 7 -5.651 -5.923 -6.646 1.00 0.25 N ATOM 82 CA PRO A 7 -6.683 -4.918 -6.359 1.00 0.26 C ATOM 83 C PRO A 7 -7.704 -5.409 -5.341 1.00 0.26 C ATOM 84 O PRO A 7 -8.478 -4.625 -4.800 1.00 0.26 O ATOM 85 CB PRO A 7 -7.355 -4.679 -7.716 1.00 0.28 C ATOM 86 CG PRO A 7 -6.383 -5.187 -8.726 1.00 0.43 C ATOM 87 CD PRO A 7 -5.665 -6.325 -8.062 1.00 0.29 C ATOM 0 HA PRO A 7 -6.253 -4.017 -5.922 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -8.306 -5.208 -7.783 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -7.567 -3.621 -7.870 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -6.895 -5.520 -9.629 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -5.685 -4.405 -9.026 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -6.186 -7.271 -8.208 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.657 -6.452 -8.456 1.00 0.29 H new ATOM 95 N LYS A 8 -7.716 -6.712 -5.094 1.00 0.30 N ATOM 96 CA LYS A 8 -8.641 -7.287 -4.127 1.00 0.33 C ATOM 97 C LYS A 8 -8.132 -7.069 -2.707 1.00 0.27 C ATOM 98 O LYS A 8 -8.865 -6.598 -1.838 1.00 0.26 O ATOM 99 CB LYS A 8 -8.842 -8.783 -4.385 1.00 0.43 C ATOM 100 CG LYS A 8 -9.663 -9.090 -5.629 1.00 0.77 C ATOM 101 CD LYS A 8 -8.781 -9.281 -6.854 1.00 0.59 C ATOM 102 CE LYS A 8 -8.774 -8.046 -7.739 1.00 0.73 C ATOM 103 NZ LYS A 8 -8.081 -8.296 -9.034 1.00 1.39 N ATOM 0 H LYS A 8 -7.100 -7.387 -5.547 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.601 -6.784 -4.241 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -7.866 -9.260 -4.479 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -9.332 -9.228 -3.519 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -10.253 -9.991 -5.462 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -10.366 -8.277 -5.810 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -7.763 -9.508 -6.538 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -9.135 -10.138 -7.427 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -9.800 -7.731 -7.931 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -8.281 -7.227 -7.216 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -7.887 -7.389 -9.504 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -7.185 -8.794 -8.858 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -8.687 -8.880 -9.645 1.00 1.39 H new ATOM 117 N SER A 9 -6.870 -7.418 -2.483 1.00 0.26 N ATOM 118 CA SER A 9 -6.253 -7.269 -1.171 1.00 0.26 C ATOM 119 C SER A 9 -5.883 -5.819 -0.887 1.00 0.19 C ATOM 120 O SER A 9 -6.067 -5.329 0.228 1.00 0.23 O ATOM 121 CB SER A 9 -5.010 -8.155 -1.070 1.00 0.33 C ATOM 122 OG SER A 9 -5.354 -9.529 -1.146 1.00 0.71 O ATOM 0 H SER A 9 -6.253 -7.807 -3.196 1.00 0.26 H new ATOM 0 HA SER A 9 -6.982 -7.581 -0.424 1.00 0.26 H new ATOM 0 HB2 SER A 9 -4.316 -7.906 -1.873 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.494 -7.958 -0.130 1.00 0.33 H new ATOM 0 HG SER A 9 -4.542 -10.074 -1.081 1.00 0.71 H new ATOM 128 N LEU A 10 -5.361 -5.136 -1.897 1.00 0.15 N ATOM 129 CA LEU A 10 -4.963 -3.744 -1.748 1.00 0.20 C ATOM 130 C LEU A 10 -6.163 -2.856 -1.456 1.00 0.19 C ATOM 131 O LEU A 10 -6.008 -1.677 -1.151 1.00 0.27 O ATOM 132 CB LEU A 10 -4.261 -3.239 -3.010 1.00 0.24 C ATOM 133 CG LEU A 10 -3.014 -4.023 -3.428 1.00 0.27 C ATOM 134 CD1 LEU A 10 -2.371 -3.387 -4.650 1.00 0.47 C ATOM 135 CD2 LEU A 10 -2.017 -4.098 -2.284 1.00 0.50 C ATOM 0 H LEU A 10 -5.204 -5.523 -2.827 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.272 -3.695 -0.906 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -4.974 -3.258 -3.834 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -3.980 -2.197 -2.856 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.319 -5.038 -3.684 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.486 -3.957 -4.934 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -3.082 -3.386 -5.476 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -2.083 -2.362 -4.418 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.139 -4.659 -2.603 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.718 -3.090 -1.995 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.478 -4.598 -1.432 1.00 0.50 H new ATOM 147 N THR A 11 -7.360 -3.415 -1.548 1.00 0.14 N ATOM 148 CA THR A 11 -8.560 -2.628 -1.298 1.00 0.18 C ATOM 149 C THR A 11 -9.470 -3.302 -0.280 1.00 0.15 C ATOM 150 O THR A 11 -10.666 -3.016 -0.213 1.00 0.18 O ATOM 151 CB THR A 11 -9.330 -2.367 -2.604 1.00 0.25 C ATOM 152 OG1 THR A 11 -10.006 -3.560 -3.020 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.378 -1.905 -3.703 1.00 0.35 C ATOM 0 H THR A 11 -7.527 -4.392 -1.789 1.00 0.14 H new ATOM 0 HA THR A 11 -8.238 -1.672 -0.884 1.00 0.18 H new ATOM 0 HB THR A 11 -10.063 -1.581 -2.422 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.359 -4.182 -3.414 1.00 0.31 H new ATOM 0 HG21 THR A 11 -8.940 -1.725 -4.619 1.00 0.35 H new ATOM 0 HG22 THR A 11 -7.884 -0.984 -3.393 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.628 -2.676 -3.883 1.00 0.35 H new ATOM 161 N ASP A 12 -8.892 -4.199 0.511 1.00 0.11 N ATOM 162 CA ASP A 12 -9.633 -4.900 1.542 1.00 0.12 C ATOM 163 C ASP A 12 -9.161 -4.396 2.899 1.00 0.11 C ATOM 164 O ASP A 12 -8.008 -4.618 3.268 1.00 0.10 O ATOM 165 CB ASP A 12 -9.417 -6.410 1.428 1.00 0.14 C ATOM 166 CG ASP A 12 -10.397 -7.200 2.273 1.00 0.24 C ATOM 167 OD1 ASP A 12 -11.610 -7.144 1.984 1.00 0.57 O ATOM 168 OD2 ASP A 12 -9.951 -7.877 3.222 1.00 0.51 O ATOM 0 H ASP A 12 -7.907 -4.456 0.454 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.700 -4.708 1.425 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.516 -6.711 0.385 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.399 -6.653 1.734 1.00 0.14 H new ATOM 173 N PRO A 13 -10.037 -3.718 3.665 1.00 0.11 N ATOM 174 CA PRO A 13 -9.675 -3.159 4.968 1.00 0.11 C ATOM 175 C PRO A 13 -8.846 -4.102 5.832 1.00 0.12 C ATOM 176 O PRO A 13 -8.184 -3.664 6.770 1.00 0.13 O ATOM 177 CB PRO A 13 -11.029 -2.888 5.611 1.00 0.12 C ATOM 178 CG PRO A 13 -11.895 -2.531 4.458 1.00 0.12 C ATOM 179 CD PRO A 13 -11.446 -3.422 3.327 1.00 0.11 C ATOM 0 HA PRO A 13 -9.041 -2.279 4.863 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.405 -3.764 6.139 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.973 -2.077 6.337 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.947 -2.694 4.692 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.786 -1.479 4.196 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -12.045 -4.331 3.269 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.532 -2.922 2.362 1.00 0.11 H new ATOM 187 N LYS A 14 -8.892 -5.394 5.532 1.00 0.13 N ATOM 188 CA LYS A 14 -8.112 -6.366 6.285 1.00 0.15 C ATOM 189 C LYS A 14 -6.631 -6.021 6.178 1.00 0.13 C ATOM 190 O LYS A 14 -5.949 -5.826 7.184 1.00 0.16 O ATOM 191 CB LYS A 14 -8.366 -7.781 5.758 1.00 0.18 C ATOM 192 CG LYS A 14 -7.756 -8.878 6.618 1.00 0.34 C ATOM 193 CD LYS A 14 -6.270 -9.049 6.341 1.00 0.60 C ATOM 194 CE LYS A 14 -5.511 -9.397 7.606 1.00 0.54 C ATOM 195 NZ LYS A 14 -6.044 -10.624 8.258 1.00 1.37 N ATOM 0 H LYS A 14 -9.456 -5.790 4.780 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.415 -6.332 7.331 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.441 -7.944 5.687 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.964 -7.859 4.748 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -7.905 -8.640 7.671 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.272 -9.819 6.428 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.124 -9.834 5.599 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -5.869 -8.129 5.915 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -4.457 -9.542 7.368 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -5.568 -8.562 8.304 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -5.390 -10.932 9.006 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -6.975 -10.419 8.674 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -6.140 -11.380 7.550 1.00 1.37 H new ATOM 209 N LEU A 15 -6.149 -5.946 4.943 1.00 0.09 N ATOM 210 CA LEU A 15 -4.756 -5.619 4.672 1.00 0.08 C ATOM 211 C LEU A 15 -4.485 -4.157 4.967 1.00 0.08 C ATOM 212 O LEU A 15 -3.482 -3.808 5.579 1.00 0.09 O ATOM 213 CB LEU A 15 -4.421 -5.900 3.206 1.00 0.08 C ATOM 214 CG LEU A 15 -4.396 -7.372 2.797 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.380 -8.119 3.633 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.775 -7.998 2.939 1.00 0.12 C ATOM 0 H LEU A 15 -6.710 -6.109 4.107 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.133 -6.239 5.316 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.149 -5.382 2.581 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.446 -5.465 2.987 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.107 -7.439 1.748 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.366 -9.168 3.337 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.392 -7.685 3.478 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.649 -8.042 4.687 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.731 -9.046 2.642 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.101 -7.928 3.977 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.482 -7.469 2.300 1.00 0.12 H new ATOM 228 N LEU A 16 -5.389 -3.309 4.515 1.00 0.10 N ATOM 229 CA LEU A 16 -5.259 -1.876 4.704 1.00 0.12 C ATOM 230 C LEU A 16 -5.038 -1.536 6.175 1.00 0.16 C ATOM 231 O LEU A 16 -4.109 -0.804 6.516 1.00 0.27 O ATOM 232 CB LEU A 16 -6.506 -1.181 4.158 1.00 0.10 C ATOM 233 CG LEU A 16 -7.012 -1.747 2.831 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.375 -1.173 2.480 1.00 0.10 C ATOM 235 CD2 LEU A 16 -6.008 -1.480 1.719 1.00 0.18 C ATOM 0 H LEU A 16 -6.229 -3.591 4.010 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.386 -1.520 4.157 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.302 -1.255 4.898 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.289 -0.121 4.028 1.00 0.10 H new ATOM 0 HG LEU A 16 -7.122 -2.826 2.940 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.713 -1.591 1.532 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.089 -1.426 3.263 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.302 -0.089 2.393 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.385 -1.890 0.782 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.861 -0.405 1.612 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -5.058 -1.953 1.966 1.00 