USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.00697 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0.538 K(o=0.54,f=-7.9!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 39:sc= 0.211 USER MOD Single : A 17 GLN : amide:sc= -0.0744 X(o=-0.074,f=-0.31) USER MOD Single : A 18 SER OG : rot -63:sc= 1.25 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.117 F(o=-3!,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 159:sc= 2.09 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 1:sc= 0.521 USER MOD Single : A 47 THR OG1 : rot -146:sc= -3.34! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0554 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 166:sc= -5.14! (180deg=-6.09!) USER MOD Single : A 67 THR OG1 : rot -69:sc= 0.331 USER MOD Single : A 71 TYR OH : rot -140:sc= -2.41! USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.00036) USER MOD Single : A 73 THR OG1 : rot 40:sc= 0.188 USER MOD Single : A 76 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.355 9.865 -2.526 1.00 1.49 N ATOM 2 CA GLY A 1 8.330 9.256 -3.411 1.00 1.01 C ATOM 3 C GLY A 1 8.883 8.086 -4.196 1.00 0.96 C ATOM 4 O GLY A 1 9.656 7.290 -3.659 1.00 1.71 O ATOM 0 H1 GLY A 1 8.914 10.149 -1.628 1.00 1.49 H new ATOM 0 H2 GLY A 1 10.108 9.172 -2.338 1.00 1.49 H new ATOM 0 H3 GLY A 1 9.762 10.701 -2.991 1.00 1.49 H new ATOM 0 HA2 GLY A 1 7.484 8.922 -2.810 1.00 1.01 H new ATOM 0 HA3 GLY A 1 7.953 10.010 -4.102 1.00 1.01 H new ATOM 8 N ASN A 2 8.484 7.993 -5.468 1.00 0.45 N ATOM 9 CA ASN A 2 8.907 6.922 -6.374 1.00 0.32 C ATOM 10 C ASN A 2 8.331 5.580 -5.920 1.00 0.22 C ATOM 11 O ASN A 2 7.884 5.427 -4.781 1.00 0.22 O ATOM 12 CB ASN A 2 10.432 6.860 -6.456 1.00 0.41 C ATOM 13 CG ASN A 2 10.957 6.212 -7.730 1.00 1.21 C ATOM 14 OD1 ASN A 2 10.280 5.410 -8.373 1.00 2.00 O ATOM 15 ND2 ASN A 2 12.180 6.557 -8.097 1.00 1.83 N ATOM 0 H ASN A 2 7.852 8.666 -5.902 1.00 0.45 H new ATOM 0 HA ASN A 2 8.522 7.138 -7.371 1.00 0.32 H new ATOM 0 HB2 ASN A 2 10.831 7.872 -6.384 1.00 0.41 H new ATOM 0 HB3 ASN A 2 10.810 6.306 -5.596 1.00 0.41 H new ATOM 0 HD21 ASN A 2 12.592 6.155 -8.939 1.00 1.83 H new ATOM 0 HD22 ASN A 2 12.711 7.225 -7.538 1.00 1.83 H new ATOM 22 N ALA A 3 8.336 4.614 -6.821 1.00 0.18 N ATOM 23 CA ALA A 3 7.710 3.326 -6.567 1.00 0.14 C ATOM 24 C ALA A 3 8.630 2.435 -5.755 1.00 0.15 C ATOM 25 O ALA A 3 9.716 2.061 -6.198 1.00 0.24 O ATOM 26 CB ALA A 3 7.301 2.652 -7.862 1.00 0.17 C ATOM 0 H ALA A 3 8.769 4.697 -7.741 1.00 0.18 H new ATOM 0 HA ALA A 3 6.805 3.499 -5.985 1.00 0.14 H new ATOM 0 HB1 ALA A 3 6.836 1.691 -7.641 1.00 0.17 H new ATOM 0 HB2 ALA A 3 6.591 3.285 -8.393 1.00 0.17 H new ATOM 0 HB3 ALA A 3 8.182 2.494 -8.484 1.00 0.17 H new ATOM 32 N ILE A 4 8.177 2.112 -4.565 1.00 0.10 N ATOM 33 CA ILE A 4 8.974 1.392 -3.589 1.00 0.10 C ATOM 34 C ILE A 4 8.533 -0.063 -3.461 1.00 0.09 C ATOM 35 O ILE A 4 9.237 -0.894 -2.888 1.00 0.11 O ATOM 36 CB ILE A 4 8.859 2.083 -2.223 1.00 0.11 C ATOM 37 CG1 ILE A 4 7.415 2.047 -1.720 1.00 0.12 C ATOM 38 CG2 ILE A 4 9.357 3.512 -2.334 1.00 0.14 C ATOM 39 CD1 ILE A 4 7.223 2.656 -0.346 1.00 0.15 C ATOM 0 H ILE A 4 7.237 2.342 -4.241 1.00 0.10 H new ATOM 0 HA ILE A 4 10.009 1.400 -3.930 1.00 0.10 H new ATOM 0 HB ILE A 4 9.476 1.549 -1.500 1.00 0.11 H new ATOM 0 HG12 ILE A 4 6.780 2.575 -2.432 1.00 0.12 H new ATOM 0 HG13 ILE A 4 7.075 1.012 -1.697 1.00 0.12 H new ATOM 0 HG21 ILE A 4 9.275 4.002 -1.364 1.00 0.14 H new ATOM 0 HG22 ILE A 4 10.399 3.510 -2.653 1.00 0.14 H new ATOM 0 HG23 ILE A 4 8.755 4.051 -3.065 1.00 0.14 H new ATOM 0 HD11 ILE A 4 6.172 2.591 -0.063 1.00 0.15 H new ATOM 0 HD12 ILE A 4 7.829 2.114 0.380 1.00 0.15 H new ATOM 0 HD13 ILE A 4 7.529 3.702 -0.366 1.00 0.15 H new ATOM 51 N GLY A 5 7.364 -0.361 -3.994 1.00 0.09 N ATOM 52 CA GLY A 5 6.836 -1.706 -3.930 1.00 0.09 C ATOM 53 C GLY A 5 5.662 -1.868 -4.849 1.00 0.08 C ATOM 54 O GLY A 5 5.253 -0.909 -5.499 1.00 0.10 O ATOM 0 H GLY A 5 6.764 0.310 -4.475 1.00 0.09 H new ATOM 0 HA2 GLY A 5 7.615 -2.419 -4.200 1.00 0.09 H new ATOM 0 HA3 GLY A 5 6.536 -1.934 -2.907 1.00 0.09 H new ATOM 58 N PHE A 6 5.119 -3.068 -4.914 1.00 0.08 N ATOM 59 CA PHE A 6 4.048 -3.362 -5.848 1.00 0.08 C ATOM 60 C PHE A 6 3.048 -4.332 -5.243 1.00 0.09 C ATOM 61 O PHE A 6 3.393 -5.145 -4.386 1.00 0.10 O ATOM 62 CB PHE A 6 4.631 -3.941 -7.134 1.00 0.09 C ATOM 63 CG PHE A 6 5.562 -2.994 -7.834 1.00 0.11 C ATOM 64 CD1 PHE A 6 5.089 -2.076 -8.769 1.00 0.15 C ATOM 65 CD2 PHE A 6 6.919 -3.029 -7.563 1.00 0.13 C ATOM 66 CE1 PHE A 6 5.956 -1.216 -9.409 1.00 0.18 C ATOM 67 CE2 PHE A 6 7.786 -2.167 -8.203 1.00 0.16 C ATOM 68 CZ PHE A 6 7.266 -1.226 -9.134 1.00 0.20 C ATOM 0 H PHE A 6 5.401 -3.856 -4.331 1.00 0.08 H new ATOM 0 HA PHE A 6 3.523 -2.434 -6.075 1.00 0.08 H new ATOM 0 HB2 PHE A 6 5.166 -4.862 -6.902 1.00 0.09 H new ATOM 0 HB3 PHE A 6 3.817 -4.206 -7.808 1.00 0.09 H new ATOM 0 HD1 PHE A 6 4.034 -2.038 -8.995 1.00 0.15 H new ATOM 0 HD2 PHE A 6 7.303 -3.738 -6.844 1.00 0.13 H new ATOM 0 HE1 PHE A 6 5.572 -0.524 -10.144 1.00 0.18 H new ATOM 0 HE2 PHE A 6 8.846 -2.206 -7.999 1.00 0.16 H new ATOM 0 HZ PHE A 6 7.926 -0.521 -9.618 1.00 0.20 H new ATOM 78 N ILE A 7 1.807 -4.227 -5.686 1.00 0.09 N ATOM 79 CA ILE A 7 0.740 -5.085 -5.193 1.00 0.09 C ATOM 80 C ILE A 7 0.808 -6.456 -5.845 1.00 0.11 C ATOM 81 O ILE A 7 0.718 -6.575 -7.065 1.00 0.14 O ATOM 82 CB ILE A 7 -0.649 -4.484 -5.480 1.00 0.10 C ATOM 83 CG1 ILE A 7 -0.726 -3.031 -5.005 1.00 0.11 C ATOM 84 CG2 ILE A 7 -1.732 -5.326 -4.813 1.00 0.10 C ATOM 85 CD1 ILE A 7 -0.473 -2.853 -3.529 1.00 0.11 C ATOM 0 H ILE A 7 1.511 -3.552 -6.391 1.00 0.09 H new ATOM 0 HA ILE A 7 0.880 -5.173 -4.116 1.00 0.09 H new ATOM 0 HB ILE A 7 -0.812 -4.492 -6.558 1.00 0.10 H new ATOM 0 HG12 ILE A 7 0.000 -2.439 -5.562 1.00 0.11 H new ATOM 0 HG13 ILE A 7 -1.712 -2.633 -5.245 1.00 0.11 H new ATOM 0 HG21 ILE A 7 -2.710 -4.893 -5.022 1.00 0.10 H new ATOM 0 HG22 ILE A 7 -1.695 -6.343 -5.204 1.00 0.10 H new ATOM 0 HG23 ILE A 7 -1.566 -5.345 -3.736 1.00 0.10 H new ATOM 0 HD11 ILE A 7 -0.545 -1.796 -3.272 1.00 0.11 H new ATOM 0 HD12 ILE A 7 -1.215 -3.416 -2.962 1.00 0.11 H new ATOM 0 HD13 ILE A 7 0.524 -3.218 -3.284 1.00 0.11 H new ATOM 97 N THR A 8 0.955 -7.486 -5.032 1.00 0.12 N ATOM 98 CA THR A 8 1.012 -8.849 -5.541 1.00 0.15 C ATOM 99 C THR A 8 -0.210 -9.631 -5.086 1.00 0.16 C ATOM 100 O THR A 8 -0.606 -10.619 -5.709 1.00 0.20 O ATOM 101 CB THR A 8 2.299 -9.544 -5.069 1.00 0.16 C ATOM 102 OG1 THR A 8 2.346 -9.562 -3.635 1.00 0.17 O ATOM 103 CG2 THR A 8 3.514 -8.810 -5.608 1.00 0.17 C ATOM 0 H THR A 8 1.037 -7.408 -4.018 1.00 0.12 H new ATOM 0 HA THR A 8 1.018 -8.814 -6.630 1.00 0.15 H new ATOM 0 HB THR A 8 2.304 -10.568 -5.443 1.00 0.16 H new ATOM 0 HG1 THR A 8 3.168 -10.007 -3.340 1.00 0.17 H new ATOM 0 HG21 THR A 8 4.421 -9.310 -5.268 1.00 0.17 H new ATOM 0 HG22 THR A 8 3.486 -8.811 -6.698 1.00 0.17 H new ATOM 0 HG23 THR A 8 3.509 -7.782 -5.245 1.00 0.17 H new ATOM 111 N LYS A 9 -0.805 -9.175 -3.999 1.00 0.15 N ATOM 112 CA LYS A 9 -2.068 -9.709 -3.535 1.00 0.17 C ATOM 113 C LYS A 9 -2.929 -8.571 -3.024 1.00 0.14 C ATOM 114 O LYS A 9 -2.414 -7.606 -2.465 1.00 0.17 O ATOM 115 CB LYS A 9 -1.867 -10.743 -2.431 1.00 0.22 C ATOM 116 CG LYS A 9 -3.142 -11.497 -2.096 1.00 0.33 C ATOM 117 CD LYS A 9 -2.928 -12.525 -1.003 1.00 1.11 C ATOM 118 CE LYS A 9 -2.612 -11.874 0.332 1.00 1.47 C ATOM 119 NZ LYS A 9 -2.364 -12.878 1.395 1.00 2.36 N ATOM 0 H LYS A 9 -0.427 -8.428 -3.417 1.00 0.15 H new ATOM 0 HA LYS A 9 -2.560 -10.208 -4.370 1.00 0.17 H new