USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN : amide:sc= -2.83 K(o=-3.8,f=-4.5!) USER MOD Set 1.2: A 46 GLN : amide:sc= -0.948 X(o=-3.8,f=-3.8) USER MOD Set 2.1: A 32 GLN : amide:sc= -0.462 X(o=-1.6,f=-1.6) USER MOD Set 2.2: A 35 MET CE :methyl -126:sc= -1.1 (180deg=-1.78) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.061 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 71:sc= 0.602 USER MOD Single : A 15 MET CE :methyl -156:sc= 0 (180deg=-0.7) USER MOD Single : A 18 GLN : amide:sc= -0.0381 K(o=-0.038,f=-1.6!) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.643 F(o=-2.3!,f=-0.64) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.206 USER MOD Single : A 28 ASN : amide:sc= -0.0423 K(o=-0.042,f=-1.6!) USER MOD Single : A 31 TYR OH : rot -10:sc= 0.534 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= -0.294 (180deg=-1.31!) USER MOD Single : A 49 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.4) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.0227 F(o=-1,f=-0.023) USER MOD Single : A 51 SER OG : rot 127:sc= 0.613 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 55 ASN : amide:sc= -0.483 K(o=-0.48,f=-2.2!) USER MOD Single : A 57 SER OG : rot -55:sc= -0.0678 USER MOD Single : A 59 ASN : amide:sc= -2.38! C(o=-2.4!,f=-3.3!) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= -0.0554 (180deg=-0.527) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N PRO A 5 -12.700 12.984 0.239 1.00 0.59 N ATOM 78 CA PRO A 5 -11.626 13.602 1.076 1.00 0.58 C ATOM 79 C PRO A 5 -10.457 14.133 0.230 1.00 0.56 C ATOM 80 O PRO A 5 -10.266 13.712 -0.895 1.00 0.67 O ATOM 81 CB PRO A 5 -11.171 12.443 1.967 1.00 0.62 C ATOM 82 CG PRO A 5 -12.393 11.609 2.152 1.00 0.73 C ATOM 83 CD PRO A 5 -13.197 11.733 0.852 1.00 0.58 C ATOM 0 HA PRO A 5 -11.983 14.469 1.631 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -10.369 11.873 1.497 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -10.789 12.803 2.922 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -12.129 10.570 2.349 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -12.976 11.957 3.005 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -13.033 10.876 0.198 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -14.268 11.783 1.049 1.00 0.58 H new ATOM 91 N PRO A 6 -9.683 15.054 0.754 1.00 0.55 N ATOM 92 CA PRO A 6 -8.524 15.644 0.018 1.00 0.57 C ATOM 93 C PRO A 6 -7.307 14.709 -0.027 1.00 0.51 C ATOM 94 O PRO A 6 -6.345 14.970 -0.721 1.00 0.70 O ATOM 95 CB PRO A 6 -8.208 16.908 0.823 1.00 0.67 C ATOM 96 CG PRO A 6 -8.594 16.559 2.222 1.00 0.84 C ATOM 97 CD PRO A 6 -9.817 15.644 2.102 1.00 0.68 C ATOM 0 HA PRO A 6 -8.761 15.833 -1.029 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -7.152 17.170 0.755 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -8.773 17.765 0.456 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -7.777 16.054 2.739 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -8.830 17.454 2.797 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -9.820 14.877 2.876 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.747 16.203 2.203 1.00 0.68 H new ATOM 105 N TYR A 7 -7.333 13.629 0.706 1.00 0.42 N ATOM 106 CA TYR A 7 -6.169 12.700 0.691 1.00 0.36 C ATOM 107 C TYR A 7 -6.070 12.049 -0.688 1.00 0.34 C ATOM 108 O TYR A 7 -7.067 11.743 -1.312 1.00 0.36 O ATOM 109 CB TYR A 7 -6.368 11.612 1.749 1.00 0.34 C ATOM 110 CG TYR A 7 -6.613 12.263 3.090 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.554 12.845 3.798 1.00 1.10 C ATOM 112 CD2 TYR A 7 -7.908 12.300 3.616 1.00 1.12 C ATOM 113 CE1 TYR A 7 -5.794 13.458 5.034 1.00 1.11 C ATOM 114 CE2 TYR A 7 -8.150 12.915 4.848 1.00 1.15 C ATOM 115 CZ TYR A 7 -7.092 13.494 5.560 1.00 0.47 C ATOM 116 OH TYR A 7 -7.327 14.103 6.776 1.00 0.54 O ATOM 0 H TYR A 7 -8.106 13.351 1.311 1.00 0.42 H new ATOM 0 HA TYR A 7 -5.255 13.254 0.908 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.212 10.976 1.480 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.488 10.970 1.798 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.554 12.821 3.391 1.00 1.10 H new ATOM 0 HD2 TYR A 7 -8.724 11.852 3.069 1.00 1.12 H new ATOM 0 HE1 TYR A 7 -4.977 13.904 5.583 1.00 1.11 H new ATOM 0 HE2 TYR A 7 -9.152 12.944 5.250 1.00 1.15 H new ATOM 0 HH TYR A 7 -8.280 14.041 6.994 1.00 0.54 H new ATOM 126 N SER A 8 -4.880 11.830 -1.170 1.00 0.35 N ATOM 127 CA SER A 8 -4.730 11.192 -2.507 1.00 0.38 C ATOM 128 C SER A 8 -5.170 9.733 -2.402 1.00 0.32 C ATOM 129 O SER A 8 -5.218 9.171 -1.326 1.00 0.30 O ATOM 130 CB SER A 8 -3.265 11.256 -2.944 1.00 0.46 C ATOM 131 OG SER A 8 -3.098 10.502 -4.137 1.00 1.39 O ATOM 0 H SER A 8 -4.007 12.064 -0.698 1.00 0.35 H new ATOM 0 HA SER A 8 -5.343 11.715 -3.241 1.00 0.38 H new ATOM 0 HB2 SER A 8 -2.968 12.292 -3.110 1.00 0.46 H new ATOM 0 HB3 SER A 8 -2.621 10.862 -2.158 1.00 0.46 H new ATOM 0 HG SER A 8 -2.161 10.542 -4.421 1.00 1.39 H new ATOM 137 N TYR A 9 -5.496 9.109 -3.499 1.00 0.34 N ATOM 138 CA TYR A 9 -5.935 7.689 -3.425 1.00 0.34 C ATOM 139 C TYR A 9 -4.800 6.862 -2.819 1.00 0.35 C ATOM 140 O TYR A 9 -5.022 5.983 -2.010 1.00 0.36 O ATOM 141 CB TYR A 9 -6.264 7.172 -4.828 1.00 0.39 C ATOM 142 CG TYR A 9 -7.569 7.777 -5.292 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.783 7.151 -4.985 1.00 1.32 C ATOM 144 CD2 TYR A 9 -7.564 8.971 -6.024 1.00 1.21 C ATOM 145 CE1 TYR A 9 -9.991 7.717 -5.410 1.00 1.32 C ATOM 146 CE2 TYR A 9 -8.772 9.536 -6.450 1.00 1.23 C ATOM 147 CZ TYR A 9 -9.986 8.910 -6.142 1.00 0.44 C ATOM 148 OH TYR A 9 -11.176 9.467 -6.561 1.00 0.50 O ATOM 0 H TYR A 9 -5.478 9.516 -4.434 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.828 7.607 -2.806 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -5.463 7.432 -5.520 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -6.337 6.085 -4.819 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.788 6.231 -4.420 1.00 1.32 H new ATOM 0 HD2 TYR A 9 -6.628 9.456 -6.260 1.00 1.21 H new ATOM 0 HE1 TYR A 9 -10.927 7.233 -5.173 1.00 1.32 H new ATOM 0 HE2 TYR A 9 -8.768 10.455 -7.017 1.00 1.23 H new ATOM 0 HH TYR A 9 -10.994 10.293 -7.055 1.00 0.50 H new ATOM 158 N ILE A 10 -3.583 7.152 -3.193 1.00 0.38 N ATOM 159 CA ILE A 10 -2.426 6.401 -2.629 1.00 0.42 C ATOM 160 C ILE A 10 -2.299 6.710 -1.134 1.00 0.38 C ATOM 161 O ILE A 10 -2.010 5.844 -0.331 1.00 0.39 O ATOM 162 CB ILE A 10 -1.146 6.846 -3.341 1.00 0.50 C ATOM 163 CG1 ILE A 10 -1.220 6.457 -4.819 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.062 6.167 -2.691 1.00 0.51 C ATOM 165 CD1 ILE A 10 -0.073 7.124 -5.583 1.00 0.96 C ATOM 0 H ILE A 10 -3.340 7.879 -3.867 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.579 5.331 -2.771 1.00 0.42 H new ATOM 0 HB ILE A 10 -1.042 7.928 -3.258 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -1.159 5.374 -4.924 1.00 0.61 H new ATOM 0 HG13 ILE A 10 -2.178 6.765 -5.239 1.00 0.61 H new ATOM 0 HG21 ILE A 10 0.974 6.484 -3.198 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.115 6.448 -1.639 1.00 0.51 H new ATOM 0 HG23 ILE A 10 -0.041 5.085 -2.773 1.00 0.51 H new ATOM 0 HD11 ILE A 10 -0.127 6.846 -6.636 1.00 0.96 H new ATOM 0 HD12 ILE A 10 -0.154 8.207 -5.489 1.00 0.96 H new ATOM 0 HD13 ILE A 10 0.880 6.795 -5.169 1.00 0.96 H new ATOM 177 N ALA A 11 -2.507 7.944 -0.758 1.00 0.36 N ATOM 178 CA ALA A 11 -2.392 8.323 0.680 1.00 0.36 C ATOM 179 C ALA A 11 -3.395 7.527 1.515 1.00 0.32 C ATOM 180 O ALA A 11 -3.073 7.028 2.575 1.00 0.32 O ATOM 181 CB ALA A 11 -2.681 9.819 0.836 1.00 0.38 C ATOM 0 H ALA A 11 -2.752 8.708 -1.387 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.382 8.102 1.026 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.598 10.098 1.886 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -1.962 10.392 0.250 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.690 10.034 0.483 1.00 0.38 H new ATOM 187 N LEU A 12 -4.607 7.405 1.052 1.00 0.32 N ATOM 188 CA LEU A 12 -5.617 6.639 1.831 1.00 0.31 C ATOM 189 C LEU A 12 -5.118 5.203 1.997 1.00 0.30 C ATOM 190 O LEU A 12 -5.249 4.607 3.048 1.00 0.32 O ATOM 191 CB LEU A 12 -6.954 6.642 1.087 1.00 0.33 C ATOM 192 CG LEU A 12 -7.569 8.049 1.112 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.766 8.081 0.158 1.00 0.37 C ATOM 194 CD2 LEU A 12 -8.035 8.414 2.534 1.00 0.36 C ATOM 0 H LEU A 12 -4.940 7.800 0.173 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.760 7.097 2.810 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.806 6.320 0.056 