USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 344 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 7 SER OG : rot 130:sc= 0.615 USER MOD Set 1.2: A 9 ASN : amide:sc= 0.687 K(o=1.3,f=-0.007) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.00057) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 71:sc= 0.354 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 164:sc= 1.11 (180deg=0.946) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.013 USER MOD Single : A 33 SER OG : rot 102:sc= 1.32 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 79:sc= -0.151 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -4.299 -5.290 0.495 1.00 10.00 N ATOM 14 CA ILE A 2 -3.688 -5.507 -0.817 1.00 10.00 C ATOM 15 C ILE A 2 -3.938 -6.937 -1.317 1.00 10.00 C ATOM 16 O ILE A 2 -4.081 -7.880 -0.532 1.00 10.00 O ATOM 17 CB ILE A 2 -2.174 -5.183 -0.809 1.00 10.00 C ATOM 18 CG1 ILE A 2 -1.419 -5.901 0.337 1.00 10.00 C ATOM 19 CG2 ILE A 2 -1.972 -3.661 -0.764 1.00 10.00 C ATOM 20 CD1 ILE A 2 0.105 -5.889 0.177 1.00 10.00 C ATOM 0 HA ILE A 2 -4.167 -4.816 -1.511 1.00 10.00 H new ATOM 0 HB ILE A 2 -1.740 -5.567 -1.732 1.00 10.00 H new ATOM 0 HG12 ILE A 2 -1.679 -5.427 1.284 1.00 10.00 H new ATOM 0 HG13 ILE A 2 -1.761 -6.934 0.393 1.00 10.00 H new ATOM 0 HG21 ILE A 2 -0.906 -3.436 -0.758 1.00 10.00 H new ATOM 0 HG22 ILE A 2 -2.434 -3.207 -1.640 1.00 10.00 H new ATOM 0 HG23 ILE A 2 -2.432 -3.259 0.139 1.00 10.00 H new ATOM 0 HD11 ILE A 2 0.563 -6.410 1.017 1.00 10.00 H new ATOM 0 HD12 ILE A 2 0.377 -6.389 -0.752 1.00 10.00 H new ATOM 0 HD13 ILE A 2 0.460 -4.859 0.152 1.00 10.00 H new ATOM 32 N LYS A 3 -3.922 -7.087 -2.638 1.00 10.00 N ATOM 33 CA LYS A 3 -3.847 -8.344 -3.367 1.00 10.00 C ATOM 34 C LYS A 3 -2.496 -8.359 -4.082 1.00 10.00 C ATOM 35 O LYS A 3 -1.880 -7.309 -4.300 1.00 10.00 O ATOM 36 CB LYS A 3 -4.998 -8.434 -4.394 1.00 10.00 C ATOM 37 CG LYS A 3 -6.321 -9.006 -3.855 1.00 10.00 C ATOM 38 CD LYS A 3 -6.990 -8.165 -2.754 1.00 10.00 C ATOM 39 CE LYS A 3 -8.413 -8.653 -2.433 1.00 10.00 C ATOM 40 NZ LYS A 3 -8.448 -10.021 -1.853 1.00 10.00 N ATOM 0 H LYS A 3 -3.964 -6.283 -3.264 1.00 10.00 H new ATOM 0 HA LYS A 3 -3.940 -9.195 -2.692 1.00 10.00 H new ATOM 0 HB2 LYS A 3 -5.188 -7.436 -4.790 1.00 10.00 H new ATOM 0 HB3 LYS A 3 -4.669 -9.051 -5.230 1.00 10.00 H new ATOM 0 HG2 LYS A 3 -7.019 -9.112 -4.685 1.00 10.00 H new ATOM 0 HG3 LYS A 3 -6.135 -10.007 -3.465 1.00 10.00 H new ATOM 0 HD2 LYS A 3 -6.382 -8.204 -1.850 1.00 10.00 H new ATOM 0 HD3 LYS A 3 -7.028 -7.122 -3.068 1.00 10.00 H new ATOM 0 HE2 LYS A 3 -8.879 -7.958 -1.735 1.00 10.00 H new ATOM 0 HE3 LYS A 3 -9.010 -8.637 -3.345 1.00 10.00 H new ATOM 0 HZ1 LYS A 3 -9.434 -10.291 -1.659 1.00 10.00 H new ATOM 0 HZ2 LYS A 3 -8.031 -10.694 -2.527 1.00 10.00 H new ATOM 0 HZ3 LYS A 3 -7.904 -10.036 -0.966 1.00 10.00 H new ATOM 54 N LEU A 4 -2.063 -9.549 -4.492 1.00 10.00 N ATOM 55 CA LEU A 4 -0.924 -9.750 -5.379 1.00 10.00 C ATOM 56 C LEU A 4 -1.503 -10.350 -6.654 1.00 10.00 C ATOM 57 O LEU A 4 -2.385 -11.209 -6.578 1.00 10.00 O ATOM 58 CB LEU A 4 0.113 -10.697 -4.744 1.00 10.00 C ATOM 59 CG LEU A 4 0.707 -10.207 -3.408 1.00 10.00 C ATOM 60 CD1 LEU A 4 1.716 -11.232 -2.879 1.00 10.00 C ATOM 61 CD2 LEU A 4 1.395 -8.845 -3.542 1.00 10.00 C ATOM 0 H LEU A 4 -2.508 -10.422 -4.208 1.00 10.00 H new ATOM 0 HA LEU A 4 -0.399 -8.815 -5.576 1.00 10.00 H new ATOM 0 HB2 LEU A 4 -0.354 -11.668 -4.583 1.00 10.00 H new ATOM 0 HB3 LEU A 4 0.927 -10.849 -5.453 1.00 10.00 H new ATOM 0 HG LEU A 4 -0.122 -10.095 -2.709 1.00 10.00 H new ATOM 0 HD11 LEU A 4 2.132 -10.880 -1.935 1.00 10.00 H new ATOM 0 HD12 LEU A 4 1.215 -12.187 -2.721 1.00 10.00 H new ATOM 0 HD13 LEU A 4 2.520 -11.359 -3.604 1.00 10.00 H new ATOM 0 HD21 LEU A 4 1.797 -8.544 -2.575 1.00 10.00 H new ATOM 0 HD22 LEU A 4 2.207 -8.917 -4.266 1.00 10.00 H new ATOM 0 HD23 LEU A 4 0.671 -8.104 -3.881 1.00 10.00 H new ATOM 73 N VAL A 5 -1.047 -9.885 -7.816 1.00 10.00 N ATOM 74 CA VAL A 5 -1.719 -10.145 -9.088 1.00 10.00 C ATOM 75 C VAL A 5 -0.655 -10.445 -10.145 1.00 10.00 C ATOM 76 O VAL A 5 0.443 -9.885 -10.088 1.00 10.00 O ATOM 77 CB VAL A 5 -2.601 -8.929 -9.482 1.00 10.00 C ATOM 78 CG1 VAL A 5 -3.583 -9.301 -10.605 1.00 10.00 C ATOM 79 CG2 VAL A 5 -3.433 -8.351 -8.321 1.00 10.00 C ATOM 0 H VAL A 5 -0.203 -9.319 -7.902 1.00 10.00 H new ATOM 0 HA VAL A 5 -2.381 -11.007 -9.004 1.00 10.00 H new ATOM 0 HB VAL A 5 -1.888 -8.170 -9.805 1.00 10.00 H new ATOM 0 HG11 VAL A 5 -4.188 -8.432 -10.862 1.00 10.00 H new ATOM 0 HG12 VAL A 5 -3.025 -9.627 -11.483 1.00 10.00 H new ATOM 0 HG13 VAL A 5 -4.233 -10.109 -10.268 1.00 10.00 H new ATOM 0 HG21 VAL A 5 -4.020 -7.506 -8.680 1.00 10.00 H new ATOM 0 HG22 VAL A 5 -4.102 -9.120 -7.935 1.00 10.00 H new ATOM 0 HG23 VAL A 5 -2.766 -8.018 -7.526 1.00 10.00 H new ATOM 89 N GLN A 6 -0.986 -11.307 -11.111 1.00 10.00 N ATOM 90 CA GLN A 6 -0.166 -11.633 -12.272 1.00 10.00 C ATOM 91 C GLN A 6 -1.115 -11.781 -13.460 1.00 10.00 C ATOM 92 O GLN A 6 -2.078 -12.548 -13.360 1.00 10.00 O ATOM 93 CB GLN A 6 0.597 -12.955 -12.057 1.00 10.00 C ATOM 94 CG GLN A 6 1.495 -12.971 -10.811 1.00 10.00 C ATOM 95 CD GLN A 6 2.375 -14.223 -10.750 1.00 10.00 C ATOM 96 OE1 GLN A 6 1.900 -15.349 -10.875 1.00 10.00 O ATOM 97 NE2 GLN A 6 3.674 -14.061 -10.548 1.00 10.00 N ATOM 0 H GLN A 6 -1.870 -11.816 -11.101 1.00 10.00 H new ATOM 0 HA GLN A 6 0.572 -10.849 -12.441 1.00 10.00 H new ATOM 0 HB2 GLN A 6 -0.124 -13.769 -11.981 1.00 10.00 H new ATOM 0 HB3 GLN A 6 1.211 -13.154 -12.936 1.00 10.00 H new ATOM 0 HG2 GLN A 6 2.128 -12.083 -10.810 1.00 10.00 H new ATOM 0 HG3 GLN A 6 0.874 -12.921 -9.917 1.00 10.00 H new ATOM 0 HE21 GLN A 6 4.061 -13.123 -10.445 1.00 10.00 H new ATOM 0 HE22 GLN A 6 4.287 -14.874 -10.495 1.00 10.00 H new ATOM 106 N SER A 7 -0.885 -11.067 -14.564 1.00 10.00 N ATOM 107 CA SER A 7 -1.671 -11.198 -15.791 1.00 10.00 C ATOM 108 C SER A 7 -0.933 -10.484 -16.925 1.00 10.00 C ATOM 109 O SER A 7 -0.320 -9.442 -16.681 1.00 10.00 O ATOM 110 CB SER A 7 -3.047 -10.545 -15.587 1.00 10.00 C ATOM 111 OG SER A 7 -3.920 -10.785 -16.679 1.00 10.00 O ATOM 0 H SER A 7 -0.139 -10.374 -14.631 1.00 10.00 H new ATOM 0 HA SER A 7 -1.804 -12.251 -16.038 1.00 10.00 H new ATOM 0 HB2 SER A 7 -3.498 -10.929 -14.672 1.00 10.00 H new ATOM 0 HB3 SER A 7 -2.921 -9.471 -15.453 1.00 10.00 H new ATOM 0 HG SER A 7 -4.779 -11.118 -16.344 1.00 10.00 H new ATOM 117 N PRO A 8 -1.009 -10.959 -18.181 1.00 10.00 N ATOM 118 CA PRO A 8 -0.465 -10.225 -19.319 1.00 10.00 C ATOM 119 C PRO A 8 -1.237 -8.925 -19.600 1.00 10.00 C ATOM 120 O PRO A 8 -0.719 -8.060 -20.308 1.00 10.00 O ATOM 121 CB PRO A 8 -0.527 -11.202 -20.499 1.00 10.00 C ATOM 122 CG PRO A 8 -1.692 -12.123 -20.140 1.00 10.00 C ATOM 123 CD PRO A 8 -1.606 -12.214 -18.619 1.00 10.00 C ATOM 0 HA PRO A 8 0.556 -9.896 -19.126 1.00 10.00 H new ATOM 0 HB2 PRO A 8 -0.702 -10.683 -21.441 1.00 10.00 H new ATOM 0 HB3 PRO A 8 0.404 -11.757 -20.609 1.00 10.00 H new ATOM 0 HG2 PRO A 8 -2.647 -11.711 -20.466 1.00 10.00 H new ATOM 0 HG3 PRO A 8 -1.591 -13.102 -20.609 1.00 10.00 H new ATOM 0 HD2 PRO A 8 -2.594 -12.352 -18.179 1.00 10.00 H new ATOM 0 HD3 PRO A 8 -0.998 -13.065 -18.312 1.00 10.00 H new ATOM 131 N ASN A 9 -2.454 -8.768 -19.054 1.00 10.00 N ATOM 132 CA ASN A 9 -3.292 -7.590 -19.291 1.00 10.00 C ATOM 133 C ASN A 9 -2.642 -6.317 -18.744 1.00 10.00 C ATOM 134 O ASN A 9 -2.707 -5.274 -19.394 1.00 10.00 O ATOM 135 CB ASN A 9 -4.679 -7.767 -18.647 1.00 10.00 C ATOM 136 CG ASN A 9 -5.543 -8.767 -19.404 1.00 10.00 C ATOM 137 OD1 ASN A 9 -6.102 -8.456 -20.451 1.00 10.00 O ATOM 138 ND2 ASN A 9 -5.665 -9.984 -18.900 1.00 10.00 N ATOM 0 H ASN A 9 -2.881 -9.457 -18.436 1.00 10.00 H new ATOM 0 HA ASN A 9 -3.402 -7.489 -20.371 1.00 10.00 H new ATOM 0 HB2 ASN A 9 -4.559 -8.101 -17.616 1.00 10.00 H new ATOM 0 HB3 ASN A 9 -5.187 -6.803 -18.613 1.00 10.00 H new ATOM 0 HD21 ASN A 9 -6.231 -10.682 -19.383 1.00 10.00 H new ATOM 0 HD22 ASN A 9 -5.193 -10.225 -18.028 1.00 10.00 H new ATOM 145 N GLY A 10 -2.032 -6.397 -17.550 1.00 10.00 N ATOM 146 CA GLY A 10 -1.412 -5.269 -16.852 1.00 10.00 C ATOM 147 C GLY A 10 -2.307 -4.034 -16.714 1.00 10.00 C ATOM 148 O GLY A 10 -1.782 -2.917 -16.702 1.00 10.00 O ATOM 0 H GLY A 10 -1.957 -7.273 -17.034 1.00 10.00 H new ATOM 0 HA2 GLY A 10 -1.111 -5.596 -15.857 1.00 10.00 H new ATOM 0 HA3 GLY A 10 -0.503 -4.985 -17.383 1.00 10.00 H new ATOM 152 N ASN A 11 -3.633 -4.207 -16.676 1.00 10.00 N ATOM 153 CA ASN A 11 -4.602 -3.116 -16.786 1.00 10.00 C ATOM 154 C ASN A 11 -4.489 -2.171 -15.587 1.00 10.00 C ATOM 155 O ASN A 11 -4.946 -2.507 -14.493 1.00 10.00 O ATOM 156 CB ASN A 11 -6.030 -3.675 -16.913 1.00 10.00 C ATOM 157 CG ASN A 11 -7.057 -2.551 -17.026 1.00 10.00 C ATOM 158 OD1 ASN A 11 -7.434 -2.150 -18.122 1.00 10.00 O ATOM 159 ND2 ASN A 11 -7.527 -2.016 -15.909 1.00 10.00 N ATOM 0 H ASN A 11 -4.067 -5.123 -16.566 1.00 10.00 H new ATOM 0 HA ASN A 11 -4.379 -2.545 -17.687 1.00 10.00 H new ATOM 0 HB2 ASN A 11 -6.094 -4.319 -17.790 1.00 10.00 H new ATOM 0 HB3 ASN A 11 -6.259 -4.294 -16.046 1.00 10.00 H new ATOM 0 HD21 ASN A 11 -8.211 -1.261 -15.954 1.00 10.00 H new ATOM 0 HD22 ASN A 11 -7.205 -2.359 -15.004 1.00 10.00 H new ATOM 166 N PHE A 12 -3.903 -0.990 -15.797 1.00 10.00 N ATOM 167 CA PHE A 12 -3.788 0.037 -14.771 1.00 10.00 C ATOM 168 C PHE A 12 -5.187 0.558 -14.416 1.00 10.00 C ATOM 169 O PHE A 12 -5.819 1.245 -15.222 1.00 10.00 O ATOM 170 CB PHE A 12 -2.855 1.155 -15.258 1.00 10.00 C ATOM 171 CG PHE A 12 -2.689 2.294 -14.269 1.00 10.00 C ATOM 172 CD1 PHE A 12 -1.879 2.131 -13.127 1.00 10.00 C ATOM 173 CD2 PHE A 12 -3.344 3.524 -14.489 1.00 10.00 C ATOM 174 CE1 PHE A 12 -1.729 3.187 -12.212 1.00 10.00 C ATOM 175 CE2 PHE A 12 -3.185 4.581 -13.576 1.00 10.00 C ATOM 176 CZ PHE A 12 -2.382 4.412 -12.433 1.00 10.00 C ATOM 0 H PHE A 12 -3.493 -0.722 -16.692 1.00 10.00 H new ATOM 0 HA PHE A 12 -3.349 -0.379 -13.864 1.00 10.00 H new ATOM 0 HB2 PHE A 12 -1.875 0.729 -15.473 1.00 10.00 H new ATOM 0 HB3 PHE A 12 -3.242 1.555 -16.195 1.00 10.00 H new ATOM 0 HD1 PHE A 12 -1.373 1.193 -12.955 1.00 10.00 H new ATOM 0 HD2 PHE A 12 -3.969 3.654 -15.360 1.00 10.00 H new ATOM 0 HE1 PHE A 12 -1.110 3.057 -11.336 1.00 10.00 H new ATOM 0 HE2 PHE A 12 -3.680 5.525 -13.752 1.00 10.00 H new ATOM 0 HZ PHE A 12 -2.268 5.221 -11.727 1.00 10.00 