ATOM 0 HB2 LYS A 9 -1.100 -11.453 -2.739 1.00 0.22 H new ATOM 0 HB3 LYS A 9 -1.498 -10.245 -1.535 1.00 0.22 H new ATOM 0 HG2 LYS A 9 -3.909 -10.789 -1.782 1.00 0.33 H new ATOM 0 HG3 LYS A 9 -3.515 -11.994 -2.992 1.00 0.33 H new ATOM 0 HD2 LYS A 9 -3.822 -13.141 -0.904 1.00 1.11 H new ATOM 0 HD3 LYS A 9 -2.112 -13.190 -1.285 1.00 1.11 H new ATOM 0 HE2 LYS A 9 -1.735 -11.235 0.225 1.00 1.47 H new ATOM 0 HE3 LYS A 9 -3.441 -11.231 0.627 1.00 1.47 H new ATOM 0 HZ1 LYS A 9 -2.152 -12.391 2.289 1.00 2.36 H new ATOM 0 HZ2 LYS A 9 -3.209 -13.472 1.516 1.00 2.36 H new ATOM 0 HZ3 LYS A 9 -1.556 -13.476 1.126 1.00 2.36 H new ATOM 133 N LEU A 10 -4.223 -8.672 -3.228 1.00 0.13 N ATOM 134 CA LEU A 10 -5.141 -7.637 -2.804 1.00 0.13 C ATOM 135 C LEU A 10 -6.528 -8.214 -2.605 1.00 0.13 C ATOM 136 O LEU A 10 -6.941 -9.119 -3.331 1.00 0.17 O ATOM 137 CB LEU A 10 -5.157 -6.515 -3.841 1.00 0.13 C ATOM 138 CG LEU A 10 -6.195 -5.422 -3.617 1.00 0.16 C ATOM 139 CD1 LEU A 10 -5.632 -4.090 -4.063 1.00 0.20 C ATOM 140 CD2 LEU A 10 -7.476 -5.731 -4.379 1.00 0.18 C ATOM 0 H LEU A 10 -4.667 -9.467 -3.689 1.00 0.13 H new ATOM 0 HA LEU A 10 -4.810 -7.226 -1.850 1.00 0.13 H new ATOM 0 HB2 LEU A 10 -4.170 -6.053 -3.865 1.00 0.13 H new ATOM 0 HB3 LEU A 10 -5.327 -6.956 -4.823 1.00 0.13 H new ATOM 0 HG LEU A 10 -6.434 -5.377 -2.554 1.00 0.16 H new ATOM 0 HD11 LEU A 10 -6.375 -3.309 -3.902 1.00 0.20 H new ATOM 0 HD12 LEU A 10 -4.736 -3.862 -3.486 1.00 0.20 H new ATOM 0 HD13 LEU A 10 -5.379 -4.138 -5.122 1.00 0.20 H new ATOM 0 HD21 LEU A 10 -8.203 -4.938 -4.205 1.00 0.18 H new ATOM 0 HD22 LEU A 10 -7.258 -5.796 -5.445 1.00 0.18 H new ATOM 0 HD23 LEU A 10 -7.885 -6.680 -4.033 1.00 0.18 H new ATOM 152 N ASP A 11 -7.237 -7.698 -1.618 1.00 0.14 N ATOM 153 CA ASP A 11 -8.569 -8.190 -1.310 1.00 0.16 C ATOM 154 C ASP A 11 -9.415 -7.109 -0.654 1.00 0.16 C ATOM 155 O ASP A 11 -8.886 -6.209 0.007 1.00 0.19 O ATOM 156 CB ASP A 11 -8.478 -9.391 -0.371 1.00 0.25 C ATOM 157 CG ASP A 11 -9.635 -10.356 -0.538 1.00 1.08 C ATOM 158 OD1 ASP A 11 -9.534 -11.290 -1.360 1.00 1.94 O ATOM 159 OD2 ASP A 11 -10.665 -10.172 0.149 1.00 1.41 O ATOM 0 H ASP A 11 -6.915 -6.940 -1.016 1.00 0.14 H new ATOM 0 HA ASP A 11 -9.041 -8.485 -2.247 1.00 0.16 H new ATOM 0 HB2 ASP A 11 -7.542 -9.919 -0.553 1.00 0.25 H new ATOM 0 HB3 ASP A 11 -8.450 -9.039 0.660 1.00 0.25 H new ATOM 164 N GLY A 12 -10.721 -7.205 -0.837 1.00 0.23 N ATOM 165 CA GLY A 12 -11.639 -6.291 -0.192 1.00 0.23 C ATOM 166 C GLY A 12 -11.685 -4.938 -0.864 1.00 0.20 C ATOM 167 O GLY A 12 -11.579 -4.836 -2.087 1.00 0.27 O ATOM 0 H GLY A 12 -11.166 -7.908 -1.427 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -12.638 -6.726 -0.192 1.00 0.23 H new ATOM 0 HA3 GLY A 12 -11.347 -6.164 0.850 1.00 0.23 H new ATOM 171 N SER A 13 -11.839 -3.898 -0.062 1.00 0.18 N ATOM 172 CA SER A 13 -11.923 -2.544 -0.575 1.00 0.18 C ATOM 173 C SER A 13 -10.706 -1.755 -0.121 1.00 0.15 C ATOM 174 O SER A 13 -10.423 -1.678 1.076 1.00 0.19 O ATOM 175 CB SER A 13 -13.207 -1.874 -0.082 1.00 0.23 C ATOM 176 OG SER A 13 -13.437 -0.648 -0.755 1.00 1.16 O ATOM 0 H SER A 13 -11.909 -3.968 0.953 1.00 0.18 H new ATOM 0 HA SER A 13 -11.945 -2.570 -1.664 1.00 0.18 H new ATOM 0 HB2 SER A 13 -14.053 -2.543 -0.240 1.00 0.23 H new ATOM 0 HB3 SER A 13 -13.138 -1.695 0.991 1.00 0.23 H new ATOM 0 HG SER A 13 -14.264 -0.242 -0.422 1.00 1.16 H new ATOM 182 N VAL A 14 -9.966 -1.199 -1.075 1.00 0.13 N ATOM 183 CA VAL A 14 -8.743 -0.479 -0.755 1.00 0.12 C ATOM 184 C VAL A 14 -8.614 0.804 -1.575 1.00 0.11 C ATOM 185 O VAL A 14 -9.151 0.922 -2.678 1.00 0.13 O ATOM 186 CB VAL A 14 -7.478 -1.340 -0.972 1.00 0.16 C ATOM 187 CG1 VAL A 14 -7.664 -2.749 -0.427 1.00 0.19 C ATOM 188 CG2 VAL A 14 -7.094 -1.370 -2.437 1.00 0.20 C ATOM 0 H VAL A 14 -10.192 -1.234 -2.069 1.00 0.13 H new ATOM 0 HA VAL A 14 -8.816 -0.228 0.303 1.00 0.12 H new ATOM 0 HB VAL A 14 -6.662 -0.879 -0.416 1.00 0.16 H new ATOM 0 HG11 VAL A 14 -6.756 -3.327 -0.596 1.00 0.19 H new ATOM 0 HG12 VAL A 14 -7.870 -2.701 0.642 1.00 0.19 H new ATOM 0 HG13 VAL A 14 -8.500 -3.229 -0.936 1.00 0.19 H new ATOM 0 HG21 VAL A 14 -6.201 -1.982 -2.567 1.00 0.20 H new ATOM 0 HG22 VAL A 14 -7.912 -1.794 -3.019 1.00 0.20 H new ATOM 0 HG23 VAL A 14 -6.892 -0.356 -2.781 1.00 0.20 H new ATOM 198 N THR A 15 -7.903 1.756 -1.004 1.00 0.10 N ATOM 199 CA THR A 15 -7.614 3.033 -1.637 1.00 0.10 C ATOM 200 C THR A 15 -6.262 3.512 -1.141 1.00 0.10 C ATOM 201 O THR A 15 -5.790 3.034 -0.120 1.00 0.10 O ATOM 202 CB THR A 15 -8.688 4.092 -1.307 1.00 0.13 C ATOM 203 OG1 THR A 15 -9.577 3.591 -0.300 1.00 0.17 O ATOM 204 CG2 THR A 15 -9.478 4.466 -2.549 1.00 0.17 C ATOM 0 H THR A 15 -7.502 1.665 -0.071 1.00 0.10 H new ATOM 0 HA THR A 15 -7.610 2.896 -2.718 1.00 0.10 H new ATOM 0 HB THR A 15 -8.185 4.985 -0.935 1.00 0.13 H new ATOM 0 HG1 THR A 15 -9.067 3.074 0.359 1.00 0.17 H new ATOM 0 HG21 THR A 15 -10.229 5.213 -2.291 1.00 0.17 H new ATOM 0 HG22 THR A 15 -8.802 4.874 -3.301 1.00 0.17 H new ATOM 0 HG23 THR A 15 -9.971 3.579 -2.947 1.00 0.17 H new ATOM 212 N VAL A 16 -5.614 4.406 -1.861 1.00 0.10 N ATOM 213 CA VAL A 16 -4.367 4.964 -1.377 1.00 0.11 C ATOM 214 C VAL A 16 -4.375 6.479 -1.511 1.00 0.11 C ATOM 215 O VAL A 16 -4.784 7.027 -2.528 1.00 0.12 O ATOM 216 CB VAL A 16 -3.127 4.351 -2.081 1.00 0.12 C ATOM 217 CG1 VAL A 16 -2.771 5.075 -3.369 1.00 0.12 C ATOM 218 CG2 VAL A 16 -1.937 4.339 -1.139 1.00 0.16 C ATOM 0 H VAL A 16 -5.923 4.757 -2.768 1.00 0.10 H new ATOM 0 HA VAL A 16 -4.287 4.703 -0.322 1.00 0.11 H new ATOM 0 HB VAL A 16 -3.387 3.327 -2.350 1.00 0.12 H new ATOM 0 HG11 VAL A 16 -1.897 4.606 -3.820 1.00 0.12 H new ATOM 0 HG12 VAL A 16 -3.611 5.020 -4.062 1.00 0.12 H new ATOM 0 HG13 VAL A 16 -2.550 6.120 -3.150 1.00 0.12 H new ATOM 0 HG21 VAL A 16 -1.075 3.906 -1.647 1.00 0.16 H new ATOM 0 HG22 VAL A 16 -1.704 5.359 -0.834 1.00 0.16 H new ATOM 0 HG23 VAL A 16 -2.176 3.743 -0.258 1.00 0.16 H new ATOM 228 N GLN A 17 -3.970 7.141 -0.453 1.00 0.12 N ATOM 229 CA GLN A 17 -3.877 8.584 -0.429 1.00 0.12 C ATOM 230 C GLN A 17 -2.458 8.999 -0.742 1.00 0.13 C ATOM 231 O GLN A 17 -1.594 8.989 0.130 1.00 0.13 O ATOM 232 CB GLN A 17 -4.305 9.111 0.943 1.00 0.14 C ATOM 233 CG GLN A 17 -5.637 9.833 0.921 1.00 0.21 C ATOM 234 CD GLN A 17 -6.153 10.164 2.308 1.00 0.29 C ATOM 235 OE1 GLN A 17 -5.379 10.384 3.241 1.00 0.50 O ATOM 236 NE2 GLN A 17 -7.467 10.200 2.449 1.00 0.51 N ATOM 0 H GLN A 17 -3.694 6.693 0.421 1.00 0.12 H new ATOM 0 HA GLN A 17 -4.542 9.008 -1.181 1.00 0.12 H new ATOM 0 HB2 GLN A 17 -4.364 8.277 1.642 1.00 0.14 H new ATOM 0 HB3 GLN A 17 -3.539 9.789 1.319 1.00 0.14 H new ATOM 0 HG2 GLN A 17 -5.535 10.754 0.347 1.00 0.21 H new ATOM 0 HG3 GLN A 17 -6.371 9.215 0.404 1.00 0.21 H new ATOM 0 HE21 GLN A 17 -8.071 10.011 1.649 1.00 0.51 H new ATOM 0 HE22 GLN A 17 -7.877 10.417 3.358 1.00 0.51 H new ATOM 245 N SER A 18 -2.227 9.362 -1.986 1.00 0.16 N ATOM 246 CA SER A 18 -0.903 9.732 -2.445 1.00 0.21 C ATOM 247 C SER A 18 -0.426 10.985 -1.712 1.00 0.24 C ATOM 248 O SER A 18 -1.186 11.600 -0.969 1.00 0.25 O ATOM 249 CB SER A 18 -0.954 9.957 -3.952 1.00 0.28 C ATOM 250 OG SER A 18 -1.469 8.812 -4.612 1.00 1.25 O ATOM 0 H SER A 18 -2.948 9.409 -2.706 1.00 0.16 H new ATOM 0 HA SER A 18 -0.192 8.934 -2.230 1.00 0.21 H new ATOM 0 HB2 SER A 18 -1.578 10.823 -4.175 1.00 0.28 H new ATOM 0 HB3 SER A 18 0.045 10.180 -4.326 1.00 0.28 H new ATOM 0 HG SER A 18 -0.866 8.053 -4.469 1.00 1.25 H new ATOM 256 N ILE A 19 0.829 11.362 -1.935 1.00 0.29 N ATOM 257 CA ILE A 19 1.496 12.384 -1.122 1.00 0.33 C ATOM 258 C ILE A 19 0.876 13.778 -1.233 1.00 0.40 C ATOM 259 O ILE A 19 1.319 14.708 -0.557 1.00 0.59 O ATOM 260 CB ILE A 19 2.992 12.477 -1.460 1.00 0.37 C ATOM 261 CG1 ILE A 19 3.200 12.672 -2.965 1.00 0.44 C ATOM 262 CG2 ILE A 19 3.725 11.240 -0.967 1.00 0.37 C ATOM 263 CD1 ILE A 19 4.652 12.614 -3.384 1.00 0.53 C ATOM 0 H ILE A 19 1.412 10.974 -2.677 1.00 0.29 H new ATOM 0 HA ILE A 19 1.358 12.050 -0.094 1.00 0.33 H new ATOM 0 HB ILE A 19 3.406 13.347 -0.950 1.00 0.37 H new ATOM 0 HG12 ILE A 19 2.643 11.905 -3.503 1.00 0.44 H new ATOM 0 HG13 ILE A 19 2.783 13.635 -3.260 1.00 0.44 H new ATOM 0 HG21 ILE A 19 4.783 11.322 -1.214 1.00 0.37 H new ATOM 0 HG22 ILE A 19 3.610 11.156 0.114 1.00 0.37 H new ATOM 0 HG23 ILE A 19 3.308 10.355 -1.446 1.00 0.37 H new ATOM 0 HD11 ILE A 19 4.726 12.760 -4.462 1.00 0.53 H new ATOM 0 HD12 ILE A 19 5.210 13.399 -2.873 1.00 0.53 H new ATOM 0 HD13 ILE A 19 5.068 11.642 -3.120 1.00 0.53 H new ATOM 275 N ASN A 20 -0.130 13.934 -2.081 1.00 0.40 N ATOM 276 CA ASN A 20 -0.856 15.196 -2.170 1.00 0.46 C ATOM 277 C ASN A 20 -2.226 15.051 -1.519 1.00 0.40 C ATOM 278 O ASN A 20 -3.074 15.940 -1.606 1.00 0.49 O ATOM 279 CB ASN A 20 -1.011 15.641 -3.626 1.00 0.56 C ATOM 280 CG ASN A 20 0.322 15.861 -4.310 1.00 0.95 C ATOM 281 OD1 ASN A 20 0.899 16.948 -4.250 1.00 1.96 O ATOM 282 ND2 ASN A 20 0.813 14.832 -4.976 1.00 0.83 N ATOM 0 H ASN A 20 -0.462 13.207 -2.715 1.00 0.40 H new ATOM 0 HA ASN A 20 -0.283 15.959 -1.642 1.00 0.46 H new ATOM 0 HB2 ASN A 20 -1.577 14.888 -4.174 1.00 0.56 H new ATOM 0 HB3 ASN A 20 -1.590 16.564 -3.661 1.00 0.56 H new ATOM 0 HD21 ASN A 20 1.703 14.920 -5.467 1.00 0.83 H new ATOM 0 HD22 ASN A 20 0.302 13.949 -5.000 1.00 0.83 H new ATOM 289 N GLY A 21 -2.435 13.904 -0.889 1.00 0.31 N ATOM 290 CA GLY A 21 -3.691 13.625 -0.219 1.00 0.29 C ATOM 291 C GLY A 21 -4.689 13.039 -1.180 1.00 0.27 C ATOM 292 O GLY A 21 -5.852 12.826 -0.845 1.00 0.32 O ATOM 0 H GLY A 21 -1.748 13.152 -0.829 1.00 0.31 H new ATOM 0 HA2 GLY A 21 -3.523 12.932 0.605 1.00 0.29 H new ATOM 0 HA3 GLY A 21 -4.090 14.543 0.213 1.00 0.29 H new ATOM 296 N GLN A 22 -4.209 12.766 -2.381 1.00 0.26 N ATOM 297 CA GLN A 22 -5.047 12.286 -3.456 1.00 0.25 C ATOM 298 C GLN A 22 -5.353 10.801 -3.302 1.00 0.19 C ATOM 299 O GLN A 22 -4.451 9.968 -3.331 1.00 0.18 O ATOM 300 CB GLN A 22 -4.348 12.545 -4.787 1.00 0.32 C ATOM 301 CG GLN A 22 -4.059 14.017 -5.058 1.00 0.48 C ATOM 302 CD GLN A 22 -5.248 14.804 -5.595 1.00 1.39 C ATOM 303 OE1 GLN A 22 -6.464 14.416 -5.237 1.00 2.21 O flip ATOM 304 NE2 GLN A 22 -5.067 15.770 -6.335 1.00 2.08 N flip ATOM 0 H GLN A 22 -3.227 12.872 -2.634 1.00 0.26 H new ATOM 0 HA GLN A 22 -5.996 12.821 -3.425 1.00 0.25 H new ATOM 0 HB2 GLN A 22 -3.409 11.991 -4.807 1.00 0.32 H new ATOM 0 HB3 GLN A 22 -4.967 12.152 -5.594 1.00 0.32 H new ATOM 0 HG2 GLN A 22 -3.718 14.484 -4.134 1.00 0.48 H new ATOM 0 HG3 GLN A 22 -3.239 14.088 -5.773 1.00 0.48 H new ATOM 0 HE21 GLN A 22 -4.119 16.044 -6.593 1.00 2.08 H new ATOM 0 HE22 GLN A 22 -5.865 16.297 -6.691 1.00 2.08 H new ATOM 313 N GLU A 23 -6.627 10.484 -3.138 1.00 0.21 N ATOM 314 CA GLU A 23 -7.068 9.107 -3.005 1.00 0.16 C ATOM 315 C GLU A 23 -7.170 8.442 -4.374 1.00 0.19 C ATOM 316 O GLU A 23 -7.805 8.963 -5.291 1.00 0.28 O ATOM 317 CB GLU A 23 -8.407 9.061 -2.269 1.00 0.19 C ATOM 318 CG GLU A 23 -9.133 7.740 -2.342 1.00 0.58 C ATOM 319 CD GLU A 23 -10.567 7.869 -1.880 1.00 0.78 C ATOM 320 OE1 GLU A 23 -11.422 8.275 -2.691 1.00 1.00 O ATOM 321 OE2 GLU A 23 -10.846 7.582 -0.699 1.00 0.97 O ATOM 0 H GLU A 23 -7.380 11.170 -3.094 1.00 0.21 H new ATOM 0 HA GLU A 23 -6.333 8.552 -2.421 1.00 0.16 H new ATOM 0 HB2 GLU A 23 -8.236 9.307 -1.221 1.00 0.19 H new ATOM 0 HB3 GLU A 23 -9.055 9.837 -2.677 1.00 0.19 H new ATOM 0 HG2 GLU A 23 -9.112 7.368 -3.366 1.00 0.58 H new ATOM 0 HG3 GLU A 23 -8.616 7.005 -1.725 1.00 0.58 H new ATOM 328 N ARG A 24 -6.506 7.308 -4.505 1.00 0.21 N ATOM 329 CA ARG A 24 -6.492 6.541 -5.736 1.00 0.30 C ATOM 330 C ARG A 24 -6.817 5.084 -5.424 1.00 0.27 C ATOM 331 O ARG A 24 -6.444 4.579 -4.368 1.00 0.33 O ATOM 332 CB ARG A 24 -5.107 6.675 -6.382 1.00 0.43 C ATOM 333 CG ARG A 24 -4.411 5.359 -6.683 1.00 0.45 C ATOM 334 CD ARG A 24 -2.961 5.579 -7.068 1.00 0.51 C ATOM 335 NE ARG A 24 -2.298 4.322 -7.393 1.00 0.66 N ATOM 336 CZ ARG A 24 -1.105 3.955 -6.930 1.00 0.75 C ATOM 337 NH1 ARG A 24 -0.439 4.730 -6.080 1.00 1.55 N ATOM 338 NH2 ARG A 24 -0.595 2.793 -7.299 1.00 1.22 N ATOM 0 H ARG A 24 -5.957 6.891 -3.754 1.00 0.21 H new ATOM 0 HA ARG A 24 -7.242 6.915 -6.433 1.00 0.30 H new ATOM 0 HB2 ARG A 24 -5.208 7.236 -7.311 1.00 0.43 H new ATOM 0 HB3 ARG A 24 -4.470 7.263 -5.722 1.00 0.43 H new ATOM 0 HG2 ARG A 24 -4.463 4.709 -5.809 1.00 0.45 H new ATOM 0 HG3 ARG A 24 -4.931 4.847 -7.493 1.00 0.45 H new ATOM 0 HD2 ARG A 24 -2.909 6.251 -7.924 1.00 0.51 H new ATOM 0 HD3 ARG A 24 -2.436 6.067 -6.247 1.00 0.51 H new ATOM 0 HE ARG A 24 -2.782 3.679 -8.019 1.00 0.66 H new ATOM 0 HH11 ARG A 24 -0.841 5.617 -5.776 1.00 1.55 H new ATOM 0 HH12 ARG A 24 0.474 4.438 -5.732 1.00 1.55 H new ATOM 0 HH21 ARG A 24 -1.115 2.186 -7.933 1.00 1.22 H new ATOM 0 HH22 ARG A 24 0.318 2.503 -6.950 1.00 1.22 H new ATOM 352 N VAL A 25 -7.529 4.418 -6.320 1.00 0.26 N ATOM 353 CA VAL A 25 -7.876 3.020 -6.109 1.00 0.25 C ATOM 354 C VAL A 25 -6.683 2.128 -6.423 1.00 0.23 C ATOM 355 O VAL A 25 -5.907 2.406 -7.340 1.00 0.32 O ATOM 356 CB VAL A 25 -9.097 2.587 -6.960 1.00 0.31 C ATOM 357 CG1 VAL A 25 -8.752 2.517 -8.443 1.00 0.35 C ATOM 358 CG2 VAL A 25 -9.648 1.256 -6.471 1.00 0.32 C ATOM 0 H VAL A 25 -7.875 4.817 -7.192 1.00 0.26 H new ATOM 0 HA VAL A 25 -8.149 2.909 -5.060 1.00 0.25 H new ATOM 0 HB VAL A 25 -9.869 3.347 -6.839 1.00 0.31 H new ATOM 0 HG11 VAL A 25 -9.633 2.210 -9.007 1.00 0.35 H new ATOM 0 HG12 VAL A 25 -8.424 3.498 -8.787 1.00 0.35 H new ATOM 0 HG13 VAL A 25 -7.952 1.793 -8.597 1.00 0.35 H new ATOM 0 HG21 VAL A 25 -10.504 0.970 -7.082 1.00 0.32 H new ATOM 0 HG22 VAL A 25 -8.875 0.491 -6.549 1.00 0.32 H new ATOM 0 HG23 VAL A 25 -9.960 1.351 -5.431 1.00 0.32 H new ATOM 368 N LEU A 26 -6.523 1.076 -5.645 1.00 0.16 N ATOM 369 CA LEU A 26 -5.442 0.134 -5.867 1.00 0.15 C ATOM 370 C LEU A 26 -5.978 -1.174 -6.418 1.00 0.15 C ATOM 371 O LEU A 26 -6.931 -1.741 -5.884 1.00 0.28 O ATOM 372 CB LEU A 26 -4.664 -0.135 -4.577 1.00 0.15 C ATOM 373 CG LEU A 26 -3.819 1.026 -4.052 1.00 0.17 C ATOM 374 CD1 LEU A 26 -2.925 0.554 -2.918 1.00 0.23 C ATOM 375 CD2 LEU A 26 -2.983 1.634 -5.166 1.00 0.32 C ATOM 0 H LEU A 26 -7.127 0.851 -4.854 1.00 0.16 H new ATOM 0 HA LEU A 26 -4.764 0.581 -6.594 1.00 0.15 H new ATOM 0 HB2 LEU A 26 -5.373 -0.423 -3.801 1.00 0.15 H new ATOM 0 HB3 LEU A 26 -4.009 -0.990 -4.742 1.00 0.15 H new ATOM 0 HG LEU A 26 -4.492 1.795 -3.673 1.00 0.17 H new ATOM 0 HD11 LEU A 26 -2.328 1.390 -2.553 1.00 0.23 H new ATOM 0 HD12 LEU A 26 -3.541 0.166 -2.107 1.00 0.23 H new ATOM 0 HD13 LEU A 26 -2.263 -0.233 -3.280 1.00 0.23 H new ATOM 0 HD21 LEU A 26 -2.391 2.458 -4.768 1.00 0.32 H new ATOM 0 HD22 LEU A 26 -2.318 0.875 -5.578 1.00 0.32 H new ATOM 0 HD23 LEU A 26 -3.640 2.006 -5.952 1.00 0.32 H new ATOM 387 N LYS A 27 -5.386 -1.621 -7.507 1.00 0.30 N ATOM 388 CA LYS A 27 -5.669 -2.927 -8.063 1.00 0.27 C ATOM 389 C LYS A 27 -4.442 -3.800 -7.877 1.00 0.21 C ATOM 390 O LYS A 27 -3.452 -3.357 -7.291 1.00 0.26 O ATOM 391 CB LYS A 27 -6.000 -2.800 -9.548 1.00 0.42 C ATOM 392 CG LYS A 27 -6.964 -1.684 -9.865 1.00 0.61 C ATOM 393 CD LYS A 27 -7.271 -1.662 -11.339 1.00 0.83 C ATOM 