USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 299 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 LYS N :NH3+ -105:sc= 0.0141 (180deg=-0.0873) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 23 GLN : amide:sc= 0.106 X(o=0.11,f=-0.0067) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -28.917 -4.441 -4.331 1.00 0.00 N ATOM 2 CA LYS A 1 -28.573 -3.011 -4.040 1.00 0.00 C ATOM 3 C LYS A 1 -27.085 -2.750 -4.313 1.00 0.00 C ATOM 4 O LYS A 1 -26.245 -3.594 -4.055 1.00 0.00 O ATOM 5 CB LYS A 1 -28.885 -2.791 -2.554 1.00 0.00 C ATOM 6 CG LYS A 1 -30.386 -2.564 -2.352 1.00 0.00 C ATOM 7 CD LYS A 1 -30.737 -2.771 -0.876 1.00 0.00 C ATOM 8 CE LYS A 1 -32.237 -2.537 -0.658 1.00 0.00 C ATOM 9 NZ LYS A 1 -32.533 -3.077 0.701 1.00 0.00 N ATOM 0 H1 LYS A 1 -29.442 -4.496 -5.227 1.00 0.00 H new ATOM 0 H2 LYS A 1 -28.043 -5.000 -4.407 1.00 0.00 H new ATOM 0 H3 LYS A 1 -29.505 -4.820 -3.561 1.00 0.00 H new ATOM 0 HA LYS A 1 -29.143 -2.331 -4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -28.560 -3.656 -1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -28.327 -1.931 -2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -30.658 -1.556 -2.664 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -30.956 -3.254 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -30.469 -3.782 -0.568 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -30.159 -2.085 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -32.482 -1.477 -0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -32.828 -3.046 -1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -33.543 -2.949 0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -32.299 -4.090 0.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -31.964 -2.569 1.408 1.00 0.00 H new ATOM 22 N LEU A 2 -26.759 -1.589 -4.831 1.00 0.00 N ATOM 23 CA LEU A 2 -25.329 -1.256 -5.125 1.00 0.00 C ATOM 24 C LEU A 2 -24.846 -0.145 -4.185 1.00 0.00 C ATOM 25 O LEU A 2 -25.328 0.974 -4.237 1.00 0.00 O ATOM 26 CB LEU A 2 -25.304 -0.788 -6.585 1.00 0.00 C ATOM 27 CG LEU A 2 -24.471 -1.761 -7.424 1.00 0.00 C ATOM 28 CD1 LEU A 2 -25.385 -2.813 -8.057 1.00 0.00 C ATOM 29 CD2 LEU A 2 -23.743 -0.990 -8.529 1.00 0.00 C ATOM 0 H LEU A 2 -27.427 -0.854 -5.064 1.00 0.00 H new ATOM 0 HA LEU A 2 -24.669 -2.110 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -26.320 -0.732 -6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -24.882 0.215 -6.648 1.00 0.00 H new ATOM 0 HG LEU A 2 -23.742 -2.255 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -24.788 -3.503 -8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -25.902 -3.365 -7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -26.117 -2.321 -8.697 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -23.150 -1.683 -9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -24.473 -0.493 -9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -23.087 -0.244 -8.081 1.00 0.00 H new ATOM 41 N PHE A 3 -23.899 -0.456 -3.328 1.00 0.00 N ATOM 42 CA PHE A 3 -23.357 0.556 -2.363 1.00 0.00 C ATOM 43 C PHE A 3 -22.002 0.096 -1.796 1.00 0.00 C ATOM 44 O PHE A 3 -21.825 -1.067 -1.476 1.00 0.00 O ATOM 45 CB PHE A 3 -24.411 0.700 -1.244 1.00 0.00 C ATOM 46 CG PHE A 3 -24.753 -0.637 -0.608 1.00 0.00 C ATOM 47 CD1 PHE A 3 -25.738 -1.455 -1.178 1.00 0.00 C ATOM 48 CD2 PHE A 3 -24.087 -1.056 0.551 1.00 0.00 C ATOM 49 CE1 PHE A 3 -26.056 -2.686 -0.591 1.00 0.00 C ATOM 50 CE2 PHE A 3 -24.405 -2.286 1.137 1.00 0.00 C