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.638 5.930 1.549 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.817 8.773 0.800 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -9.212 9.076 0.167 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.433 7.842 -0.852 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.507 7.349 0.479 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.467 9.415 2.530 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.785 7.696 2.867 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -7.183 8.390 3.213 1.00 0.36 H new ATOM 206 N ILE A 13 -4.532 4.646 0.972 1.00 0.31 N ATOM 207 CA ILE A 13 -4.010 3.255 1.084 1.00 0.32 C ATOM 208 C ILE A 13 -2.831 3.245 2.058 1.00 0.29 C ATOM 209 O ILE A 13 -2.692 2.356 2.874 1.00 0.30 O ATOM 210 CB ILE A 13 -3.526 2.779 -0.290 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.714 2.664 -1.253 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.859 1.408 -0.154 1.00 0.40 C ATOM 213 CD1 ILE A 13 -4.220 2.436 -2.692 1.00 0.49 C ATOM 0 H ILE A 13 -4.393 5.092 0.065 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.799 2.594 1.443 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.810 3.501 -0.681 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -5.358 1.839 -0.948 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -5.316 3.572 -1.208 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -2.516 1.072 -1.132 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -2.008 1.483 0.523 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.578 0.692 0.244 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -5.076 2.357 -3.362 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -3.595 3.274 -2.999 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -3.639 1.515 -2.735 1.00 0.49 H new ATOM 225 N THR A 14 -1.976 4.227 1.969 1.00 0.29 N ATOM 226 CA THR A 14 -0.796 4.283 2.875 1.00 0.31 C ATOM 227 C THR A 14 -1.266 4.357 4.329 1.00 0.32 C ATOM 228 O THR A 14 -0.697 3.741 5.207 1.00 0.34 O ATOM 229 CB THR A 14 0.051 5.514 2.544 1.00 0.35 C ATOM 230 OG1 THR A 14 0.479 5.438 1.190 1.00 0.37 O ATOM 231 CG2 THR A 14 1.276 5.549 3.459 1.00 0.39 C ATOM 0 H THR A 14 -2.045 4.997 1.303 1.00 0.29 H new ATOM 0 HA THR A 14 -0.194 3.385 2.737 1.00 0.31 H new ATOM 0 HB THR A 14 -0.542 6.416 2.693 1.00 0.35 H new ATOM 0 HG1 THR A 14 -0.288 5.577 0.596 1.00 0.37 H new ATOM 0 HG21 THR A 14 1.880 6.425 3.224 1.00 0.39 H new ATOM 0 HG22 THR A 14 0.952 5.599 4.499 1.00 0.39 H new ATOM 0 HG23 THR A 14 1.870 4.648 3.307 1.00 0.39 H new ATOM 239 N MET A 15 -2.299 5.111 4.590 1.00 0.33 N ATOM 240 CA MET A 15 -2.803 5.228 5.988 1.00 0.37 C ATOM 241 C MET A 15 -3.362 3.877 6.435 1.00 0.34 C ATOM 242 O MET A 15 -3.188 3.458 7.561 1.00 0.36 O ATOM 243 CB MET A 15 -3.923 6.269 6.043 1.00 0.44 C ATOM 244 CG MET A 15 -3.342 7.667 5.828 1.00 0.49 C ATOM 245 SD MET A 15 -4.680 8.885 5.896 1.00 0.67 S ATOM 246 CE MET A 15 -3.668 10.356 5.603 1.00 1.14 C ATOM 0 H MET A 15 -2.816 5.651 3.896 1.00 0.33 H new ATOM 0 HA MET A 15 -1.986 5.531 6.643 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.670 6.054 5.278 1.00 0.44 H new ATOM 0 HB3 MET A 15 -4.430 6.220 7.007 1.00 0.44 H new ATOM 0 HG2 MET A 15 -2.596 7.885 6.592 1.00 0.49 H new ATOM 0 HG3 MET A 15 -2.835 7.719 4.864 1.00 0.49 H new ATOM 0 HE1 MET A 15 -4.173 11.232 6.011 1.00 1.14 H new ATOM 0 HE2 MET A 15 -2.700 10.235 6.090 1.00 1.14 H new ATOM 0 HE3 MET A 15 -3.521 10.489 4.531 1.00 1.14 H new ATOM 256 N ALA A 16 -4.044 3.203 5.553 1.00 0.32 N ATOM 257 CA ALA A 16 -4.639 1.885 5.901 1.00 0.31 C ATOM 258 C ALA A 16 -3.543 0.889 6.293 1.00 0.29 C ATOM 259 O ALA A 16 -3.644 0.203 7.291 1.00 0.31 O ATOM 260 CB ALA A 16 -5.397 1.359 4.683 1.00 0.31 C ATOM 0 H ALA A 16 -4.216 3.513 4.596 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.315 2.003 6.748 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.840 0.392 4.920 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -6.184 2.063 4.413 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.708 1.247 3.846 1.00 0.31 H new ATOM 266 N ILE A 17 -2.500 0.795 5.514 1.00 0.27 N ATOM 267 CA ILE A 17 -1.410 -0.167 5.842 1.00 0.28 C ATOM 268 C ILE A 17 -0.828 0.189 7.209 1.00 0.30 C ATOM 269 O ILE A 17 -0.665 -0.649 8.073 1.00 0.33 O ATOM 270 CB ILE A 17 -0.301 -0.050 4.797 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.878 -0.346 3.416 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.799 -1.068 5.112 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.149 0.024 2.342 1.00 0.32 C ATOM 0 H ILE A 17 -2.356 1.342 4.665 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.809 -1.181 5.852 1.00 0.28 H new ATOM 0 HB ILE A 17 0.114 0.958 4.814 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -1.137 -1.402 3.337 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.797 0.220 3.265 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.592 -0.988 4.369 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.208 -0.867 6.102 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.381 -2.074 5.089 1.00 0.33 H new ATOM 0 HD11 ILE A 17 -0.264 -0.188 1.356 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.386 1.085 2.416 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.056 -0.562 2.489 1.00 0.32 H new ATOM 285 N GLN A 18 -0.498 1.435 7.390 1.00 0.32 N ATOM 286 CA GLN A 18 0.096 1.880 8.684 1.00 0.36 C ATOM 287 C GLN A 18 -0.929 1.731 9.815 1.00 0.36 C ATOM 288 O GLN A 18 -0.599 1.332 10.914 1.00 0.38 O ATOM 289 CB GLN A 18 0.491 3.352 8.565 1.00 0.44 C ATOM 290 CG GLN A 18 1.689 3.491 7.623 1.00 0.51 C ATOM 291 CD GLN A 18 1.920 4.971 7.314 1.00 1.09 C ATOM 292 OE1 GLN A 18 0.994 5.758 7.331 1.00 1.76 O ATOM 293 NE2 GLN A 18 3.124 5.387 7.031 1.00 1.82 N ATOM 0 H GLN A 18 -0.614 2.171 6.694 1.00 0.32 H new ATOM 0 HA GLN A 18 0.969 1.267 8.908 1.00 0.36 H new ATOM 0 HB2 GLN A 18 -0.350 3.935 8.188 1.00 0.44 H new ATOM 0 HB3 GLN A 18 0.741 3.752 9.548 1.00 0.44 H new ATOM 0 HG2 GLN A 18 2.579 3.060 8.082 1.00 0.51 H new ATOM 0 HG3 GLN A 18 1.507 2.939 6.701 1.00 0.51 H new ATOM 0 HE21 GLN A 18 3.901 4.727 7.017 1.00 1.82 H new ATOM 0 HE22 GLN A 18 3.288 6.372 6.824 1.00 1.82 H new ATOM 302 N ASN A 19 -2.165 2.061 9.556 1.00 0.37 N ATOM 303 CA ASN A 19 -3.212 1.954 10.614 1.00 0.42 C ATOM 304 C ASN A 19 -3.519 0.485 10.913 1.00 0.43 C ATOM 305 O ASN A 19 -4.055 0.155 11.951 1.00 0.58 O ATOM 306 CB ASN A 19 -4.489 2.648 10.135 1.00 0.51 C ATOM 307 CG ASN A 19 -4.279 4.164 10.088 1.00 0.84 C ATOM 308 OD1 ASN A 19 -3.232 4.693 10.661 1.00 1.67 O flip ATOM 309 ND2 ASN A 19 -5.080 4.879 9.518 1.00 1.28 N flip ATOM 0 H ASN A 19 -2.497 2.402 8.654 1.00 0.37 H new ATOM 0 HA ASN A 19 -2.845 2.432 11.523 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -4.763 2.280 9.146 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -5.315 2.408 10.804 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -5.899 4.470 9.069 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -4.933 5.888 9.489 1.00 1.28 H new ATOM 316 N ALA A 20 -3.202 -0.399 10.008 1.00 0.39 N ATOM 317 CA ALA A 20 -3.497 -1.840 10.246 1.00 0.47 C ATOM 318 C ALA A 20 -2.419 -2.449 11.158 1.00 0.53 C ATOM 319 O ALA A 20 -1.259 -2.464 10.797 1.00 0.63 O ATOM 320 CB ALA A 20 -3.490 -2.577 8.904 1.00 0.49 C ATOM 0 H ALA A 20 -2.753 -0.187 9.117 1.00 0.39 H new ATOM 0 HA ALA A 20 -4.472 -1.937 10.724 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -3.705 -3.633 9.068 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -4.250 -2.149 8.250 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -2.510 -2.474 8.438 1.00 0.49 H new ATOM 326 N PRO A 21 -2.768 -2.968 12.316 1.00 0.71 N ATOM 327 CA PRO A 21 -1.762 -3.588 13.224 1.00 0.87 C ATOM 328 C PRO A 21 -0.783 -4.460 12.433 1.00 0.80 C ATOM 329 O PRO A 21 0.368 -4.612 12.790 1.00 1.04 O ATOM 330 CB PRO A 21 -2.614 -4.429 14.177 1.00 1.10 C ATOM 331 CG PRO A 21 -3.917 -3.700 14.261 1.00 1.29 C ATOM 332 CD PRO A 21 -4.125 -3.027 12.897 1.00 0.94 C ATOM 0 HA PRO A 21 -1.146 -2.857 13.747 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -2.750 -5.442 13.798 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -2.144 -4.516 15.157 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -4.733 -4.387 14.483 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -3.897 -2.959 15.061 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -4.804 -3.602 12.268 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -4.557 -2.032 13.005 1.00 0.94 H new