394 CE LYS A 27 -7.970 -0.384 -11.734 1.00 1.09 C ATOM 395 NZ LYS A 27 -9.402 -0.376 -11.336 1.00 1.65 N ATOM 0 H LYS A 27 -4.694 -1.087 -8.032 1.00 0.30 H new ATOM 0 HA LYS A 27 -6.525 -3.373 -7.556 1.00 0.27 H new ATOM 0 HB2 LYS A 27 -5.076 -2.638 -10.104 1.00 0.42 H new ATOM 0 HB3 LYS A 27 -6.422 -3.742 -9.898 1.00 0.42 H new ATOM 0 HG2 LYS A 27 -7.885 -1.817 -9.297 1.00 0.61 H new ATOM 0 HG3 LYS A 27 -6.537 -0.728 -9.561 1.00 0.61 H new ATOM 0 HD2 LYS A 27 -6.346 -1.764 -11.907 1.00 0.83 H new ATOM 0 HD3 LYS A 27 -7.898 -2.516 -11.595 1.00 0.83 H new ATOM 0 HE2 LYS A 27 -7.462 0.463 -11.272 1.00 1.09 H new ATOM 0 HE3 LYS A 27 -7.895 -0.250 -12.813 1.00 1.09 H new ATOM 0 HZ1 LYS A 27 -9.839 0.521 -11.629 1.00 1.65 H new ATOM 0 HZ2 LYS A 27 -9.895 -1.167 -11.797 1.00 1.65 H new ATOM 0 HZ3 LYS A 27 -9.476 -0.476 -10.304 1.00 1.65 H new ATOM 409 N LEU A 28 -4.485 -5.028 -8.358 1.00 0.19 N ATOM 410 CA LEU A 28 -3.292 -5.855 -8.322 1.00 0.16 C ATOM 411 C LEU A 28 -2.272 -5.300 -9.294 1.00 0.18 C ATOM 412 O LEU A 28 -2.632 -4.795 -10.358 1.00 0.21 O ATOM 413 CB LEU A 28 -3.560 -7.305 -8.699 1.00 0.15 C ATOM 414 CG LEU A 28 -2.644 -8.301 -7.989 1.00 0.16 C ATOM 415 CD1 LEU A 28 -3.347 -8.892 -6.782 1.00 0.23 C ATOM 416 CD2 LEU A 28 -2.164 -9.391 -8.931 1.00 0.15 C ATOM 0 H LEU A 28 -5.309 -5.467 -8.768 1.00 0.19 H new ATOM 0 HA LEU A 28 -2.928 -5.836 -7.295 1.00 0.16 H new ATOM 0 HB2 LEU A 28 -4.597 -7.547 -8.465 1.00 0.15 H new ATOM 0 HB3 LEU A 28 -3.441 -7.419 -9.776 1.00 0.15 H new ATOM 0 HG LEU A 28 -1.761 -7.762 -7.647 1.00 0.16 H new ATOM 0 HD11 LEU A 28 -2.684 -9.600 -6.285 1.00 0.23 H new ATOM 0 HD12 LEU A 28 -3.611 -8.094 -6.088 1.00 0.23 H new ATOM 0 HD13 LEU A 28 -4.252 -9.407 -7.104 1.00 0.23 H new ATOM 0 HD21 LEU A 28 -1.515 -10.080 -8.390 1.00 0.15 H new ATOM 0 HD22 LEU A 28 -3.022 -9.935 -9.325 1.00 0.15 H new ATOM 0 HD23 LEU A 28 -1.609 -8.942 -9.755 1.00 0.15 H new ATOM 428 N GLY A 29 -1.009 -5.392 -8.934 1.00 0.19 N ATOM 429 CA GLY A 29 0.031 -4.927 -9.813 1.00 0.21 C ATOM 430 C GLY A 29 0.218 -3.428 -9.748 1.00 0.19 C ATOM 431 O GLY A 29 1.028 -2.866 -10.487 1.00 0.24 O ATOM 0 H GLY A 29 -0.685 -5.781 -8.048 1.00 0.19 H new ATOM 0 HA2 GLY A 29 0.969 -5.418 -9.553 1.00 0.21 H new ATOM 0 HA3 GLY A 29 -0.207 -5.216 -10.837 1.00 0.21 H new ATOM 435 N ASP A 30 -0.536 -2.766 -8.874 1.00 0.19 N ATOM 436 CA ASP A 30 -0.342 -1.343 -8.655 1.00 0.16 C ATOM 437 C ASP A 30 0.961 -1.107 -7.929 1.00 0.13 C ATOM 438 O ASP A 30 1.383 -1.911 -7.098 1.00 0.16 O ATOM 439 CB ASP A 30 -1.472 -0.707 -7.846 1.00 0.21 C ATOM 440 CG ASP A 30 -2.433 0.100 -8.696 1.00 1.17 C ATOM 441 OD1 ASP A 30 -3.476 -0.442 -9.118 1.00 1.92 O ATOM 442 OD2 ASP A 30 -2.151 1.294 -8.935 1.00 1.48 O ATOM 0 H ASP A 30 -1.277 -3.189 -8.314 1.00 0.19 H new ATOM 0 HA ASP A 30 -0.330 -0.876 -9.640 1.00 0.16 H new ATOM 0 HB2 ASP A 30 -2.025 -1.491 -7.328 1.00 0.21 H new ATOM 0 HB3 ASP A 30 -1.043 -0.060 -7.081 1.00 0.21 H new ATOM 447 N PRO A 31 1.621 -0.009 -8.253 1.00 0.12 N ATOM 448 CA PRO A 31 2.874 0.378 -7.633 1.00 0.12 C ATOM 449 C PRO A 31 2.652 1.252 -6.399 1.00 0.13 C ATOM 450 O PRO A 31 1.824 2.163 -6.410 1.00 0.22 O ATOM 451 CB PRO A 31 3.518 1.171 -8.757 1.00 0.19 C ATOM 452 CG PRO A 31 2.369 1.909 -9.359 1.00 0.19 C ATOM 453 CD PRO A 31 1.201 0.956 -9.280 1.00 0.18 C ATOM 0 HA PRO A 31 3.467 -0.461 -7.268 1.00 0.12 H new ATOM 0 HB2 PRO A 31 4.282 1.852 -8.382 1.00 0.19 H new ATOM 0 HB3 PRO A 31 4.002 0.518 -9.484 1.00 0.19 H new ATOM 0 HG2 PRO A 31 2.163 2.830 -8.813 1.00 0.19 H new ATOM 0 HG3 PRO A 31 2.579 2.190 -10.391 1.00 0.19 H new ATOM 0 HD2 PRO A 31 0.282 1.469 -8.998 1.00 0.18 H new ATOM 0 HD3 PRO A 31 1.014 0.469 -10.237 1.00 0.18 H new ATOM 461 N ILE A 32 3.372 0.968 -5.338 1.00 0.10 N ATOM 462 CA ILE A 32 3.279 1.754 -4.131 1.00 0.11 C ATOM 463 C ILE A 32 4.408 2.757 -4.093 1.00 0.11 C ATOM 464 O ILE A 32 5.554 2.426 -4.387 1.00 0.12 O ATOM 465 CB ILE A 32 3.326 0.866 -2.877 1.00 0.11 C ATOM 466 CG1 ILE A 32 2.049 0.033 -2.776 1.00 0.11 C ATOM 467 CG2 ILE A 32 3.530 1.697 -1.624 1.00 0.13 C ATOM 468 CD1 ILE A 32 0.792 0.854 -2.562 1.00 0.13 C ATOM 0 H ILE A 32 4.033 0.193 -5.288 1.00 0.10 H new ATOM 0 HA ILE A 32 2.322 2.275 -4.136 1.00 0.11 H new ATOM 0 HB ILE A 32 4.177 0.191 -2.966 1.00 0.11 H new ATOM 0 HG12 ILE A 32 1.937 -0.553 -3.688 1.00 0.11 H new ATOM 0 HG13 ILE A 32 2.153 -0.674 -1.953 1.00 0.11 H new ATOM 0 HG21 ILE A 32 3.559 1.042 -0.754 1.00 0.13 H new ATOM 0 HG22 ILE A 32 4.470 2.243 -1.699 1.00 0.13 H new ATOM 0 HG23 ILE A 32 2.707 2.404 -1.518 1.00 0.13 H new ATOM 0 HD11 ILE A 32 -0.070 0.190 -2.501 1.00 0.13 H new ATOM 0 HD12 ILE A 32 0.881 1.420 -1.635 1.00 0.13 H new ATOM 0 HD13 ILE A 32 0.661 1.543 -3.396 1.00 0.13 H new ATOM 480 N PHE A 33 4.074 3.973 -3.738 1.00 0.12 N ATOM 481 CA PHE A 33 5.040 5.048 -3.698 1.00 0.13 C ATOM 482 C PHE A 33 5.274 5.481 -2.257 1.00 0.12 C ATOM 483 O PHE A 33 4.353 5.456 -1.435 1.00 0.14 O ATOM 484 CB PHE A 33 4.556 6.222 -4.554 1.00 0.15 C ATOM 485 CG PHE A 33 4.290 5.849 -5.988 1.00 0.17 C ATOM 486 CD1 PHE A 33 5.294 5.916 -6.942 1.00 0.19 C ATOM 487 CD2 PHE A 33 3.033 5.431 -6.379 1.00 0.25 C ATOM 488 CE1 PHE A 33 5.043 5.571 -8.258 1.00 0.22 C ATOM 489 CE2 PHE A 33 2.775 5.085 -7.690 1.00 0.29 C ATOM 490 CZ PHE A 33 3.820 5.168 -8.640 1.00 0.25 C ATOM 0 H PHE A 33 3.129 4.247 -3.469 1.00 0.12 H new ATOM 0 HA PHE A 33 5.987 4.697 -4.108 1.00 0.13 H new ATOM 0 HB2 PHE A 33 3.644 6.628 -4.117 1.00 0.15 H new ATOM 0 HB3 PHE A 33 5.304 7.015 -4.526 1.00 0.15 H new ATOM 0 HD1 PHE A 33 6.283 6.241 -6.655 1.00 0.19 H new ATOM 0 HD2 PHE A 33 2.240 5.374 -5.648 1.00 0.25 H new ATOM 0 HE1 PHE A 33 5.839 5.626 -8.986 1.00 0.22 H new ATOM 0 HE2 PHE A 33 1.790 4.756 -7.986 1.00 0.29 H new ATOM 0 HZ PHE A 33 3.635 4.908 -9.672 1.00 0.25 H new ATOM 500 N PHE A 34 6.510 5.850 -1.949 1.00 0.11 N ATOM 501 CA PHE A 34 6.879 6.226 -0.587 1.00 0.11 C ATOM 502 C PHE A 34 6.160 7.506 -0.188 1.00 0.11 C ATOM 503 O PHE A 34 6.472 8.586 -0.694 1.00 0.18 O ATOM 504 CB PHE A 34 8.395 6.432 -0.481 1.00 0.11 C ATOM 505 CG PHE A 34 8.989 5.989 0.833 1.00 0.12 C ATOM 506 CD1 PHE A 34 8.865 6.773 1.966 1.00 0.15 C ATOM 507 CD2 PHE A 34 9.683 4.790 0.931 1.00 0.14 C ATOM 508 CE1 PHE A 34 9.420 6.372 3.166 1.00 0.17 C ATOM 509 CE2 PHE A 34 10.238 4.385 2.124 1.00 0.16 C ATOM 510 CZ PHE A 34 10.108 5.177 3.245 1.00 0.16 C ATOM 0 H PHE A 34 7.275 5.898 -2.622 1.00 0.11 H new ATOM 0 HA PHE A 34 6.584 5.421 0.087 1.00 0.11 H new ATOM 0 HB2 PHE A 34 8.882 5.886 -1.289 1.00 0.11 H new ATOM 0 HB3 PHE A 34 8.618 7.488 -0.630 1.00 0.11 H new ATOM 0 HD1 PHE A 34 8.328 7.709 1.912 1.00 0.15 H new ATOM 0 HD2 PHE A 34 9.789 4.165 0.057 1.00 0.14 H new ATOM 0 HE1 PHE A 34 9.316 6.994 4.043 1.00 0.17 H new ATOM 0 HE2 PHE A 34 10.774 3.449 2.182 1.00 0.16 H new ATOM 0 HZ PHE A 34 10.543 4.864 4.183 1.00 0.16 H new ATOM 520 N GLY A 35 5.199 7.385 0.715 1.00 0.10 N ATOM 521 CA GLY A 35 4.487 8.551 1.182 1.00 0.12 C ATOM 522 C GLY A 35 2.978 8.443 1.043 1.00 0.10 C ATOM 523 O GLY A 35 2.259 9.342 1.477 1.00 0.17 O ATOM 0 H GLY A 35 4.902 6.502 1.130 1.00 0.10 H new ATOM 0 HA2 GLY A 35 4.735 8.721 2.230 1.00 0.12 H new ATOM 0 HA3 GLY A 35 4.832 9.423 0.627 1.00 0.12 H new ATOM 527 N GLU A 36 2.476 7.363 0.446 1.00 0.12 N ATOM 528 CA GLU A 36 1.033 7.249 0.257 1.00 0.11 C ATOM 529 C GLU A 36 0.372 6.634 1.486 1.00 0.11 C ATOM 530 O GLU A 36 0.985 5.863 2.218 1.00 0.16 O ATOM 531 CB GLU A 36 0.672 6.445 -0.998 1.00 0.14 C ATOM 532 CG GLU A 36 