ATOM 51 CZ PHE A 3 -25.389 -3.102 0.567 1.00 0.00 C ATOM 0 H PHE A 3 -23.474 -1.380 -3.256 1.00 0.00 H new ATOM 0 HA PHE A 3 -23.179 1.514 -2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -24.037 1.380 -0.479 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -25.316 1.148 -1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -26.253 -1.135 -2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -23.327 -0.429 0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -26.816 -3.314 -1.032 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -23.890 -2.606 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 3 -25.633 -4.051 1.020 1.00 0.00 H new ATOM 61 N LEU A 4 -21.054 1.008 -1.673 1.00 0.00 N ATOM 62 CA LEU A 4 -19.687 0.680 -1.129 1.00 0.00 C ATOM 63 C LEU A 4 -19.021 -0.452 -1.947 1.00 0.00 C ATOM 64 O LEU A 4 -19.346 -0.641 -3.104 1.00 0.00 O ATOM 65 CB LEU A 4 -19.905 0.282 0.350 1.00 0.00 C ATOM 66 CG LEU A 4 -20.227 1.500 1.242 1.00 0.00 C ATOM 67 CD1 LEU A 4 -19.232 2.641 1.004 1.00 0.00 C ATOM 68 CD2 LEU A 4 -21.650 2.001 0.970 1.00 0.00 C ATOM 0 H LEU A 4 -21.175 1.987 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 4 -19.007 1.529 -1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.721 -0.438 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -19.011 -0.215 0.726 1.00 0.00 H new ATOM 0 HG LEU A 4 -20.147 1.178 2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -19.485 3.484 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -18.223 2.298 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -19.279 2.953 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -21.861 2.860 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -21.739 2.294 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -22.363 1.205 1.185 1.00 0.00 H new ATOM 80 N ALA A 5 -18.094 -1.194 -1.363 1.00 0.00 N ATOM 81 CA ALA A 5 -17.386 -2.316 -2.081 1.00 0.00 C ATOM 82 C ALA A 5 -16.520 -1.811 -3.253 1.00 0.00 C ATOM 83 O ALA A 5 -16.084 -2.593 -4.078 1.00 0.00 O ATOM 84 CB ALA A 5 -18.484 -3.264 -2.583 1.00 0.00 C ATOM 0 H ALA A 5 -17.794 -1.064 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 5 -16.695 -2.819 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -18.028 -4.100 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -19.055 -3.641 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -19.149 -2.725 -3.258 1.00 0.00 H new ATOM 90 N ARG A 6 -16.257 -0.525 -3.331 1.00 0.00 N ATOM 91 CA ARG A 6 -15.416 0.025 -4.439 1.00 0.00 C ATOM 92 C ARG A 6 -14.217 0.764 -3.836 1.00 0.00 C ATOM 93 O ARG A 6 -13.078 0.410 -4.081 1.00 0.00 O ATOM 94 CB ARG A 6 -16.341 0.981 -5.203 1.00 0.00 C ATOM 95 CG ARG A 6 -15.972 0.991 -6.689 1.00 0.00 C ATOM 96 CD ARG A 6 -16.613 2.205 -7.375 1.00 0.00 C ATOM 97 NE ARG A 6 -18.088 1.955 -7.367 1.00 0.00 N ATOM 98 CZ ARG A 6 -18.900 2.814 -7.927 1.00 0.00 C ATOM 99 NH1 ARG A 6 -19.193 3.933 -7.311 1.00 0.00 N ATOM 100 NH2 ARG A 6 -19.414 2.549 -9.102 1.00 0.00 N ATOM 0 H ARG A 6 -16.594 0.171 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 6 -15.018 -0.743 -5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -17.379 0.672 -5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -16.257 1.987 -4.792 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.889 1.027 -6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -16.313 0.071 -7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.371 3.126 -6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.242 