H new ATOM 186 N ALA A 13 -5.682 0.208 -13.223 1.00 10.00 N ATOM 187 CA ALA A 13 -7.037 0.541 -12.782 1.00 10.00 C ATOM 188 C ALA A 13 -7.130 1.899 -12.062 1.00 10.00 C ATOM 189 O ALA A 13 -8.241 2.388 -11.858 1.00 10.00 O ATOM 190 CB ALA A 13 -7.546 -0.582 -11.872 1.00 10.00 C ATOM 0 H ALA A 13 -5.147 -0.319 -12.533 1.00 10.00 H new ATOM 0 HA ALA A 13 -7.661 0.633 -13.671 1.00 10.00 H new ATOM 0 HB1 ALA A 13 -8.556 -0.348 -11.535 1.00 10.00 H new ATOM 0 HB2 ALA A 13 -7.557 -1.521 -12.425 1.00 10.00 H new ATOM 0 HB3 ALA A 13 -6.888 -0.677 -11.008 1.00 10.00 H new ATOM 196 N ALA A 14 -5.993 2.506 -11.694 1.00 10.00 N ATOM 197 CA ALA A 14 -5.831 3.682 -10.831 1.00 10.00 C ATOM 198 C ALA A 14 -6.482 3.541 -9.444 1.00 10.00 C ATOM 199 O ALA A 14 -5.762 3.434 -8.450 1.00 10.00 O ATOM 200 CB ALA A 14 -6.275 4.965 -11.551 1.00 10.00 C ATOM 0 H ALA A 14 -5.091 2.158 -12.019 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.762 3.757 -10.629 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -6.143 5.819 -10.887 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -5.672 5.106 -12.448 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -7.325 4.881 -11.830 1.00 10.00 H new ATOM 206 N SER A 15 -7.811 3.535 -9.355 1.00 10.00 N ATOM 207 CA SER A 15 -8.566 3.481 -8.109 1.00 10.00 C ATOM 208 C SER A 15 -10.032 3.127 -8.388 1.00 10.00 C ATOM 209 O SER A 15 -10.497 3.226 -9.529 1.00 10.00 O ATOM 210 CB SER A 15 -8.444 4.824 -7.360 1.00 10.00 C ATOM 211 OG SER A 15 -8.635 5.941 -8.218 1.00 10.00 O ATOM 0 H SER A 15 -8.411 3.569 -10.179 1.00 10.00 H new ATOM 0 HA SER A 15 -8.151 2.699 -7.473 1.00 10.00 H new ATOM 0 HB2 SER A 15 -9.179 4.857 -6.556 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.460 4.890 -6.895 1.00 10.00 H new ATOM 0 HG SER A 15 -8.551 6.769 -7.701 1.00 10.00 H new ATOM 217 N PHE A 16 -10.761 2.707 -7.349 1.00 10.00 N ATOM 218 CA PHE A 16 -12.166 2.315 -7.410 1.00 10.00 C ATOM 219 C PHE A 16 -12.781 2.438 -6.008 1.00 10.00 C ATOM 220 O PHE A 16 -12.066 2.678 -5.031 1.00 10.00 O ATOM 221 CB PHE A 16 -12.251 0.868 -7.937 1.00 10.00 C ATOM 222 CG PHE A 16 -13.631 0.353 -8.304 1.00 10.00 C ATOM 223 CD1 PHE A 16 -14.425 1.049 -9.237 1.00 10.00 C ATOM 224 CD2 PHE A 16 -14.101 -0.858 -7.757 1.00 10.00 C ATOM 225 CE1 PHE A 16 -15.685 0.544 -9.608 1.00 10.00 C ATOM 226 CE2 PHE A 16 -15.355 -1.367 -8.139 1.00 10.00 C ATOM 227 CZ PHE A 16 -16.150 -0.665 -9.060 1.00 10.00 C ATOM 0 H PHE A 16 -10.371 2.629 -6.410 1.00 10.00 H new ATOM 0 HA PHE A 16 -12.724 2.964 -8.085 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -11.614 0.789 -8.818 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -11.831 0.206 -7.180 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -14.066 1.972 -9.668 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -13.496 -1.397 -7.042 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -16.296 1.086 -10.315 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -15.708 -2.299 -7.723 1.00 10.00 H new ATOM 0 HZ PHE A 16 -17.116 -1.053 -9.347 1.00 10.00 H new ATOM 237 N VAL A 17 -14.093 2.237 -5.891 1.00 10.00 N ATOM 238 CA VAL A 17 -14.813 2.188 -4.623 1.00 10.00 C ATOM 239 C VAL A 17 -15.754 0.984 -4.720 1.00 10.00 C ATOM 240 O VAL A 17 -16.465 0.833 -5.716 1.00 10.00 O ATOM 241 CB VAL A 17 -15.558 3.516 -4.353 1.00 10.00 C ATOM 242 CG1 VAL A 17 -16.273 3.493 -2.992 1.00 10.00 C ATOM 243 CG2 VAL A 17 -14.610 4.728 -4.362 1.00 10.00 C ATOM 0 H VAL A 17 -14.700 2.100 -6.699 1.00 10.00 H new ATOM 0 HA VAL A 17 -14.138 2.069 -3.775 1.00 10.00 H new ATOM 0 HB VAL A 17 -16.283 3.615 -5.161 1.00 10.00 H new ATOM 0 HG11 VAL A 17 -16.786 4.442 -2.835 1.00 10.00 H new ATOM 0 HG12 VAL A 17 -16.999 2.680 -2.976 1.00 10.00 H new ATOM 0 HG13 VAL A 17 -15.541 3.341 -2.199 1.00 10.00 H new ATOM 0 HG21 VAL A 17 -15.180 5.637 -4.168 1.00 10.00 H new ATOM 0 HG22 VAL A 17 -13.852 4.603 -3.589 1.00 10.00 H new ATOM 0 HG23 VAL A 17 -14.126 4.804 -5.336 1.00 10.00 H new ATOM 253 N LEU A 18 -15.731 0.112 -3.710 1.00 10.00 N ATOM 254 CA LEU A 18 -16.471 -1.146 -3.670 1.00 10.00 C ATOM 255 C LEU A 18 -16.781 -1.421 -2.203 1.00 10.00 C ATOM 256 O LEU A 18 -15.884 -1.314 -1.362 1.00 10.00 O ATOM 257 CB LEU A 18 -15.619 -2.254 -4.331 1.00 10.00 C ATOM 258 CG LEU A 18 -16.185 -3.688 -4.421 1.00 10.00 C ATOM 259 CD1 LEU A 18 -16.096 -4.471 -3.105 1.00 10.00 C ATOM 260 CD2 LEU A 18 -17.611 -3.732 -4.978 1.00 10.00 C ATOM 0 H LEU A 18 -15.176 0.270 -2.869 1.00 10.00 H new ATOM 0 HA LEU A 18 -17.408 -1.107 -4.226 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -15.388 -1.929 -5.345 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -14.674 -2.308 -3.790 1.00 10.00 H new ATOM 0 HG LEU A 18 -15.531 -4.190 -5.134 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -16.513 -5.468 -3.246 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -15.053 -4.553 -2.800 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -16.659 -3.949 -2.332 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -17.954 -4.766 -5.018 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -18.272 -3.154 -4.332 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -17.623 -3.307 -5.982 1.00 10.00 H new ATOM 272 N ASP A 19 -18.045 -1.747 -1.916 1.00 10.00 N ATOM 273 CA ASP A 19 -18.613 -1.972 -0.581 1.00 10.00 C ATOM 274 C ASP A 19 -18.190 -0.900 0.432 1.00 10.00 C ATOM 275 O ASP A 19 -17.663 -1.188 1.511 1.00 10.00 O ATOM 276 CB ASP A 19 -18.380 -3.413 -0.098 1.00 10.00 C ATOM 277 CG ASP A 19 -19.129 -3.707 1.217 1.00 10.00 C ATOM 278 OD1 ASP A 19 -20.306 -3.304 1.364 1.00 10.00 O ATOM 279 OD2 ASP A 19 -18.569 -4.403 2.095 1.00 10.00 O ATOM 0 H ASP A 19 -18.741 -1.868 -2.652 1.00 10.00 H new ATOM 0 HA ASP A 19 -19.694 -1.859 -0.667 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -18.709 -4.111 -0.867 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -17.313 -3.579 0.047 1.00 10.00 H new ATOM 284 N GLY A 20 -18.384 0.367 0.046 1.00 10.00 N ATOM 285 CA GLY A 20 -18.154 1.524 0.908 1.00 10.00 C ATOM 286 C GLY A 20 -16.695 1.674 1.347 1.00 10.00 C ATOM 287 O GLY A 20 -16.424 2.323 2.360 1.00 10.00 O ATOM 0 H GLY A 20 -18.710 0.617 -0.888 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -18.462 2.427 0.381 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -18.785 1.440 1.793 1.00 10.00 H new ATOM 291 N THR A 21 -15.761 1.084 0.599 1.00 10.00 N ATOM 292 CA THR A 21 -14.334 1.082 0.874 1.00 10.00 C ATOM 293 C THR A 21 -13.650 1.570 -0.405 1.00 10.00 C ATOM 294 O THR A 21 -14.123 1.268 -1.506 1.00 10.00 O ATOM 295 CB THR A 21 -13.918 -0.348 1.283 1.00 10.00 C ATOM 296 OG1 THR A 21 -14.752 -0.836 2.323 1.00 10.00 O ATOM 297 CG2 THR A 21 -12.466 -0.434 1.766 1.00 10.00 C ATOM 0 H THR A 21 -15.995 0.573 -0.252 1.00 10.00 H new ATOM 0 HA THR A 21 -14.047 1.737 1.696 1.00 10.00 H new ATOM 0 HB THR A 21 -14.022 -0.953 0.382 1.00 10.00 H new ATOM 0 HG1 THR A 21 -15.648 -1.013 1.968 1.00 10.00 H new ATOM 0 HG21 THR A 21 -12.234 -1.463 2.039 1.00 10.00 H new ATOM 0 HG22 THR A 21 -11.797 -0.110 0.968 1.00 10.00 H new ATOM 0 HG23 THR A 21 -12.333 0.211 2.635 1.00 10.00 H new ATOM 305 N LYS A 22 -12.574 2.354 -0.279 1.00 10.00 N ATOM 306 CA LYS A 22 -11.804 2.844 -1.422 1.00 10.00 C ATOM 307 C LYS A 22 -10.670 1.859 -1.715 1.00 10.00 C ATOM 308 O LYS A 22 -10.174 1.184 -0.811 1.00 10.00 O ATOM 309 CB LYS A 22 -11.288 4.264 -1.124 1.00 10.00 C ATOM 310 CG LYS A 22 -10.637 4.929 -2.350 1.00 10.00 C ATOM 311 CD LYS A 22 -10.322 6.407 -2.084 1.00 10.00 C ATOM 312 CE LYS A 22 -9.679 7.036 -3.328 1.00 10.00 C ATOM 313 NZ LYS A 22 -9.377 8.478 -3.135 1.00 10.00 N ATOM 0 H LYS A 22 -12.213 2.666 0.623 1.00 10.00 H new ATOM 0 HA LYS A 22 -12.429 2.908 -2.313 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -12.116 4.882 -0.778 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -10.562 4.219 -0.312 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -9.719 4.401 -2.608 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.304 4.846 -3.208 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -11.236 6.942 -1.826 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -9.649 6.497 -1.231 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -8.759 6.503 -3.568 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -10.348 6.917 -4.180 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -8.944 8.861 -4.000 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -10.257 8.993 -2.931 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -8.718 8.591 -2.339 1.00 10.00 H new ATOM 327 N TRP A 23 -10.257 1.806 -2.976 1.00 10.00 N ATOM 328 CA TRP A 23 -9.326 0.839 -3.533 1.00 10.00 C ATOM 329 C TRP A 23 -8.403 1.629 -4.476 1.00 10.00 C ATOM 330 O TRP A 23 -8.880 2.553 -5.139 1.00 10.00 O ATOM 331 CB TRP A 23 -10.180 -0.241 -4.233 1.00 10.00 C ATOM 332 CG TRP A 23 -11.115 -1.007 -3.338 1.00 10.00 C ATOM 333 CD1 TRP A 23 -12.372 -0.626 -3.032 1.00 10.00 C ATOM 334 CD2 TRP A 23 -10.909 -2.263 -2.611 1.00 10.00 C ATOM 335 NE1 TRP A 23 -12.937 -1.505 -2.133 1.00 10.00 N ATOM 336 CE2 TRP A 23 -12.088 -2.552 -1.856 1.00 10.00 C ATOM 337 CE3 TRP A 23 -9.854 -3.198 -2.518 1.00 10.00 C ATOM 338 CZ2 TRP A 23 -12.210 -3.700 -1.055 1.00 10.00 C ATOM 339 CZ3 TRP A 23 -9.961 -4.351 -1.716 1.00 10.00 C ATOM 340 CH2 TRP A 23 -11.137 -4.605 -0.986 1.00 10.00 C ATOM 0 H TRP A 23 -10.583 2.475 -3.674 1.00 10.00 H new ATOM 0 HA TRP A 23 -8.695 0.328 -2.806 1.00 10.00 H new ATOM 0 HB2 TRP A 23 -10.766 0.237 -5.018 1.00 10.00 H new ATOM 0 HB3 TRP A 23 -9.510 -0.949 -4.721 1.00 10.00 H new ATOM 0 HD1 TRP A 23 -12.867 0.246 -3.435 1.00 10.00 H new ATOM 0 HE1 TRP A 23 -13.865 -1.394 -1.725 1.00 10.00 H new ATOM 0 HE3 TRP A 23 -8.945 -3.025 -3.074 1.00 10.00 H new ATOM 0 HZ2 TRP A 23 -13.117 -3.885 -0.499 1.00 10.00 H new ATOM 0 HZ3 TRP A 23 -9.135 -5.045 -1.661 1.00 10.00 H new ATOM 0 HH2 TRP A 23 -11.215 -5.492 -0.375 1.00 10.00 H new ATOM 351 N ILE A 24 -7.094 1.343 -4.519 1.00 10.00 N ATOM 352 CA ILE A 24 -6.089 2.206 -5.155 1.00 10.00 C ATOM 353 C ILE A 24 -4.848 1.418 -5.624 1.00 10.00 C ATOM 354 O ILE A 24 -4.572 0.312 -5.155 1.00 10.00 O ATOM 355 CB ILE A 24 -5.755 3.367 -4.177 1.00 10.00 C ATOM 356 CG1 ILE A 24 -4.931 4.483 -4.858 1.00 10.00 C ATOM 357 CG2 ILE A 24 -5.086 2.870 -2.881 1.00 10.00 C ATOM 358 CD1 ILE A 24 -4.925 5.803 -4.076 1.00 10.00 C ATOM 0 H ILE A 24 -6.699 0.497 -4.109 1.00 10.00 H new ATOM 0 HA ILE A 24 -6.495 2.631 -6.073 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.709 3.807 -3.887 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -3.904 4.140 -4.984 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.332 4.663 -5.856 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -4.873 3.720 -2.232 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -5.756 2.180 -2.367 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -4.155 2.358 -3.125 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -4.328 6.541 -4.612 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -5.946 6.169 -3.972 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -4.496 5.638 -3.087 1.00 10.00 H new ATOM 370 N PHE A 25 -4.101 1.981 -6.578 1.00 10.00 N ATOM 371 CA PHE A 25 -2.790 1.516 -7.031 1.00 10.00 C ATOM 372 C PHE A 25 -1.767 1.441 -5.885 1.00 10.00 C ATOM 373 O PHE A 25 -1.862 2.192 -4.910 1.00 10.00 O ATOM 374 CB PHE A 25 -2.317 2.474 -8.140 1.00 10.00 C ATOM 375 CG PHE A 25 -0.883 2.300 -8.614 1.00 10.00 C ATOM 376 CD1 PHE A 25 -0.501 1.142 -9.317 1.00 10.00 C ATOM 377 CD2 PHE A 25 0.074 3.305 -8.364 1.00 10.00 C ATOM 378 CE1 PHE A 25 0.819 0.992 -9.778 1.00 10.00 C ATOM 379 CE2 PHE A 25 1.394 3.154 -8.823 1.00 10.00 C ATOM 380 CZ PHE A 25 1.768 1.999 -9.533 1.00 10.00 C ATOM 0 H PHE A 25 -4.411 2.814 -7.079 1.00 10.00 H new ATOM 0 HA PHE A 25 -2.877 0.499 -7.413 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -2.978 2.356 -8.999 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.438 3.497 -7.783 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.226 0.364 -9.504 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -0.208 4.193 -7.818 1.00 10.00 H new ATOM 0 HE1 PHE A 25 1.104 0.103 -10.321 1.00 10.00 H new ATOM 0 HE2 PHE A 25 2.123 3.927 -8.630 1.00 10.00 H new ATOM 0 HZ PHE A 25 2.781 1.886 -9.889 1.00 10.00 H new ATOM 390 N LYS A 26 -0.743 0.585 -6.042 1.00 10.00 N ATOM 391 CA LYS A 26 0.446 0.577 -5.187 1.00 10.00 C ATOM 392 C LYS A 26 1.693 0.363 -6.061 1.00 10.00 C ATOM 393 O LYS A 26 2.493 1.296 -6.144 1.00 10.00 O ATOM 394 CB LYS A 26 0.254 -0.433 -4.034 1.00 10.00 C ATOM 395 CG LYS A 26 1.194 -0.275 -2.828 1.00 10.00 C ATOM 396 CD LYS A 26 2.661 -0.622 -3.124 1.00 10.00 C ATOM 397 CE LYS A 26 3.493 -0.839 -1.850 1.00 10.00 C ATOM 398 NZ LYS A 26 3.650 0.394 -1.036 1.00 10.00 N ATOM 0 H LYS A 26 -0.722 -0.125 -6.774 1.00 10.00 H new ATOM 0 HA LYS A 26 0.599 1.536 -4.693 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -0.774 -0.356 -3.679 1.00 10.00 H new ATOM 0 HB3 LYS A 26 0.378 -1.439 -4.436 1.00 10.00 H new ATOM 0 HG2 LYS A 26 1.140 0.754 -2.472 1.00 10.00 H new ATOM 0 HG3 LYS A 26 0.838 -0.912 -2.018 1.00 10.00 H new ATOM 0 HD2 LYS A 26 2.700 -1.524 -3.735 1.00 10.00 H new ATOM 0 HD3 LYS A 26 3.108 0.180 -3.711 1.00 10.00 H new ATOM 0 HE2 LYS A 26 3.020 -1.610 -1.242 1.00 10.00 H new ATOM 0 HE3 LYS A 26 4.479 -1.212 -2.127 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 4.220 0.183 -0.192 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 4.127 1.125 -1.602 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 2.713 0.739 -0.744 1.00 10.00 H new ATOM 412 N SER A 27 1.839 -0.772 -6.763 1.00 10.00 N ATOM 413 CA SER A 27 2.977 -1.041 -7.655 1.00 10.00 C ATOM 414 C SER A 27 2.605 -2.047 -8.755 1.00 10.00 C ATOM 415 O SER A 27 1.846 -2.984 -8.508 1.00 10.00 O ATOM 416 CB SER A 27 4.140 -1.650 -6.848 1.00 10.00 C ATOM 417 OG SER A 27 4.549 -0.845 -5.757 1.00 10.00 O ATOM 0 H SER A 27 1.164 -1.536 -6.727 1.00 10.00 H new ATOM 0 HA SER A 27 3.263 -0.092 -8.108 1.00 10.00 H new ATOM 0 HB2 SER A 27 3.840 -2.629 -6.475 1.00 10.00 H new ATOM 0 HB3 SER A 27 4.990 -1.808 -7.512 1.00 10.00 H new ATOM 0 HG SER A 27 5.287 -1.285 -5.285 1.00 10.00 H new ATOM 423 N LYS A 28 3.219 -1.942 -9.941 1.00 10.00 N ATOM 424 CA LYS A 28 3.263 -3.033 -10.920 1.00 10.00 C ATOM 425 C LYS A 28 4.586 -2.994 -11.688 1.00 10.00 C ATOM 426 O LYS A 28 5.243 -1.950 -11.719 1.00 10.00 O ATOM 427 CB LYS A 28 2.041 -3.023 -11.867 1.00 10.00 C ATOM 428 CG LYS A 28 1.990 -1.846 -12.859 1.00 10.00 C ATOM 429 CD LYS A 28 0.935 -2.075 -13.955 1.00 10.00 C ATOM 430 CE LYS A 28 1.036 -0.965 -15.014 1.00 10.00 C ATOM 431 NZ LYS A 28 0.572 -1.408 -16.355 1.00 10.00 N ATOM 0 H LYS A 28 3.700 -1.096 -10.248 1.00 10.00 H new ATOM 0 HA LYS A 28 3.209 -3.976 -10.377 1.00 10.00 H new ATOM 0 HB2 LYS A 28 2.032 -3.955 -12.433 1.00 10.00 H new ATOM 0 HB3 LYS A 28 1.134 -3.008 -11.263 1.00 10.00 H new ATOM 0 HG2 LYS A 28 1.763 -0.926 -12.321 1.00 10.00 H new ATOM 0 HG3 LYS A 28 2.970 -1.713 -13.318 1.00 10.00 H new ATOM 0 HD2 LYS A 28 1.086 -3.049 -14.420 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -0.063 -2.082 -13.516 1.00 10.00 H new ATOM 0 HE2 LYS A 28 0.443 -0.108 -14.694 1.00 10.00 H new ATOM 0 HE3 LYS A 28 2.070 -0.629 -15.085 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 0.403 -0.576 -16.956 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 1.299 -2.009 -16.793 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -0.311 -1.949 -16.256 1.00 10.00 