1.422 6.870 -2.239 1.00 0.17 C ATOM 533 CD GLU A 36 0.948 6.147 -3.482 1.00 0.28 C ATOM 534 OE1 GLU A 36 1.378 4.996 -3.708 1.00 0.28 O ATOM 535 OE2 GLU A 36 0.143 6.737 -4.241 1.00 0.52 O ATOM 0 H GLU A 36 3.026 6.579 0.096 1.00 0.12 H new ATOM 0 HA GLU A 36 0.652 8.261 0.118 1.00 0.11 H new ATOM 0 HB2 GLU A 36 0.870 5.390 -0.810 1.00 0.14 H new ATOM 0 HB3 GLU A 36 -0.398 6.540 -1.182 1.00 0.14 H new ATOM 0 HG2 GLU A 36 1.304 7.944 -2.381 1.00 0.17 H new ATOM 0 HG3 GLU A 36 2.486 6.683 -2.098 1.00 0.17 H new ATOM 542 N THR A 37 -0.876 7.001 1.702 1.00 0.11 N ATOM 543 CA THR A 37 -1.629 6.568 2.866 1.00 0.12 C ATOM 544 C THR A 37 -2.746 5.611 2.460 1.00 0.11 C ATOM 545 O THR A 37 -3.745 6.023 1.885 1.00 0.12 O ATOM 546 CB THR A 37 -2.243 7.787 3.574 1.00 0.13 C ATOM 547 OG1 THR A 37 -1.229 8.769 3.814 1.00 0.16 O ATOM 548 CG2 THR A 37 -2.880 7.384 4.886 1.00 0.14 C ATOM 0 H THR A 37 -1.400 7.610 1.073 1.00 0.11 H new ATOM 0 HA THR A 37 -0.947 6.052 3.542 1.00 0.12 H new ATOM 0 HB THR A 37 -3.015 8.207 2.929 1.00 0.13 H new ATOM 0 HG1 THR A 37 -1.625 9.545 4.264 1.00 0.16 H new ATOM 0 HG21 THR A 37 -3.307 8.263 5.368 1.00 0.14 H new ATOM 0 HG22 THR A 37 -3.667 6.654 4.699 1.00 0.14 H new ATOM 0 HG23 THR A 37 -2.125 6.944 5.537 1.00 0.14 H new ATOM 556 N VAL A 38 -2.587 4.338 2.766 1.00 0.12 N ATOM 557 CA VAL A 38 -3.531 3.332 2.302 1.00 0.12 C ATOM 558 C VAL A 38 -4.798 3.330 3.149 1.00 0.13 C ATOM 559 O VAL A 38 -4.737 3.286 4.375 1.00 0.16 O ATOM 560 CB VAL A 38 -2.925 1.920 2.314 1.00 0.15 C ATOM 561 CG1 VAL A 38 -3.739 0.991 1.423 1.00 0.15 C ATOM 562 CG2 VAL A 38 -1.469 1.948 1.878 1.00 0.16 C ATOM 0 H VAL A 38 -1.819 3.974 3.330 1.00 0.12 H new ATOM 0 HA VAL A 38 -3.777 3.599 1.274 1.00 0.12 H new ATOM 0 HB VAL A 38 -2.959 1.540 3.335 1.00 0.15 H new ATOM 0 HG11 VAL A 38 -3.300 -0.006 1.440 1.00 0.15 H new ATOM 0 HG12 VAL A 38 -4.765 0.942 1.789 1.00 0.15 H new ATOM 0 HG13 VAL A 38 -3.736 1.372 0.402 1.00 0.15 H new ATOM 0 HG21 VAL A 38 -1.064 0.936 1.895 1.00 0.16 H new ATOM 0 HG22 VAL A 38 -1.400 2.349 0.867 1.00 0.16 H new ATOM 0 HG23 VAL A 38 -0.897 2.579 2.559 1.00 0.16 H new ATOM 572 N LEU A 39 -5.932 3.379 2.476 1.00 0.15 N ATOM 573 CA LEU A 39 -7.233 3.366 3.122 1.00 0.15 C ATOM 574 C LEU A 39 -7.966 2.078 2.784 1.00 0.17 C ATOM 575 O LEU A 39 -8.559 1.959 1.710 1.00 0.27 O ATOM 576 CB LEU A 39 -8.073 4.553 2.648 1.00 0.16 C ATOM 577 CG LEU A 39 -7.425 5.922 2.812 1.00 0.16 C ATOM 578 CD1 LEU A 39 -6.962 6.452 1.465 1.00 0.20 C ATOM 579 CD2 LEU A 39 -8.395 6.887 3.472 1.00 0.27 C ATOM 0 H LEU A 39 -5.978 3.429 1.458 1.00 0.15 H new ATOM 0 HA LEU A 39 -7.083 3.435 4.199 1.00 0.15 H new ATOM 0 HB2 LEU A 39 -8.314 4.408 1.595 1.00 0.16 H new ATOM 0 HB3 LEU A 39 -9.016 4.549 3.194 1.00 0.16 H new ATOM 0 HG LEU A 39 -6.551 5.824 3.456 1.00 0.16 H new ATOM 0 HD11 LEU A 39 -6.501 7.431 1.598 1.00 0.20 H new ATOM 0 HD12 LEU A 39 -6.235 5.764 1.034 1.00 0.20 H new ATOM 0 HD13 LEU A 39 -7.818 6.542 0.796 1.00 0.20 H new ATOM 0 HD21 LEU A 39 -7.920 7.862 3.583 1.00 0.27 H new ATOM 0 HD22 LEU A 39 -9.287 6.987 2.853 1.00 0.27 H new ATOM 0 HD23 LEU A 39 -8.676 6.506 4.454 1.00 0.27 H new ATOM 591 N THR A 40 -7.922 1.108 3.677 1.00 0.14 N ATOM 592 CA THR A 40 -8.637 -0.133 3.455 1.00 0.16 C ATOM 593 C THR A 40 -9.978 -0.081 4.163 1.00 0.18 C ATOM 594 O THR A 40 -10.150 0.648 5.138 1.00 0.22 O ATOM 595 CB THR A 40 -7.839 -1.365 3.929 1.00 0.20 C ATOM 596 OG1 THR A 40 -7.569 -1.294 5.332 1.00 0.23 O ATOM 597 CG2 THR A 40 -6.529 -1.482 3.166 1.00 0.22 C ATOM 0 H THR A 40 -7.404 1.154 4.555 1.00 0.14 H new ATOM 0 HA THR A 40 -8.784 -0.239 2.380 1.00 0.16 H new ATOM 0 HB THR A 40 -8.448 -2.247 3.733 1.00 0.20 H new ATOM 0 HG1 THR A 40 -7.383 -2.193 5.675 1.00 0.23 H new ATOM 0 HG21 THR A 40 -5.981 -2.357 3.515 1.00 0.22 H new ATOM 0 HG22 THR A 40 -6.736 -1.585 2.101 1.00 0.22 H new ATOM 0 HG23 THR A 40 -5.929 -0.588 3.334 1.00 0.22 H new ATOM 605 N GLY A 41 -10.931 -0.824 3.643 1.00 0.22 N ATOM 606 CA GLY A 41 -12.241 -0.879 4.241 1.00 0.27 C ATOM 607 C GLY A 41 -12.567 -2.265 4.730 1.00 0.43 C ATOM 608 O GLY A 41 -11.657 -3.054 5.002 1.00 0.90 O ATOM 0 H GLY A 41 -10.820 -1.398 2.807 1.00 0.22 H new ATOM 0 HA2 GLY A 41 -12.292 -0.177 5.073 1.00 0.27 H new ATOM 0 HA3 GLY A 41 -12.988 -0.564 3.512 1.00 0.27 H new ATOM 612 N GLY A 42 -13.852 -2.567 4.833 1.00 0.55 N ATOM 613 CA GLY A 42 -14.274 -3.873 5.292 1.00 0.61 C ATOM 614 C GLY A 42 -13.704 -4.993 4.445 1.00 0.85 C ATOM 615 O GLY A 42 -13.795 -4.951 3.213 1.00 1.79 O ATOM 0 H GLY A 42 -14.613 -1.927 4.606 1.00 0.55 H new ATOM 0 HA2 GLY A 42 -13.963 -4.010 6.328 1.00 0.61 H new ATOM 0 HA3 GLY A 42 -15.363 -3.927 5.276 1.00 0.61 H new ATOM 619 N SER A 43 -13.091 -5.969 5.113 1.00 0.67 N ATOM 620 CA SER A 43 -12.509 -7.141 4.460 1.00 0.80 C ATOM 621 C SER A 43 -11.281 -6.770 3.626 1.00 0.74 C ATOM 622 O SER A 43 -10.874 -7.517 2.737 1.00 1.24 O ATOM 623 CB SER A 43 -13.551 -7.837 3.580 1.00 1.08 C ATOM 624 OG SER A 43 -14.742 -8.094 4.309 1.00 1.64 O ATOM 0 H SER A 43 -12.983 -5.969 6.127 1.00 0.67 H new ATOM 0 HA SER A 43 -12.188 -7.827 5.244 1.00 0.80 H new ATOM 0 HB2 SER A 43 -13.777 -7.213 2.715 1.00 1.08 H new ATOM 0 HB3 SER A 43 -13.144 -8.774 3.200 1.00 1.08 H new ATOM 0 HG SER A 43 -15.393 -8.537 3.726 1.00 1.64 H new ATOM 630 N GLY A 44 -10.694 -5.618 3.920 1.00 0.41 N ATOM 631 CA GLY A 44 -9.519 -5.175 3.195 1.00 0.35 C ATOM 632 C GLY A 44 -8.282 -5.990 3.534 1.00 0.44 C ATOM 633 O GLY A 44 -8.029 -6.287 4.702 1.00 0.89 O ATOM 0 H GLY A 44 -11.011 -4.980 4.650 1.00 0.41 H new ATOM 0 HA2 GLY A 44 -9.711 -5.241 2.124 1.00 0.35 H new ATOM 0 HA3 GLY A 44 -9.331 -4.125 3.421 1.00 0.35 H new ATOM 637 N SER A 45 -7.538 -6.388 2.514 1.00 0.22 N ATOM 638 CA SER A 45 -6.245 -7.038 2.690 1.00 0.25 C ATOM 639 C SER A 45 -5.381 -6.767 1.472 1.00 0.27 C ATOM 640 O SER A 45 -5.861 -6.820 0.349 1.00 0.49 O ATOM 641 CB SER A 45 -6.399 -8.544 2.879 1.00 0.30 C ATOM 642 OG SER A 45 -7.131 -8.847 4.056 1.00 0.85 O ATOM 0 H SER A 45 -7.812 -6.270 1.539 1.00 0.22 H new ATOM 0 HA SER A 45 -5.776 -6.631 3.586 1.00 0.25 H new ATOM 0 HB2 SER A 45 -6.906 -8.971 2.014 1.00 0.30 H new ATOM 0 HB3 SER A 45 -5.414 -9.008 2.932 1.00 0.30 H new ATOM 0 HG SER A 45 -7.400 -8.014 4.497 1.00 0.85 H new ATOM 648 N VAL A 46 -4.122 -6.452 1.685 1.00 0.15 N ATOM 649 CA VAL A 46 -3.227 -6.128 0.578 1.00 0.13 C ATOM 650 C VAL A 46 -1.817 -6.608 0.875 1.00 0.14 C ATOM 651 O VAL A 46 -1.328 -6.457 1.989 1.00 0.25 O ATOM 652 CB VAL A 46 -3.169 -4.608 0.309 1.00 0.16 C ATOM 653 CG1 VAL A 46 -2.414 -4.310 -0.974 1.00 0.21 C ATOM 654 CG2 VAL A 46 -4.551 -3.983 0.270 1.00 0.21 C ATOM 0 H VAL A 46 -3.689 -6.411 2.608 1.00 0.15 H new ATOM 0 HA VAL A 46 -3.626 -6.632 -0.303 1.00 0.13 H new ATOM 0 HB VAL A 46 -2.629 -4.158 1.142 1.00 0.16 H new ATOM 0 HG11 VAL A 46 -2.388 -3.233 -1.139 1.00 0.21 H new ATOM 0 HG12 VAL A 46 -1.395 -4.689 -0.893 1.00 0.21 H new ATOM 0 HG13 VAL A 46 -2.916 -4.794 -1.812 1.00 0.21 H new ATOM 0 HG21 VAL A 46 -4.461 -2.914 0.078 1.00 0.21 H new ATOM 0 HG22 VAL A 46 -5.137 -4.446 -0.524 1.00 0.21 H new ATOM 0 HG23 VAL A 46 -5.048 -4.140 1.227 1.00 0.21 H new ATOM 664 N THR A 47 -1.179 -7.185 -0.125 1.00 0.14 N ATOM 665 CA THR A 47 0.205 -7.590 -0.021 1.00 0.14 C ATOM 666 C THR A 47 1.069 -6.720 -0.916 1.00 0.12 C ATOM 667 O THR A 47 1.030 -6.835 -2.146 1.00 0.12 O ATOM 668 CB THR A 47 0.390 -9.063 -0.411 1.00 0.16 C ATOM 669 OG1 THR A 47 -0.345 -9.897 0.491 1.00 0.19 O ATOM 670 CG2 THR A 47 1.858 -9.459 -0.396 