2.318 -8.394 1.00 0.00 H new ATOM 0 HE ARG A 6 -18.460 1.115 -6.925 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -18.788 4.133 -6.396 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -19.826 4.604 -7.746 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -19.181 1.676 -9.576 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.048 3.215 -9.543 1.00 0.00 H new ATOM 114 N LEU A 7 -14.479 1.780 -3.042 1.00 0.00 N ATOM 115 CA LEU A 7 -13.377 2.563 -2.394 1.00 0.00 C ATOM 116 C LEU A 7 -12.585 1.667 -1.428 1.00 0.00 C ATOM 117 O LEU A 7 -11.399 1.867 -1.239 1.00 0.00 O ATOM 118 CB LEU A 7 -14.067 3.702 -1.632 1.00 0.00 C ATOM 119 CG LEU A 7 -14.111 4.964 -2.502 1.00 0.00 C ATOM 120 CD1 LEU A 7 -15.255 4.866 -3.515 1.00 0.00 C ATOM 121 CD2 LEU A 7 -14.332 6.191 -1.610 1.00 0.00 C ATOM 0 H LEU A 7 -15.420 2.102 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.668 2.947 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.079 3.405 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.531 3.908 -0.705 1.00 0.00 H new ATOM 0 HG LEU A 7 -13.166 5.059 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -15.277 5.767 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.101 3.997 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -16.202 4.764 -2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -14.363 7.089 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -15.275 6.086 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.515 6.272 -0.893 1.00 0.00 H new ATOM 133 N ILE A 8 -13.226 0.684 -0.828 1.00 0.00 N ATOM 134 CA ILE A 8 -12.513 -0.235 0.121 1.00 0.00 C ATOM 135 C ILE A 8 -11.421 -0.997 -0.643 1.00 0.00 C ATOM 136 O ILE A 8 -10.304 -1.105 -0.178 1.00 0.00 O ATOM 137 CB ILE A 8 -13.575 -1.204 0.673 1.00 0.00 C ATOM 138 CG1 ILE A 8 -14.647 -0.427 1.452 1.00 0.00 C ATOM 139 CG2 ILE A 8 -12.921 -2.220 1.620 1.00 0.00 C ATOM 140 CD1 ILE A 8 -15.920 -1.272 1.557 1.00 0.00 C ATOM 0 H ILE A 8 -14.217 0.480 -0.957 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.034 0.308 0.936 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.034 -1.724 -0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.279 -0.180 2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.865 0.515 0.949 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.681 -2.900 2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.166 -2.789 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.452 -1.693 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -16.679 -0.719 2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -16.291 -1.497 0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -15.697 -2.203 2.079 1.00 0.00 H new ATOM 152 N TRP A 9 -11.740 -1.514 -1.811 1.00 0.00 N ATOM 153 CA TRP A 9 -10.728 -2.266 -2.617 1.00 0.00 C ATOM 154 C TRP A 9 -9.621 -1.317 -3.102 1.00 0.00 C ATOM 155 O TRP A 9 -8.457 -1.671 -3.061 1.00 0.00 O ATOM 156 CB TRP A 9 -11.496 -2.879 -3.796 1.00 0.00 C ATOM 157 CG TRP A 9 -10.587 -3.766 -4.595 1.00 0.00 C ATOM 158 CD1 TRP A 9 -10.528 -3.793 -5.946 1.00 0.00 C ATOM 159 CD2 TRP A 9 -9.612 -4.747 -4.125 1.00 0.00 C ATOM 160 NE1 TRP A 9 -9.583 -4.723 -6.337 1.00 0.00 N ATOM 161 CE2 TRP A 9 -8.991 -5.338 -5.252 1.00 0.00 C ATOM 162 CE3 TRP A 9 -9.209 -5.177 -2.848 1.00 0.00 C ATOM 163 CZ2 TRP A 9 -8.007 -6.320 -5.114 1.00 0.00 C ATOM 164 CZ3 TRP A 9 -8.222 -6.162 -2.705 1.00 0.00 C ATOM 165 CH2 TRP A 9 -7.622 -6.732 -3.835 1.00 0.00 C ATOM 0 H TRP A 9 -12.663 -1.445 -2.239 1.00 0.00 H new ATOM 0 HA TRP A 9 -10.237 -3.042 -2.030 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -12.346 -3.453 -3.428 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -11.896 -2.088 -4.431 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -11.123 -3.186 -6.612 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.351 -4.930 -7.309 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -9.664 -4.744 -1.