H new ATOM 445 N TYR A 29 4.956 -4.107 -12.318 1.00 10.00 N ATOM 446 CA TYR A 29 6.122 -4.246 -13.185 1.00 10.00 C ATOM 447 C TYR A 29 5.861 -5.380 -14.182 1.00 10.00 C ATOM 448 O TYR A 29 4.951 -6.186 -13.978 1.00 10.00 O ATOM 449 CB TYR A 29 7.385 -4.523 -12.346 1.00 10.00 C ATOM 450 CG TYR A 29 7.411 -5.853 -11.605 1.00 10.00 C ATOM 451 CD1 TYR A 29 6.771 -5.987 -10.357 1.00 10.00 C ATOM 452 CD2 TYR A 29 8.110 -6.949 -12.150 1.00 10.00 C ATOM 453 CE1 TYR A 29 6.830 -7.204 -9.653 1.00 10.00 C ATOM 454 CE2 TYR A 29 8.175 -8.168 -11.453 1.00 10.00 C ATOM 455 CZ TYR A 29 7.538 -8.300 -10.198 1.00 10.00 C ATOM 456 OH TYR A 29 7.626 -9.482 -9.524 1.00 10.00 O ATOM 0 H TYR A 29 4.427 -4.975 -12.234 1.00 10.00 H new ATOM 0 HA TYR A 29 6.290 -3.319 -13.733 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.252 -4.479 -13.005 1.00 10.00 H new ATOM 0 HB3 TYR A 29 7.497 -3.720 -11.617 1.00 10.00 H new ATOM 0 HD1 TYR A 29 6.232 -5.150 -9.938 1.00 10.00 H new ATOM 0 HD2 TYR A 29 8.598 -6.852 -13.108 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.335 -7.301 -8.698 1.00 10.00 H new ATOM 0 HE2 TYR A 29 8.712 -9.004 -11.876 1.00 10.00 H new ATOM 0 HH TYR A 29 8.150 -10.121 -10.051 1.00 10.00 H new ATOM 466 N TYR A 30 6.650 -5.458 -15.255 1.00 10.00 N ATOM 467 CA TYR A 30 6.567 -6.549 -16.220 1.00 10.00 C ATOM 468 C TYR A 30 7.626 -7.583 -15.849 1.00 10.00 C ATOM 469 O TYR A 30 8.812 -7.253 -15.768 1.00 10.00 O ATOM 470 CB TYR A 30 6.757 -6.009 -17.640 1.00 10.00 C ATOM 471 CG TYR A 30 6.495 -7.039 -18.723 1.00 10.00 C ATOM 472 CD1 TYR A 30 5.171 -7.377 -19.058 1.00 10.00 C ATOM 473 CD2 TYR A 30 7.567 -7.640 -19.412 1.00 10.00 C ATOM 474 CE1 TYR A 30 4.911 -8.282 -20.101 1.00 10.00 C ATOM 475 CE2 TYR A 30 7.316 -8.543 -20.460 1.00 10.00 C ATOM 476 CZ TYR A 30 5.984 -8.856 -20.821 1.00 10.00 C ATOM 477 OH TYR A 30 5.721 -9.697 -21.860 1.00 10.00 O ATOM 0 H TYR A 30 7.364 -4.765 -15.477 1.00 10.00 H new ATOM 0 HA TYR A 30 5.586 -7.023 -16.194 1.00 10.00 H new ATOM 0 HB2 TYR A 30 6.090 -5.160 -17.789 1.00 10.00 H new ATOM 0 HB3 TYR A 30 7.776 -5.636 -17.744 1.00 10.00 H new ATOM 0 HD1 TYR A 30 4.350 -6.938 -18.510 1.00 10.00 H new ATOM 0 HD2 TYR A 30 8.584 -7.406 -19.134 1.00 10.00 H new ATOM 0 HE1 TYR A 30 3.893 -8.539 -20.352 1.00 10.00 H new ATOM 0 HE2 TYR A 30 8.140 -8.998 -20.990 1.00 10.00 H new ATOM 0 HH TYR A 30 6.564 -10.006 -22.252 1.00 10.00 H new ATOM 487 N ASP A 31 7.207 -8.821 -15.594 1.00 10.00 N ATOM 488 CA ASP A 31 8.106 -9.918 -15.267 1.00 10.00 C ATOM 489 C ASP A 31 8.507 -10.632 -16.551 1.00 10.00 C ATOM 490 O ASP A 31 7.882 -11.612 -16.969 1.00 10.00 O ATOM 491 CB ASP A 31 7.493 -10.899 -14.261 1.00 10.00 C ATOM 492 CG ASP A 31 8.465 -12.058 -13.969 1.00 10.00 C ATOM 493 OD1 ASP A 31 9.689 -11.903 -14.196 1.00 10.00 O ATOM 494 OD2 ASP A 31 8.011 -13.116 -13.485 1.00 10.00 O ATOM 0 H ASP A 31 6.223 -9.090 -15.610 1.00 10.00 H new ATOM 0 HA ASP A 31 8.990 -9.502 -14.784 1.00 10.00 H new ATOM 0 HB2 ASP A 31 7.254 -10.376 -13.335 1.00 10.00 H new ATOM 0 HB3 ASP A 31 6.556 -11.294 -14.655 1.00 10.00 H new ATOM 499 N SER A 32 9.562 -10.134 -17.189 1.00 10.00 N ATOM 500 CA SER A 32 10.136 -10.694 -18.406 1.00 10.00 C ATOM 501 C SER A 32 10.540 -12.174 -18.266 1.00 10.00 C ATOM 502 O SER A 32 10.712 -12.849 -19.284 1.00 10.00 O ATOM 503 CB SER A 32 11.344 -9.838 -18.813 1.00 10.00 C ATOM 504 OG SER A 32 11.032 -8.452 -18.742 1.00 10.00 O ATOM 0 H SER A 32 10.056 -9.303 -16.862 1.00 10.00 H new ATOM 0 HA SER A 32 9.369 -10.672 -19.180 1.00 10.00 H new ATOM 0 HB2 SER A 32 12.188 -10.059 -18.159 1.00 10.00 H new ATOM 0 HB3 SER A 32 11.651 -10.094 -19.827 1.00 10.00 H new ATOM 0 HG SER A 32 11.816 -7.926 -19.004 1.00 10.00 H new ATOM 510 N SER A 33 10.665 -12.704 -17.042 1.00 10.00 N ATOM 511 CA SER A 33 10.967 -14.115 -16.801 1.00 10.00 C ATOM 512 C SER A 33 9.839 -15.034 -17.297 1.00 10.00 C ATOM 513 O SER A 33 10.102 -16.194 -17.618 1.00 10.00 O ATOM 514 CB SER A 33 11.223 -14.369 -15.305 1.00 10.00 C ATOM 515 OG SER A 33 11.820 -13.258 -14.660 1.00 10.00 O ATOM 0 H SER A 33 10.558 -12.159 -16.187 1.00 10.00 H new ATOM 0 HA SER A 33 11.869 -14.350 -17.366 1.00 10.00 H new ATOM 0 HB2 SER A 33 10.279 -14.606 -14.814 1.00 10.00 H new ATOM 0 HB3 SER A 33 11.869 -15.240 -15.193 1.00 10.00 H new ATOM 0 HG SER A 33 11.140 -12.774 -14.146 1.00 10.00 H new ATOM 521 N LYS A 34 8.595 -14.534 -17.367 1.00 10.00 N ATOM 522 CA LYS A 34 7.416 -15.308 -17.781 1.00 10.00 C ATOM 523 C LYS A 34 6.534 -14.548 -18.776 1.00 10.00 C ATOM 524 O LYS A 34 5.675 -15.166 -19.407 1.00 10.00 O ATOM 525 CB LYS A 34 6.601 -15.731 -16.543 1.00 10.00 C ATOM 526 CG LYS A 34 7.295 -16.749 -15.619 1.00 10.00 C ATOM 527 CD LYS A 34 7.488 -18.125 -16.285 1.00 10.00 C ATOM 528 CE LYS A 34 8.043 -19.182 -15.318 1.00 10.00 C ATOM 529 NZ LYS A 34 9.439 -18.907 -14.891 1.00 10.00 N ATOM 0 H LYS A 34 8.378 -13.565 -17.134 1.00 10.00 H new ATOM 0 HA LYS A 34 7.776 -16.198 -18.298 1.00 10.00 H new ATOM 0 HB2 LYS A 34 6.363 -14.840 -15.962 1.00 10.00 H new ATOM 0 HB3 LYS A 34 5.654 -16.155 -16.878 1.00 10.00 H new ATOM 0 HG2 LYS A 34 8.266 -16.357 -15.318 1.00 10.00 H new