1.00 0.17 C ATOM 0 H THR A 47 -1.606 -7.385 -1.029 1.00 0.14 H new ATOM 0 HA THR A 47 0.509 -7.469 1.019 1.00 0.14 H new ATOM 0 HB THR A 47 0.014 -9.195 -1.425 1.00 0.16 H new ATOM 0 HG1 THR A 47 0.138 -10.739 0.625 1.00 0.19 H new ATOM 0 HG21 THR A 47 1.955 -10.508 -0.677 1.00 0.17 H new ATOM 0 HG22 THR A 47 2.409 -8.841 -1.105 1.00 0.17 H new ATOM 0 HG23 THR A 47 2.264 -9.312 0.605 1.00 0.17 H new ATOM 678 N ILE A 48 1.821 -5.834 -0.296 1.00 0.10 N ATOM 679 CA ILE A 48 2.723 -4.972 -1.022 1.00 0.10 C ATOM 680 C ILE A 48 4.125 -5.540 -0.984 1.00 0.10 C ATOM 681 O ILE A 48 4.817 -5.470 0.032 1.00 0.13 O ATOM 682 CB ILE A 48 2.710 -3.549 -0.450 1.00 0.11 C ATOM 683 CG1 ILE A 48 1.299 -2.988 -0.579 1.00 0.12 C ATOM 684 CG2 ILE A 48 3.722 -2.665 -1.177 1.00 0.13 C ATOM 685 CD1 ILE A 48 1.023 -1.809 0.316 1.00 0.15 C ATOM 0 H ILE A 48 1.823 -5.694 0.714 1.00 0.10 H new ATOM 0 HA ILE A 48 2.386 -4.921 -2.057 1.00 0.10 H new ATOM 0 HB ILE A 48 2.997 -3.570 0.601 1.00 0.11 H new ATOM 0 HG12 ILE A 48 1.130 -2.692 -1.614 1.00 0.12 H new ATOM 0 HG13 ILE A 48 0.583 -3.778 -0.353 1.00 0.12 H new ATOM 0 HG21 ILE A 48 3.696 -1.660 -0.756 1.00 0.13 H new ATOM 0 HG22 ILE A 48 4.722 -3.083 -1.058 1.00 0.13 H new ATOM 0 HG23 ILE A 48 3.471 -2.620 -2.237 1.00 0.13 H new ATOM 0 HD11 ILE A 48 -0.001 -1.469 0.164 1.00 0.15 H new ATOM 0 HD12 ILE A 48 1.157 -2.103 1.357 1.00 0.15 H new ATOM 0 HD13 ILE A 48 1.713 -1.000 0.075 1.00 0.15 H new ATOM 697 N ALA A 49 4.520 -6.135 -2.087 1.00 0.09 N ATOM 698 CA ALA A 49 5.851 -6.671 -2.219 1.00 0.10 C ATOM 699 C ALA A 49 6.821 -5.538 -2.503 1.00 0.09 C ATOM 700 O ALA A 49 6.838 -4.984 -3.603 1.00 0.11 O ATOM 701 CB ALA A 49 5.899 -7.715 -3.319 1.00 0.14 C ATOM 0 H ALA A 49 3.931 -6.259 -2.910 1.00 0.09 H new ATOM 0 HA ALA A 49 6.138 -7.159 -1.288 1.00 0.10 H new ATOM 0 HB1 ALA A 49 6.912 -8.108 -3.404 1.00 0.14 H new ATOM 0 HB2 ALA A 49 5.213 -8.528 -3.079 1.00 0.14 H new ATOM 0 HB3 ALA A 49 5.606 -7.260 -4.265 1.00 0.14 H new ATOM 707 N PHE A 50 7.596 -5.175 -1.501 1.00 0.09 N ATOM 708 CA PHE A 50 8.545 -4.087 -1.631 1.00 0.10 C ATOM 709 C PHE A 50 9.716 -4.504 -2.485 1.00 0.12 C ATOM 710 O PHE A 50 10.154 -5.655 -2.461 1.00 0.16 O ATOM 711 CB PHE A 50 9.013 -3.611 -0.262 1.00 0.11 C ATOM 712 CG PHE A 50 7.955 -2.845 0.467 1.00 0.13 C ATOM 713 CD1 PHE A 50 7.258 -3.435 1.508 1.00 0.27 C ATOM 714 CD2 PHE A 50 7.666 -1.539 0.125 1.00 0.22 C ATOM 715 CE1 PHE A 50 6.290 -2.734 2.195 1.00 0.32 C ATOM 716 CE2 PHE A 50 6.697 -0.836 0.808 1.00 0.28 C ATOM 717 CZ PHE A 50 5.982 -1.422 1.790 1.00 0.28 C ATOM 0 H PHE A 50 7.587 -5.620 -0.583 1.00 0.09 H new ATOM 0 HA PHE A 50 8.044 -3.253 -2.124 1.00 0.10 H new ATOM 0 HB2 PHE A 50 9.312 -4.472 0.336 1.00 0.11 H new ATOM 0 HB3 PHE A 50 9.896 -2.983 -0.381 1.00 0.11 H new ATOM 0 HD1 PHE A 50 7.475 -4.456 1.785 1.00 0.27 H new ATOM 0 HD2 PHE A 50 8.203 -1.065 -0.683 1.00 0.22 H new ATOM 0 HE1 PHE A 50 5.776 -3.185 3.031 1.00 0.32 H new ATOM 0 HE2 PHE A 50 6.508 0.196 0.554 1.00 0.28 H new ATOM 0 HZ PHE A 50 5.174 -0.885 2.265 1.00 0.28 H new ATOM 727 N VAL A 51 10.222 -3.545 -3.229 1.00 0.11 N ATOM 728 CA VAL A 51 11.193 -3.803 -4.267 1.00 0.14 C ATOM 729 C VAL A 51 12.578 -4.118 -3.682 1.00 0.16 C ATOM 730 O VAL A 51 13.482 -4.543 -4.400 1.00 0.25 O ATOM 731 CB VAL A 51 11.248 -2.596 -5.231 1.00 0.15 C ATOM 732 CG1 VAL A 51 12.011 -1.430 -4.633 1.00 0.16 C ATOM 733 CG2 VAL A 51 11.807 -2.997 -6.576 1.00 0.19 C ATOM 0 H VAL A 51 9.970 -2.562 -3.130 1.00 0.11 H new ATOM 0 HA VAL A 51 10.883 -4.687 -4.824 1.00 0.14 H new ATOM 0 HB VAL A 51 10.224 -2.257 -5.387 1.00 0.15 H new ATOM 0 HG11 VAL A 51 12.026 -0.603 -5.343 1.00 0.16 H new ATOM 0 HG12 VAL A 51 11.523 -1.110 -3.712 1.00 0.16 H new ATOM 0 HG13 VAL A 51 13.033 -1.738 -4.413 1.00 0.16 H new ATOM 0 HG21 VAL A 51 11.834 -2.128 -7.233 1.00 0.19 H new ATOM 0 HG22 VAL A 51 12.817 -3.387 -6.449 1.00 0.19 H new ATOM 0 HG23 VAL A 51 11.174 -3.767 -7.018 1.00 0.19 H new ATOM 743 N ASP A 52 12.718 -3.936 -2.369 1.00 0.17 N ATOM 744 CA ASP A 52 13.965 -4.257 -1.668 1.00 0.21 C ATOM 745 C ASP A 52 14.036 -5.750 -1.360 1.00 0.24 C ATOM 746 O ASP A 52 15.116 -6.303 -1.155 1.00 0.33 O ATOM 747 CB ASP A 52 14.057 -3.460 -0.362 1.00 0.28 C ATOM 748 CG ASP A 52 15.449 -3.450 0.245 1.00 0.56 C ATOM 749 OD1 ASP A 52 15.668 -4.138 1.261 1.00 0.75 O ATOM 750 OD2 ASP A 52 16.322 -2.725 -0.279 1.00 0.72 O ATOM 0 H ASP A 52 11.982 -3.567 -1.766 1.00 0.17 H new ATOM 0 HA ASP A 52 14.800 -3.988 -2.314 1.00 0.21 H new ATOM 0 HB2 ASP A 52 13.744 -2.433 -0.550 1.00 0.28 H new ATOM 0 HB3 ASP A 52 13.357 -3.880 0.361 1.00 0.28 H new ATOM 755 N GLY A 53 12.879 -6.406 -1.349 1.00 0.21 N ATOM 756 CA GLY A 53 12.840 -7.829 -1.066 1.00 0.26 C ATOM 757 C GLY A 53 11.849 -8.191 0.027 1.00 0.24 C ATOM 758 O GLY A 53 11.525 -9.363 0.214 1.00 0.27 O ATOM 0 H GLY A 53 11.971 -5.979 -1.530 1.00 0.21 H new ATOM 0 HA2 GLY A 53 12.580 -8.368 -1.977 1.00 0.26 H new ATOM 0 HA3 GLY A 53 13.835 -8.162 -0.771 1.00 0.26 H new ATOM 762 N THR A 54 11.373 -7.192 0.754 1.00 0.22 N ATOM 763 CA THR A 54 10.407 -7.415 1.820 1.00 0.22 C ATOM 764 C THR A 54 8.978 -7.386 1.289 1.00 0.19 C ATOM 765 O THR A 54 8.732 -6.899 0.188 1.00 0.25 O ATOM 766 CB THR A 54 10.566 -6.360 2.929 1.00 0.26 C ATOM 767 OG1 THR A 54 10.833 -5.076 2.346 1.00 0.29 O ATOM 768 CG2 THR A 54 11.686 -6.737 3.883 1.00 0.36 C ATOM 0 H THR A 54 11.640 -6.216 0.625 1.00 0.22 H new ATOM 0 HA THR A 54 10.603 -8.404 2.235 1.00 0.22 H new ATOM 0 HB THR A 54 9.635 -6.316 3.495 1.00 0.26 H new ATOM 0 HG1 THR A 54 10.932 -4.408 3.056 1.00 0.29 H new ATOM 0 HG21 THR A 54 11.777 -5.975 4.657 1.00 0.36 H new ATOM 0 HG22 THR A 54 11.462 -7.698 4.345 1.00 0.36 H new ATOM 0 HG23 THR A 54 12.624 -6.809 3.333 1.00 0.36 H new ATOM 776 N ASP A 55 8.041 -7.921 2.063 1.00 0.21 N ATOM 777 CA ASP A 55 6.628 -7.897 1.691 1.00 0.19 C ATOM 778 C ASP A 55 5.804 -7.502 2.906 1.00 0.25 C ATOM 779 O ASP A 55 6.184 -7.803 4.039 1.00 0.44 O ATOM 780 CB ASP A 55 6.145 -9.268 1.185 1.00 0.24 C ATOM 781 CG ASP A 55 7.066 -9.911 0.168 1.00 0.80 C ATOM 782 OD1 ASP A 55 6.900 -9.657 -1.043 1.00 1.51 O ATOM 783 OD2 ASP A 55 7.945 -10.700 0.572 1.00 0.80 O ATOM 0 H ASP A 55 8.233 -8.378 2.954 1.00 0.21 H new ATOM 0 HA ASP A 55 6.504 -7.176 0.883 1.00 0.19 H new ATOM 0 HB2 ASP A 55 6.036 -9.940 2.036 1.00 0.24 H new ATOM 0 HB3 ASP A 55 5.156 -9.152 0.742 1.00 0.24 H new ATOM 788 N VAL A 56 4.694 -6.816 2.685 1.00 0.16 N ATOM 789 CA VAL A 56 3.824 -6.413 3.774 1.00 0.21 C ATOM 790 C VAL A 56 2.384 -6.786 3.514 1.00 0.22 C ATOM 791 O VAL A 56 2.003 -7.116 2.390 1.00 0.30 O ATOM 792 CB VAL A 56 3.887 -4.903 4.019 1.00 0.27 C ATOM 793 CG1 VAL A 56 5.194 -4.519 4.675 1.00 1.39 C ATOM 794 CG2 VAL A 56 3.643 -4.156 2.729 1.00 1.29 C ATOM 0 H VAL A 56 4.376 -6.527 1.760 1.00 0.16 H new ATOM 0 HA VAL A 56 4.185 -6.945 4.654 1.00 0.21 H new ATOM 0 HB VAL A 56 3.096 -4.619 4.713 1.00 0.27 H new ATOM 0 HG11 VAL A 56 5.216 -3.442 4.839 1.00 1.39 H new ATOM 0 HG12 VAL A 56 5.286 -5.034 5.631 1.00 1.39 H new ATOM 0 HG13 VAL A 56 6.023 -4.804 4.028 1.00 1.39 H new ATOM 0 HG21 VAL A 56 3.690 -3.083 2.915 1.00 1.29 H new ATOM 0 HG22 VAL A 56 4.405 -4.431 1.999 1.00 1.29 H new ATOM 0 HG23 VAL A 56 2.658 -4.414 2.340 1.00 1.29 H new ATOM 804 N VAL A 57 1.592 -6.705 4.563 1.00 0.17 N ATOM 805 CA VAL A 57 0.172 -6.964 4.473 1.00 0.20 C ATOM 806 C VAL A 57 -0.609 -5.867 5.191 1.00 0.21 C ATOM 807 O VAL A 57 -0.230 -5.419 6.278 1.00 0.30 O ATOM 808 CB VAL A 57 -0.201 -8.354 5.043 