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -7.548 -6.757 -5.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -7.923 -6.483 -1.718 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -6.862 -7.490 -3.718 1.00 0.00 H new ATOM 176 N TRP A 10 -9.966 -0.126 -3.551 1.00 0.00 N ATOM 177 CA TRP A 10 -8.918 0.834 -4.028 1.00 0.00 C ATOM 178 C TRP A 10 -7.995 1.201 -2.856 1.00 0.00 C ATOM 179 O TRP A 10 -6.786 1.145 -2.982 1.00 0.00 O ATOM 180 CB TRP A 10 -9.668 2.071 -4.552 1.00 0.00 C ATOM 181 CG TRP A 10 -8.696 3.155 -4.933 1.00 0.00 C ATOM 182 CD1 TRP A 10 -8.899 4.479 -4.735 1.00 0.00 C ATOM 183 CD2 TRP A 10 -7.383 3.038 -5.566 1.00 0.00 C ATOM 184 NE1 TRP A 10 -7.801 5.177 -5.205 1.00 0.00 N ATOM 185 CE2 TRP A 10 -6.841 4.336 -5.726 1.00 0.00 C ATOM 186 CE3 TRP A 10 -6.621 1.946 -6.012 1.00 0.00 C ATOM 187 CZ2 TRP A 10 -5.587 4.540 -6.307 1.00 0.00 C ATOM 188 CZ3 TRP A 10 -5.361 2.146 -6.596 1.00 0.00 C ATOM 189 CH2 TRP A 10 -4.845 3.439 -6.744 1.00 0.00 C ATOM 0 H TRP A 10 -10.925 0.218 -3.606 1.00 0.00 H new ATOM 0 HA TRP A 10 -8.296 0.407 -4.814 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -10.274 1.797 -5.416 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -10.352 2.440 -3.787 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -9.776 4.919 -4.283 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -7.712 6.193 -5.170 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -7.008 0.944 -5.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -5.194 5.540 -6.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -4.785 1.297 -6.934 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -3.875 3.586 -7.195 1.00 0.00 H new ATOM 200 N LEU A 11 -8.561 1.565 -1.727 1.00 0.00 N ATOM 201 CA LEU A 11 -7.722 1.931 -0.541 1.00 0.00 C ATOM 202 C LEU A 11 -6.922 0.709 -0.070 1.00 0.00 C ATOM 203 O LEU A 11 -5.766 0.840 0.288 1.00 0.00 O ATOM 204 CB LEU A 11 -8.698 2.414 0.540 1.00 0.00 C ATOM 205 CG LEU A 11 -9.204 3.820 0.189 1.00 0.00 C ATOM 206 CD1 LEU A 11 -10.313 4.226 1.161 1.00 0.00 C ATOM 207 CD2 LEU A 11 -8.052 4.828 0.283 1.00 0.00 C ATOM 0 H LEU A 11 -9.568 1.624 -1.577 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.997 2.710 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.538 1.724 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.203 2.427 1.511 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.595 3.813 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.670 5.225 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.138 3.517 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.923 4.226 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.418 5.824 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.654 4.832 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.264 4.545 -0.415 1.00 0.00 H new ATOM 219 N GLN A 12 -7.515 -0.470 -0.085 1.00 0.00 N ATOM 220 CA GLN A 12 -6.774 -1.702 0.347 1.00 0.00 C ATOM 221 C GLN A 12 -5.612 -1.948 -0.627 1.00 0.00 C