0.18 H new ATOM 247 N LYS A 17 -5.893 -2.069 7.044 1.00 0.14 N ATOM 248 CA LYS A 17 -5.760 -1.832 8.475 1.00 0.17 C ATOM 249 C LYS A 17 -4.505 -2.516 9.000 1.00 0.18 C ATOM 250 O LYS A 17 -3.945 -2.118 10.021 1.00 0.22 O ATOM 251 CB LYS A 17 -6.993 -2.343 9.221 1.00 0.19 C ATOM 252 CG LYS A 17 -8.255 -1.562 8.911 1.00 0.20 C ATOM 253 CD LYS A 17 -9.471 -2.202 9.554 1.00 0.24 C ATOM 254 CE LYS A 17 -10.713 -1.357 9.343 1.00 0.31 C ATOM 255 NZ LYS A 17 -11.896 -1.912 10.061 1.00 0.88 N ATOM 0 H LYS A 17 -6.680 -2.664 6.783 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.677 -0.759 8.645 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -7.153 -3.391 8.968 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.803 -2.300 10.293 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.149 -0.538 9.269 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.397 -1.510 7.832 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.628 -3.195 9.133 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.294 -2.333 10.622 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.523 -0.341 9.689 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -10.932 -1.295 8.277 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -12.686 -2.024 9.394 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -11.652 -2.838 10.468 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -12.176 -1.262 10.823 1.00 0.88 H new ATOM 269 N ASN A 18 -4.071 -3.551 8.286 1.00 0.14 N ATOM 270 CA ASN A 18 -2.873 -4.293 8.650 1.00 0.15 C ATOM 271 C ASN A 18 -1.811 -4.080 7.582 1.00 0.13 C ATOM 272 O ASN A 18 -1.429 -5.018 6.887 1.00 0.11 O ATOM 273 CB ASN A 18 -3.189 -5.788 8.781 1.00 0.16 C ATOM 274 CG ASN A 18 -2.316 -6.480 9.811 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.767 -5.842 10.707 1.00 0.50 O ATOM 276 ND2 ASN A 18 -2.197 -7.799 9.694 1.00 0.53 N ATOM 0 H ASN A 18 -4.537 -3.895 7.446 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.506 -3.933 9.611 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.237 -5.912 9.056 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -3.054 -6.270 7.813 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.632 -8.322 10.364 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.670 -8.288 8.934 1.00 0.53 H new ATOM 283 N ILE A 19 -1.351 -2.833 7.452 1.00 0.13 N ATOM 284 CA ILE A 19 -0.346 -2.478 6.450 1.00 0.12 C ATOM 285 C ILE A 19 0.704 -3.577 6.275 1.00 0.10 C ATOM 286 O ILE A 19 0.991 -3.968 5.148 1.00 0.09 O ATOM 287 CB ILE A 19 0.350 -1.138 6.776 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.611 0.040 6.557 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.606 -0.962 5.927 1.00 0.19 C ATOM 290 CD1 ILE A 19 -1.049 0.224 5.112 1.00 0.49 C ATOM 0 H ILE A 19 -1.660 -2.052 8.030 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.887 -2.366 5.510 1.00 0.12 H new ATOM 0 HB ILE A 19 0.642 -1.155 7.826 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.495 -0.106 7.178 1.00 0.20 H new ATOM 0 HG13 ILE A 19 -0.129 0.956 6.899 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.081 -0.012 6.172 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.300 -1.778 6.130 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.336 -0.970 4.871 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.726 1.076 5.043 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.174 0.404 4.487 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.561 -0.675 4.770 1.00 0.49 H new ATOM 302 N PRO A 20 1.320 -4.075 7.368 1.00 0.12 N ATOM 303 CA PRO A 20 2.309 -5.151 7.267 1.00 0.12 C ATOM 304 C PRO A 20 1.800 -6.269 6.372 1.00 0.11 C ATOM 305 O PRO A 20 2.495 -6.742 5.472 1.00 0.14 O ATOM 306 CB PRO A 20 2.418 -5.644 8.704 1.00 0.14 C ATOM 307 CG PRO A 20 2.158 -4.432 9.524 1.00 0.15 C ATOM 308 CD PRO A 20 1.129 -3.635 8.766 1.00 0.14 C ATOM 0 HA PRO A 20 3.256 -4.823 6.839 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.691 -6.429 8.912 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.404 -6.060 8.909 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.792 -4.702 10.515 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.071 -3.854 9.668 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.119 -3.843 9.119 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.290 -2.563 8.876 1.00 0.14 H new ATOM 316 N MET A 21 0.569 -6.678 6.645 1.00 0.10 N ATOM 317 CA MET A 21 -0.100 -7.717 5.884 1.00 0.10 C ATOM 318 C MET A 21 -0.331 -7.230 4.455 1.00 0.08 C ATOM 319 O MET A 21 -0.135 -7.967 3.490 1.00 0.10 O ATOM 320 CB MET A 21 -1.423 -8.050 6.572 1.00 0.13 C ATOM 321 CG MET A 21 -1.935 -9.458 6.319 1.00 0.25 C ATOM 322 SD MET A 21 -1.406 -10.642 7.576 1.00 0.94 S ATOM 323 CE MET A 21 0.362 -10.696 7.295 1.00 0.54 C ATOM 0 H MET A 21 0.006 -6.295 7.404 1.00 0.10 H new ATOM 0 HA MET A 21 0.513 -8.617 5.841 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.303 -7.909 7.646 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.179 -7.338 6.240 1.00 0.13 H new ATOM 0 HG2 MET A 21 -3.024 -9.440 6.281 1.00 0.25 H new ATOM 0 HG3 MET A 21 -1.587 -9.795 5.342 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.790 -11.544 7.830 1.00 0.54 H new ATOM 0 HE2 MET A 21 0.558 -10.804 6.228 1.00 0.54 H new ATOM 0 HE3 MET A 21 0.816 -9.773 7.655 1.00 0.54 H new ATOM 333 N TRP A 22 -0.773 -5.980 4.340 1.00 0.06 N ATOM 334 CA TRP A 22 -0.995 -5.345 3.051 1.00 0.06 C ATOM 335 C TRP A 22 0.256 -5.466 2.190 1.00 0.06 C ATOM 336 O TRP A 22 0.179 -5.649 0.975 1.00 0.08 O ATOM 337 CB TRP A 22 -1.353 -3.874 3.282 1.00 0.07 C ATOM 338 CG TRP A 22 -1.729 -3.127 2.044 1.00 0.08 C ATOM 339 CD1 TRP A 22 -2.937 -3.144 1.410 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.893 -2.240 1.298 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.903 -2.321 0.312 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.657 -1.758 0.218 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.431 -1.806 1.435 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.146 -0.867 -0.719 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.939 -0.920 0.500 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.152 -0.461 -0.564 1.00 0.11 C ATOM 0 H TRP A 22 -0.986 -5.383 5.139 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.815 -5.837 2.528 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.181 -3.821 3.989 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.503 -3.375 3.748 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.794 -3.720 1.726 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.679 -2.155 -0.329 1.00 0.10 H new ATOM 0 HE3 TRP A 22 1.044 -2.155 2.253 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.751 -0.508 -1.539 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 1.959 -0.577 0.593 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.579 0.228 -1.278 1.00 0.11 H new ATOM 357 N LEU A 23 1.407 -5.359 2.843 1.00 0.06 N ATOM 358 CA LEU A 23 2.693 -5.465 2.178 1.00 0.08 C ATOM 359 C LEU A 23 3.029 -6.919 1.861 1.00 0.10 C ATOM 360 O LEU A 23 3.773 -7.198 0.924 1.00 0.13 O ATOM 361 CB LEU A 23 3.780 -4.866 3.065 1.00 0.09 C ATOM 362 CG LEU A 23 3.768 -3.343 3.170 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.784 -2.875 4.197 1.00 0.10 C ATOM 364 CD2 LEU A 23 4.051 -2.713 1.815 1.00 0.10 C ATOM 0 H LEU A 23 1.471 -5.196 3.848 1.00 0.06 H new ATOM 0 HA LEU A 23 2.640 -4.915 1.239 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.680 -5.284 4.067 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.752 -5.180 2.684 1.00 0.09 H new ATOM 0 HG LEU A 23 2.777 -3.027 3.495 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.763 -1.787 4.260 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.539 -3.300 5.171 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.780 -3.202 3.899 1.00 0.10 H new ATOM 0 HD21 LEU A 23 4.039 -1.627 1.909 1.00 0.10 H new ATOM 0 HD22 LEU A 23 5.030 -3.035 1.461 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.287 -3.024 1.102 1.00 0.10 H new ATOM 376 N LYS A 24 2.481 -7.843 2.649 1.00 0.10 N ATOM 377 CA LYS A 24 2.719 -9.244 2.456 1.00 0.13 C ATOM 378 C LYS A 24 2.178 -9.678 1.099 1.00 0.13 C ATOM 379 O LYS A 24 2.791 -10.489 0.404 1.00 0.16 O ATOM 380 CB LYS A 24 2.072 -10.020 3.593 1.00 0.17 C ATOM 381 CG LYS A 24 1.921 -11.473 3.290 1.00 0.51 C ATOM 382 CD LYS A 24 3.153 -12.269 3.684 1.00 1.24 C ATOM 383 CE LYS A 24 4.243 -12.183 2.630 1.00 2.30 C ATOM 384 NZ LYS A 24 3.848 -12.862 1.365 1.00 3.29 N ATOM 0 H LYS A 24 1.864 -7.627 3.432 1.00 0.10 H new ATOM 0 HA LYS A 24 3.789 -9.450 2.465 1.00 0.13 H new ATOM 0 HB2 LYS A 24 2.673 -9.902 4.495 1.00 0.17 H new ATOM 0 HB3 LYS A 24 1.091 -9.594 3.805 1.00 0.17 H new ATOM 0 HG2 LYS A 24 1.052 -11.865 3.819 1.00 0.51 H new ATOM 0 HG3 LYS A 24 1.731 -11.603 2.225 1.00 0.51 H new ATOM 0 HD2 LYS A 24 3.537 -11.898 4.634 1.00 1.24 H new ATOM 0 HD3 LYS A 24 2.878 -13.312 3.837 1.00 1.24 H new ATOM 0 HE2 LYS A 24 4.468 -11.136 2.425 1.00 2.30 H new ATOM 0 HE3 LYS A 24 5.157 -12.636 3.015 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 4.694 -13.247 0.899 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 3.188 -13.637 1.578 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 3.386 -12.177 0.733 1.00 3.29 H new ATOM 398 N SER A 25 1.026 -9.129 0.725 1.00 0.13 N ATOM 399 CA SER A 25 0.420 -9.439 -0.562 1.00 0.15 C ATOM 400 C SER A 25 1.201 -8.748 -1.674 1.00 0.14 C ATOM 401 O SER A 25 0.945 -8.957 -2.861 1.00 0.20 O ATOM 402 CB SER A 25 -1.049 -9.003 -0.587 1.00 0.20 C ATOM 403 OG SER A 25 -1.807 -9.711 0.380 1.00 0.96 O ATOM 0 H SER A 25 0.496 -8.469 1.294 1.00 0.13 H new ATOM 0 HA SER A 25 0.454 -10.517 -0.719 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.117 -7.932 -0.395 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.466 -9.176 -1.579 1.00 0.20 H new ATOM 0 HG SER A 25 -2.740 -9.414 0.346 1.00 0.96 H new ATOM 409 N LEU A 26 2.160 -7.917 -1.267 1.00 0.12 N ATOM 410 CA LEU A 26 3.007 -7.182 -2.200 1.00 0.13 C ATOM 411 C LEU A 26 4.465 -7.603 -2.046 1.00 0.16 C ATOM 412 O LEU A 26 5.351 -7.071 -2.718 1.00 0.28 O ATOM 413 CB LEU A 26 2.874 -5.680 -1.959 1.00 0.14 C ATOM 414 CG LEU A 26 1.440 -5.154 -1.970 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.398 -3.695 -1.537 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.824 -5.327 -3.351 