1.00 0.28 C ATOM 809 CG1 VAL A 57 0.102 -8.445 6.532 1.00 0.81 C ATOM 810 CG2 VAL A 57 -1.667 -8.678 4.764 1.00 0.78 C ATOM 0 H VAL A 57 1.914 -6.458 5.499 1.00 0.17 H new ATOM 0 HA VAL A 57 -0.097 -6.964 3.417 1.00 0.20 H new ATOM 0 HB VAL A 57 0.416 -9.096 4.536 1.00 0.28 H new ATOM 0 HG11 VAL A 57 -0.172 -9.434 6.899 1.00 0.81 H new ATOM 0 HG12 VAL A 57 1.166 -8.279 6.698 1.00 0.81 H new ATOM 0 HG13 VAL A 57 -0.471 -7.688 7.067 1.00 0.81 H new ATOM 0 HG21 VAL A 57 -1.907 -9.659 5.173 1.00 0.78 H new ATOM 0 HG22 VAL A 57 -2.301 -7.925 5.231 1.00 0.78 H new ATOM 0 HG23 VAL A 57 -1.840 -8.681 3.688 1.00 0.78 H new ATOM 820 N ILE A 58 -1.670 -5.406 4.556 1.00 0.18 N ATOM 821 CA ILE A 58 -2.517 -4.382 5.137 1.00 0.22 C ATOM 822 C ILE A 58 -3.843 -4.994 5.559 1.00 0.29 C ATOM 823 O ILE A 58 -4.437 -5.775 4.812 1.00 0.32 O ATOM 824 CB ILE A 58 -2.771 -3.237 4.141 1.00 0.22 C ATOM 825 CG1 ILE A 58 -1.445 -2.769 3.535 1.00 0.20 C ATOM 826 CG2 ILE A 58 -3.478 -2.080 4.838 1.00 0.29 C ATOM 827 CD1 ILE A 58 -1.596 -1.613 2.581 1.00 0.25 C ATOM 0 H ILE A 58 -1.967 -5.726 3.634 1.00 0.18 H new ATOM 0 HA ILE A 58 -2.005 -3.970 6.007 1.00 0.22 H new ATOM 0 HB ILE A 58 -3.413 -3.600 3.339 1.00 0.22 H new ATOM 0 HG12 ILE A 58 -0.769 -2.480 4.340 1.00 0.20 H new ATOM 0 HG13 ILE A 58 -0.979 -3.604 3.011 1.00 0.20 H new ATOM 0 HG21 ILE A 58 -3.652 -1.276 4.123 1.00 0.29 H new ATOM 0 HG22 ILE A 58 -4.432 -2.424 5.237 1.00 0.29 H new ATOM 0 HG23 ILE A 58 -2.856 -1.712 5.654 1.00 0.29 H new ATOM 0 HD11 ILE A 58 -0.618 -1.334 2.190 1.00 0.25 H new ATOM 0 HD12 ILE A 58 -2.247 -1.904 1.757 1.00 0.25 H new ATOM 0 HD13 ILE A 58 -2.033 -0.763 3.105 1.00 0.25 H new ATOM 839 N GLY A 59 -4.290 -4.652 6.762 1.00 0.35 N ATOM 840 CA GLY A 59 -5.537 -5.179 7.277 1.00 0.43 C ATOM 841 C GLY A 59 -6.741 -4.441 6.734 1.00 0.50 C ATOM 842 O GLY A 59 -6.652 -3.755 5.718 1.00 1.02 O ATOM 0 H GLY A 59 -3.805 -4.014 7.393 1.00 0.35 H new ATOM 0 HA2 GLY A 59 -5.616 -6.236 7.021 1.00 0.43 H new ATOM 0 HA3 GLY A 59 -5.534 -5.114 8.365 1.00 0.43 H new ATOM 846 N GLY A 60 -7.864 -4.545 7.430 1.00 0.35 N ATOM 847 CA GLY A 60 -9.102 -3.999 6.926 1.00 0.36 C ATOM 848 C GLY A 60 -9.579 -2.839 7.756 1.00 0.33 C ATOM 849 O GLY A 60 -9.362 -2.812 8.970 1.00 0.40 O ATOM 0 H GLY A 60 -7.937 -5.001 8.340 1.00 0.35 H new ATOM 0 HA2 GLY A 60 -8.963 -3.675 5.894 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -9.865 -4.777 6.916 1.00 0.36 H new ATOM 853 N ASP A 61 -10.221 -1.878 7.099 1.00 0.28 N ATOM 854 CA ASP A 61 -10.649 -0.638 7.741 1.00 0.31 C ATOM 855 C ASP A 61 -9.442 0.067 8.372 1.00 0.29 C ATOM 856 O ASP A 61 -9.567 0.833 9.329 1.00 0.43 O ATOM 857 CB ASP A 61 -11.746 -0.919 8.775 1.00 0.41 C ATOM 858 CG ASP A 61 -12.416 0.342 9.290 1.00 0.87 C ATOM 859 OD1 ASP A 61 -12.539 0.492 10.524 1.00 0.96 O ATOM 860 OD2 ASP A 61 -12.820 1.187 8.464 1.00 1.26 O ATOM 0 H ASP A 61 -10.459 -1.936 6.109 1.00 0.28 H new ATOM 0 HA ASP A 61 -11.073 0.028 6.990 1.00 0.31 H new ATOM 0 HB2 ASP A 61 -12.500 -1.568 8.329 1.00 0.41 H new ATOM 0 HB3 ASP A 61 -11.314 -1.463 9.615 1.00 0.41 H new ATOM 865 N SER A 62 -8.268 -0.196 7.811 1.00 0.22 N ATOM 866 CA SER A 62 -7.031 0.379 8.311 1.00 0.26 C ATOM 867 C SER A 62 -6.563 1.510 7.403 1.00 0.22 C ATOM 868 O SER A 62 -6.923 1.572 6.226 1.00 0.23 O ATOM 869 CB SER A 62 -5.943 -0.685 8.409 1.00 0.32 C ATOM 870 OG SER A 62 -4.817 -0.207 9.128 1.00 1.19 O ATOM 0 H SER A 62 -8.149 -0.809 7.004 1.00 0.22 H new ATOM 0 HA SER A 62 -7.223 0.779 9.307 1.00 0.26 H new ATOM 0 HB2 SER A 62 -6.342 -1.572 8.902 1.00 0.32 H new ATOM 0 HB3 SER A 62 -5.636 -0.988 7.408 1.00 0.32 H new ATOM 0 HG SER A 62 -4.137 -0.911 9.176 1.00 1.19 H new ATOM 876 N ILE A 63 -5.761 2.397 7.966 1.00 0.20 N ATOM 877 CA ILE A 63 -5.249 3.555 7.254 1.00 0.19 C ATOM 878 C ILE A 63 -3.815 3.813 7.687 1.00 0.24 C ATOM 879 O ILE A 63 -3.566 4.298 8.792 1.00 0.38 O ATOM 880 CB ILE A 63 -6.115 4.815 7.501 1.00 0.19 C ATOM 881 CG1 ILE A 63 -7.534 4.593 6.973 1.00 0.19 C ATOM 882 CG2 ILE A 63 -5.490 6.033 6.836 1.00 0.24 C ATOM 883 CD1 ILE A 63 -8.486 5.729 7.264 1.00 0.25 C ATOM 0 H ILE A 63 -5.445 2.334 8.934 1.00 0.20 H new ATOM 0 HA ILE A 63 -5.285 3.342 6.186 1.00 0.19 H new ATOM 0 HB ILE A 63 -6.163 4.996 8.575 1.00 0.19 H new ATOM 0 HG12 ILE A 63 -7.489 4.438 5.895 1.00 0.19 H new ATOM 0 HG13 ILE A 63 -7.933 3.678 7.410 1.00 0.19 H new ATOM 0 HG21 ILE A 63 -6.113 6.908 7.021 1.00 0.24 H new ATOM 0 HG22 ILE A 63 -4.495 6.202 7.248 1.00 0.24 H new ATOM 0 HG23 ILE A 63 -5.414 5.862 5.762 1.00 0.24 H new ATOM 0 HD11 ILE A 63 -9.469 5.493 6.857 1.00 0.25 H new ATOM 0 HD12 ILE A 63 -8.564 5.871 8.342 1.00 0.25 H new ATOM 0 HD13 ILE A 63 -8.113 6.644 6.804 1.00 0.25 H new ATOM 895 N VAL A 64 -2.874 3.462 6.831 1.00 0.15 N ATOM 896 CA VAL A 64 -1.466 3.568 7.170 1.00 0.18 C ATOM 897 C VAL A 64 -0.674 4.250 6.072 1.00 0.15 C ATOM 898 O VAL A 64 -1.012 4.154 4.895 1.00 0.13 O ATOM 899 CB VAL A 64 -0.846 2.192 7.461 1.00 0.23 C ATOM 900 CG1 VAL A 64 -1.120 1.784 8.894 1.00 0.98 C ATOM 901 CG2 VAL A 64 -1.366 1.139 6.491 1.00 1.00 C ATOM 0 H VAL A 64 -3.058 3.101 5.895 1.00 0.15 H new ATOM 0 HA VAL A 64 -1.415 4.177 8.073 1.00 0.18 H new ATOM 0 HB VAL A 64 0.232 2.268 7.321 1.00 0.23 H new ATOM 0 HG11 VAL A 64 -0.675 0.808 9.086 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -0.686 2.520 9.571 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -2.196 1.731 9.058 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -0.910 0.176 6.721 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -2.449 1.060 6.586 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -1.111 1.427 5.471 1.00 1.00 H new ATOM 911 N GLU A 65 0.386 4.929 6.470 1.00 0.18 N ATOM 912 CA GLU A 65 1.203 5.684 5.534 1.00 0.16 C ATOM 913 C GLU A 65 2.488 4.933 5.218 1.00 0.13 C ATOM 914 O GLU A 65 3.215 4.510 6.120 1.00 0.15 O ATOM 915 CB GLU A 65 1.506 7.070 6.104 1.00 0.22 C ATOM 916 CG GLU A 65 2.350 7.944 5.189 1.00 0.33 C ATOM 917 CD GLU A 65 2.567 9.330 5.756 1.00 0.38 C ATOM 918 OE1 GLU A 65 3.455 9.499 6.615 1.00 0.67 O ATOM 919 OE2 GLU A 65 1.846 10.261 5.349 1.00 0.45 O ATOM 0 H GLU A 65 0.703 4.974 7.438 1.00 0.18 H new ATOM 0 HA GLU A 65 0.650 5.806 4.603 1.00 0.16 H new ATOM 0 HB2 GLU A 65 0.565 7.580 6.311 1.00 0.22 H new ATOM 0 HB3 GLU A 65 2.022 6.955 7.057 1.00 0.22 H new ATOM 0 HG2 GLU A 65 3.316 7.466 5.024 1.00 0.33 H new ATOM 0 HG3 GLU A 65 1.864 8.024 4.217 1.00 0.33 H new ATOM 926 N MET A 66 2.751 4.768 3.929 1.00 0.12 N ATOM 927 CA MET A 66 3.909 4.023 3.451 1.00 0.14 C ATOM 928 C MET A 66 5.202 4.761 3.790 1.00 0.13 C ATOM 929 O MET A 66 5.689 5.575 3.004 1.00 0.17 O ATOM 930 CB MET A 66 3.811 3.802 1.934 1.00 0.19 C ATOM 931 CG MET A 66 2.472 3.231 1.479 1.00 0.30 C ATOM 932 SD MET A 66 1.850 1.929 2.560 1.00 0.88 S ATOM 933 CE MET A 66 2.886 0.557 2.081 1.00 0.31 C ATOM 0 H MET A 66 2.167 5.147 3.184 1.00 0.12 H new ATOM 0 HA MET A 66 3.922 3.054 3.950 1.00 0.14 H new ATOM 0 HB2 MET A 66 3.982 4.751 1.426 1.00 0.19 H new ATOM 0 HB3 MET A 66 4.608 3.127 1.623 1.00 0.19 H new ATOM 0 HG2 MET A 66 1.739 4.036 1.431 1.00 0.30 H new ATOM 0 HG3 MET A 66 2.577 2.836 0.469 1.00 0.30 H new ATOM 0 HE1 MET A 66 2.798 -0.240 2.819 1.00 0.31 H new ATOM 0 HE2 MET A 66 2.570 0.186 1.106 1.00 0.31 H new ATOM 0 HE3 MET A 66 3.923 0.887 2.025 1.00 0.31 H new ATOM 943 N THR A 67 5.747 4.470 4.963 1.00 0.13 N ATOM 944 CA THR A 67 6.943 5.131 5.449 1.00 0.14 C ATOM 945 C THR A 67 8.056 4.123 5.722 1.00 0.15 C ATOM 946 O THR A 67 