ATOM 222 O GLN A 12 -4.504 -2.229 -0.213 1.00 0.00 O ATOM 223 CB GLN A 12 -7.789 -2.852 0.297 1.00 0.00 C ATOM 224 CG GLN A 12 -7.411 -3.940 1.310 1.00 0.00 C ATOM 225 CD GLN A 12 -8.520 -4.082 2.362 1.00 0.00 C ATOM 226 OE1 GLN A 12 -9.655 -4.355 2.031 1.00 0.00 O ATOM 227 NE2 GLN A 12 -8.241 -3.905 3.625 1.00 0.00 N ATOM 0 H GLN A 12 -8.479 -0.628 -0.378 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.356 -1.609 1.349 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.788 -2.474 0.515 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.820 -3.275 -0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -7.260 -4.890 0.797 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.468 -3.686 1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -7.289 -3.675 3.910 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.975 -3.996 4.327 1.00 0.00 H new ATOM 236 N TYR A 13 -5.857 -1.826 -1.914 1.00 0.00 N ATOM 237 CA TYR A 13 -4.760 -2.035 -2.912 1.00 0.00 C ATOM 238 C TYR A 13 -3.698 -0.943 -2.723 1.00 0.00 C ATOM 239 O TYR A 13 -2.517 -1.197 -2.871 1.00 0.00 O ATOM 240 CB TYR A 13 -5.402 -1.945 -4.302 1.00 0.00 C ATOM 241 CG TYR A 13 -4.879 -3.074 -5.157 1.00 0.00 C ATOM 242 CD1 TYR A 13 -5.340 -4.378 -4.946 1.00 0.00 C ATOM 243 CD2 TYR A 13 -3.931 -2.820 -6.156 1.00 0.00 C ATOM 244 CE1 TYR A 13 -4.857 -5.427 -5.732 1.00 0.00 C ATOM 245 CE2 TYR A 13 -3.447 -3.870 -6.943 1.00 0.00 C ATOM 246 CZ TYR A 13 -3.911 -5.174 -6.730 1.00 0.00 C ATOM 247 OH TYR A 13 -3.435 -6.210 -7.504 1.00 0.00 O ATOM 0 H TYR A 13 -6.766 -1.592 -2.313 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.272 -3.002 -2.788 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.487 -2.006 -4.220 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -5.170 -0.985 -4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.070 -4.574 -4.175 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.574 -1.814 -6.319 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.214 -6.433 -5.569 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.716 -3.675 -7.714 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.785 -5.863 -8.151 1.00 0.00 H new ATOM 257 N PHE A 14 -4.114 0.262 -2.386 1.00 0.00 N ATOM 258 CA PHE A 14 -3.141 1.378 -2.169 1.00 0.00 C ATOM 259 C PHE A 14 -2.216 1.030 -0.992 1.00 0.00 C ATOM 260 O PHE A 14 -1.027 1.282 -1.052 1.00 0.00 O ATOM 261 CB PHE A 14 -3.985 2.619 -1.852 1.00 0.00 C ATOM 262 CG PHE A 14 -3.220 3.863 -2.234 1.00 0.00 C ATOM 263 CD1 PHE A 14 -2.345 4.457 -1.317 1.00 0.00 C ATOM 264 CD2 PHE A 14 -3.385 4.422 -3.507 1.00 0.00 C ATOM 265 CE1 PHE A 14 -1.636 5.609 -1.674 1.00 0.00 C ATOM 266 CE2 PHE A 14 -2.676 5.574 -3.864 1.00 0.00 C ATOM 267 CZ PHE A 14 -1.801 6.167 -2.946 1.00 0.00 C ATOM 0 H PHE A 14 -5.093 0.516 -2.252 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.510 1.550 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.928 2.578 -2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.231 2.643 -0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.217 4.026 -0.335 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.060 3.963 -4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.961 6.068 -0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.803 6.005 -4.846 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.253 7.056 -3.220 1.00 0.00 H new ATOM 277 N ILE A 15 -2.750 0.444 0.064 1.00 0.00 N ATOM 278 CA ILE A 15 -1.895 0.067 1.236 1.00 0.00 C ATOM 