ATOM 340 N GLU A 22 -1.248 -5.013 11.343 1.00 0.72 N ATOM 341 CA GLU A 22 -0.384 -5.866 10.474 1.00 0.83 C ATOM 342 C GLU A 22 -0.236 -5.154 9.126 1.00 0.80 C ATOM 343 O GLU A 22 -1.210 -4.750 8.522 1.00 1.16 O ATOM 344 CB GLU A 22 -1.061 -7.226 10.272 1.00 0.98 C ATOM 345 CG GLU A 22 -0.110 -8.176 9.541 1.00 1.51 C ATOM 346 CD GLU A 22 -0.795 -9.530 9.346 1.00 2.01 C ATOM 347 OE1 GLU A 22 -1.851 -9.728 9.926 1.00 2.63 O ATOM 348 OE2 GLU A 22 -0.252 -10.347 8.622 1.00 2.51 O ATOM 0 H GLU A 22 -2.207 -4.907 11.013 1.00 0.72 H new ATOM 0 HA GLU A 22 0.594 -6.023 10.929 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -1.342 -7.649 11.236 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -1.979 -7.103 9.698 1.00 0.98 H new ATOM 0 HG2 GLU A 22 0.171 -7.756 8.575 1.00 1.51 H new ATOM 0 HG3 GLU A 22 0.809 -8.300 10.114 1.00 1.51 H new ATOM 355 N LYS A 23 0.967 -4.969 8.658 1.00 0.66 N ATOM 356 CA LYS A 23 1.147 -4.253 7.363 1.00 0.68 C ATOM 357 C LYS A 23 0.646 -5.121 6.207 1.00 0.56 C ATOM 358 O LYS A 23 0.233 -4.616 5.181 1.00 0.59 O ATOM 359 CB LYS A 23 2.621 -3.907 7.151 1.00 0.84 C ATOM 360 CG LYS A 23 3.035 -2.832 8.158 1.00 0.96 C ATOM 361 CD LYS A 23 4.509 -2.481 7.950 1.00 0.79 C ATOM 362 CE LYS A 23 4.945 -1.404 8.952 1.00 1.23 C ATOM 363 NZ LYS A 23 5.343 -2.054 10.232 1.00 2.02 N ATOM 0 H LYS A 23 1.827 -5.279 9.111 1.00 0.66 H new ATOM 0 HA LYS A 23 0.567 -3.330 7.392 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.238 -4.797 7.277 1.00 0.84 H new ATOM 0 HB3 LYS A 23 2.780 -3.550 6.134 1.00 0.84 H new ATOM 0 HG2 LYS A 23 2.417 -1.943 8.032 1.00 0.96 H new ATOM 0 HG3 LYS A 23 2.875 -3.190 9.175 1.00 0.96 H new ATOM 0 HD2 LYS A 23 5.123 -3.373 8.074 1.00 0.79 H new ATOM 0 HD3 LYS A 23 4.665 -2.125 6.932 1.00 0.79 H new ATOM 0 HE2 LYS A 23 5.779 -0.831 8.547 1.00 1.23 H new ATOM 0 HE3 LYS A 23 4.130 -0.701 9.126 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 5.639 -1.326 10.913 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 4.535 -2.582 10.619 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 6.133 -2.708 10.058 1.00 2.02 H new ATOM 377 N LYS A 24 0.671 -6.416 6.354 1.00 0.49 N ATOM 378 CA LYS A 24 0.185 -7.287 5.246 1.00 0.43 C ATOM 379 C LYS A 24 -1.343 -7.314 5.256 1.00 0.44 C ATOM 380 O LYS A 24 -1.960 -8.288 5.642 1.00 0.75 O ATOM 381 CB LYS A 24 0.729 -8.707 5.413 1.00 0.41 C ATOM 382 CG LYS A 24 2.215 -8.731 5.051 1.00 0.45 C ATOM 383 CD LYS A 24 2.761 -10.151 5.208 1.00 0.50 C ATOM 384 CE LYS A 24 4.247 -10.167 4.845 1.00 0.59 C ATOM 385 NZ LYS A 24 4.712 -11.575 4.701 1.00 1.55 N ATOM 0 H LYS A 24 1.003 -6.906 7.184 1.00 0.49 H new ATOM 0 HA LYS A 24 0.537 -6.887 4.295 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.589 -9.043 6.440 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.177 -9.397 4.774 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.355 -8.389 4.026 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.767 -8.046 5.694 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.622 -10.495 6.233 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.211 -10.837 4.564 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.410 -9.623 3.915 1.00 0.59 H new ATOM 0 HE3 LYS A 24 4.826 -9.660 5.617 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 5.722 -11.583 4.454 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 4.571 -12.081 5.599 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 4.168 -12.045 3.949 1.00 1.55 H new ATOM 399 N ILE A 25 -1.952 -6.243 4.821 1.00 0.35 N ATOM 400 CA ILE A 25 -3.439 -6.175 4.781 1.00 0.34 C ATOM 401 C ILE A 25 -3.922 -6.725 3.438 1.00 0.31 C ATOM 402 O ILE A 25 -3.252 -6.600 2.432 1.00 0.33 O ATOM 403 CB ILE A 25 -3.880 -4.718 4.939 1.00 0.38 C ATOM 404 CG1 ILE A 25 -5.408 -4.649 5.014 1.00 0.39 C ATOM 405 CG2 ILE A 25 -3.386 -3.894 3.747 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.834 -3.255 5.482 1.00 0.47 C ATOM 0 H ILE A 25 -1.476 -5.404 4.489 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.866 -6.767 5.591 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.454 -4.312 5.856 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.841 -4.864 4.037 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.783 -5.406 5.703 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.703 -2.858 3.865 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -2.298 -3.938 3.700 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.805 -4.299 2.826 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.922 -3.206 5.535 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -5.413 -3.058 6.468 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -5.471 -2.508 4.776 1.00 0.47 H new ATOM 418 N THR A 26 -5.067 -7.346 3.414 1.00 0.30 N ATOM 419 CA THR A 26 -5.573 -7.920 2.134 1.00 0.31 C ATOM 420 C THR A 26 -6.180 -6.812 1.272 1.00 0.28 C ATOM 421 O THR A 26 -6.530 -5.752 1.753 1.00 0.27 O ATOM 422 CB THR A 26 -6.643 -8.975 2.435 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.758 -8.344 3.049 1.00 0.76 O ATOM 424 CG2 THR A 26 -6.084 -10.049 3.376 1.00 0.81 C ATOM 0 H THR A 26 -5.674 -7.482 4.222 1.00 0.30 H new ATOM 0 HA THR A 26 -4.745 -8.381 1.596 1.00 0.31 H new ATOM 0 HB THR A 26 -6.948 -9.450 1.502 1.00 0.37 H new ATOM 0 HG1 THR A 26 -8.447 -9.013 3.243 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.856 -10.791 3.580 1.00 0.81 H new ATOM 0 HG22 THR A 26 -5.229 -10.535 2.906 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.770 -9.586 4.311 1.00 0.81 H new ATOM 432 N LEU A 27 -6.289 -7.051 -0.006 1.00 0.31 N ATOM 433 CA LEU A 27 -6.851 -6.021 -0.923 1.00 0.34 C ATOM 434 C LEU A 27 -8.286 -5.683 -0.508 1.00 0.30 C ATOM 435 O LEU A 27 -8.652 -4.533 -0.356 1.00 0.31 O ATOM 436 CB LEU A 27 -6.846 -6.583 -2.349 1.00 0.44 C ATOM 437 CG LEU A 27 -7.207 -5.489 -3.360 1.00 0.47 C ATOM 438 CD1 LEU A 27 -6.152 -4.368 -3.315 1.00 0.70 C ATOM 439 CD2 LEU A 27 -7.255 -6.107 -4.761 1.00 0.68 C ATOM 0 H LEU A 27 -6.011 -7.922 -0.457 1.00 0.31 H new ATOM 0 HA LEU A 27 -6.249 -5.114 -0.876 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.862 -6.991 -2.582 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -7.558 -7.405 -2.424 1.00 0.44 H new ATOM 0 HG LEU A 27 -8.180 -5.063 -3.113 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -6.414 -3.593 -4.036 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -6.121 -3.937 -2.314 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -5.174 -4.779 -3.563 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -7.511 -5.338 -5.489 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -6.280 -6.529 -5.006 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -8.008 -6.895 -4.786 1.00 0.68 H new ATOM 451 N ASN A 28 -9.097 -6.687 -0.321 1.00 0.30 N ATOM 452 CA ASN A 28 -10.511 -6.453 0.087 1.00 0.31 C ATOM 453 C ASN A 28 -10.547 -5.712 1.426 1.00 0.29 C ATOM 454 O ASN A 28 -11.360 -4.834 1.641 1.00 0.32 O ATOM 455 CB ASN A 28 -11.230 -7.797 0.228 1.00 0.36 C ATOM 456 CG ASN A 28 -11.419 -8.420 -1.156 1.00 0.43 C ATOM 457 OD1 ASN A 28 -11.500 -7.718 -2.146 1.00 1.07 O ATOM 458 ND2 ASN A 28 -11.494 -9.717 -1.269 1.00 1.25 N ATOM 0 H ASN A 28 -8.839 -7.667 -0.434 1.00 0.30 H new ATOM 0 HA ASN A 28 -11.010 -5.850 -0.672 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.651 -8.467 0.864 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -12.197 -7.656 0.710 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -11.621 -10.142 -2.187 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -11.426 -10.306 -0.439 1.00 1.25 H new ATOM 465 N GLY A 29 -9.678 -6.068 2.330 1.00 0.28 N ATOM 466 CA GLY A 29 -9.662 -5.400 3.663 1.00 0.29 C ATOM 467 C GLY A 29 -9.410 -3.899 3.507 1.00 0.28 C ATOM 468 O GLY A 29 -9.977 -3.092 4.215 1.00 0.29 O ATOM 0 H GLY A 29 -8.975 -6.796 2.203 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.613 -5.564 4.170 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.886 -5.842 4.289 1.00 0.29 H new ATOM 472 N ILE A 30 -8.556 -3.513 2.600 1.00 0.26 N ATOM 473 CA ILE A 30 -8.269 -2.060 2.428 1.00 0.27 C ATOM 474 C ILE A 30 -9.556 -1.313 2.062 1.00 0.27 C ATOM 475 O ILE A 30 -9.827 -0.246 2.574 1.00 0.29 O ATOM 476 CB ILE A 30 -7.223 -1.870 1.323 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.876 -2.409 1.812 1.00 0.32 C ATOM 478 CG2 ILE A 30 -7.082 -0.382 0.991 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.880 -2.461 0.651 1.00 0.35 C ATOM 0 H ILE A 30 -8.047 -4.136 1.973 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.881 -1.657 3.364 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.538 -2.409 0.429 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.487 -1.773 2.607 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -6.006 -3.405 2.236 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -6.337 -0.253 0.205 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -8.041 0.007 0.649 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.767 0.161 1.882 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.925 -2.846 1.008 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -5.266 -3.116 -0.130 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.739 -1.458 0.247 1.00 0.35 H new ATOM 491 N TYR A 31 -10.346 -1.851 1.173 1.00 0.28 N ATOM 492 CA TYR A 31 -11.603 -1.148 0.778 1.00 0.30 C ATOM 493 C TYR A 31 -12.511 -0.955 1.996 1.00 0.30 C ATOM 494 O TYR A 31 -13.068 0.104 2.206 1.00 0.32 O ATOM 495 CB TYR A 31 -12.346 -1.987 -0.265 1.00 0.36 C ATOM 496 CG TYR A 31 -11.697 -1.812 -1.618 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.874 -0.618 -2.323 1.00 1.20 C ATOM 498 CD2 TYR A 31 -10.919 -2.839 -2.165 1.00 1.36 C ATOM 499 CE1 TYR A 31 -11.274 -0.451 -3.575 1.00 1.23 C ATOM 500 CE2 TYR A 31 -10.319 -2.672 -3.418 1.00 1.40 C ATOM 501 CZ TYR A 31 -10.498 -1.477 -4.123 1.00 0.58 C ATOM 502 OH TYR A 31 -9.912 -1.309 -5.359 1.00 0.72 O ATOM 0 H TYR A 31 -10.178 -2.741 0.705 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.345 -0.173 0.365 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -12.331 -3.038 0.023 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.392 -1.684 -0.311 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -12.474 0.175 -1.901 1.00 1.20 H new ATOM 0 HD2 TYR A 31 -10.782 -3.761 -1.620 1.00 1.36 H new ATOM 0 HE1 TYR A 31 -11.410 0.472 -4.119 1.00 1.23 H new ATOM 0 HE2 TYR A 31 -9.719 -3.464 -3.840 1.00 1.40 H new ATOM 0 HH TYR A 31 -10.267 -0.499 -5.782 1.00 0.72 H new ATOM 512 N GLN A 32 -12.673 -1.974 2.788 1.00 0.31 N ATOM 513 CA GLN A 32 -13.558 -1.869 3.982 1.00 0.35 C ATOM 514 C GLN A 32 -13.053 -0.772 4.921 1.00 0.33 C ATOM 515 O GLN A 32 -13.825 -0.029 5.494 1.00 0.34 O ATOM 516 CB GLN A 32 -13.559 -3.209 4.712 1.00 0.41 C ATOM 517 CG GLN A 32 -14.328 -4.242 3.886 1.00 1.25 C ATOM 518 CD GLN A 32 -15.828 -3.961 3.987 1.00 1.79 C ATOM 519 OE1 GLN A 32 -16.513 -3.882 2.989 1.00 2.35 O ATOM 520 NE2 GLN A 32 -16.369 -3.810 5.165 1.00 2.51 N ATOM 0 H GLN A 32 -12.228 -2.883 2.660 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.569 -1.616 3.664 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -12.536 -3.547 4.874 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -14.018 -3.099 5.694 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -14.009 -4.201 2.845 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -14.110 -5.247 4.247 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -15.792 -3.877 6.004 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -17.369 -3.625 5.247 1.00 2.51 H new ATOM 529 N PHE A 33 -11.767 -0.670 5.094 1.00 0.33 N ATOM 530 CA PHE A 33 -11.222 0.371 6.007 1.00 0.35 C ATOM 531 C PHE A 33 -11.644 1.758 5.508 1.00 0.32 C ATOM 532 O PHE A 33 -12.087 2.594 6.270 1.00 0.34 O ATOM 533 CB PHE A 33 -9.693 0.269 6.016 1.00 0.40 C ATOM 534 CG PHE A 33 -9.107 1.256 6.997 1.00 0.46 C ATOM 535 CD1 PHE A 33 -8.773 2.550 6.579 1.00 1.34 C ATOM 536 CD2 PHE A 33 -8.887 0.872 8.326 1.00 1.23 C ATOM 537 CE1 PHE A 33 -8.220 3.459 7.489 1.00 1.37 C ATOM 538 CE2 PHE A 33 -8.336 1.781 9.236 1.00 1.27 C ATOM 539 CZ PHE A 33 -8.003 3.074 8.818 1.00 0.63 C ATOM 0 H PHE A 33 -11.069 -1.262 4.643 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.607 0.221 7.016 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -9.391 -0.743 6.284 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -9.303 0.464 5.017 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -8.942 2.847 5.554 1.00 1.34 H new ATOM 0 HD2 PHE A 33 -9.143 -0.126 8.649 1.00 1.23 H new ATOM 0 HE1 PHE A 33 -7.961 4.457 7.166 1.00 1.37 H new ATOM 0 HE2 PHE A 33 -8.168 1.485 10.261 1.00 1.27 H new ATOM 0 HZ PHE A 33 -7.578 3.776 9.521 1.00 0.63 H new ATOM 549 N ILE A 34 -11.499 2.011 4.236 1.00 0.28 N ATOM 550 CA ILE A 34 -11.879 3.344 3.683 1.00 0.27 C ATOM 551 C ILE A 34 -13.392 3.585 3.785 1.00 0.26 C ATOM 552 O ILE A 34 -13.830 4.626 4.234 1.00 0.27 O ATOM 553 CB ILE A 34 -11.462 3.397 2.212 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.934 3.358 2.116 1.00 0.32 C ATOM 555 CG2 ILE A 34 -11.987 4.683 1.564 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.526 3.059 0.673 1.00 0.59 C ATOM 0 H ILE A 34 -11.132 1.349 3.552 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.374 4.118 4.261 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.883 2.539 1.688 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.514 4.312 2.435 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.535 2.595 2.784 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.685 4.712 0.517 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -13.075 4.705 1.629 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.575 5.547 2.085 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.439 3.030 0.601 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.935 2.095 0.372 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.913 3.838 0.017 1.00 0.59 H new ATOM 568 N MET A 35 -14.195 2.653 3.344 1.00 0.27 N ATOM 569 CA MET A 35 -15.674 2.866 3.389 1.00 0.29 C ATOM 570 C MET A 35 -16.157 3.060 4.831 1.00 0.29 C ATOM 571 O MET A 35 -17.018 3.876 5.096 1.00 0.31 O ATOM 572 CB MET A 35 -16.391 1.666 2.763 1.00 0.37 C ATOM 573 CG MET A 35 -16.142 1.662 1.253 1.00 0.44 C ATOM 574 SD MET A 35 -17.032 0.282 0.488 1.00 0.69 S ATOM 575 CE MET A 35 -16.026 -1.062 1.162 1.00 0.47 C ATOM 0 H MET A 35 -13.895 1.758 2.957 1.00 0.27 H new ATOM 0 HA MET A 35 -15.907 3.768 2.823 1.00 0.29 H new ATOM 0 HB2 MET A 35 -16.028 0.739 3.206 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.460 1.719 2.967 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.472 2.605 0.818 1.00 0.44 H new ATOM 0 HG3 MET A 35 -15.074 1.575 1.051 1.00 0.44 H new ATOM 0 HE1 MET A 35 -15.668 -1.692 0.348 1.00 0.47 H new ATOM 0 HE2 MET A 35 -15.175 -0.645 1.700 1.00 0.47 H new ATOM 0 HE3 MET A 35 -16.629 -1.660 1.845 1.00 0.47 H new ATOM 585 N ASP A 36 -15.627 2.317 5.763 1.00 0.31 N ATOM 586 CA ASP A 36 -16.074 2.462 7.180 1.00 0.37 C ATOM 587 C ASP A 36 -15.672 3.832 7.733 1.00 0.38 C ATOM 588 O ASP A 36 -16.409 4.451 8.476 1.00 0.45 O ATOM 589 CB ASP A 36 -15.431 1.367 8.034 1.00 0.43 C ATOM 590 CG ASP A 36 -16.038 0.011 7.673 1.00 0.51 C ATOM 591 OD1 ASP A 36 -17.180 -0.009 7.242 1.00 1.17 O ATOM 592 OD2 ASP A 36 -15.353 -0.985 7.836 1.00 1.12 O ATOM 0 H ASP A 36 -14.904 1.615 5.606 1.00 0.31 H new ATOM 0 HA ASP A 36 -17.160 2.371 7.213 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -14.354 1.350 7.870 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -15.589 1.577 9.092 1.00 0.43 H new ATOM 597 N ARG A 37 -14.499 4.297 7.407 1.00 0.39 N ATOM 598 CA ARG A 37 -14.038 5.609 7.947 1.00 0.46 C ATOM 599 C ARG A 37 -14.708 6.776 7.211 1.00 0.45 C ATOM 600 O ARG A 37 -15.484 7.513 7.788 1.00 0.59 O ATOM 601 CB ARG A 37 -12.517 5.696 7.790 1.00 0.53 C ATOM 602 CG ARG A 37 -11.998 6.988 8.425 1.00 1.16 C ATOM 603 CD ARG A 37 -10.479 7.058 8.258 1.00 1.28 C ATOM 604 NE ARG A 37 -9.826 6.026 9.127 1.00 1.77 N ATOM 605 CZ ARG A 37 -9.960 6.036 10.426 1.00 2.16 C ATOM 606 NH1 ARG A 37 -10.528 7.047 11.025 1.00 2.31 N ATOM 607 NH2 ARG A 37 -9.478 5.052 11.135 1.00 3.00 N ATOM 0 H ARG A 37 -13.838 3.826 6.789 1.00 0.39 H new ATOM 0 HA ARG A 37 -14.314 5.678 8.999 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -12.045 4.834 8.261 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -12.250 5.668 6.734 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -12.467 7.852 7.955 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -12.261 7.018 9.482 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -10.210 6.891 7.215 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -10.120 8.052 8.525 1.00 1.28 H new ATOM 0 HE ARG A 37 -9.262 5.296 8.692 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -10.871 7.837 10.478 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -10.629 7.047 12.040 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -8.998 4.279 10.674 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -9.581 