1.00 0.66 C ATOM 0 H LEU A 26 2.369 -7.736 -0.285 1.00 0.12 H new ATOM 0 HA LEU A 26 2.682 -7.412 -3.215 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.327 -5.439 -0.997 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.446 -5.152 -2.722 1.00 0.14 H new ATOM 0 HG LEU A 26 0.853 -5.733 -1.257 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.367 -3.341 -1.552 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.799 -3.603 -0.527 1.00 0.38 H new ATOM 0 HD13 LEU A 26 1.998 -3.095 -2.221 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.198 -4.948 -3.344 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.411 -4.773 -4.083 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.817 -6.384 -3.616 1.00 0.66 H new ATOM 428 N ARG A 27 4.700 -8.552 -1.143 1.00 0.15 N ATOM 429 CA ARG A 27 6.043 -9.066 -0.878 1.00 0.21 C ATOM 430 C ARG A 27 6.944 -8.004 -0.252 1.00 0.21 C ATOM 431 O ARG A 27 8.147 -8.219 -0.096 1.00 0.35 O ATOM 432 CB ARG A 27 6.678 -9.602 -2.163 1.00 0.31 C ATOM 433 CG ARG A 27 6.350 -11.058 -2.442 1.00 1.11 C ATOM 434 CD ARG A 27 7.144 -11.985 -1.537 1.00 2.02 C ATOM 435 NE ARG A 27 8.583 -11.841 -1.740 1.00 2.71 N ATOM 436 CZ ARG A 27 9.454 -12.835 -1.599 1.00 3.55 C ATOM 437 NH1 ARG A 27 9.035 -14.046 -1.256 1.00 3.89 N ATOM 438 NH2 ARG A 27 10.745 -12.619 -1.804 1.00 4.34 N ATOM 0 H ARG A 27 3.970 -8.985 -0.577 1.00 0.15 H new ATOM 0 HA ARG A 27 5.942 -9.882 -0.162 1.00 0.21 H new ATOM 0 HB2 ARG A 27 6.343 -8.995 -3.004 1.00 0.31 H new ATOM 0 HB3 ARG A 27 7.760 -9.488 -2.099 1.00 0.31 H new ATOM 0 HG2 ARG A 27 5.283 -11.228 -2.294 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.568 -11.289 -3.485 1.00 1.11 H new ATOM 0 HD2 ARG A 27 6.901 -11.772 -0.496 1.00 2.02 H new ATOM 0 HD3 ARG A 27 6.852 -13.018 -1.728 1.00 2.02 H new ATOM 0 HE ARG A 27 8.941 -10.923 -2.006 1.00 2.71 H new ATOM 0 HH11 ARG A 27 8.042 -14.217 -1.100 1.00 3.89 H new ATOM 0 HH12 ARG A 27 9.706 -14.806 -1.149 1.00 3.89 H new ATOM 0 HH21 ARG A 27 11.071 -11.690 -2.070 1.00 4.34 H new ATOM 0 HH22 ARG A 27 11.413 -13.382 -1.696 1.00 4.34 H new ATOM 452 N LEU A 28 6.365 -6.862 0.107 1.00 0.14 N ATOM 453 CA LEU A 28 7.132 -5.784 0.724 1.00 0.14 C ATOM 454 C LEU A 28 6.963 -5.783 2.235 1.00 0.13 C ATOM 455 O LEU A 28 7.181 -4.760 2.883 1.00 0.13 O ATOM 456 CB LEU A 28 6.723 -4.424 0.152 1.00 0.16 C ATOM 457 CG LEU A 28 7.101 -4.199 -1.312 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.876 -3.819 -2.126 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.170 -3.126 -1.427 1.00 0.67 C ATOM 0 H LEU A 28 5.373 -6.659 -0.018 1.00 0.14 H new ATOM 0 HA LEU A 28 8.183 -5.959 0.494 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.643 -4.314 0.254 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.182 -3.640 0.755 1.00 0.16 H new ATOM 0 HG LEU A 28 7.504 -5.130 -1.710 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.164 -3.663 -3.166 1.00 0.67 H new ATOM 0 HD12 LEU A 28 5.139 -4.620 -2.070 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.445 -2.901 -1.727 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.427 -2.979 -2.476 1.00 0.67 H new ATOM 0 HD22 LEU A 28 7.794 -2.191 -1.011 1.00 0.67 H new ATOM 0 HD23 LEU A 28 9.058 -3.436 -0.876 1.00 0.67 H new ATOM 471 N HIS A 29 6.554 -6.921 2.800 1.00 0.13 N ATOM 472 CA HIS A 29 6.432 -7.024 4.248 1.00 0.13 C ATOM 473 C HIS A 29 7.814 -6.793 4.830 1.00 0.12 C ATOM 474 O HIS A 29 8.001 -6.622 6.033 1.00 0.13 O ATOM 475 CB HIS A 29 5.899 -8.391 4.673 1.00 0.14 C ATOM 476 CG HIS A 29 6.683 -9.538 4.114 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.831 -9.760 2.760 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.368 -10.530 4.732 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.571 -10.838 2.570 1.00 0.20 C ATOM 480 NE2 HIS A 29 7.909 -11.322 3.751 1.00 0.24 N ATOM 0 H HIS A 29 6.307 -7.766 2.286 1.00 0.13 H new ATOM 0 HA HIS A 29 5.721 -6.284 4.614 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.906 -8.453 5.761 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.860 -8.482 4.355 1.00 0.14 H new ATOM 0 HD2 HIS A 29 7.469 -10.671 5.798 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.851 -11.252 1.613 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.481 -12.152 3.909 1.00 0.24 H new ATOM 489 N LYS A 30 8.781 -6.821 3.923 1.00 0.12 N ATOM 490 CA LYS A 30 10.174 -6.580 4.238 1.00 0.12 C ATOM 491 C LYS A 30 10.309 -5.188 4.829 1.00 0.11 C ATOM 492 O LYS A 30 11.117 -4.939 5.724 1.00 0.17 O ATOM 493 CB LYS A 30 11.005 -6.697 2.955 1.00 0.15 C ATOM 494 CG LYS A 30 10.244 -6.340 1.696 1.00 0.28 C ATOM 495 CD LYS A 30 11.184 -6.025 0.549 1.00 0.59 C ATOM 496 CE LYS A 30 10.462 -6.080 -0.782 1.00 0.65 C ATOM 497 NZ LYS A 30 11.406 -6.027 -1.932 1.00 0.72 N ATOM 0 H LYS A 30 8.613 -7.015 2.936 1.00 0.12 H new ATOM 0 HA LYS A 30 10.533 -7.313 4.961 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.876 -6.047 3.038 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.376 -7.718 2.866 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.592 -7.168 1.417 1.00 0.28 H new ATOM 0 HG3 LYS A 30 9.603 -5.480 1.889 1.00 0.28 H new ATOM 0 HD2 LYS A 30 11.616 -5.034 0.691 1.00 0.59 H new ATOM 0 HD3 LYS A 30 12.011 -6.736 0.547 1.00 0.59 H new ATOM 0 HE2 LYS A 30 9.874 -6.996 -0.838 1.00 0.65 H new ATOM 0 HE3 LYS A 30 9.762 -5.247 -0.849 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 10.871 -6.067 -2.823 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 11.950 -5.141 -1.894 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 12.058 -6.836 -1.883 1.00 0.72 H new ATOM 511 N TYR A 31 9.493 -4.290 4.299 1.00 0.10 N ATOM 512 CA TYR A 31 9.452 -2.907 4.737 1.00 0.10 C ATOM 513 C TYR A 31 8.219 -2.664 5.589 1.00 0.11 C ATOM 514 O TYR A 31 7.764 -1.529 5.735 1.00 0.16 O ATOM 515 CB TYR A 31 9.445 -1.987 3.524 1.00 0.12 C ATOM 516 CG TYR A 31 10.700 -2.101 2.693 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.953 -1.892 3.256 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.630 -2.434 1.350 1.00 0.16 C ATOM 519 CE1 TYR A 31 13.103 -2.006 2.498 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.775 -2.554 0.585 1.00 0.20 C ATOM 521 CZ TYR A 31 13.008 -2.338 1.164 1.00 0.23 C ATOM 522 OH TYR A 31 14.151 -2.455 0.405 1.00 0.28 O ATOM 0 H TYR A 31 8.837 -4.504 3.548 1.00 0.10 H new ATOM 0 HA TYR A 31 10.336 -2.696 5.339 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.581 -2.221 2.902 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.328 -0.956 3.857 1.00 0.12 H new ATOM 0 HD1 TYR A 31 12.029 -1.636 4.303 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.666 -2.602 0.894 1.00 0.16 H new ATOM 0 HE1 TYR A 31 14.070 -1.836 2.948 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.704 -2.815 -0.460 1.00 0.20 H new ATOM 0 HH TYR A 31 13.910 -2.695 -0.514 1.00 0.28 H new ATOM 532 N SER A 32 7.680 -3.743 6.147 1.00 0.10 N ATOM 533 CA SER A 32 6.500 -3.654 6.988 1.00 0.12 C ATOM 534 C SER A 32 6.766 -2.749 8.172 1.00 0.13 C ATOM 535 O SER A 32 5.955 -1.896 8.499 1.00 0.16 O ATOM 536 CB SER A 32 6.082 -5.039 7.481 1.00 0.13 C ATOM 537 OG SER A 32 5.242 -4.940 8.617 1.00 1.30 O ATOM 0 H SER A 32 8.045 -4.688 6.030 1.00 0.10 H new ATOM 0 HA SER A 32 5.689 -3.235 6.392 1.00 0.12 H new ATOM 0 HB2 SER A 32 5.562 -5.571 6.685 1.00 0.13 H new ATOM 0 HB3 SER A 32 6.968 -5.624 7.729 1.00 0.13 H new ATOM 0 HG SER A 32 5.433 -5.680 9.231 1.00 1.30 H new ATOM 543 N ASP A 33 7.906 -2.948 8.808 1.00 0.12 N ATOM 544 CA ASP A 33 8.281 -2.142 9.962 1.00 0.14 C ATOM 545 C ASP A 33 8.359 -0.661 9.598 1.00 0.14 C ATOM 546 O ASP A 33 7.942 0.203 10.370 1.00 0.20 O ATOM 547 CB ASP A 33 9.626 -2.605 10.514 1.00 0.17 C ATOM 548 CG ASP A 33 9.846 -2.164 11.947 1.00 1.10 C ATOM 549 OD1 ASP A 33 10.359 -1.044 12.153 1.00 2.21 O ATOM 550 OD2 ASP A 33 9.503 -2.940 12.865 1.00 1.00 O ATOM 0 H ASP A 33 8.589 -3.659 8.548 1.00 0.12 H new ATOM 0 HA ASP A 33 7.512 -2.271 10.724 1.00 0.14 H new ATOM 0 HB2 ASP A 33 9.683 -3.692 10.459 1.00 0.17 H new ATOM 0 HB3 ASP A 33 10.427 -2.211 9.889 1.00 0.17 H new ATOM 555 N ALA A 34 8.898 -0.380 8.417 1.00 0.12 N ATOM 556 CA ALA A 34 9.052 0.995 7.945 1.00 0.13 C ATOM 557 C ALA A 34 7.751 1.579 7.406 1.00 0.12 C ATOM 558 O ALA A 34 7.579 2.797 7.372 1.00 0.15 O ATOM 559 CB ALA A 34 10.137 1.061 6.880 1.00 0.15 C ATOM 0 H ALA A 34 9.237 -1.088 7.765 1.00 0.12 H new ATOM 0 HA ALA A 34 9.341 1.600 8.804 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.245 2.089 6.534 1.00 0.15 H new ATOM 0 HB2 ALA A 34 11.082 0.719 7.302 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.862 0.423 6.040 1.00 0.15 H new ATOM 565 N LEU A 35 6.831 0.716 6.999 1.00 0.10 N ATOM 566 CA LEU A 35 5.565 1.173 6.435 1.00 0.09 C ATOM 567 C LEU A 35 4.384 0.936 7.377 1.00 0.09 C ATOM 568 O LEU A 35 3.283 1.425 7.128 1.00 0.12 O ATOM 569 CB LEU A 35 5.315 0.461 5.101 1.00 0.09 C ATOM 570 CG LEU A 35 5.927 1.116 3.848 1.00 0.19 C ATOM 571 CD1 LEU A 35 6.998 2.151 4.193 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.493 0.045 2.917 1.00 0.14 C ATOM 0 H LEU A 35 6.934 -0.298 7.047 1.00 0.10 H new ATOM 0 HA LEU A 35 5.643 2.249 6.283 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.702 -0.555 5.179 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.238 0.381 4.953 1.00 0.09 H new ATOM 0 HG LEU A 35 5.126 1.650 3.337 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.397 2.582 3.275 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.558 2.940 4.803 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.804 1.670 4.747 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.923 0.520 2.035 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.266 -0.519 3.439 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.694 -0.631 2.612 1.00 0.14 H new ATOM 584 N SER A 36 4.614 0.205 8.462 1.00 0.10 N ATOM 585 CA SER A 36 3.549 -0.094 9.415 1.00 0.10 C ATOM 586 C SER A 36 3.100 1.165 10.142 1.00 0.10 C ATOM 587 O SER A 36 1.905 1.388 10.340 1.00 0.11 O ATOM 588 CB SER A 36 4.007 -1.138 10.436 1.00 0.13 C ATOM 589 OG SER A 36 2.952 -1.490 11.314 1.00 0.95 O ATOM 0 H SER A 36 5.523 -0.190 8.704 1.00 0.10 H new ATOM 0 HA SER A 36 2.708 -0.496 8.850 1.00 0.10 H new ATOM 0 HB2 SER A 36 4.364 -2.027 9.916 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.847 -0.746 11.010 