279 C ILE A 15 -0.890 -1.020 0.802 1.00 0.00 C ATOM 280 O ILE A 15 0.232 -1.046 1.273 1.00 0.00 O ATOM 281 CB ILE A 15 -2.864 -0.391 2.354 1.00 0.00 C ATOM 282 CG1 ILE A 15 -2.328 0.101 3.706 1.00 0.00 C ATOM 283 CG2 ILE A 15 -3.022 -1.919 2.405 1.00 0.00 C ATOM 284 CD1 ILE A 15 -3.473 0.216 4.716 1.00 0.00 C ATOM 0 H ILE A 15 -3.739 0.213 0.160 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.293 0.894 1.613 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.844 0.034 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.572 -0.590 4.079 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.843 1.069 3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.711 -2.187 3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.415 -2.276 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.052 -2.379 2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.082 0.566 5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.214 0.924 4.346 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.939 -0.760 4.850 1.00 0.00 H new ATOM 296 N THR A 16 -1.279 -1.896 -0.106 1.00 0.00 N ATOM 297 CA THR A 16 -0.346 -2.967 -0.592 1.00 0.00 C ATOM 298 C THR A 16 0.803 -2.295 -1.361 1.00 0.00 C ATOM 299 O THR A 16 1.958 -2.648 -1.202 1.00 0.00 O ATOM 300 CB THR A 16 -1.173 -3.866 -1.528 1.00 0.00 C ATOM 301 OG1 THR A 16 -2.353 -4.304 -0.863 1.00 0.00 O ATOM 302 CG2 THR A 16 -0.353 -5.089 -1.944 1.00 0.00 C ATOM 0 H THR A 16 -2.206 -1.912 -0.530 1.00 0.00 H new ATOM 0 HA THR A 16 0.080 -3.554 0.221 1.00 0.00 H new ATOM 0 HB THR A 16 -1.442 -3.290 -2.413 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.875 -4.874 -1.465 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.948 -5.718 -2.606 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.547 -4.763 -2.465 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.073 -5.658 -1.057 1.00 0.00 H new ATOM 310 N ARG A 17 0.482 -1.318 -2.183 1.00 0.00 N ATOM 311 CA ARG A 17 1.529 -0.591 -2.970 1.00 0.00 C ATOM 312 C ARG A 17 2.365 0.286 -2.024 1.00 0.00 C ATOM 313 O ARG A 17 3.570 0.387 -2.175 1.00 0.00 O ATOM 314 CB ARG A 17 0.758 0.268 -3.977 1.00 0.00 C ATOM 315 CG ARG A 17 1.611 0.488 -5.226 1.00 0.00 C ATOM 316 CD ARG A 17 0.778 1.196 -6.299 1.00 0.00 C ATOM 317 NE ARG A 17 1.595 1.103 -7.543 1.00 0.00 N ATOM 318 CZ ARG A 17 2.376 2.092 -7.892 1.00 0.00 C ATOM 319 NH1 ARG A 17 3.585 2.169 -7.398 1.00 0.00 N ATOM 320 NH2 ARG A 17 1.942 2.998 -8.731 1.00 0.00 N ATOM 0 H ARG A 17 -0.472 -0.992 -2.342 1.00 0.00 H new ATOM 0 HA ARG A 17 2.218 -1.267 -3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.178 -0.222 -4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.499 1.227 -3.528 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.488 1.086 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.973 -0.468 -5.604 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.192 0.716 -6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.586 2.234 -6.029 1.00 0.00 H new ATOM 0 HE ARG A 17 1.544 0.266 -8.123 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.915 1.459 -6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.198 2.939 -7.667 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.997 2.931 -9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.548 3.771 -9.006 1.00 0.00 H new ATOM 334 N ALA A 18 1.723 0.910 -1.054 1.00 0.00 N ATOM 335 CA ALA A 18 2.448 1.784 -0.074 1.00 0.00 C ATOM 336 C ALA A 18 3.520 0.970 0.668 1.00 