5.056 12.150 1.00 3.00 H new ATOM 621 N PHE A 38 -14.413 6.970 5.953 1.00 0.40 N ATOM 622 CA PHE A 38 -15.034 8.110 5.210 1.00 0.41 C ATOM 623 C PHE A 38 -16.403 7.684 4.644 1.00 0.39 C ATOM 624 O PHE A 38 -16.506 6.648 4.017 1.00 0.51 O ATOM 625 CB PHE A 38 -14.111 8.518 4.060 1.00 0.43 C ATOM 626 CG PHE A 38 -12.846 9.124 4.618 1.00 0.54 C ATOM 627 CD1 PHE A 38 -12.842 10.451 5.064 1.00 1.21 C ATOM 628 CD2 PHE A 38 -11.674 8.360 4.685 1.00 1.47 C ATOM 629 CE1 PHE A 38 -11.666 11.015 5.575 1.00 1.27 C ATOM 630 CE2 PHE A 38 -10.499 8.923 5.197 1.00 1.54 C ATOM 631 CZ PHE A 38 -10.495 10.250 5.641 1.00 0.82 C ATOM 0 H PHE A 38 -13.772 6.393 5.408 1.00 0.40 H new ATOM 0 HA PHE A 38 -15.176 8.951 5.888 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -13.871 7.649 3.447 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.615 9.235 3.412 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -13.746 11.040 5.014 1.00 1.21 H new ATOM 0 HD2 PHE A 38 -11.677 7.336 4.342 1.00 1.47 H new ATOM 0 HE1 PHE A 38 -11.662 12.039 5.918 1.00 1.27 H new ATOM 0 HE2 PHE A 38 -9.596 8.333 5.249 1.00 1.54 H new ATOM 0 HZ PHE A 38 -9.588 10.684 6.035 1.00 0.82 H new ATOM 641 N PRO A 39 -17.453 8.455 4.850 1.00 0.53 N ATOM 642 CA PRO A 39 -18.812 8.106 4.331 1.00 0.55 C ATOM 643 C PRO A 39 -18.995 8.438 2.843 1.00 0.47 C ATOM 644 O PRO A 39 -19.948 8.015 2.221 1.00 0.47 O ATOM 645 CB PRO A 39 -19.741 8.966 5.190 1.00 0.70 C ATOM 646 CG PRO A 39 -18.943 10.196 5.471 1.00 1.21 C ATOM 647 CD PRO A 39 -17.486 9.732 5.594 1.00 0.88 C ATOM 0 HA PRO A 39 -19.005 7.035 4.395 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -20.665 9.202 4.663 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -20.021 8.453 6.110 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.054 10.926 4.669 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -19.278 10.678 6.389 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -16.798 10.461 5.166 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -17.198 9.594 6.636 1.00 0.88 H new ATOM 655 N PHE A 40 -18.104 9.200 2.271 1.00 0.44 N ATOM 656 CA PHE A 40 -18.253 9.558 0.830 1.00 0.42 C ATOM 657 C PHE A 40 -18.256 8.296 -0.032 1.00 0.34 C ATOM 658 O PHE A 40 -19.039 8.159 -0.952 1.00 0.36 O ATOM 659 CB PHE A 40 -17.080 10.444 0.404 1.00 0.48 C ATOM 660 CG PHE A 40 -17.213 10.774 -1.064 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.065 11.809 -1.468 1.00 2.34 C ATOM 662 CD2 PHE A 40 -16.484 10.050 -2.022 1.00 2.20 C ATOM 663 CE1 PHE A 40 -18.193 12.121 -2.827 1.00 3.41 C ATOM 664 CE2 PHE A 40 -16.615 10.365 -3.380 1.00 3.29 C ATOM 665 CZ PHE A 40 -17.469 11.398 -3.782 1.00 3.74 C ATOM 0 H PHE A 40 -17.283 9.589 2.735 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.195 10.089 0.696 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -17.067 11.360 0.995 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -16.136 9.932 0.590 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -18.624 12.367 -0.731 1.00 2.34 H new ATOM 0 HD2 PHE A 40 -15.825 9.253 -1.712 1.00 2.20 H new ATOM 0 HE1 PHE A 40 -18.850 12.919 -3.138 1.00 3.41 H new ATOM 0 HE2 PHE A 40 -16.056 9.810 -4.119 1.00 3.29 H new ATOM 0 HZ PHE A 40 -17.570 11.638 -4.830 1.00 3.74 H new ATOM 675 N TYR A 41 -17.366 7.389 0.240 1.00 0.27 N ATOM 676 CA TYR A 41 -17.287 6.149 -0.576 1.00 0.25 C ATOM 677 C TYR A 41 -18.493 5.243 -0.320 1.00 0.29 C ATOM 678 O TYR A 41 -18.909 4.500 -1.186 1.00 0.35 O ATOM 679 CB TYR A 41 -15.984 5.435 -0.234 1.00 0.23 C ATOM 680 CG TYR A 41 -14.857 6.399 -0.513 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.622 6.843 -1.820 1.00 1.04 C ATOM 682 CD2 TYR A 41 -14.075 6.882 0.540 1.00 1.10 C ATOM 683 CE1 TYR A 41 -13.606 7.768 -2.072 1.00 1.05 C ATOM 684 CE2 TYR A 41 -13.053 7.805 0.288 1.00 1.12 C ATOM 685 CZ TYR A 41 -12.819 8.250 -1.019 1.00 0.34 C ATOM 686 OH TYR A 41 -11.816 9.163 -1.268 1.00 0.40 O ATOM 0 H TYR A 41 -16.685 7.453 0.997 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.302 6.404 -1.636 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -15.977 5.128 0.812 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.873 4.531 -0.832 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -15.226 6.470 -2.634 1.00 1.04 H new ATOM 0 HD2 TYR A 41 -14.259 6.543 1.549 1.00 1.10 H new ATOM 0 HE1 TYR A 41 -13.427 8.112 -3.080 1.00 1.05 H new ATOM 0 HE2 TYR A 41 -12.445 8.174 1.101 1.00 1.12 H new ATOM 0 HH TYR A 41 -11.368 9.394 -0.428 1.00 0.40 H new ATOM 696 N ARG A 42 -19.061 5.291 0.851 1.00 0.33 N ATOM 697 CA ARG A 42 -20.236 4.420 1.133 1.00 0.42 C ATOM 698 C ARG A 42 -21.376 4.741 0.160 1.00 0.44 C ATOM 699 O ARG A 42 -22.066 3.856 -0.308 1.00 0.53 O ATOM 700 CB ARG A 42 -20.709 4.642 2.571 1.00 0.50 C ATOM 701 CG ARG A 42 -19.674 4.063 3.539 1.00 0.58 C ATOM 702 CD ARG A 42 -20.139 4.277 4.981 1.00 0.63 C ATOM 703 NE ARG A 42 -21.328 3.422 5.257 1.00 1.26 N ATOM 704 CZ ARG A 42 -21.694 3.198 6.489 1.00 1.66 C ATOM 705 NH1 ARG A 42 -21.001 3.697 7.475 1.00 1.95 N ATOM 706 NH2 ARG A 42 -22.751 2.474 6.734 1.00 2.51 N ATOM 0 H ARG A 42 -18.766 5.891 1.621 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.943 3.378 1.005 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -20.846 5.707 2.761 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.676 4.164 2.726 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.536 2.999 3.345 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -18.708 4.543 3.383 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -19.334 4.031 5.673 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -20.388 5.326 5.141 1.00 0.63 H new ATOM 0 HE ARG A 42 -21.854 3.013 4.485 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -20.174 4.262 7.282 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -21.286 3.522 8.439 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -23.291 2.083 5.962 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -23.037 2.299 7.697 1.00 2.51 H new ATOM 720 N GLU A 43 -21.594 5.995 -0.140 1.00 0.42 N ATOM 721 CA GLU A 43 -22.705 6.364 -1.073 1.00 0.48 C ATOM 722 C GLU A 43 -22.182 6.462 -2.507 1.00 0.45 C ATOM 723 O GLU A 43 -22.918 6.754 -3.429 1.00 0.66 O ATOM 724 CB GLU A 43 -23.293 7.711 -0.647 1.00 0.62 C ATOM 725 CG GLU A 43 -22.284 8.831 -0.914 1.00 1.27 C ATOM 726 CD GLU A 43 -22.745 10.114 -0.221 1.00 1.75 C ATOM 727 OE1 GLU A 43 -23.821 10.102 0.352 1.00 2.34 O ATOM 728 OE2 GLU A 43 -22.009 11.086 -0.269 1.00 2.28 O ATOM 0 H GLU A 43 -21.052 6.781 0.220 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.476 5.595 -1.033 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -24.216 7.904 -1.194 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -23.550 7.686 0.412 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -21.299 8.542 -0.547 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -22.188 9.000 -1.987 1.00 1.27 H new ATOM 735 N ASN A 44 -20.916 6.221 -2.688 1.00 0.44 N ATOM 736 CA ASN A 44 -20.300 6.292 -4.052 1.00 0.43 C ATOM 737 C ASN A 44 -19.612 4.963 -4.373 1.00 0.37 C ATOM 738 O ASN A 44 -18.834 4.452 -3.594 1.00 0.47 O ATOM 739 CB ASN A 44 -19.269 7.423 -4.084 1.00 0.54 C ATOM 740 CG ASN A 44 -18.818 7.669 -5.525 1.00 1.30 C ATOM 741 OD1 ASN A 44 -19.519 7.330 -6.458 1.00 2.01 O ATOM 742 ND2 ASN A 44 -17.670 8.248 -5.746 1.00 1.97 N ATOM 0 H ASN A 44 -20.267 5.974 -1.941 1.00 0.44 H new ATOM 0 HA ASN A 44 -21.076 6.485 -4.793 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -19.700 8.333 -3.667 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.411 7.164 -3.463 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -17.360 8.417 -6.703 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -17.083 8.532 -4.962 1.00 1.97 H new ATOM 749 N LYS A 45 -19.908 4.396 -5.516 1.00 0.49 N ATOM 750 CA LYS A 45 -19.298 3.093 -5.917 1.00 0.61 C ATOM 751 C LYS A 45 -18.712 3.218 -7.325 1.00 0.71 C ATOM 752 O LYS A 45 -18.482 2.235 -8.001 1.00 0.97 O ATOM 753 CB LYS A 45 -20.399 2.038 -5.941 1.00 0.76 C ATOM 754 CG LYS A 45 -21.028 1.887 -4.550 1.00 0.74 C ATOM 755 CD LYS A 45 -20.066 1.167 -3.598 1.00 0.93 C ATOM 756 CE LYS A 45 -20.832 0.710 -2.355 1.00 1.11 C ATOM 757 NZ LYS A 45 -21.921 -0.223 -2.758 1.00 1.68 N ATOM 0 H LYS A 45 -20.557 4.788 -6.198 1.00 0.49 H new ATOM 0 HA LYS A 45 -18.511 2.817 -5.215 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -21.164 2.319 -6.664 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.988 1.082 -6.267 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -21.277 