ATOM 0 HG3 LYS A 34 6.705 -16.870 -14.711 1.00 10.00 H new ATOM 0 HD2 LYS A 34 6.533 -18.468 -16.682 1.00 10.00 H new ATOM 0 HD3 LYS A 34 8.167 -18.022 -17.132 1.00 10.00 H new ATOM 0 HE2 LYS A 34 7.403 -19.231 -14.437 1.00 10.00 H new ATOM 0 HE3 LYS A 34 8.002 -20.160 -15.797 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 9.757 -19.654 -14.241 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 10.060 -18.887 -15.725 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 9.479 -17.987 -14.408 1.00 10.00 H new ATOM 543 N GLY A 35 6.759 -13.247 -18.975 1.00 10.00 N ATOM 544 CA GLY A 35 6.120 -12.480 -20.031 1.00 10.00 C ATOM 545 C GLY A 35 4.707 -12.049 -19.648 1.00 10.00 C ATOM 546 O GLY A 35 3.790 -12.162 -20.464 1.00 10.00 O ATOM 0 H GLY A 35 7.397 -12.697 -18.399 1.00 10.00 H new ATOM 0 HA2 GLY A 35 6.721 -11.598 -20.253 1.00 10.00 H new ATOM 0 HA3 GLY A 35 6.083 -13.078 -20.942 1.00 10.00 H new ATOM 550 N TYR A 36 4.513 -11.585 -18.410 1.00 10.00 N ATOM 551 CA TYR A 36 3.262 -10.985 -17.958 1.00 10.00 C ATOM 552 C TYR A 36 3.562 -9.879 -16.947 1.00 10.00 C ATOM 553 O TYR A 36 4.666 -9.815 -16.400 1.00 10.00 O ATOM 554 CB TYR A 36 2.304 -12.053 -17.396 1.00 10.00 C ATOM 555 CG TYR A 36 2.863 -13.093 -16.434 1.00 10.00 C ATOM 556 CD1 TYR A 36 3.402 -12.711 -15.189 1.00 10.00 C ATOM 557 CD2 TYR A 36 2.762 -14.463 -16.753 1.00 10.00 C ATOM 558 CE1 TYR A 36 3.850 -13.685 -14.280 1.00 10.00 C ATOM 559 CE2 TYR A 36 3.183 -15.442 -15.838 1.00 10.00 C ATOM 560 CZ TYR A 36 3.733 -15.057 -14.593 1.00 10.00 C ATOM 561 OH TYR A 36 4.145 -15.991 -13.691 1.00 10.00 O ATOM 0 H TYR A 36 5.232 -11.618 -17.687 1.00 10.00 H new ATOM 0 HA TYR A 36 2.750 -10.534 -18.808 1.00 10.00 H new ATOM 0 HB2 TYR A 36 1.490 -11.535 -16.889 1.00 10.00 H new ATOM 0 HB3 TYR A 36 1.866 -12.584 -18.241 1.00 10.00 H new ATOM 0 HD1 TYR A 36 3.471 -11.664 -14.932 1.00 10.00 H new ATOM 0 HD2 TYR A 36 2.358 -14.762 -17.709 1.00 10.00 H new ATOM 0 HE1 TYR A 36 4.285 -13.383 -13.339 1.00 10.00 H new ATOM 0 HE2 TYR A 36 3.087 -16.489 -16.085 1.00 10.00 H new ATOM 0 HH TYR A 36 3.996 -16.888 -14.057 1.00 10.00 H new ATOM 571 N TRP A 37 2.590 -9.001 -16.692 1.00 10.00 N ATOM 572 CA TRP A 37 2.701 -8.034 -15.615 1.00 10.00 C ATOM 573 C TRP A 37 2.462 -8.739 -14.286 1.00 10.00 C ATOM 574 O TRP A 37 1.735 -9.732 -14.213 1.00 10.00 O ATOM 575 CB TRP A 37 1.716 -6.875 -15.809 1.00 10.00 C ATOM 576 CG TRP A 37 2.041 -5.966 -16.953 1.00 10.00 C ATOM 577 CD1 TRP A 37 1.714 -6.165 -18.250 1.00 10.00 C ATOM 578 CD2 TRP A 37 2.762 -4.698 -16.918 1.00 10.00 C ATOM 579 NE1 TRP A 37 2.186 -5.116 -19.015 1.00 10.00 N ATOM 580 CE2 TRP A 37 2.846 -4.181 -18.246 1.00 10.00 C ATOM 581 CE3 TRP A 37 3.344 -3.925 -15.891 1.00 10.00 C ATOM 582 CZ2 TRP A 37 3.484 -2.966 -18.536 1.00 10.00 C ATOM 583 CZ3 TRP A 37 3.990 -2.706 -16.169 1.00 10.00 C ATOM 584 CH2 TRP A 37 4.061 -2.226 -17.489 1.00 10.00 C ATOM 0 H TRP A 37 1.720 -8.945 -17.221 1.00 10.00 H new ATOM 0 HA TRP A 37 3.704 -7.607 -15.620 1.00 10.00 H new ATOM 0 HB2 TRP A 37 0.718 -7.285 -15.960 1.00 10.00 H new ATOM 0 HB3 TRP A 37 1.683 -6.286 -14.892 1.00 10.00 H new ATOM 0 HD1 TRP A 37 1.167 -7.015 -18.630 1.00 10.00 H new ATOM 0 HE1 TRP A 37 2.062 -5.042 -20.025 1.00 10.00 H new ATOM 0 HE3 TRP A 37 3.293 -4.276 -14.871 1.00 10.00 H new ATOM 0 HZ2 TRP A 37 3.531 -2.603 -19.552 1.00 10.00 H new ATOM 0 HZ3 TRP A 37 4.433 -2.137 -15.365 1.00 10.00 H new ATOM 0 HH2 TRP A 37 4.558 -1.290 -17.698 1.00 10.00 H new ATOM 595 N VAL A 38 3.045 -8.180 -13.234 1.00 10.00 N ATOM 596 CA VAL A 38 2.924 -8.604 -11.851 1.00 10.00 C ATOM 597 C VAL A 38 2.753 -7.315 -11.045 1.00 10.00 C ATOM 598 O VAL A 38 3.249 -6.261 -11.458 1.00 10.00 O ATOM 599 CB VAL A 38 4.188 -9.394 -11.438 1.00 10.00 C ATOM 600 CG1 VAL A 38 4.118 -9.871 -9.979 1.00 10.00 C ATOM 601 CG2 VAL A 38 4.421 -10.613 -12.347 1.00 10.00 C ATOM 0 H VAL A 38 3.653 -7.367 -13.333 1.00 10.00 H new ATOM 0 HA VAL A 38 2.080 -9.272 -11.681 1.00 10.00 H new ATOM 0 HB VAL A 38 5.022 -8.700 -11.545 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.026 -10.421 -9.732 1.00 10.00 H new ATOM 0 HG12 VAL A 38 4.025 -9.009 -9.318 1.00 10.00 H new ATOM 0 HG13 VAL A 38 3.253 -10.522 -9.850 1.00 10.00 H new ATOM 0 HG21 VAL A 38 5.318 -11.141 -12.024 1.00 10.00 H new ATOM 0 HG22 VAL A 38 3.563 -11.283 -12.285 1.00 10.00 H new ATOM 0 HG23 VAL A 38 4.547 -10.280 -13.377 1.00 10.00 H new ATOM 611 N GLY A 39 2.068 -7.360 -9.902 1.00 10.00 N ATOM 612 CA GLY A 39 1.931 -6.175 -9.075 1.00 10.00 C ATOM 613 C GLY A 39 1.472 -6.465 -7.659 1.00 10.00 C ATOM 614 O GLY A 39 1.040 -7.573 -7.329 1.00 10.00 O ATOM 0 H GLY A 39 1.608 -8.194 -9.537 1.00 10.00 H new ATOM 0 HA2 GLY A 39 2.889 -5.657 -9.037 1.00 10.00 H new ATOM 0 HA3 GLY A 39 1.220 -5.496 -9.545 1.00 10.00 H new ATOM 618 N ILE A 40 1.562 -5.412 -6.852 1.00 10.00 N ATOM 619 CA ILE A 40 1.070 -5.304 -5.491 1.00 10.00 C ATOM 620 C ILE A 40 0.015 -4.219 -5.642 1.00 10.00 C ATOM 621 O ILE A 40 0.335 -3.123 -6.104 1.00 10.00 O ATOM 622 CB ILE A 40 2.195 -4.864 -4.517 1.00 10.00 C ATOM 623 CG1 ILE A 40 3.441 -5.775 -4.593 1.00 10.00 C ATOM 624 CG2 ILE A 40 1.638 -4.805 -3.082 1.00 10.00 C ATOM 625 CD1 ILE A 40 4.617 -5.294 -3.731 1.00 10.00 C ATOM 0 H ILE A 40 2.015 -4.551 -7.159 1.00 10.00 H new ATOM 0 HA ILE A 40 0.695 -6.239 -5.076 1.00 10.00 H new ATOM 0 HB ILE A 40 2.528 -3.871 -4.820 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.163 -6.782 -4.281 1.00 10.00 H new ATOM 0 HG13 ILE A 40 3.767 -5.842 -5.631 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.428 -4.496 -2.397 1.00 10.00 H new ATOM 0 HG22 ILE A 40 0.819 -4.087 -3.039 1.00 10.00 H new ATOM 0 HG23 ILE A 40 1.272 -5.790 -2.793 1.00 10.00 H new ATOM 0 HD11 ILE A 40 5.453 -5.985 -3.838 1.00 10.00 H new ATOM 0 HD12 ILE A 40 4.924 -4.300 -4.057 1.00 10.00 H new ATOM 0 HD13 ILE A 40 4.310 -5.255 -2.686 1.00 10.00 H new ATOM 637 N TYR A 41 -1.238 -4.509 -5.325 1.00 10.00 N ATOM 638 CA TYR A 41 -2.333 -3.643 -5.724 1.00 10.00 C ATOM 639 C TYR A 41 -3.371 -3.645 -4.622 1.00 10.00 C ATOM 640 O TYR A 41 -3.566 -4.658 -3.955 1.00 10.00 O ATOM 641 CB TYR A 41 -2.916 -4.159 -7.056 1.00 10.00 C ATOM 642 CG TYR A 41 -2.837 -3.173 -8.207 1.00 10.00 C ATOM 643 CD1 TYR A 41 -3.622 -2.007 -8.177 1.00 10.00 C ATOM 644 CD2 TYR A 41 -2.032 -3.442 -9.331 1.00 10.00 C ATOM 645 CE1 TYR A 41 -3.648 -1.137 -9.280 1.00 10.00 C ATOM 646 CE2 TYR A 41 -2.055 -2.579 -10.443 1.00 10.00 C ATOM 647 CZ TYR A 41 -2.872 -1.427 -10.424 1.00 10.00 C ATOM 648 OH TYR A 41 -2.866 -0.566 -11.477 1.00 10.00 O ATOM 0 H TYR A 41 -1.519 -5.334 -4.795 1.00 10.00 H new ATOM 0 HA TYR A 41 -1.993 -2.619 -5.877 1.00 10.00 H new ATOM 0 HB2 TYR A 41 -2.389 -5.070 -7.339 1.00 10.00 H new ATOM 0 HB3 TYR A 41 -3.960 -4.431 -6.899 1.00 10.00 H new ATOM 0 HD1 TYR A 41 -4.209 -1.778 -7.300 1.00 10.00 H new ATOM 0 HD2 TYR A 41 -1.395 -4.314 -9.340 1.00 10.00 H new ATOM 0 HE1 TYR A 41 -4.260 -0.248 -9.253 1.00 10.00 H new ATOM 0 HE2 TYR A 41 -1.449 -2.798 -11.310 1.00 10.00 H new ATOM 0 HH TYR A 41 -2.271 0.188 -11.280 1.00 10.00 H new ATOM 658 N GLU A 42 -4.091 -2.537 -4.472 1.00 10.00 N ATOM 659 CA GLU A 42 -5.226 -2.438 -3.567 1.00 10.00 C ATOM 660 C GLU A 42 -6.467 -2.105 -4.401 1.00 10.00 C ATOM 661 O GLU A 42 -7.341 -1.406 -3.912 1.00 10.00 O ATOM 662 CB GLU A 42 -4.911 -1.416 -2.450 1.00 10.00 C ATOM 663 CG GLU A 42 -5.698 -1.698 -1.162 1.00 10.00 C ATOM 664 CD GLU A 42 -5.388 -0.655 -0.072 1.00 10.00 C ATOM 665 OE1 GLU A 42 -4.426 -0.850 0.706 1.00 10.00 O ATOM 666 OE2 GLU A 42 -6.121 0.353 0.041 1.00 10.00 O ATOM 0 H GLU A 42 -3.899 -1.675 -4.982 1.00 10.00 H new ATOM 0 HA GLU A 42 -5.427 -3.377 -3.052 1.00 10.00 H new ATOM 0 HB2 GLU A 42 -3.843 -1.437 -2.232 1.00 10.00 H new ATOM 0 HB3 GLU A 42 -5.145 -0.412 -2.803 1.00 10.00 H new ATOM 0 HG2 GLU A 42 -6.766 -1.693 -1.379 1.00 10.00 H new ATOM 0 HG3 GLU A 42 -5.452 -2.694 -0.795 1.00 10.00 H new ATOM 673 N VAL A 43 -6.541 -2.557 -5.665 1.00 10.00 N ATOM 674 CA VAL A 43 -7.752 -2.476 -6.491 1.00 10.00 C ATOM 675 C VAL A 43 -7.768 -3.561 -7.576 1.00 10.00 C ATOM 676 O VAL A 43 -8.795 -4.222 -7.745 1.00 10.00 O ATOM 677 CB VAL A 43 -7.955 -1.052 -7.081 1.00 10.00 C ATOM 678 CG1 VAL A 43 -6.795 -0.493 -7.910 1.00 10.00 C ATOM 679 CG2 VAL A 43 -9.236 -0.952 -7.915 1.00 10.00 C ATOM 0 H VAL A 43 -5.753 -2.992 -6.144 1.00 10.00 H new ATOM 0 HA VAL A 43 -8.604 -2.667 -5.838 1.00 10.00 H new ATOM 0 HB VAL A 43 -8.021 -0.436 -6.184 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -7.051 0.504 -8.268 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -5.899 -0.437 -7.291 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -6.608 -1.147 -8.761 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -9.337 0.060 -8.307 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -9.187 -1.659 -8.743 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -10.097 -1.186 -7.289 1.00 10.00 H new ATOM 689 N TRP A 44 -6.666 -3.750 -8.315 1.00 10.00 N ATOM 690 CA TRP A 44 -6.656 -4.633 -9.477 1.00 10.00 C ATOM 691 C TRP A 44 -6.868 -6.088 -9.046 1.00 10.00 C ATOM 692 O TRP A 44 -6.424 -6.500 -7.971 1.00 10.00 O ATOM 693 CB TRP A 44 -5.347 -4.456 -10.261 1.00 10.00 C ATOM 694 CG TRP A 44 -5.265 -5.111 -11.609 1.00 10.00 C ATOM 695 CD1 TRP A 44 -6.235 -5.117 -12.553 1.00 10.00 C ATOM 696 CD2 TRP A 44 -4.130 -5.810 -12.211 1.00 10.00 C ATOM 697 NE1 TRP A 44 -5.798 -5.802 -13.668 1.00 10.00 N ATOM 698 CE2 TRP A 44 -4.503 -6.252 -13.514 1.00 10.00 C ATOM 699 CE3 TRP A 44 -2.819 -6.113 -11.787 1.00 10.00 C ATOM 700 CZ2 TRP A 44 -3.630 -6.979 -14.340 1.00 10.00 C ATOM 701 CZ3 TRP A 44 -1.928 -6.830 -12.608 1.00 10.00 C ATOM 702 CH2 TRP A 44 -2.332 -7.269 -13.881 1.00 10.00 C ATOM 0 H TRP A 44 -5.771 -3.300 -8.124 1.00 10.00 H new ATOM 0 HA TRP A 44 -7.480 -4.366 -10.138 1.00 10.00 H new ATOM 0 HB2 TRP A 44 -5.173 -3.388 -10.392 1.00 10.00 H new ATOM 0 HB3 TRP A 44 -4.531 -4.839 -9.648 1.00 10.00 H new ATOM 0 HD1 TRP A 44 -7.206 -4.655 -12.449 1.00 10.00 H new ATOM 0 HE1 TRP A 44 -6.363 -5.957 -14.503 1.00 10.00 H new ATOM 0 HE3 TRP A 44 -2.492 -5.788 -10.811 1.00 10.00 H new ATOM 0 HZ2 TRP A 44 -3.951 -7.311 -15.316 1.00 10.00 H new ATOM 0 HZ3 TRP A 44 -0.929 -7.044 -12.258 1.00 10.00 H new ATOM 0 HH2 TRP A 44 -1.649 -7.827 -14.504 1.00 10.00 H new