1.00 0.13 H new ATOM 0 HG SER A 36 3.270 -2.159 11.955 1.00 0.95 H new ATOM 595 N GLY A 37 4.068 1.985 10.541 1.00 0.12 N ATOM 596 CA GLY A 37 3.756 3.216 11.241 1.00 0.13 C ATOM 597 C GLY A 37 2.868 4.131 10.423 1.00 0.12 C ATOM 598 O GLY A 37 2.369 5.138 10.926 1.00 0.15 O ATOM 0 H GLY A 37 5.063 1.818 10.391 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.262 2.981 12.184 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.682 3.736 11.488 1.00 0.13 H new ATOM 602 N THR A 38 2.672 3.779 9.155 1.00 0.08 N ATOM 603 CA THR A 38 1.838 4.569 8.265 1.00 0.08 C ATOM 604 C THR A 38 0.652 3.745 7.755 1.00 0.07 C ATOM 605 O THR A 38 0.839 2.655 7.223 1.00 0.08 O ATOM 606 CB THR A 38 2.650 5.091 7.064 1.00 0.09 C ATOM 607 OG1 THR A 38 3.841 5.742 7.525 1.00 0.11 O ATOM 608 CG2 THR A 38 1.825 6.069 6.244 1.00 0.11 C ATOM 0 H THR A 38 3.082 2.950 8.724 1.00 0.08 H new ATOM 0 HA THR A 38 1.465 5.419 8.837 1.00 0.08 H new ATOM 0 HB THR A 38 2.918 4.242 6.436 1.00 0.09 H new ATOM 0 HG1 THR A 38 4.094 6.447 6.893 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.416 6.426 5.401 1.00 0.11 H new ATOM 0 HG22 THR A 38 0.930 5.569 5.874 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.536 6.914 6.868 1.00 0.11 H new ATOM 616 N PRO A 39 -0.588 4.255 7.917 1.00 0.07 N ATOM 617 CA PRO A 39 -1.810 3.566 7.469 1.00 0.08 C ATOM 618 C PRO A 39 -1.884 3.466 5.958 1.00 0.07 C ATOM 619 O PRO A 39 -0.981 3.927 5.268 1.00 0.07 O ATOM 620 CB PRO A 39 -2.932 4.473 7.974 1.00 0.09 C ATOM 621 CG PRO A 39 -2.293 5.809 8.038 1.00 0.09 C ATOM 622 CD PRO A 39 -0.906 5.547 8.540 1.00 0.09 C ATOM 0 HA PRO A 39 -1.858 2.543 7.841 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.787 4.469 7.298 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.297 4.155 8.951 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.275 6.286 7.058 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.837 6.476 8.708 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.209 6.328 8.236 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.870 5.494 9.628 1.00 0.09 H new ATOM 630 N TRP A 40 -2.956 2.872 5.440 1.00 0.07 N ATOM 631 CA TRP A 40 -3.113 2.753 3.998 1.00 0.07 C ATOM 632 C TRP A 40 -3.436 4.108 3.397 1.00 0.07 C ATOM 633 O TRP A 40 -2.801 4.527 2.441 1.00 0.07 O ATOM 634 CB TRP A 40 -4.194 1.735 3.619 1.00 0.08 C ATOM 635 CG TRP A 40 -5.596 2.169 3.933 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.236 2.072 5.136 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.537 2.760 3.025 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.518 2.555 5.027 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.723 2.989 3.746 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.496 3.119 1.673 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.852 3.557 3.166 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.620 3.686 1.098 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.781 3.901 1.845 1.00 0.21 C ATOM 0 H TRP A 40 -3.717 2.472 5.989 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.168 2.391 3.593 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.122 1.528 2.551 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.992 0.799 4.139 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.799 1.674 6.040 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.206 2.585 5.780 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.603 2.956 1.088 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.753 3.721 3.739 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.599 3.967 0.055 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.641 4.349 1.369 1.00 0.21 H new ATOM 654 N ILE A 41 -4.408 4.802 3.983 1.00 0.08 N ATOM 655 CA ILE A 41 -4.816 6.109 3.489 1.00 0.09 C ATOM 656 C ILE A 41 -3.610 7.016 3.281 1.00 0.07 C ATOM 657 O ILE A 41 -3.634 7.914 2.440 1.00 0.08 O ATOM 658 CB ILE A 41 -5.811 6.796 4.446 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.614 7.861 3.698 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.082 7.411 5.635 1.00 0.12 C ATOM 661 CD1 ILE A 41 -8.077 7.510 3.547 1.00 0.45 C ATOM 0 H ILE A 41 -4.926 4.479 4.800 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.312 5.943 2.533 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.500 6.042 4.826 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.528 8.810 4.228 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.179 8.007 2.709 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.804 7.890 6.296 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.552 6.630 6.181 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.368 8.153 5.279 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.589 8.307 3.008 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -8.172 6.577 2.991 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.527 7.392 4.533 1.00 0.45 H new ATOM 673 N GLU A 42 -2.552 6.775 4.053 1.00 0.07 N ATOM 674 CA GLU A 42 -1.337 7.566 3.937 1.00 0.06 C ATOM 675 C GLU A 42 -0.334 6.832 3.058 1.00 0.06 C ATOM 676 O GLU A 42 0.400 7.446 2.283 1.00 0.07 O ATOM 677 CB GLU A 42 -0.739 7.850 5.313 1.00 0.07 C ATOM 678 CG GLU A 42 -1.535 8.855 6.128 1.00 0.09 C ATOM 679 CD GLU A 42 -0.835 9.249 7.414 1.00 1.13 C ATOM 680 OE1 GLU A 42 0.029 10.149 7.367 1.00 1.02 O ATOM 681 OE2 GLU A 42 -1.152 8.658 8.468 1.00 2.15 O ATOM 0 H GLU A 42 -2.515 6.041 4.761 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.582 8.523 3.477 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.671 6.916 5.870 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.278 8.221 5.188 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -1.711 9.747 5.527 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -2.512 8.433 6.365 1.00 0.09 H new ATOM 688 N LEU A 43 -0.318 5.510 3.190 1.00 0.06 N ATOM 689 CA LEU A 43 0.560 4.663 2.394 1.00 0.07 C ATOM 690 C LEU A 43 0.293 4.925 0.924 1.00 0.08 C ATOM 691 O LEU A 43 1.182 5.298 0.160 1.00 0.10 O ATOM 692 CB LEU A 43 0.282 3.193 2.704 1.00 0.08 C ATOM 693 CG LEU A 43 1.455 2.391 3.278 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.575 2.287 2.266 1.00 0.11 C ATOM 695 CD2 LEU A 43 1.966 3.022 4.556 1.00 0.09 C ATOM 0 H LEU A 43 -0.909 5.000 3.847 1.00 0.06 H new ATOM 0 HA LEU A 43 1.600 4.888 2.632 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.547 3.142 3.410 1.00 0.08 H new ATOM 0 HB3 LEU A 43 -0.050 2.706 1.787 1.00 0.08 H new ATOM 0 HG LEU A 43 1.095 1.388 3.507 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.399 1.714 2.692 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.210 1.786 1.370 1.00 0.11 H new ATOM 0 HD13 LEU A 43 2.924 3.286 2.006 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.798 2.435 4.944 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.303 4.038 4.351 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.165 3.048 5.295 1.00 0.09 H new ATOM 707 N ILE A 44 -0.961 4.715 0.554 1.00 0.09 N ATOM 708 CA ILE A 44 -1.433 4.930 -0.802 1.00 0.10 C ATOM 709 C ILE A 44 -1.183 6.364 -1.260 1.00 0.10 C ATOM 710 O ILE A 44 -1.294 6.675 -2.445 1.00 0.15 O ATOM 711 CB ILE A 44 -2.939 4.624 -0.892 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.750 5.655 -0.098 1.00 0.14 C ATOM 713 CG2 ILE A 44 -3.200 3.226 -0.359 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.218 5.713 -0.466 1.00 0.20 C ATOM 0 H ILE A 44 -1.685 4.388 1.194 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.878 4.257 -1.455 1.00 0.10 H new ATOM 0 HB ILE A 44 -3.251 4.679 -1.935 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.663 5.428 0.964 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.310 6.641 -0.250 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -4.266 3.006 -0.421 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.644 2.500 -0.953 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.877 3.167 0.680 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.716 6.468 0.143 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.319 5.972 -1.520 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.677 4.741 -0.286 1.00 0.20 H new ATOM 726 N TYR A 45 -0.851 7.238 -0.315 1.00 0.08 N ATOM 727 CA TYR A 45 -0.598 8.641 -0.631 1.00 0.08 C ATOM 728 C TYR A 45 0.899 8.959 -0.628 1.00 0.08 C ATOM 729 O TYR A 45 1.308 10.034 -1.068 1.00 0.10 O ATOM 730 CB TYR A 45 -1.334 9.551 0.357 1.00 0.10 C ATOM 731 CG TYR A 45 -2.779 9.851 -0.014 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.510 9.012 -0.855 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.414 10.978 0.494 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.828 9.293 -1.176 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.728 11.264 0.175 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.430 10.419 -0.659 1.00 0.16 C ATOM 737 OH TYR A 45 -6.739 10.702 -0.975 1.00 0.19 O ATOM 0 H TYR A 45 -0.751 7.002 0.672 1.00 0.08 H new ATOM 0 HA TYR A 45 -0.976 8.826 -1.637 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.315 9.086 1.343 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.790 10.492 0.438 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -3.041 8.129 -1.263 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -2.871 11.642 1.150 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.381 8.633 -1.828 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.204 12.146 0.577 1.00 0.18 H new ATOM 0 HH TYR A 45 -7.012 11.530 -0.528 1.00 0.19 H new ATOM 747 N LEU A 46 1.714 8.028 -0.130 1.00 0.08 N ATOM 748 CA LEU A 46 3.162 8.222 -0.093 1.00 0.09 C ATOM 749 C LEU A 46 3.728 8.347 -1.499 1.00 0.09 C ATOM 750 O LEU A 46 2.996 8.534 -2.470 1.00 0.11 O ATOM 751 CB LEU A 46 3.861 7.041 0.583 1.00 0.10 C ATOM 752 CG LEU A 46 3.359 6.640 1.960 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.233 5.523 2.491 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.372 7.822 2.920 1.00 0.12 C ATOM 0 H LEU A 46 1.397 7.137 0.251 1.00 0.08 H new ATOM 0 HA LEU A 46 3.342 9.137 0.472 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.776 6.175 -0.074 1.00 0.10 H new ATOM 0 HB3 LEU A 46 4.922 7.276 0.664 1.00 0.10 H new ATOM 0 HG LEU A 46 2.327 6.299 1.876 1.00 0.11 H new ATOM 0 HD11 LEU A 46 3.883 5.226 3.480 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.182 4.669 1.816 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.264 5.869 2.560 1.00 