2.869 -4.149 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -21.960 1.327 -4.625 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -19.616 0.309 -4.098 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -19.252 1.833 -3.313 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -20.155 0.216 -1.658 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -21.251 1.572 -1.835 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -22.100 -0.901 -1.990 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -22.788 0.318 -2.951 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -21.637 -0.739 -3.615 1.00 1.68 H new ATOM 771 N GLN A 46 -18.499 4.418 -7.784 1.00 0.95 N ATOM 772 CA GLN A 46 -17.964 4.605 -9.164 1.00 1.12 C ATOM 773 C GLN A 46 -16.501 4.166 -9.273 1.00 0.71 C ATOM 774 O GLN A 46 -16.002 3.395 -8.478 1.00 1.16 O ATOM 775 CB GLN A 46 -18.102 6.070 -9.582 1.00 1.90 C ATOM 776 CG GLN A 46 -17.238 6.938 -8.674 1.00 2.64 C ATOM 777 CD GLN A 46 -17.396 8.410 -9.065 1.00 3.38 C ATOM 778 OE1 GLN A 46 -18.458 8.980 -8.913 1.00 3.81 O ATOM 779 NE2 GLN A 46 -16.376 9.052 -9.566 1.00 3.98 N ATOM 0 H GLN A 46 -18.672 5.279 -7.265 1.00 0.95 H new ATOM 0 HA GLN A 46 -18.549 3.975 -9.834 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -17.796 6.194 -10.621 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -19.144 6.382 -9.517 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -17.529 6.795 -7.633 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -16.193 6.640 -8.757 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -15.485 8.573 -9.693 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -16.470 10.033 -9.830 1.00 3.98 H new ATOM 788 N GLY A 47 -15.831 4.645 -10.287 1.00 0.78 N ATOM 789 CA GLY A 47 -14.408 4.270 -10.529 1.00 0.73 C ATOM 790 C GLY A 47 -13.550 4.446 -9.275 1.00 0.54 C ATOM 791 O GLY A 47 -12.408 4.030 -9.249 1.00 0.64 O ATOM 0 H GLY A 47 -16.219 5.294 -10.972 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -14.357 3.233 -10.861 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -14.003 4.883 -11.335 1.00 0.73 H new ATOM 795 N TRP A 48 -14.054 5.047 -8.232 1.00 0.44 N ATOM 796 CA TRP A 48 -13.195 5.204 -7.025 1.00 0.33 C ATOM 797 C TRP A 48 -12.795 3.805 -6.553 1.00 0.31 C ATOM 798 O TRP A 48 -11.697 3.577 -6.089 1.00 0.37 O ATOM 799 CB TRP A 48 -13.946 5.972 -5.918 1.00 0.36 C ATOM 800 CG TRP A 48 -14.791 5.057 -5.078 1.00 0.35 C ATOM 801 CD1 TRP A 48 -16.130 4.916 -5.196 1.00 0.37 C ATOM 802 CD2 TRP A 48 -14.382 4.173 -3.989 1.00 0.35 C ATOM 803 NE1 TRP A 48 -16.569 4.004 -4.252 1.00 0.37 N ATOM 804 CE2 TRP A 48 -15.531 3.515 -3.487 1.00 0.36 C ATOM 805 CE3 TRP A 48 -13.141 3.878 -3.395 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -15.452 2.598 -2.433 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -13.060 2.956 -2.337 1.00 0.41 C ATOM 808 CH2 TRP A 48 -14.210 2.320 -1.857 1.00 0.42 C ATOM 0 H TRP A 48 -14.998 5.427 -8.162 1.00 0.44 H new ATOM 0 HA TRP A 48 -12.304 5.784 -7.265 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -13.227 6.488 -5.282 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -14.578 6.736 -6.371 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.755 5.431 -5.910 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -17.544 3.727 -4.136 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -12.245 4.363 -3.754 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -16.343 2.109 -2.068 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -12.101 2.737 -1.891 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -14.138 1.615 -1.042 1.00 0.42 H new ATOM 819 N GLN A 49 -13.691 2.870 -6.684 1.00 0.41 N ATOM 820 CA GLN A 49 -13.401 1.473 -6.263 1.00 0.47 C ATOM 821 C GLN A 49 -12.228 0.886 -7.061 1.00 0.37 C ATOM 822 O GLN A 49 -11.366 0.227 -6.514 1.00 0.38 O ATOM 823 CB GLN A 49 -14.652 0.626 -6.511 1.00 0.65 C ATOM 824 CG GLN A 49 -15.744 1.013 -5.514 1.00 1.21 C ATOM 825 CD GLN A 49 -16.986 0.162 -5.777 1.00 1.35 C ATOM 826 OE1 GLN A 49 -17.488 0.129 -6.882 1.00 1.96 O ATOM 827 NE2 GLN A 49 -17.505 -0.537 -4.805 1.00 1.59 N ATOM 0 H GLN A 49 -14.624 3.016 -7.070 1.00 0.41 H new ATOM 0 HA GLN A 49 -13.130 1.469 -5.207 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -15.008 0.776 -7.530 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -14.412 -0.432 -6.409 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -15.393 0.860 -4.494 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -15.985 2.071 -5.613 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -17.084 -0.510 -3.876 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -18.332 -1.110 -4.974 1.00 1.59 H new ATOM 836 N ASN A 50 -12.202 1.090 -8.352 1.00 0.37 N ATOM 837 CA ASN A 50 -11.102 0.512 -9.183 1.00 0.39 C ATOM 838 C ASN A 50 -9.827 1.358 -9.103 1.00 0.34 C ATOM 839 O ASN A 50 -8.737 0.864 -9.313 1.00 0.39 O ATOM 840 CB ASN A 50 -11.555 0.449 -10.643 1.00 0.53 C ATOM 841 CG ASN A 50 -12.667 -0.592 -10.799 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.638 -1.678 -10.077 1.00 1.25 O flip ATOM 843 ND2 ASN A 50 -13.571 -0.415 -11.591 1.00 1.28 N flip ATOM 0 H ASN A 50 -12.895 1.632 -8.868 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.880 -0.484 -8.799 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.913 1.427 -10.964 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.712 0.192 -11.284 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -13.595 0.434 -12.156 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -14.306 -1.115 -11.691 1.00 1.28 H new ATOM 850 N SER A 51 -9.943 2.628 -8.838 1.00 0.31 N ATOM 851 CA SER A 51 -8.724 3.486 -8.792 1.00 0.36 C ATOM 852 C SER A 51 -7.858 3.139 -7.577 1.00 0.37 C ATOM 853 O SER A 51 -6.672 3.404 -7.557 1.00 0.50 O ATOM 854 CB SER A 51 -9.142 4.955 -8.711 1.00 0.38 C ATOM 855 OG SER A 51 -9.687 5.217 -7.426 1.00 1.49 O ATOM 0 H SER A 51 -10.823 3.109 -8.652 1.00 0.31 H new ATOM 0 HA SER A 51 -8.141 3.310 -9.696 1.00 0.36 H new ATOM 0 HB2 SER A 51 -8.283 5.600 -8.893 1.00 0.38 H new ATOM 0 HB3 SER A 51 -9.878 5.179 -9.483 1.00 0.38 H new ATOM 0 HG SER A 51 -9.224 5.982 -7.024 1.00 1.49 H new ATOM 861 N ILE A 52 -8.436 2.571 -6.557 1.00 0.33 N ATOM 862 CA ILE A 52 -7.641 2.234 -5.339 1.00 0.43 C ATOM 863 C ILE A 52 -6.665 1.083 -5.609 1.00 0.42 C ATOM 864 O ILE A 52 -5.467 1.230 -5.467 1.00 0.47 O ATOM 865 CB ILE A 52 -8.605 1.814 -4.225 1.00 0.51 C ATOM 866 CG1 ILE A 52 -9.535 2.988 -3.858 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.815 1.344 -2.999 1.00 0.64 C ATOM 868 CD1 ILE A 52 -8.881 3.942 -2.848 1.00 0.64 C ATOM 0 H ILE A 52 -9.425 2.324 -6.512 1.00 0.33 H new ATOM 0 HA ILE A 52 -7.064 3.112 -5.048 1.00 0.43 H new ATOM 0 HB ILE A 52 -9.220 0.986 -4.578 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.797 3.539 -4.761 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -10.464 2.599 -3.441 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -8.508 1.047 -2.212 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -7.191 0.493 -3.273 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -7.184 2.157 -2.639 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -9.570 4.755 -2.617 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -8.643 3.397 -1.935 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.966 4.352 -3.275 1.00 0.64 H new ATOM 880 N ARG A 53 -7.168 -0.072 -5.955 1.00 0.45 N ATOM 881 CA ARG A 53 -6.267 -1.239 -6.188 1.00 0.53 C ATOM 882 C ARG A 53 -5.440 -1.054 -7.460 1.00 0.49 C ATOM 883 O ARG A 53 -4.327 -1.533 -7.557 1.00 0.47 O ATOM 884 CB ARG A 53 -7.105 -2.517 -6.283 1.00 0.76 C ATOM 885 CG ARG A 53 -8.124 -2.408 -7.422 1.00 0.56 C ATOM 886 CD ARG A 53 -9.104 -3.596 -7.379 1.00 0.37 C ATOM 887 NE ARG A 53 -8.642 -4.655 -8.322 1.00 1.42 N ATOM 888 CZ ARG A 53 -9.130 -5.863 -8.235 1.00 1.74 C ATOM 889 NH1 ARG A 53 -10.009 -6.147 -7.312 1.00 1.58 N ATOM 890 NH2 ARG A 53 -8.740 -6.788 -9.069 1.00 2.76 N ATOM 0 H ARG A 53 -8.162 -0.258 -6.086 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.575 -1.316 -5.350 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -6.453 -3.374 -6.451 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -7.623 -2.690 -5.340 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -8.674 -1.471 -7.338 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -7.607 -2.389 -8.381 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -9.163 -3.996 -6.367 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -10.106 -3.265 -7.650 1.00 0.37 H new ATOM 0 HE ARG A 53 -7.945 -4.436 -9.034 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -10.314 -5.425 -6.659 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -10.390 -7.091 -7.244 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -8.053 -6.568 -9.790 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -9.122 -7.731 -9.000 1.00 2.76 H new ATOM 904 N HIS A 54 -5.962 -0.372 -8.438 1.00 0.52 N ATOM 905 CA HIS A 54 -5.188 -0.172 -9.694 1.00 0.59 C ATOM 906 C HIS A 54 -3.884 0.571 -9.383 1.00 0.53 C ATOM 907 O HIS A 54 -2.857 0.328 -9.986 1.00 0.59 O ATOM 908 CB HIS A 54 -6.014 0.643 -10.690 1.00 0.67 C ATOM 909 CG HIS A 54 -5.257 0.752 -11.985 1.00 1.12 C ATOM 910 ND1 HIS A 54 -5.009 -0.351 -12.786 1.00 1.81 N ATOM 911 CD2 HIS A 54 -4.690 1.822 -12.634 1.00 1.99 C ATOM 912 CE1 HIS A 54 -4.324 0.074 -13.861 1.00 2.38 C ATOM 913 NE2 HIS A 54 -4.101 1.390 -13.819 1.00 2.48 N ATOM 0 H HIS A 54 -6.888 0.055 -8.423 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.958 -1.144 -10.129 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -6.979 0.165 -10.858 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -6.216 1.636 -10.288 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -4.700 2.842 -12.279 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -3.994 -0.571 -14.662 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -3.606 1.957 -14.507 1.00 2.48 H new ATOM 921 N ASN A 55 -3.928 1.497 -8.464 1.00 0.46 N ATOM 922 CA ASN A 55 -2.711 2.289 -8.118 1.00 0.50 C ATOM 923 C ASN A 55 -1.676 1.423 -7.392 1.00 0.45 C ATOM 924 O ASN A 55 -0.516 1.776 -7.312 1.00 0.51 O ATOM 925 CB ASN A 55 -3.113 3.454 -7.213 1.00 0.53 C ATOM 926 CG ASN A 55 -3.917 4.478 -8.018 1.00 1.27 C ATOM 927 OD1 ASN A 55 -3.848 4.505 -9.232 1.00 2.07 O ATOM 928 ND2 ASN A 55 -4.683 5.324 -7.388 1.00 1.97 N ATOM 0 H ASN A 55 -4.763 1.742 -7.932 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.265 2.659 -9.041 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -3.707 3.088 -6.375 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -2.224 3.924 -6.793 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -5.226 6.010 -7.913 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -4.740 5.300 -6.370 1.00 1.97 H new ATOM 935 N LEU A 56 -2.078 0.314 -6.838 1.00 0.39 N ATOM 936 CA LEU A 56 -1.100 -0.536 -6.098 1.00 0.39 C ATOM 937 C LEU A 56 0.028 -0.984 -7.029 1.00 0.44 C ATOM 938 O LEU A 56 1.188 -0.947 -6.671 1.00 0.78 O ATOM 939 CB LEU A 56 -1.808 -1.778 -5.557 1.00 0.44 C ATOM 940 CG LEU A 56 -2.797 -1.384 -4.451 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.640 -2.607 -4.078 1.00 0.65 C ATOM 942 CD2 LEU A 56 -2.049 -0.878 -3.204 1.00 0.53 C ATOM 0 H LEU A 56 -3.034 -0.040 -6.864 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.684 0.049 -5.278 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.337 -2.285 -6.364 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.074 -2.482 -5.165 1.00 0.44 H new ATOM 0 HG LEU A 56 -3.437 -0.582 -4.819 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -4.346 -2.337 -3.293 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.188 -2.953 -4.955 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -2.987 -3.404 -3.721 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -2.770 -0.605 -2.433 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -1.396 -1.665 -2.827 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -1.451 -0.006 -3.467 1.00 0.53 H new ATOM 954 N SER A 57 -0.295 -1.423 -8.214 1.00 0.55 N ATOM 955 CA SER A 57 0.774 -1.885 -9.143 1.00 0.61 C ATOM 956 C SER A 57 1.603 -0.693 -9.625 1.00 0.64 C ATOM 957 O SER A 57 2.807 -0.780 -9.759 1.00 0.69 O ATOM 958 CB SER A 57 0.145 -2.592 -10.345 1.00 0.71 C ATOM 959 OG SER A 57 -0.524 -1.638 -11.158 1.00 1.60 O ATOM 0 H SER A 57 -1.246 -1.482 -8.577 1.00 0.55 H new ATOM 0 HA SER A 57 1.425 -2.581 -8.614 1.00 0.61 H new ATOM 0 HB2 SER A 57 0.914 -3.103 -10.924 1.00 0.71 H new ATOM 0 HB3 SER A 57 -0.557 -3.353 -10.006 1.00 0.71 H new ATOM 0 HG SER A 57 -1.173 -1.143 -10.615 1.00 1.60 H new ATOM 965 N LEU A 58 0.970 0.416 -9.898 1.00 0.65 N ATOM 966 CA LEU A 58 1.730 1.603 -10.383 1.00 0.73 C ATOM 967 C LEU A 58 2.765 2.027 -9.336 1.00 0.69 C ATOM 968 O LEU A 58 3.873 2.396 -9.668 1.00 0.76 O ATOM 969 CB LEU A 58 0.771 2.765 -10.653 1.00 0.81 C ATOM 970 CG LEU A 58 -0.117 2.433 -11.859 1.00 0.95 C ATOM 971 CD1 LEU A 58 -1.206 3.504 -11.993 1.00 1.38 C ATOM 972 CD2 LEU A 58 0.717 2.378 -13.153 1.00 1.31 C ATOM 0 H LEU A 58 -0.037 0.551 -9.807 1.00 0.65 H new ATOM 0 HA LEU A 58 2.242 1.337 -11.308 1.00 0.73 H new ATOM 0 HB2 LEU A 58 0.153 2.951 -9.774 1.00 0.81 H new ATOM 0 HB3 LEU A 58 1.335 3.678 -10.845 1.00 0.81 H new ATOM 0 HG LEU A 58 -0.573 1.455 -11.702 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -1.840 3.273 -12.849 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -1.812 3.522 -11.087 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -0.741 4.479 -12.139 1.00 1.38 H new ATOM 0 HD21 LEU A 58 0.067 2.141 -13.995 1.00 1.31 H new ATOM 0 HD22 LEU A 58 1.191 3.345 -13.322 1.00 1.31 H new ATOM 0 HD23 LEU A 58 1.484 1.609 -13.059 1.00 1.31 H new ATOM 984 N ASN A 59 2.416 1.984 -8.079 1.00 0.62 N ATOM 985 CA ASN A 59 3.390 2.392 -7.027 1.00 0.61 C ATOM 986 C ASN A 59 4.579 1.426 -7.025 1.00 0.56 C ATOM 987 O ASN A 59 4.430 0.239 -6.810 1.00 0.52 O ATOM 988 CB ASN A 59 2.694 2.360 -5.665 1.00 0.64 C ATOM 989 CG ASN A 59 1.546 3.372 -5.660 1.00 0.83 C ATOM 990 OD1 ASN A 59 1.731 4.519 -6.013 1.00 1.42 O ATOM 991 ND2 ASN A 59 0.356 2.990 -5.282 1.00 1.29 N ATOM 0 H ASN A 59 1.503 1.685 -7.736 1.00 0.62 H new ATOM 0 HA ASN A 59 3.752 3.400 -7.229 1.00 0.61 H new ATOM 0 HB2 ASN A 59 2.313 1.359 -5.462 1.00 0.64 H new ATOM 0 HB3 ASN A 59 3.406 2.596 -4.874 1.00 0.64 H new ATOM 0 HD21 ASN A 59 -0.417 3.655 -5.283 1.00 1.29 H new ATOM 0 HD22 ASN A 59 0.200 2.027 -4.985 1.00 1.29 H new ATOM 998 N GLU A 60 5.757 1.930 -7.276 1.00 0.62 N ATOM 999 CA GLU A 60 6.965 1.055 -7.308 1.00 0.65 C ATOM 1000 C GLU A 60 7.481 0.809 -5.886 1.00 0.58 C ATOM 1001 O GLU A 60 7.939 -0.268 -5.560 1.00 0.55 O ATOM 1002 CB GLU A 60 8.052 1.742 -8.134 1.00 0.84 C ATOM 1003 CG GLU A 60 7.621 1.787 -9.602 1.00 0.97 C ATOM 1004 CD GLU A 60 8.638 2.594 -10.410 1.00 1.52 C ATOM 1005 OE1 GLU A 60 8.533 3.809 -10.412 1.00 2.17 O ATOM 1006 OE2 GLU A 60 9.505 1.983 -11.013 1.00 2.02 O ATOM 0 H GLU A 60 5.936 2.917 -7.462 1.00 0.62 H new ATOM 0 HA GLU A 60 6.704 0.096 -7.756 1.00 0.65 H new ATOM 0 HB2 GLU A 60 8.223 2.752 -7.762 1.00 0.84 H new ATOM 0 HB3 GLU A 60 8.994 1.203 -8.036 1.00 0.84 H new ATOM 0 HG2 GLU A 60 7.545 0.775 -10.001 1.00 0.97 H new ATOM 0 HG3 GLU A 60 6.633 2.238 -9.688 1.00 0.97 H new ATOM 1013 N CYS A 61 7.422 1.802 -5.041 1.00 0.62 N ATOM 1014 CA CYS A 61 7.923 1.629 -3.648 1.00 0.65 C ATOM 1015 C CYS A 61 7.057 0.607 -2.910 1.00 0.53 C ATOM 1016 O CYS A 61 7.396 0.154 -1.835 1.00 0.57 O ATOM 1017 CB CYS A 61 7.863 2.970 -2.914 1.00 0.78 C ATOM 1018 SG CYS A 61 9.108 4.091 -3.597 1.00 1.56 S ATOM 0 H CYS A 61 7.048 2.726 -5.255 1.00 0.62 H new ATOM 0 HA CYS A 61 8.953 1.274 -3.678 1.00 0.65 H new ATOM 0 HB2 CYS A 61 6.870 3.408 -3.016 1.00 0.78 H new ATOM 0 HB3 CYS A 61 8.038 2.821 -1.849 1.00 0.78 H new ATOM 0 HG CYS A 61 9.054 5.231 -2.974 1.00 1.56 H new ATOM 1024 N PHE A 62 5.941 0.241 -3.475 1.00 0.46 N ATOM 1025 CA PHE A 62 5.051 -0.748 -2.804 1.00 0.40 C ATOM 1026 C PHE A 62 5.604 -2.159 -3.035 1.00 0.44 C ATOM 1027 O PHE A 62 5.923 -2.537 -4.144 1.00 0.55 O ATOM 1028 CB PHE A 62 3.634 -0.633 -3.395 1.00 0.44 C ATOM 1029 CG PHE A 62 2.840 0.426 -2.658 1.00 0.40 C ATOM 1030 CD1 PHE A 62 3.429 1.654 -2.326 1.00 1.27 C ATOM 1031 CD2 PHE A 62 1.509 0.175 -2.301 1.00 1.29 C ATOM 1032 CE1 PHE A 62 2.687 2.626 -1.642 1.00 1.32 C ATOM 1033 CE2 PHE A 62 0.769 1.146 -1.616 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.358 2.371 -1.286 1.00 0.59 C ATOM 0 H PHE A 62 5.606 0.585 -4.375 1.00 0.46 H new ATOM 0 HA PHE A 62 5.010 -0.550 -1.733 1.00 0.40 H new ATOM 0 HB2 PHE A 62 3.694 -0.381 -4.454 1.00 0.44 H new ATOM 0 HB3 PHE A 62 3.124 -1.594 -3.324 1.00 0.44 H new ATOM 0 HD1 PHE A 62 4.456 1.851 -2.598 1.00 1.27 H new ATOM 0 HD2 PHE A 62 1.052 -0.770 -2.555 1.00 1.29 H new ATOM 0 HE1 PHE A 62 3.141 3.573 -1.389 1.00 1.32 H new ATOM 0 HE2 PHE A 62 -0.257 0.949 -1.342 1.00 1.32 H new ATOM 0 HZ PHE A 62 0.787 3.120 -0.757 1.00 0.59 H new ATOM 1044 N