0.00 C ATOM 337 O ALA A 18 4.576 1.487 0.984 1.00 0.00 O ATOM 338 CB ALA A 18 1.379 2.286 0.902 1.00 0.00 C ATOM 0 H ALA A 18 0.716 0.847 -0.902 1.00 0.00 H new ATOM 0 HA ALA A 18 2.958 2.612 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.842 2.933 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.622 2.847 0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.912 1.436 1.399 1.00 0.00 H new ATOM 344 N GLU A 19 3.266 -0.293 0.937 1.00 0.00 N ATOM 345 CA GLU A 19 4.282 -1.133 1.645 1.00 0.00 C ATOM 346 C GLU A 19 5.394 -1.523 0.663 1.00 0.00 C ATOM 347 O GLU A 19 6.558 -1.509 1.015 1.00 0.00 O ATOM 348 CB GLU A 19 3.535 -2.370 2.156 1.00 0.00 C ATOM 349 CG GLU A 19 4.002 -2.683 3.582 1.00 0.00 C ATOM 350 CD GLU A 19 2.910 -3.451 4.331 1.00 0.00 C ATOM 351 OE1 GLU A 19 2.687 -4.604 4.002 1.00 0.00 O ATOM 352 OE2 GLU A 19 2.319 -2.872 5.227 1.00 0.00 O ATOM 0 H GLU A 19 2.400 -0.774 0.696 1.00 0.00 H new ATOM 0 HA GLU A 19 4.751 -0.602 2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.460 -2.192 2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.725 -3.221 1.502 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.918 -3.272 3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.235 -1.758 4.109 1.00 0.00 H new ATOM 359 N ALA A 20 5.043 -1.860 -0.563 1.00 0.00 N ATOM 360 CA ALA A 20 6.076 -2.244 -1.587 1.00 0.00 C ATOM 361 C ALA A 20 7.095 -1.111 -1.773 1.00 0.00 C ATOM 362 O ALA A 20 8.249 -1.378 -2.049 1.00 0.00 O ATOM 363 CB ALA A 20 5.308 -2.503 -2.886 1.00 0.00 C ATOM 0 H ALA A 20 4.080 -1.885 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 20 6.637 -3.126 -1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.008 -2.787 -3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.590 -3.309 -2.730 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.778 -1.598 -3.182 1.00 0.00 H new ATOM 369 N HIS A 21 6.689 0.137 -1.607 1.00 0.00 N ATOM 370 CA HIS A 21 7.656 1.279 -1.756 1.00 0.00 C ATOM 371 C HIS A 21 8.808 1.067 -0.759 1.00 0.00 C ATOM 372 O HIS A 21 9.960 1.319 -1.061 1.00 0.00 O ATOM 373 CB HIS A 21 6.873 2.557 -1.423 1.00 0.00 C ATOM 374 CG HIS A 21 6.295 3.158 -2.679 1.00 0.00 C ATOM 375 ND1 HIS A 21 6.541 4.473 -3.055 1.00 0.00 N ATOM 376 CD2 HIS A 21 5.481 2.637 -3.656 1.00 0.00 C ATOM 377 CE1 HIS A 21 5.885 4.692 -4.209 1.00 0.00 C ATOM 378 NE2 HIS A 21 5.223 3.608 -4.620 1.00 0.00 N ATOM 0 H HIS A 21 5.733 0.409 -1.376 1.00 0.00 H new ATOM 0 HA HIS A 21 8.077 1.346 -2.759 1.00 0.00 H new ATOM 0 HB2 HIS A 21 6.073 2.328 -0.719 1.00 0.00 H new ATOM 0 HB3 HIS A 21 7.530 3.278 -0.936 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.099 1.627 -3.673 1.00 0.00 H new ATOM 0 HE1 HIS A 21 5.893 5.633 -4.740 1.00 0.00 H new ATOM 0 HE2 HIS A 21 4.651 3.512 -5.459 1.00 0.00 H new ATOM 386 N LEU A 22 8.487 0.574 0.421 1.00 0.00 N ATOM 387 CA LEU A 22 9.522 0.297 1.465 1.00 0.00 C ATOM 388 C LEU A 22 9.895 -1.202 1.406 1.00 0.00 C ATOM 389 O LEU A 22 10.236 -1.803 2.411 1.00 0.00 O ATOM 390 CB LEU A 22 8.828 0.644 2.791 1.00 0.00 C ATOM 391 CG LEU A 22 9.855 0.762 3.922 1.00 0.00 C ATOM 392 CD1 LEU A 22 10.277 2.223 4.085 1.00 0.00 C ATOM 393 CD2 LEU A 22 9.225 0.265 5.227 1.00 0.00 C ATOM 0 H LEU A 22 7.533 0.350 0.704 1.00 0.00 H new ATOM 0 HA LEU A 22 10.442 0.867 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.283 1.582 2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.095 -0.125 3.036 1.00 0.00 H new ATOM 0 HG LEU A 22 