0.14 H new ATOM 0 HD21 LEU A 46 3.007 7.502 3.896 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.390 8.199 3.019 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.728 8.612 2.533 1.00 0.12 H new ATOM 766 N ASP A 47 5.046 8.227 -1.587 1.00 0.09 N ATOM 767 CA ASP A 47 5.745 8.295 -2.862 1.00 0.10 C ATOM 768 C ASP A 47 7.060 7.538 -2.768 1.00 0.10 C ATOM 769 O ASP A 47 7.465 7.126 -1.682 1.00 0.16 O ATOM 770 CB ASP A 47 6.009 9.748 -3.265 1.00 0.11 C ATOM 771 CG ASP A 47 4.733 10.541 -3.467 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.240 11.133 -2.483 1.00 0.96 O ATOM 773 OD2 ASP A 47 4.227 10.572 -4.607 1.00 1.31 O ATOM 0 H ASP A 47 5.656 8.081 -0.783 1.00 0.09 H new ATOM 0 HA ASP A 47 5.115 7.838 -3.625 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.613 10.230 -2.496 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.592 9.765 -4.186 1.00 0.11 H new ATOM 778 N ASP A 48 7.718 7.348 -3.903 1.00 0.12 N ATOM 779 CA ASP A 48 8.987 6.655 -3.936 1.00 0.14 C ATOM 780 C ASP A 48 9.926 7.244 -2.893 1.00 0.14 C ATOM 781 O ASP A 48 10.657 6.528 -2.209 1.00 0.21 O ATOM 782 CB ASP A 48 9.594 6.787 -5.326 1.00 0.17 C ATOM 783 CG ASP A 48 9.361 8.156 -5.934 1.00 1.06 C ATOM 784 OD1 ASP A 48 10.138 9.083 -5.624 1.00 1.65 O ATOM 785 OD2 ASP A 48 8.402 8.300 -6.721 1.00 1.73 O ATOM 0 H ASP A 48 7.388 7.668 -4.814 1.00 0.12 H new ATOM 0 HA ASP A 48 8.834 5.600 -3.709 1.00 0.14 H new ATOM 0 HB2 ASP A 48 10.666 6.595 -5.271 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.167 6.026 -5.979 1.00 0.17 H new ATOM 790 N GLU A 49 9.883 8.564 -2.786 1.00 0.14 N ATOM 791 CA GLU A 49 10.707 9.294 -1.826 1.00 0.16 C ATOM 792 C GLU A 49 10.373 8.902 -0.392 1.00 0.13 C ATOM 793 O GLU A 49 11.239 8.426 0.338 1.00 0.19 O ATOM 794 CB GLU A 49 10.524 10.804 -1.990 1.00 0.23 C ATOM 795 CG GLU A 49 11.285 11.628 -0.956 1.00 0.37 C ATOM 796 CD GLU A 49 11.039 13.116 -1.105 1.00 0.46 C ATOM 797 OE1 GLU A 49 11.782 13.767 -1.872 1.00 0.51 O ATOM 798 OE2 GLU A 49 10.104 13.632 -0.458 1.00 0.52 O ATOM 0 H GLU A 49 9.281 9.158 -3.356 1.00 0.14 H new ATOM 0 HA GLU A 49 11.745 9.030 -2.029 1.00 0.16 H new ATOM 0 HB2 GLU A 49 10.853 11.095 -2.988 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.463 11.042 -1.922 1.00 0.23 H new ATOM 0 HG2 GLU A 49 10.989 11.312 0.045 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.352 11.428 -1.051 1.00 0.37 H new ATOM 805 N THR A 50 9.114 9.093 0.005 1.00 0.11 N ATOM 806 CA THR A 50 8.690 8.782 1.362 1.00 0.10 C ATOM 807 C THR A 50 9.110 7.378 1.756 1.00 0.09 C ATOM 808 O THR A 50 9.682 7.173 2.821 1.00 0.13 O ATOM 809 CB THR A 50 7.170 8.910 1.531 1.00 0.12 C ATOM 810 OG1 THR A 50 6.743 10.232 1.182 1.00 0.19 O ATOM 811 CG2 THR A 50 6.772 8.602 2.964 1.00 0.14 C ATOM 0 H THR A 50 8.376 9.461 -0.595 1.00 0.11 H new ATOM 0 HA THR A 50 9.178 9.508 2.012 1.00 0.10 H new ATOM 0 HB THR A 50 6.686 8.194 0.867 1.00 0.12 H new ATOM 0 HG1 THR A 50 5.772 10.302 1.292 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.691 8.697 3.070 1.00 0.14 H new ATOM 0 HG22 THR A 50 7.074 7.585 3.215 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.265 9.303 3.637 1.00 0.14 H new ATOM 819 N LEU A 51 8.835 6.423 0.877 1.00 0.09 N ATOM 820 CA LEU A 51 9.183 5.032 1.117 1.00 0.11 C ATOM 821 C LEU A 51 10.643 4.918 1.529 1.00 0.11 C ATOM 822 O LEU A 51 10.985 4.155 2.430 1.00 0.14 O ATOM 823 CB LEU A 51 8.900 4.222 -0.142 1.00 0.12 C ATOM 824 CG LEU A 51 7.413 3.976 -0.405 1.00 0.16 C ATOM 825 CD1 LEU A 51 7.192 3.443 -1.809 1.00 0.89 C ATOM 826 CD2 LEU A 51 6.849 3.014 0.631 1.00 0.74 C ATOM 0 H LEU A 51 8.368 6.590 -0.014 1.00 0.09 H new ATOM 0 HA LEU A 51 8.578 4.636 1.932 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.329 4.741 -0.999 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.408 3.261 -0.065 1.00 0.12 H new ATOM 0 HG LEU A 51 6.886 4.927 -0.321 1.00 0.16 H new ATOM 0 HD11 LEU A 51 6.127 3.276 -1.971 1.00 0.89 H new ATOM 0 HD12 LEU A 51 7.561 4.167 -2.535 1.00 0.89 H new ATOM 0 HD13 LEU A 51 7.729 2.502 -1.930 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.790 2.847 0.434 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.383 2.065 0.575 1.00 0.74 H new ATOM 0 HD23 LEU A 51 6.969 3.440 1.627 1.00 0.74 H new ATOM 838 N GLU A 52 11.499 5.684 0.864 1.00 0.10 N ATOM 839 CA GLU A 52 12.918 5.707 1.198 1.00 0.13 C ATOM 840 C GLU A 52 13.074 6.208 2.614 1.00 0.13 C ATOM 841 O GLU A 52 13.797 5.639 3.432 1.00 0.16 O ATOM 842 CB GLU A 52 13.661 6.659 0.269 1.00 0.16 C ATOM 843 CG GLU A 52 15.161 6.709 0.517 1.00 0.33 C ATOM 844 CD GLU A 52 15.837 7.845 -0.229 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.146 7.666 -1.426 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.057 8.911 0.383 1.00 0.52 O ATOM 0 H GLU A 52 11.236 6.296 0.092 1.00 0.10 H new ATOM 0 HA GLU A 52 13.326 4.702 1.092 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.482 6.358 -0.763 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.249 7.661 0.385 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.346 6.820 1.586 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.608 5.762 0.213 1.00 0.33 H new ATOM 853 N LYS A 53 12.372 7.295 2.865 1.00 0.13 N ATOM 854 CA LYS A 53 12.381 7.950 4.168 1.00 0.16 C ATOM 855 C LYS A 53 12.019 6.963 5.277 1.00 0.18 C ATOM 856 O LYS A 53 12.493 7.086 6.407 1.00 0.25 O ATOM 857 CB LYS A 53 11.416 9.133 4.159 1.00 0.17 C ATOM 858 CG LYS A 53 11.569 10.004 2.923 1.00 0.42 C ATOM 859 CD LYS A 53 12.746 10.954 3.049 1.00 0.60 C ATOM 860 CE LYS A 53 12.417 12.094 3.987 1.00 1.54 C ATOM 861 NZ LYS A 53 11.928 13.296 3.256 1.00 2.19 N ATOM 0 H LYS A 53 11.777 7.753 2.174 1.00 0.13 H new ATOM 0 HA LYS A 53 13.387 8.318 4.368 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.392 8.762 4.213 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.583 9.740 5.049 1.00 0.17 H new ATOM 0 HG2 LYS A 53 11.704 9.371 2.046 1.00 0.42 H new ATOM 0 HG3 LYS A 53 10.655 10.576 2.765 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.618 10.413 3.418 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.008 11.349 2.067 1.00 0.60 H new ATOM 0 HE2 LYS A 53 11.658 11.770 4.699 1.00 1.54 H new ATOM 0 HE3 LYS A 53 13.304 12.356 4.563 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 11.714 14.053 3.936 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 12.661 13.622 2.594 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 11.067 13.053 2.726 1.00 2.19 H new ATOM 875 N LYS A 54 11.178 5.984 4.945 1.00 0.13 N ATOM 876 CA LYS A 54 10.767 4.966 5.906 1.00 0.16 C ATOM 877 C LYS A 54 11.871 3.935 6.074 1.00 0.17 C ATOM 878 O LYS A 54 12.340 3.665 7.180 1.00 0.21 O ATOM 879 CB LYS A 54 9.501 4.261 5.422 1.00 0.16 C ATOM 880 CG LYS A 54 8.582 5.166 4.628 1.00 0.25 C ATOM 881 CD LYS A 54 8.101 6.320 5.479 1.00 0.39 C ATOM 882 CE LYS A 54 6.625 6.185 5.763 1.00 0.30 C ATOM 883 NZ LYS A 54 5.816 6.249 4.538 1.00 1.20 N ATOM 0 H LYS A 54 10.769 5.876 4.017 1.00 0.13 H new ATOM 0 HA LYS A 54 10.569 5.454 6.860 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.781 3.407 4.805 1.00 0.16 H new ATOM 0 HB3 LYS A 54 8.959 3.869 6.283 1.00 0.16 H new ATOM 0 HG2 LYS A 54 9.107 5.548 3.752 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.728 4.596 4.264 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.657 6.346 6.416 1.00 0.39 H new ATOM 0 HD3 LYS A 54 8.295 7.263 4.967 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.439 5.238 6.270 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.314 6.977 6.444 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 5.109 5.486 4.549 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 5.333 7.169 4.489 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 6.433 6.137 3.708 1.00 1.20 H new ATOM 897 N GLY A 55 12.270 3.369 4.945 1.00 0.19 N ATOM 898 CA GLY A 55 13.306 2.360 4.917 1.00 0.23 C ATOM 899 C GLY A 55 13.367 1.678 3.566 1.00 0.25 C ATOM 900 O GLY A 55 14.349 1.014 3.234 1.00 0.38 O ATOM 0 H GLY A 55 11.884 3.598 4.029 1.00 0.19 H new ATOM 0 HA2 GLY A 55 14.270 2.818 5.141 1.00 0.23 H new ATOM 0 HA3 GLY A 55 13.117 1.619 5.694 1.00 0.23 H new ATOM 904 N VAL A 56 12.300 1.847 2.791 1.00 0.17 N ATOM 905 CA VAL A 56 12.210 1.277 1.454 1.00 0.21 C ATOM 906 C VAL A 56 13.176 2.001 0.524 1.00 0.40 C ATOM 907 O VAL A 56 12.817 2.989 -0.111 1.00 0.89 O ATOM 908 CB VAL A 56 10.775 1.399 0.901 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.564 0.476 -0.288 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.749 1.114 1.990 1.00 0.17 C ATOM 0 H VAL A 56 11.477 2.381 3.072 1.00 0.17 H new ATOM 0 HA VAL A 56 12.472 0.220 1.511 1.00 0.21 H new ATOM 0 HB VAL A 56 10.637 2.425 0.559 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.544 0.584 -0.656 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.265 0.737 -1.081 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.732 -0.556 0.019 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.745 1.206 1.577 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.894 0.103 2.370 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.874 1.829 2.803 1.00 0.17 H new ATOM 920 N LEU A 57 14.403 1.500 0.457 1.00 0.21 N ATOM 921 CA LEU A 57 15.448 2.111 -0.359 1.00 0.26 C ATOM 922 C LEU A 57 15.486 1.543 -1.776 1.00 0.36 C ATOM 923 O LEU A 57 15.896 2.228 -2.714 1.00 0.83 O ATOM 924 CB LEU A 57 16.804 1.906 0.322 1.00 0.34 C ATOM 925 CG LEU A 57 17.160 2.904 1.438 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.916 3.568 2.014 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.932 2.202 2.545 1.00 0.55 C ATOM 0 H LEU A 57 14.702 0.666 0.962 1.00 0.21 H new ATOM 0 HA LEU A 57 15.224 3.174 -0.446 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.829 0.900 0.741 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.581 1.953 -0.441 1.00 0.34 H new ATOM 0 HG LEU A 57 17.784 3.682 0.999 1.00 0.37 H new ATOM 0 HD11 LEU A 57 16.207 4.266 2.799 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.393 4.107 1.224 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.257 2.806 2.431 1.00 0.24 H new ATOM 0 HD21 LEU A 57 18.178 2.919 3.328 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.321 1.402 2.964 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.851 1.781 2.137 1.00 0.55 H new ATOM 939 N ALA A 58 15.060 0.296 -1.928 1.00 0.21 N ATOM 940 CA ALA A 58 15.058 -0.360 -3.231 1.00 0.17 C ATOM 941 C ALA A 58 14.232 0.400 -4.250 1.00 0.13 C ATOM 942 O ALA A 58 13.008 0.440 -4.157 1.00 0.12 O ATOM 943 CB ALA A 58 14.521 -1.772 -3.105 1.00 0.18 C ATOM 0 H ALA A 58 14.711 -0.283 -1.164 1.00 0.21 H new ATOM 0 HA ALA A 58 16.090 -0.382 -3.581 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.524 -2.251 -4.084 1.00 0.18 H new ATOM 0 HB2 ALA A 58 15.150 -2.341 -2.420 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.502 -1.741 -2.720 1.00 0.18 H new ATOM 949 N LEU A 59 14.907 1.001 -5.225 1.00 0.14 N ATOM 950 CA LEU A 59 14.218 1.724 -6.281 1.00 0.13 C ATOM 951 C LEU A 59 13.186 0.806 -6.901 1.00 0.12 C ATOM 952 O LEU A 59 12.169 1.248 -7.429 1.00 0.14 O ATOM 953 CB LEU A 59 15.206 2.200 -7.349 1.00 0.15 C ATOM 954 CG LEU A 59 15.940 3.503 -7.033 1.00 0.19 C ATOM 955 CD1 LEU A 59 14.990 4.683 -7.132 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.564 3.441 -5.653 1.00 0.27 C ATOM 0 H LEU A 59 15.924 1.000 -5.303 1.00 0.14 H new ATOM 0 HA LEU A 59 13.732 2.604 -5.859 1.00 0.13 H new ATOM 0 HB2 LEU A 59 15.946 1.416 -7.509 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.667 2.326 -8.288 1.00 0.15 H new ATOM 0 HG LEU A 59 16.736 3.636 -7.765 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.528 5.603 -6.904 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.585 4.740 -8.142 1.00 0.24 H new ATOM 0 HD13 LEU A 59 14.174 4.554 -6.421 1.00 0.24 H new ATOM 0 HD21 LEU A 59 17.082 4.377 -5.446 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.784 3.285 -4.908 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.275 2.616 -5.612 1.00 0.27 H new ATOM 968 N GLY A 60 13.477 -0.487 -6.834 1.00 0.12 N ATOM 969 CA GLY A 60 12.577 -1.478 -7.363 1.00 0.12 C ATOM 970 C GLY A 60 11.368 -1.685 -6.475 1.00 0.11 C ATOM 971 O GLY A 60 10.254 -1.827 -6.964 1.00 0.14 O ATOM 0 H GLY A 60 14.329 -0.863 -6.418 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.248 -1.174 -8.357 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.107 -2.423 -7.478 1.00 0.12 H new ATOM 975 N ALA A 61 11.598 -1.714 -5.164 1.00 0.10 N ATOM 976 CA ALA A 61 10.527 -1.917 -4.191 1.00 0.10 C ATOM 977 C ALA A 61 9.647 -0.681 -4.001 1.00 0.11 C ATOM 978 O ALA A 61 8.428 -0.757 -4.149 1.00 0.16 O ATOM 979 CB ALA A 61 11.109 -2.351 -2.856 1.00 0.13 C ATOM 0 H ALA A 61 12.523 -1.599 -4.749 1.00 0.10 H new ATOM 0 HA ALA A 61 9.886 -2.702 -4.591 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.302 -2.499 -2.138 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.657 -3.285 -2.984 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.786 -1.581 -2.487 1.00 0.13 H new ATOM 985 N ARG A 62 10.261 0.455 -3.664 1.00 0.14 N ATOM 986 CA ARG A 62 9.507 1.679 -3.414 1.00 0.16 C ATOM 987 C ARG A 62 8.762 2.169 -4.641 1.00 0.11 C ATOM 988 O ARG A 62 7.534 2.255 -4.631 1.00 0.11 O ATOM 989 CB ARG A 62 10.412 2.785 -2.858 1.00 0.23 C ATOM 990 CG ARG A 62 11.580 3.192 -3.743 1.00 0.32 C ATOM 991 CD ARG A 62 12.629 3.950 -2.936 1.00 0.23 C ATOM 992 NE ARG A 62 13.724 4.461 -3.767 1.00 0.21 N ATOM 993 CZ ARG A 62 14.768 5.120 -3.273 1.00 0.46 C ATOM 994 NH1 ARG A 62 14.939 5.200 -1.965 1.00 0.81 N ATOM 995 NH2 ARG A 62 15.659 5.674 -4.082 1.00 0.48 N ATOM 0 H ARG A 62 11.271 0.550 -3.559 1.00 0.14 H new ATOM 0 HA ARG A 62 8.758 1.429 -2.663 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.801 3.667 -2.667 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.806 2.457 -1.896 1.00 0.23 H new ATOM 0 HG2 ARG A 62 12.029 2.306 -4.191 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.222 3.817 -4.561 1.00 0.32 H new ATOM 0 HD2 ARG A 62 12.152 4.783 -2.419 1.00 0.23 H new ATOM 0 HD3 ARG A 62 13.037 3.291 -2.170 1.00 0.23 H new ATOM 0 HE ARG A 62 13.683 4.303 -4.774 1.00 0.21 H new ATOM 0 HH11 ARG A 62 14.270 4.756 -1.335 1.00 0.81 H new ATOM 0 HH12 ARG A 62 15.740 5.705 -1.585 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.547 5.597 -5.093 1.00 0.48 H new ATOM 0 HH22 ARG A 62 16.457 6.178 -3.694 1.00 0.48 H new ATOM 1009 N ARG A 63 9.497 2.507 -5.685 1.00 0.12 N ATOM 1010 CA ARG A 63 8.882 2.984 -6.915 1.00 0.13 C ATOM 1011 C ARG A 63 7.771 2.028 -7.343 1.00 0.12 C ATOM 1012 O ARG A 63 6.855 2.407 -8.071 1.00 0.14 O ATOM 1013 CB ARG A 63 9.918 3.111 -8.029 1.00 0.16 C ATOM 1014 CG ARG A 63 10.984 4.159 -7.755 1.00 0.79 C ATOM 1015 CD ARG A 63 12.024 4.194 -8.863 1.00 0.75 C ATOM 1016 NE ARG A 63 11.429 4.475 -10.167 1.00 1.33 N ATOM 1017 CZ ARG A 63 12.059 4.285 -11.322 1.00 1.56 C ATOM 1018 NH1 ARG A 63 13.300 3.816 -11.335 1.00 1.33 N ATOM 1019 NH2 ARG A 63 11.449 4.562 -12.466 1.00 2.47 N ATOM 0 H ARG A 63 10.516 2.461 -5.708 1.00 0.12 H new ATOM 0 HA ARG A 63 8.459 3.971 -6.728 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.400 2.145 -8.176 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.409 3.358 -8.960 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.517 5.139 -7.661 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.471 3.945 -6.803 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.771 4.954 -8.635 1.00 0.75 H new ATOM 0 HD3 ARG A 63 12.545 3.237 -8.901 1.00 0.75 H new ATOM 0 HE ARG A 63 10.476 4.838 -10.193 1.00 1.33 H new ATOM 0 HH11 ARG A 63 13.773 3.600 -10.457 1.00 1.33 H new ATOM 0 HH12 ARG A 63 13.781 3.671 -12.223 1.00 1.33 H new ATOM 0 HH21 ARG A 63 10.495 4.922 -12.461 1.00 2.47 H new ATOM 0 HH22 ARG A 63 11.934 4.416 -13.351 1.00 2.47 H new ATOM 1033 N LYS A 64 7.868 0.779 -6.880 1.00 0.10 N ATOM 1034 CA LYS A 64 6.871 -0.239 -7.196 1.00 0.13 C ATOM 1035 C LYS A 64 5.633 -0.073 -6.326 1.00 0.11 C ATOM 1036 O LYS A 64 4.514 -0.248 -6.797 1.00 0.12 O ATOM 1037 CB LYS A 64 7.453 -1.635 -6.996 1.00 0.18 C ATOM 1038 CG LYS A 64 6.478 -2.758 -7.304 1.00 0.76 C ATOM 1039 CD LYS A 64 6.189 -2.854 -8.794 1.00 1.33 C ATOM 1040 CE LYS A 64 5.218 -3.982 -9.104 1.00 1.80 C ATOM 1041 NZ LYS A 64 4.985 -4.129 -10.567 1.00 2.52 N ATOM 0 H LYS A 64 8.629 0.451 -6.285 1.00 0.10 H new ATOM 0 HA LYS A 64 6.585 -0.116 -8.241 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.332 -1.746 -7.631 1.00 0.18 H new ATOM 0 HB3 LYS A 64 7.791 -1.733 -5.964 1.00 0.18 H new ATOM 0 HG2 LYS A 64 6.888 -3.704 -6.950 1.00 0.76 H new ATOM 0 HG3 LYS A 64 5.547 -2.592 -6.762 1.00 0.76 H new ATOM 0 HD2 LYS A 64 5.775 -1.909 -9.146 1.00 1.33 H new ATOM 0 HD3 LYS A 64 7.121 -3.016 -9.336 1.00 1.33 H new ATOM 0 HE2 LYS A 64 5.608 -4.917 -8.703 1.00 1.80 H new ATOM 0 HE3 LYS A 64 4.269 -3.792 -8.603 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 4.116 -4.677 -10.727 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 4.885 -3.188 -10.999 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 5.791 -4.624 -10.999 1.00 2.52 H new ATOM 1055 N LEU A 65 5.842 0.240 -5.050 1.00 0.11 N ATOM 1056 CA LEU A 65 4.732 0.440 -4.129 1.00 0.11 C ATOM 1057 C LEU A 65 3.790 1.508 -4.659 1.00 0.08 C ATOM 1058 O LEU A 65 2.607 1.536 -4.321 1.00 0.09 O ATOM 1059 CB LEU A 65 5.250 0.839 -2.753 1.00 0.13 C ATOM 1060 CG LEU A 65 5.393 -0.318 -1.773 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.678 -0.184 -0.982 1.00 0.22 C ATOM 1062 CD2 LEU A 65 4.192 -0.380 -0.844 1.00 0.23 C ATOM 0 H LEU A 65 6.766 0.360 -4.634 1.00 0.11 H new ATOM 0 HA LEU A 65 4.185 -0.499 -4.040 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.220 1.322 -2.870 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.575 1.580 -2.325 1.00 0.13 H new ATOM 0 HG LEU A 65 5.434 -1.249 -2.338 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.766 -1.018 -0.286 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.528 -0.190 -1.665 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.667 0.753 -0.425 1.00 0.22 H new ATOM 0 HD21 LEU A 65 4.311 -1.213 -0.151 1.00 0.23 H new ATOM 0 HD22 LEU A 65 4.117 0.552 -0.283 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.285 -0.524 -1.431 1.00 0.23 H new ATOM 1074 N LEU A 66 4.332 2.387 -5.495 1.00 0.08 N ATOM 1075 CA LEU A 66 3.550 3.460 -6.092 1.00 0.09 C ATOM 1076 C LEU A 66 2.454 2.886 -6.979 1.00 0.11 C ATOM 1077 O LEU A 66 1.485 3.568 -7.311 1.00 0.14 O ATOM 1078 CB LEU A 66 4.457 4.397 -6.889 1.00 0.11 C ATOM 1079 CG LEU A 66 5.166 5.462 -6.051 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.568 5.715 -6.577 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.359 6.752 -6.038 1.00 0.14 C ATOM 0 H LEU A 66 5.313 2.376 -5.774 1.00 0.08 H new ATOM 0 HA LEU A 66 3.079 4.035 -5.295 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.209 3.801 -7.406 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.861 4.893 -7.655 1.00 0.11 H new ATOM 0 HG LEU A 66 5.248 5.095 -5.028 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.054 6.476 -5.966 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.145 4.791 -6.533 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.513 6.060 -7.610 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.877 7.499 -5.437 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.246 7.121 -7.058 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.375 6.561 -5.610 1.00 0.14 H new ATOM 1093 N LYS A 67 2.619 1.622 -7.361 1.00 0.12 N ATOM 1094 CA LYS A 67 1.633 0.939 -8.183 1.00 0.16 C ATOM 1095 C LYS A 67 0.448 0.549 -7.326 1.00 0.14 C ATOM 1096 O LYS A 67 -0.705 0.640 -7.745 1.00 0.16 O ATOM 1097 CB LYS A 67 2.226 -0.295 -8.836 1.00 0.22 C ATOM 1098 CG LYS A 67 3.013 0.056 -10.078 1.00 0.84 C ATOM 1099 CD LYS A 67 2.727 -0.888 -11.232 1.00 1.26 C ATOM 1100 CE LYS A 67 1.237 -1.038 -11.502 1.00 1.56 C ATOM 1101 NZ LYS A 67 0.965 -1.997 -12.608 1.00 2.20 N ATOM 0 H LYS A 67 3.428 1.053 -7.112 1.00 0.12 H new ATOM 0 HA LYS A 67 1.311 1.617 -8.973 1.00 0.16 H new ATOM 0 HB2 LYS A 67 2.875 -0.807 -8.126 1.00 0.22 H new ATOM 0 HB3 LYS A 67 1.427 -0.990 -9.095 1.00 0.22 H new ATOM 0 HG2 LYS A 67 2.775 1.076 -10.379 1.00 0.84 H new ATOM 0 HG3 LYS A 67 4.078 0.032 -9.848 1.00 0.84 H new ATOM 0 HD2 LYS A 67 3.221 -0.519 -12.131 1.00 1.26 H new ATOM 0 HD3 LYS A 67 3.154 -1.866 -11.012 1.00 1.26 H new ATOM 0 HE2 LYS A 67 0.737 -1.379 -10.595 1.00 1.56 H new ATOM 0 HE3 LYS A 67 0.814 -0.065 -11.753 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 -0.061 -2.070 -12.760 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 1.421 -1.660 -13.480 