VAL A 63 5.719 -2.941 -1.991 1.00 0.46 N ATOM 1045 CA VAL A 63 6.250 -4.331 -2.141 1.00 0.55 C ATOM 1046 C VAL A 63 5.078 -5.307 -2.230 1.00 0.45 C ATOM 1047 O VAL A 63 4.185 -5.299 -1.405 1.00 0.45 O ATOM 1048 CB VAL A 63 7.114 -4.686 -0.929 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.553 -6.149 -1.026 1.00 0.85 C ATOM 1050 CG2 VAL A 63 8.351 -3.784 -0.908 1.00 0.91 C ATOM 0 H VAL A 63 5.467 -2.676 -1.039 1.00 0.46 H new ATOM 0 HA VAL A 63 6.855 -4.395 -3.046 1.00 0.55 H new ATOM 0 HB VAL A 63 6.538 -4.540 -0.015 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.169 -6.402 -0.163 1.00 0.85 H new ATOM 0 HG12 VAL A 63 6.673 -6.792 -1.046 1.00 0.85 H new ATOM 0 HG13 VAL A 63 8.130 -6.296 -1.939 1.00 0.85 H new ATOM 0 HG21 VAL A 63 8.969 -4.034 -0.046 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.926 -3.933 -1.822 1.00 0.91 H new ATOM 0 HG23 VAL A 63 8.040 -2.741 -0.841 1.00 0.91 H new ATOM 1060 N LYS A 64 5.068 -6.140 -3.239 1.00 0.53 N ATOM 1061 CA LYS A 64 3.949 -7.114 -3.414 1.00 0.56 C ATOM 1062 C LYS A 64 4.398 -8.516 -2.991 1.00 0.54 C ATOM 1063 O LYS A 64 5.295 -9.094 -3.572 1.00 0.77 O ATOM 1064 CB LYS A 64 3.549 -7.121 -4.890 1.00 0.84 C ATOM 1065 CG LYS A 64 2.303 -7.984 -5.092 1.00 0.94 C ATOM 1066 CD LYS A 64 1.879 -7.917 -6.560 1.00 1.11 C ATOM 1067 CE LYS A 64 0.670 -8.826 -6.786 1.00 1.05 C ATOM 1068 NZ LYS A 64 1.067 -10.244 -6.554 1.00 1.81 N ATOM 0 H LYS A 64 5.793 -6.187 -3.955 1.00 0.53 H new ATOM 0 HA LYS A 64 3.102 -6.823 -2.793 1.00 0.56 H new ATOM 0 HB2 LYS A 64 3.354 -6.103 -5.227 1.00 0.84 H new ATOM 0 HB3 LYS A 64 4.370 -7.506 -5.496 1.00 0.84 H new ATOM 0 HG2 LYS A 64 2.510 -9.016 -4.807 1.00 0.94 H new ATOM 0 HG3 LYS A 64 1.495 -7.633 -4.451 1.00 0.94 H new ATOM 0 HD2 LYS A 64 1.631 -6.891 -6.831 1.00 1.11 H new ATOM 0 HD3 LYS A 64 2.704 -8.226 -7.202 1.00 1.11 H new ATOM 0 HE2 LYS A 64 -0.139 -8.548 -6.111 1.00 1.05 H new ATOM 0 HE3 LYS A 64 0.294 -8.704 -7.802 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 0.394 -10.876 -7.033 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 2.022 -10.404 -6.934 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 1.063 -10.443 -5.533 1.00 1.81 H new ATOM 1082 N VAL A 65 3.761 -9.068 -1.988 1.00 0.50 N ATOM 1083 CA VAL A 65 4.107 -10.444 -1.505 1.00 0.57 C ATOM 1084 C VAL A 65 2.909 -11.366 -1.806 1.00 0.63 C ATOM 1085 O VAL A 65 1.830 -11.138 -1.296 1.00 0.84 O ATOM 1086 CB VAL A 65 4.359 -10.403 0.018 1.00 0.69 C ATOM 1087 CG1 VAL A 65 5.854 -10.212 0.301 1.00 1.28 C ATOM 1088 CG2 VAL A 65 3.572 -9.243 0.646 1.00 0.69 C ATOM 0 H VAL A 65 3.004 -8.617 -1.475 1.00 0.50 H new ATOM 0 HA VAL A 65 5.004 -10.812 -2.003 1.00 0.57 H new ATOM 0 HB VAL A 65 4.028 -11.346 0.452 1.00 0.69 H new ATOM 0 HG11 VAL A 65 6.020 -10.185 1.378 1.00 1.28 H new ATOM 0 HG12 VAL A 65 6.415 -11.040 -0.132 1.00 1.28 H new ATOM 0 HG13 VAL A 65 6.191 -9.275 -0.142 1.00 1.28 H new ATOM 0 HG21 VAL A 65 3.754 -9.219 1.720 1.00 0.69 H new ATOM 0 HG22 VAL A 65 3.896 -8.301 0.202 1.00 0.69 H new ATOM 0 HG23 VAL A 65 2.507 -9.384 0.461 1.00 0.69 H new ATOM 1098 N PRO A 66 3.063 -12.390 -2.618 1.00 0.81 N ATOM 1099 CA PRO A 66 1.926 -13.297 -2.950 1.00 0.96 C ATOM 1100 C PRO A 66 1.580 -14.244 -1.797 1.00 0.95 C ATOM 1101 O PRO A 66 2.407 -14.557 -0.964 1.00 1.13 O ATOM 1102 CB PRO A 66 2.423 -14.068 -4.179 1.00 1.25 C ATOM 1103 CG PRO A 66 3.912 -14.091 -4.045 1.00 1.65 C ATOM 1104 CD PRO A 66 4.304 -12.808 -3.301 1.00 1.18 C ATOM 0 HA PRO A 66 1.004 -12.747 -3.136 1.00 0.96 H new ATOM 0 HB2 PRO A 66 2.013 -15.078 -4.204 1.00 1.25 H new ATOM 0 HB3 PRO A 66 2.117 -13.577 -5.103 1.00 1.25 H new ATOM 0 HG2 PRO A 66 4.238 -14.973 -3.494 1.00 1.65 H new ATOM 0 HG3 PRO A 66 4.389 -14.132 -5.024 1.00 1.65 H new ATOM 0 HD2 PRO A 66 5.108 -12.991 -2.588 1.00 1.18 H new ATOM 0 HD3 PRO A 66 4.657 -12.041 -3.990 1.00 1.18 H new ATOM 1265 N TYR A 77 -0.845 -10.326 -0.444 1.00 0.60 N ATOM 1266 CA TYR A 77 -0.657 -9.388 0.699 1.00 0.46 C ATOM 1267 C TYR A 77 0.042 -8.121 0.207 1.00 0.38 C ATOM 1268 O TYR A 77 0.702 -8.123 -0.812 1.00 0.50 O ATOM 1269 CB TYR A 77 0.208 -10.046 1.778 1.00 0.65 C ATOM 1270 CG TYR A 77 -0.562 -11.154 2.466 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -1.723 -10.859 3.192 1.00 1.23 C ATOM 1272 CD2 TYR A 77 -0.115 -12.479 2.376 1.00 1.39 C ATOM 1273 CE1 TYR A 77 -2.434 -11.886 3.826 1.00 1.32 C ATOM 1274 CE2 TYR A 77 -0.826 -13.505 3.009 1.00 1.38 C ATOM 1275 CZ TYR A 77 -1.986 -13.209 3.734 1.00 0.70 C ATOM 1276 OH TYR A 77 -2.690 -14.221 4.355 1.00 0.90 O ATOM 0 HA TYR A 77 -1.632 -9.138 1.117 1.00 0.46 H new ATOM 0 HB2 TYR A 77 1.116 -10.449 1.330 1.00 0.65 H new ATOM 0 HB3 TYR A 77 0.518 -9.300 2.510 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -2.070 -9.839 3.263 1.00 1.23 H new ATOM 0 HD2 TYR A 77 0.780 -12.709 1.817 1.00 1.39 H new ATOM 0 HE1 TYR A 77 -3.328 -11.657 4.386 1.00 1.32 H new ATOM 0 HE2 TYR A 77 -0.479 -14.525 2.938 1.00 1.38 H new ATOM 0 HH TYR A 77 -2.244 -15.078 4.191 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.105 -7.035 0.925 1.00 0.32 N ATOM 1287 CA TRP A 78 0.537 -5.750 0.513 1.00 0.31 C ATOM 1288 C TRP A 78 1.296 -5.148 1.698 1.00 0.32 C ATOM 1289 O TRP A 78 0.773 -5.033 2.789 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.555 -4.786 0.050 1.00 0.34 C ATOM 1291 CG TRP A 78 -1.110 -5.280 -1.246 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -2.207 -6.064 -1.382 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.603 -5.048 -2.591 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.406 -6.320 -2.727 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.443 -5.716 -3.513 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.495 -4.326 -3.094 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.201 -5.668 -4.888 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.741 -4.276 -4.474 1.00 0.45 C ATOM 1299 CH2 TRP A 78 -0.104 -4.944 -5.370 1.00 0.46 C ATOM 0 H TRP A 78 -0.648 -6.984 1.787 1.00 0.32 H new ATOM 0 HA TRP A 78 1.242 -5.928 -0.299 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.344 -4.721 0.799 1.00 0.34 H new ATOM 0 HB3 TRP A 78 -0.147 -3.783 -0.071 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.824 -6.429 -0.574 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -3.171 -6.886 -3.094 1.00 0.46 H new ATOM 0 HE3 TRP A 78 1.153 -3.807 -2.413 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.855 -6.185 -5.574 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.587 -3.719 -4.848 1.00 0.45 H new ATOM 0 HH2 TRP A 78 0.091 -4.900 -6.431 1.00 0.46 H new ATOM 1310 N THR A 79 2.529 -4.765 1.493 1.00 0.33 N ATOM 1311 CA THR A 79 3.327 -4.170 2.605 1.00 0.37 C ATOM 1312 C THR A 79 4.338 -3.172 2.033 1.00 0.40 C ATOM 1313 O THR A 79 4.676 -3.214 0.866 1.00 0.45 O ATOM 1314 CB THR A 79 4.067 -5.286 3.352 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.641 -4.757 4.540 1.00 0.55 O ATOM 1316 CG2 THR A 79 5.170 -5.871 2.465 1.00 0.56 C ATOM 0 H THR A 79 3.019 -4.839 0.601 1.00 0.33 H new ATOM 0 HA THR A 79 2.662 -3.651 3.295 1.00 0.37 H new ATOM 0 HB THR A 79 3.361 -6.077 3.606 1.00 0.49 H new ATOM 0 HG1 THR A 79 5.113 -5.469 5.020 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.689 -6.663 3.005 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.728 -6.281 1.557 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.879 -5.086 2.201 1.00 0.56 H new ATOM 1324 N LEU A 80 4.821 -2.275 2.847 1.00 0.45 N ATOM 1325 CA LEU A 80 5.808 -1.273 2.358 1.00 0.53 C ATOM 1326 C LEU A 80 7.202 -1.900 2.316 1.00 0.74 C ATOM 1327 O LEU A 80 7.356 -3.106 2.317 1.00 1.42 O ATOM 1328 CB LEU A 80 5.825 -0.068 3.303 1.00 0.54 C ATOM 1329 CG LEU A 80 4.438 0.582 3.362 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.469 1.735 4.371 1.00 0.86 C ATOM 1331 CD2 LEU A 80 4.047 1.121 1.976 1.00 0.81 C ATOM 0 H LEU A 80 4.574 -2.193 3.833 1.00 0.45 H new ATOM 0 HA LEU A 80 5.524 -0.950 1.356 1.00 0.53 H new ATOM 0 HB2 LEU A 80 6.129 -0.384 4.301 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.561 0.660 2.962 1.00 0.54 H new ATOM 0 HG LEU A 80 3.703 -0.162 3.670 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.486 2.203 4.419 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.736 1.350 5.355 1.00 0.86 H new ATOM 0 HD13 LEU A 80 5.207 2.473 4.057 1.00 0.86 H new ATOM 0 HD21 LEU A 80 3.060 1.581 2.029 1.00 0.81 H new ATOM 0 HD22 LEU A 80 4.777 1.865 1.656 1.00 0.81 H new ATOM 0 HD23 LEU A 80 4.027 0.300 1.259 1.00 0.81 H new