7.954 2.963 5.322 1.00 0.16 O ATOM 947 CB THR A 67 6.632 5.925 6.730 1.00 0.19 C ATOM 948 OG1 THR A 67 5.784 5.145 7.587 1.00 0.29 O ATOM 949 CG2 THR A 67 5.959 7.246 6.400 1.00 0.29 C ATOM 0 H THR A 67 5.371 3.769 5.602 1.00 0.13 H new ATOM 0 HA THR A 67 7.284 5.818 4.675 1.00 0.14 H new ATOM 0 HB THR A 67 7.571 6.139 7.241 1.00 0.19 H new ATOM 0 HG1 THR A 67 4.897 5.058 7.179 1.00 0.29 H new ATOM 0 HG21 THR A 67 5.750 7.788 7.322 1.00 0.29 H new ATOM 0 HG22 THR A 67 6.618 7.843 5.770 1.00 0.29 H new ATOM 0 HG23 THR A 67 5.025 7.056 5.871 1.00 0.29 H new ATOM 957 N ASP A 68 9.106 4.558 6.406 1.00 0.18 N ATOM 958 CA ASP A 68 10.251 3.691 6.692 1.00 0.23 C ATOM 959 C ASP A 68 9.848 2.547 7.619 1.00 0.25 C ATOM 960 O ASP A 68 10.414 1.457 7.555 1.00 0.34 O ATOM 961 CB ASP A 68 11.404 4.486 7.316 1.00 0.32 C ATOM 962 CG ASP A 68 11.172 4.823 8.776 1.00 1.10 C ATOM 963 OD1 ASP A 68 10.372 5.739 9.063 1.00 2.13 O ATOM 964 OD2 ASP A 68 11.795 4.172 9.645 1.00 0.96 O ATOM 0 H ASP A 68 9.192 5.505 6.775 1.00 0.18 H new ATOM 0 HA ASP A 68 10.591 3.273 5.744 1.00 0.23 H new ATOM 0 HB2 ASP A 68 12.326 3.911 7.224 1.00 0.32 H new ATOM 0 HB3 ASP A 68 11.547 5.409 6.754 1.00 0.32 H new ATOM 969 N GLU A 69 8.856 2.798 8.467 1.00 0.29 N ATOM 970 CA GLU A 69 8.341 1.781 9.376 1.00 0.39 C ATOM 971 C GLU A 69 7.576 0.718 8.602 1.00 0.35 C ATOM 972 O GLU A 69 7.313 -0.379 9.099 1.00 0.49 O ATOM 973 CB GLU A 69 7.429 2.428 10.415 1.00 0.49 C ATOM 974 CG GLU A 69 8.147 3.402 11.331 1.00 0.96 C ATOM 975 CD GLU A 69 7.192 4.147 12.236 1.00 1.71 C ATOM 976 OE1 GLU A 69 6.896 5.326 11.955 1.00 2.51 O ATOM 977 OE2 GLU A 69 6.734 3.557 13.235 1.00 1.93 O ATOM 0 H GLU A 69 8.391 3.702 8.543 1.00 0.29 H new ATOM 0 HA GLU A 69 9.181 1.306 9.883 1.00 0.39 H new ATOM 0 HB2 GLU A 69 6.622 2.952 9.902 1.00 0.49 H new ATOM 0 HB3 GLU A 69 6.968 1.646 11.019 1.00 0.49 H new ATOM 0 HG2 GLU A 69 8.872 2.860 11.938 1.00 0.96 H new ATOM 0 HG3 GLU A 69 8.707 4.118 10.729 1.00 0.96 H new ATOM 984 N ILE A 70 7.213 1.065 7.387 1.00 0.21 N ATOM 985 CA ILE A 70 6.526 0.170 6.483 1.00 0.18 C ATOM 986 C ILE A 70 7.517 -0.505 5.542 1.00 0.18 C ATOM 987 O ILE A 70 7.528 -1.728 5.396 1.00 0.24 O ATOM 988 CB ILE A 70 5.482 0.961 5.675 1.00 0.16 C ATOM 989 CG1 ILE A 70 4.194 1.128 6.478 1.00 0.18 C ATOM 990 CG2 ILE A 70 5.206 0.301 4.348 1.00 0.25 C ATOM 991 CD1 ILE A 70 3.162 0.041 6.235 1.00 0.23 C ATOM 0 H ILE A 70 7.389 1.990 6.994 1.00 0.21 H new ATOM 0 HA ILE A 70 6.024 -0.604 7.063 1.00 0.18 H new ATOM 0 HB ILE A 70 5.891 1.951 5.474 1.00 0.16 H new ATOM 0 HG12 ILE A 70 4.441 1.148 7.539 1.00 0.18 H new ATOM 0 HG13 ILE A 70 3.751 2.094 6.236 1.00 0.18 H new ATOM 0 HG21 ILE A 70 4.465 0.882 3.800 1.00 0.25 H new ATOM 0 HG22 ILE A 70 6.128 0.249 3.769 1.00 0.25 H new ATOM 0 HG23 ILE A 70 4.826 -0.707 4.515 1.00 0.25 H new ATOM 0 HD11 ILE A 70 2.279 0.235 6.844 1.00 0.23 H new ATOM 0 HD12 ILE A 70 2.882 0.034 5.182 1.00 0.23 H new ATOM 0 HD13 ILE A 70 3.583 -0.927 6.505 1.00 0.23 H new ATOM 1003 N TYR A 71 8.350 0.306 4.924 1.00 0.16 N ATOM 1004 CA TYR A 71 9.318 -0.171 3.964 1.00 0.17 C ATOM 1005 C TYR A 71 10.674 -0.318 4.635 1.00 0.27 C ATOM 1006 O TYR A 71 11.490 0.607 4.646 1.00 0.31 O ATOM 1007 CB TYR A 71 9.397 0.781 2.763 1.00 0.15 C ATOM 1008 CG TYR A 71 10.215 0.252 1.607 1.00 0.13 C ATOM 1009 CD1 TYR A 71 10.807 -1.003 1.646 1.00 0.15 C ATOM 1010 CD2 TYR A 71 10.385 1.017 0.468 1.00 0.13 C ATOM 1011 CE1 TYR A 71 11.546 -1.474 0.585 1.00 0.17 C ATOM 1012 CE2 TYR A 71 11.124 0.550 -0.598 1.00 0.14 C ATOM 1013 CZ TYR A 71 11.701 -0.692 -0.535 1.00 0.15 C ATOM 1014 OH TYR A 71 12.434 -1.156 -1.594 1.00 0.21 O ATOM 0 H TYR A 71 8.374 1.315 5.074 1.00 0.16 H new ATOM 0 HA TYR A 71 9.005 -1.148 3.594 1.00 0.17 H new ATOM 0 HB2 TYR A 71 8.386 0.991 2.413 1.00 0.15 H new ATOM 0 HB3 TYR A 71 9.824 1.729 3.092 1.00 0.15 H new ATOM 0 HD1 TYR A 71 10.686 -1.620 2.524 1.00 0.15 H new ATOM 0 HD2 TYR A 71 9.932 1.996 0.412 1.00 0.13 H new ATOM 0 HE1 TYR A 71 12.001 -2.452 0.632 1.00 0.17 H new ATOM 0 HE2 TYR A 71 11.248 1.161 -1.480 1.00 0.14 H new ATOM 0 HH TYR A 71 12.973 -0.426 -1.964 1.00 0.21 H new ATOM 1024 N ASN A 72 10.877 -1.484 5.221 1.00 0.40 N ATOM 1025 CA ASN A 72 12.141 -1.832 5.857 1.00 0.53 C ATOM 1026 C ASN A 72 13.238 -2.018 4.810 1.00 0.46 C ATOM 1027 O ASN A 72 13.456 -3.121 4.305 1.00 0.61 O ATOM 1028 CB ASN A 72 11.981 -3.117 6.677 1.00 0.79 C ATOM 1029 CG ASN A 72 13.170 -3.392 7.581 1.00 0.96 C ATOM 1030 OD1 ASN A 72 14.145 -4.031 7.180 1.00 1.34 O ATOM 1031 ND2 ASN A 72 13.091 -2.922 8.814 1.00 1.46 N ATOM 0 H ASN A 72 10.172 -2.219 5.271 1.00 0.40 H new ATOM 0 HA ASN A 72 12.428 -1.016 6.521 1.00 0.53 H new ATOM 0 HB2 ASN A 72 11.078 -3.045 7.284 1.00 0.79 H new ATOM 0 HB3 ASN A 72 11.843 -3.960 6.000 1.00 0.79 H new ATOM 0 HD21 ASN A 72 13.854 -3.084 9.471 1.00 1.46 H new ATOM 0 HD22 ASN A 72 12.267 -2.398 9.108 1.00 1.46 H new ATOM 1038 N THR A 73 13.907 -0.929 4.469 1.00 0.40 N ATOM 1039 CA THR A 73 15.019 -0.973 3.539 1.00 0.42 C ATOM 1040 C THR A 73 16.303 -1.350 4.270 1.00 0.58 C ATOM 1041 O THR A 73 16.738 -0.632 5.174 1.00 0.69 O ATOM 1042 CB THR A 73 15.212 0.388 2.843 1.00 0.51 C ATOM 1043 OG1 THR A 73 15.164 1.446 3.812 1.00 0.66 O ATOM 1044 CG2 THR A 73 14.145 0.618 1.789 1.00 0.43 C ATOM 0 H THR A 73 13.696 0.003 4.827 1.00 0.40 H new ATOM 0 HA THR A 73 14.793 -1.726 2.784 1.00 0.42 H new ATOM 0 HB THR A 73 16.186 0.382 2.354 1.00 0.51 H new ATOM 0 HG1 THR A 73 15.638 1.168 4.623 1.00 0.66 H new ATOM 0 HG21 THR A 73 14.306 1.586 1.314 1.00 0.43 H new ATOM 0 HG22 THR A 73 14.201 -0.169 1.037 1.00 0.43 H new ATOM 0 HG23 THR A 73 13.161 0.603 2.258 1.00 0.43 H new ATOM 1052 N GLY A 74 16.898 -2.472 3.900 1.00 0.69 N ATOM 1053 CA GLY A 74 18.108 -2.904 4.566 1.00 0.90 C ATOM 1054 C GLY A 74 18.855 -3.965 3.794 1.00 1.46 C ATOM 1055 O GLY A 74 19.403 -4.892 4.392 1.00 1.91 O ATOM 0 H GLY A 74 16.568 -3.088 3.156 1.00 0.69 H new ATOM 0 HA2 GLY A 74 18.761 -2.044 4.717 1.00 0.90 H new ATOM 0 HA3 GLY A 74 17.855 -3.290 5.554 1.00 0.90 H new ATOM 1059 N ASP A 75 18.846 -3.841 2.463 1.00 2.07 N ATOM 1060 CA ASP A 75 19.565 -4.754 1.557 1.00 3.16 C ATOM 1061 C ASP A 75 18.872 -6.112 1.455 1.00 3.74 C ATOM 1062 O ASP A 75 18.912 -6.756 0.406 1.00 4.38 O ATOM 1063 CB ASP A 75 21.026 -4.938 1.985 1.00 3.92 C ATOM 1064 CG ASP A 75 21.802 -5.837 1.042 1.00 4.89 C ATOM 1065 OD1 ASP A 75 22.208 -5.360 -0.039 1.00 5.30 O ATOM 1066 OD2 ASP A 75 22.016 -7.020 1.378 1.00 5.57 O ATOM 0 H ASP A 75 18.338 -3.102 1.977 1.00 2.07 H new ATOM 0 HA ASP A 75 19.552 -4.290 0.571 1.00 3.16 H new ATOM 0 HB2 ASP A 75 21.512 -3.963 2.034 1.00 3.92 H new ATOM 0 HB3 ASP A 75 21.056 -5.360 2.990 1.00 3.92 H new ATOM 1071 N ASN A 76 18.252 -6.528 2.556 1.00 4.05 N ATOM 1072 CA ASN A 76 17.502 -7.778 2.629 1.00 5.07 C ATOM 1073 C ASN A 76 18.449 -8.970 2.572 1.00 5.95 C ATOM 1074 O ASN A 76 18.607 -9.571 1.490 1.00 6.53 O ATOM 1075 CB ASN A 76 16.458 -7.857 1.509 1.00 5.51 C ATOM 1076 CG ASN A 76 15.410 -8.918 1.766 1.00 6.35 C ATOM 1077 OD1 ASN A 76 14.349 -8.534 2.455 1.00 6.87 O flip ATOM 1078 ND2 ASN A 76 15.549 -10.068 1.350 1.00 6.80 N flip ATOM 0 H ASN A 76 18.256 -6.002 3.430 1.00 4.05 H new ATOM 0 HA ASN A 76 16.973 -7.804 3.582 1.00 5.07 H new ATOM 0 HB2 ASN A 76 15.970 -6.888 1.402 1.00 5.51 H new ATOM 0 HB3 ASN A 76 16.959 -8.067 0.564 1.00 5.51 H new ATOM 0 HD21 ASN A 76 16.384 -10.322 0.822 1.00 6.80 H new ATOM 0 HD22 ASN A 76 14.829 -10.767 1.533 1.00 6.80 H new TER 1085 ASN A 76