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 1.345 -2.932 -12.358 1.00 2.20 H new ATOM 1115 N ALA A 68 0.755 0.117 -6.107 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.269 -0.290 -5.160 1.00 0.14 C ATOM 1117 C ALA A 68 -1.016 0.927 -4.633 1.00 0.13 C ATOM 1118 O ALA A 68 -2.233 0.899 -4.468 1.00 0.23 O ATOM 1119 CB ALA A 68 0.353 -1.078 -4.013 1.00 0.17 C ATOM 0 H ALA A 68 1.709 0.041 -5.754 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.982 -0.935 -5.673 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.426 -1.376 -3.312 1.00 0.17 H new ATOM 0 HB2 ALA A 68 0.846 -1.967 -4.407 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.085 -0.455 -3.499 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.273 1.999 -4.393 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.839 3.236 -3.878 1.00 0.11 C ATOM 1127 C PHE A 69 -1.988 3.744 -4.746 1.00 0.10 C ATOM 1128 O PHE A 69 -3.002 4.211 -4.231 1.00 0.12 O ATOM 1129 CB PHE A 69 0.251 4.309 -3.805 1.00 0.11 C ATOM 1130 CG PHE A 69 1.362 4.021 -2.825 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.259 2.993 -1.896 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.510 4.797 -2.828 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.277 2.750 -0.997 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.533 4.554 -1.931 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.415 3.529 -1.013 1.00 0.12 C ATOM 0 H PHE A 69 0.734 2.035 -4.549 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.235 3.028 -2.884 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.685 4.434 -4.797 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.212 5.259 -3.538 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.372 2.377 -1.877 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.607 5.603 -3.541 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.183 1.948 -0.279 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.423 5.165 -1.948 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.212 3.338 -0.309 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.823 3.647 -6.061 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.844 4.130 -6.973 1.00 0.13 C ATOM 1147 C GLY A 70 -4.074 3.252 -7.036 1.00 0.13 C ATOM 1148 O GLY A 70 -5.195 3.741 -6.897 1.00 0.13 O ATOM 0 H GLY A 70 -1.002 3.243 -6.511 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.141 5.134 -6.671 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.416 4.211 -7.972 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.874 1.959 -7.250 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.989 1.026 -7.338 1.00 0.15 C ATOM 1154 C ILE A 71 -5.876 1.123 -6.103 1.00 0.13 C ATOM 1155 O ILE A 71 -7.094 0.971 -6.190 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.489 -0.421 -7.498 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.540 -0.514 -8.693 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.666 -1.368 -7.676 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.516 -1.616 -8.564 1.00 0.25 C ATOM 0 H ILE A 71 -2.954 1.533 -7.365 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.572 1.297 -8.218 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.948 -0.712 -6.598 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -4.124 -0.676 -9.599 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -3.024 0.439 -8.812 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.299 -2.388 -7.788 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.315 -1.310 -6.802 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -6.229 -1.085 -8.565 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.877 -1.624 -9.447 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.907 -1.445 -7.676 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -3.024 -2.576 -8.476 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.257 1.379 -4.956 1.00 0.11 N ATOM 1172 CA VAL A 72 -6.000 1.508 -3.706 1.00 0.11 C ATOM 1173 C VAL A 72 -6.803 2.799 -3.704 1.00 0.12 C ATOM 1174 O VAL A 72 -7.976 2.818 -3.337 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.067 1.506 -2.481 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.873 1.585 -1.191 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.168 0.280 -2.485 1.00 0.12 C ATOM 0 H VAL A 72 -4.248 1.501 -4.865 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.665 0.647 -3.639 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.430 2.389 -2.538 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.195 1.582 -0.338 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.461 2.503 -1.185 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.541 0.726 -1.126 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.519 0.302 -1.610 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.781 -0.621 -2.459 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.559 0.279 -3.389 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.145 3.877 -4.119 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.764 5.191 -4.174 1.00 0.16 C ATOM 1189 C ILE A 73 -8.027 5.179 -5.028 1.00 0.19 C ATOM 1190 O ILE A 73 -9.066 5.676 -4.611 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.772 6.237 -4.732 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.766 6.640 -3.655 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.516 7.455 -5.253 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.606 7.456 -4.178 1.00 0.16 C ATOM 0 H ILE A 73 -5.172 3.862 -4.425 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.040 5.462 -3.155 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.228 5.790 -5.564 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.283 7.212 -2.885 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.379 5.740 -3.178 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -5.801 8.180 -5.641 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.196 7.153 -6.050 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.086 7.907 -4.442 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -2.935 7.704 -3.355 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.064 6.879 -4.927 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -3.981 8.374 -4.629 1.00 0.16 H new ATOM 1206 N ASP A 74 -7.917 4.631 -6.231 1.00 0.18 N ATOM 1207 CA ASP A 74 -9.049 4.549 -7.152 1.00 0.21 C ATOM 1208 C ASP A 74 -10.251 3.866 -6.500 1.00 0.19 C ATOM 1209 O ASP A 74 -11.320 4.464 -6.394 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.648 3.794 -8.421 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.780 3.716 -9.427 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -10.566 2.748 -9.364 1.00 0.55 O ATOM 1213 OD2 ASP A 74 -9.880 4.624 -10.279 1.00 0.61 O ATOM 0 H ASP A 74 -7.051 4.234 -6.596 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.337 5.567 -7.414 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.791 4.288 -8.879 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.330 2.786 -8.156 1.00 0.26 H new ATOM 1218 N TYR A 75 -10.084 2.610 -6.079 1.00 0.20 N ATOM 1219 CA TYR A 75 -11.173 1.881 -5.433 1.00 0.25 C ATOM 1220 C TYR A 75 -11.663 2.655 -4.218 1.00 0.27 C ATOM 1221 O TYR A 75 -12.841 2.618 -3.877 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.729 0.463 -5.047 1.00 0.31 C ATOM 1223 CG TYR A 75 -11.019 -0.582 -6.115 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.353 -0.209 -7.412 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -10.963 -1.940 -5.825 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -11.620 -1.151 -8.384 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -11.228 -2.892 -6.793 1.00 1.41 C ATOM 1228 CZ TYR A 75 -11.555 -2.492 -8.071 1.00 0.99 C ATOM 1229 OH TYR A 75 -11.821 -3.435 -9.037 1.00 1.24 O ATOM 0 H TYR A 75 -9.215 2.084 -6.173 1.00 0.20 H new ATOM 0 HA TYR A 75 -11.999 1.784 -6.138 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.659 0.471 -4.840 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -11.230 0.174 -4.123 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -11.405 0.840 -7.664 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -10.708 -2.258 -4.825 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -11.879 -0.839 -9.385 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -11.179 -3.943 -6.549 1.00 1.41 H new ATOM 0 HH TYR A 75 -11.730 -4.332 -8.652 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.742 3.358 -3.575 1.00 0.24 N ATOM 1240 CA LYS A 76 -11.076 4.184 -2.425 1.00 0.30 C ATOM 1241 C LYS A 76 -11.918 5.364 -2.899 1.00 0.37 C ATOM 1242 O LYS A 76 -12.840 5.813 -2.221 1.00 0.51 O ATOM 1243 CB LYS A 76 -9.785 4.672 -1.756 1.00 0.29 C ATOM 1244 CG LYS A 76 -9.955 5.880 -0.852 1.00 0.40 C ATOM 1245 CD LYS A 76 -9.118 7.043 -1.353 1.00 0.43 C ATOM 1246 CE LYS A 76 -8.240 7.617 -0.254 1.00 0.75 C ATOM 1247 NZ LYS A 76 -9.048 8.252 0.822 1.00 1.66 N ATOM 0 H LYS A 76 -9.755 3.372 -3.831 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.646 3.609 -1.695 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.364 3.854 -1.171 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.060 4.916 -2.532 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -11.005 6.169 -0.816 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -9.660 5.624 0.166 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -8.493 6.711 -2.182 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.773 7.823 -1.740 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.626 6.824 0.172 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.559 8.354 -0.680 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -8.460 8.936 1.340 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -9.862 8.744 0.401 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -9.388 7.520 1.478 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.579 5.847 -4.087 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.266 6.961 -4.713 1.00 0.36 C ATOM 1263 C GLU A 77 -13.616 6.521 -5.275 1.00 0.34 C ATOM 1264 O GLU A 77 -14.525 7.332 -5.452 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.386 7.527 -5.827 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.309 8.474 -5.326 1.00 0.49 C ATOM 1267 CD GLU A 77 -10.485 9.887 -5.848 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -10.026 10.163 -6.977 1.00 1.16 O ATOM 1269 OE2 GLU A 77 -11.081 10.716 -5.130 1.00 1.09 O ATOM 0 H GLU A 77 -10.813 5.471 -4.645 1.00 0.31 H new ATOM 0 HA GLU A 77 -12.452 7.732 -3.965 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -10.914 6.702 -6.361 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.016 8.053 -6.545 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -10.322 8.489 -4.236 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.331 8.098 -5.628 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.734 5.225 -5.551 1.00 0.31 N ATOM 1277 CA ARG A 78 -14.960 4.659 -6.101 1.00 0.33 C ATOM 1278 C ARG A 78 -15.806 4.020 -5.007 1.00 0.36 C ATOM 1279 O ARG A 78 -16.617 3.134 -5.277 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.625 3.608 -7.153 1.00 0.34 C ATOM 1281 CG ARG A 78 -14.048 4.179 -8.436 1.00 0.46 C ATOM 1282 CD ARG A 78 -13.770 3.084 -9.454 1.00 0.42 C ATOM 1283 NE ARG A 78 -15.000 2.455 -9.932 1.00 1.15 N ATOM 1284 CZ ARG A 78 -15.027 1.480 -10.836 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -13.896 1.024 -11.359 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -16.185 0.960 -11.218 1.00 2.37 N ATOM 0 H ARG A 78 -12.990 4.544 -5.401 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.528 5.470 -6.557 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.912 2.900 -6.730 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.529 3.047 -7.391 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.744 4.903 -8.859 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -13.125 4.715 -8.215 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -13.226 3.505 -10.300 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -13.126 2.327 -9.006 1.00 0.42 H new ATOM 0 HE ARG A 78 -15.888 2.782 -9.551 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -13.003 1.421 -11.068 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -13.920 0.276 -12.052 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -17.057 1.308 -10.818 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -16.204 0.212 -11.911 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.606 4.480 -3.778 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.324 3.966 -2.623 1.00 0.43 C ATOM 1302 C ASP A 79 -16.384 2.439 -2.638 1.00 0.40 C ATOM 1303 O ASP A 79 -17.317 1.836 -2.108 1.00 0.47 O ATOM 1304 CB ASP A 79 -17.729 4.568 -2.563 1.00 0.54 C ATOM 1305 CG ASP A 79 -18.674 3.984 -3.597 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -19.324 2.961 -3.296 1.00 2.00 O ATOM 1307 OD2 ASP A 79 -18.757 4.545 -4.710 1.00 2.13 O ATOM 0 H ASP A 79 -14.941 5.220 -3.556 1.00 0.38 H new ATOM 0 HA ASP A 79 -15.780 4.262 -1.726 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -18.144 4.406 -1.568 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -17.662 5.646 -2.709 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.370 1.823 -3.242 1.00 0.32 N ATOM 1313 CA LEU A 80 -15.293 0.369 -3.324 1.00 0.32 C ATOM 1314 C LEU A 80 -14.710 -0.207 -2.038 1.00 0.31 C ATOM 1315 O LEU A 80 -15.036 -1.325 -1.638 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.455 -0.057 -4.533 1.00 0.29 C ATOM 1317 CG LEU A 80 -15.254 -0.696 -5.667 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.692 0.358 -6.663 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -14.427 -1.759 -6.359 1.00 0.39 C ATOM 0 H LEU A 80 -14.590 2.311 -3.682 1.00 0.32 H new ATOM 0 HA LEU A 80 -16.302 -0.024 -3.451 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.932 0.817 -4.922 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.693 -0.762 -4.200 1.00 0.29 H new ATOM 0 HG LEU A 80 -16.142 -1.165 -5.244 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -16.260 -0.113 -7.465 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.317 1.096 -6.160 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.814 0.851 -7.081 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -15.009 -2.206 -7.165 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -13.525 -1.307 -6.771 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -14.151 -2.530 -5.640 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.841 0.569 -1.397 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.216 0.165 -0.144 1.00 0.14 C ATOM 1333 C ILE A 81 -14.108 0.540 1.032 1.00 0.13 C ATOM 1334 O ILE A 81 -14.680 1.630 1.063 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.840 0.836 0.033 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.899 0.410 -1.097 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.243 0.484 1.392 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.566 1.125 -1.085 1.00 0.17 C ATOM 0 H ILE A 81 -13.552 1.489 -1.729 1.00 0.18 H new ATOM 0 HA ILE A 81 -13.079 -0.916 -0.175 1.00 0.14 H new ATOM 0 HB ILE A 81 -11.970 1.917 -0.010 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.725 -0.664 -1.027 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.389 0.592 -2.053 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.272 0.967 1.499 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.909 0.830 2.183 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -11.121 -0.597 1.467 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.955 0.770 -1.915 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.728 2.198 -1.187 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -9.053 0.923 -0.145 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.229 -0.367 1.996 1.00 0.13 N ATOM 1351 CA ASP A 82 -15.055 -0.119 3.164 1.00 0.13 C ATOM 1352 C ASP A 82 -14.578 1.128 3.890 1.00 0.13 C ATOM 1353 O ASP A 82 -13.390 1.273 4.178 1.00 0.13 O ATOM 1354 CB ASP A 82 -15.012 -1.316 4.111 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.228 -1.386 5.013 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.404 -0.472 5.846 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -17.005 -2.356 4.888 1.00 0.47 O ATOM 0 H ASP A 82 -13.766 -1.276 1.989 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.082 0.032 2.833 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.943 -2.234 3.528 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.112 -1.259 4.723 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.510 2.027 4.184 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.175 3.264 4.870 1.00 0.16 C ATOM 1364 C ARG A 83 -14.566 2.975 6.237 1.00 0.18 C ATOM 1365 O ARG A 83 -14.005 3.864 6.879 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.405 4.158 5.009 1.00 0.19 C ATOM 1367 CG ARG A 83 -17.141 4.382 3.697 1.00 0.33 C ATOM 1368 CD ARG A 83 -16.223 4.902 2.594 1.00 0.63 C ATOM 1369 NE ARG A 83 -15.404 6.035 3.024 1.00 0.52 N ATOM 1370 CZ ARG A 83 -15.900 7.211 3.405 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.212 7.413 3.412 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -15.084 8.188 3.775 1.00 1.48 N ATOM 0 H ARG A 83 -16.499 1.921 3.958 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.435 3.793 4.270 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.090 3.711 5.730 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.100 5.122 5.415 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -17.596 3.446 3.375 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.952 5.093 3.856 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -15.571 4.095 2.260 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -16.826 5.200 1.737 1.00 0.63 H new ATOM 0 HE ARG A 83 -14.391 5.917 3.033 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -17.845 6.666 3.125 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -17.588 8.315 3.705 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -14.075 8.040 3.768 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -15.465 9.088 4.066 1.00 1.48 H new ATOM 1386 N SER A 84 -14.684 1.725 6.678 1.00 0.17 N ATOM 1387 CA SER A 84 -14.136 1.314 7.964 1.00 0.20 C ATOM 1388 C SER A 84 -12.614 1.353 7.925 1.00 0.19 C ATOM 1389 O SER A 84 -11.964 1.706 8.909 1.00 0.23 O ATOM 1390 CB SER A 84 -14.618 -0.091 8.329 1.00 0.22 C ATOM 1391 OG SER A 84 -16.025 -0.122 8.492 1.00 1.09 O ATOM 0 H SER A 84 -15.154 0.981 6.163 1.00 0.17 H new ATOM 0 HA SER A 84 -14.487 2.010 8.726 1.00 0.20 H new ATOM 0 HB2 SER A 84 -14.324 -0.794 7.549 1.00 0.22 H new ATOM 0 HB3 SER A 84 -14.135 -0.416 9.250 1.00 0.22 H new ATOM 0 HG SER A 84 -16.453 -0.231 7.617 1.00 1.09 H new ATOM 1397 N ALA A 85 -12.051 0.984 6.776 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.603 0.991 6.599 1.00 0.16 C ATOM 1399 C ALA A 85 -10.060 2.396 6.785 1.00 0.19 C ATOM 1400 O ALA A 85 -9.068 2.607 7.483 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.234 0.474 5.216 1.00 0.14 C ATOM 0 H ALA A 85 -12.575 0.677 5.956 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.160 0.335 7.349 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.150 0.486 5.100 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.600 -0.546 5.099 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.687 1.111 4.457 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.729 3.348 6.144 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.344 4.761 6.211 1.00 0.25 C ATOM 1409 C TYR A 86 -9.909 5.152 7.621 1.00 0.31 C ATOM 1410 O TYR A 86 -10.795 5.410 8.463 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.505 5.656 5.767 1.00 0.28 C ATOM 1412 CG TYR A 86 -11.822 5.575 4.291 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.171 4.369 3.708 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -11.783 6.706 3.487 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.474 4.286 2.364 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.083 6.633 2.141 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.429 5.420 1.585 1.00 0.34 C ATOM 1418 OH TYR A 86 -12.734 5.341 0.248 1.00 0.40 O ATOM 1419 OXT TYR A 86 -8.686 5.200 7.871 1.00 1.02 O ATOM 0 H TYR A 86 -11.549 3.168 5.565 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.500 4.903 5.536 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.396 5.384 6.334 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.269 6.690 6.020 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -12.207 3.477 4.316 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -11.514 7.658 3.921 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.745 3.337 1.926 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -12.047 7.521 1.528 1.00 0.44 H new ATOM 0 HH TYR A 86 -12.843 6.244 -0.116 1.00 0.40 H new