10.731 0.160 3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.007 2.303 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.721 2.579 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.404 2.829 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.951 0.346 6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.350 0.871 5.463 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.925 -0.777 5.113 1.00 0.00 H new ATOM 405 N GLN A 23 9.822 -1.801 0.227 1.00 0.00 N ATOM 406 CA GLN A 23 10.145 -3.251 0.032 1.00 0.00 C ATOM 407 C GLN A 23 9.322 -4.122 0.994 1.00 0.00 C ATOM 408 O GLN A 23 9.852 -5.031 1.606 1.00 0.00 O ATOM 409 CB GLN A 23 11.644 -3.395 0.303 1.00 0.00 C ATOM 410 CG GLN A 23 12.463 -2.738 -0.815 1.00 0.00 C ATOM 411 CD GLN A 23 13.401 -3.768 -1.457 1.00 0.00 C ATOM 412 OE1 GLN A 23 13.431 -3.905 -2.663 1.00 0.00 O ATOM 413 NE2 GLN A 23 14.177 -4.504 -0.707 1.00 0.00 N ATOM 0 H GLN A 23 9.542 -1.322 -0.629 1.00 0.00 H new ATOM 0 HA GLN A 23 9.898 -3.583 -0.977 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.891 -2.935 1.260 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.905 -4.451 0.379 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.795 -2.323 -1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.043 -1.908 -0.412 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.158 -4.396 0.307 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.802 -5.187 -1.135 1.00 0.00 H new ATOM 422 N VAL A 24 8.039 -3.834 1.120 1.00 0.00 N ATOM 423 CA VAL A 24 7.108 -4.593 2.029 1.00 0.00 C ATOM 424 C VAL A 24 7.787 -4.996 3.352 1.00 0.00 C ATOM 425 O VAL A 24 7.860 -6.160 3.702 1.00 0.00 O ATOM 426 CB VAL A 24 6.582 -5.806 1.232 1.00 0.00 C ATOM 427 CG1 VAL A 24 5.658 -5.320 0.111 1.00 0.00 C ATOM 428 CG2 VAL A 24 7.723 -6.625 0.609 1.00 0.00 C ATOM 0 H VAL A 24 7.585 -3.076 0.610 1.00 0.00 H new ATOM 0 HA VAL A 24 6.273 -3.961 2.332 1.00 0.00 H new ATOM 0 HB VAL A 24 6.042 -6.446 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.287 -6.177 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.817 -4.777 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.212 -4.660 -0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.307 -7.468 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.295 -5.994 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.378 -6.995 1.398 1.00 0.00 H new ATOM 438 N TRP A 25 8.281 -4.010 4.076 1.00 0.00 N ATOM 439 CA TRP A 25 8.977 -4.225 5.395 1.00 0.00 C ATOM 440 C TRP A 25 10.235 -5.108 5.265 1.00 0.00 C ATOM 441 O TRP A 25 10.649 -5.744 6.219 1.00 0.00 O ATOM 442 CB TRP A 25 7.939 -4.857 6.334 1.00 0.00 C ATOM 443 CG TRP A 25 6.904 -3.836 6.694 1.00 0.00 C ATOM 444 CD1 TRP A 25 5.632 -3.826 6.233 1.00 0.00 C ATOM 445 CD2 TRP A 25 7.030 -2.680 7.573 1.00 0.00 C ATOM 446 NE1 TRP A 25 4.970 -2.740 6.771 1.00 0.00 N ATOM 447 CE2 TRP A 25 5.787 -2.002 7.604 1.00 0.00 C ATOM 448 CE3 TRP A 25 8.090 -2.159 8.339 1.00 0.00 C ATOM 449 CZ2 TRP A 25 5.604 -0.848 8.369 1.00 0.00 C ATOM 450 CZ3 TRP A 25 7.908 -1.000 9.107 1.00 0.00 C ATOM 451 CH2 TRP A 25 6.668 -0.345 9.123 1.00 0.00 C ATOM 0 H TRP A 25 8.228 -3.031 3.796 1.00 0.00 H new ATOM 0 HA TRP A 25 9.341 -3.276 5.788 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.468 -5.713 5.850 1.00 0.00 H new ATOM 0 HB3 TRP A 25 8.427 -5.229 7.235 1.00 0.00 H new ATOM 0 HD1 TRP A 25 5.204 -4.549 5.555 1.00 0.00 H new ATOM 0 HE1 TRP A 25 3.995 -2.511 6.576 1.00 0.00 H new ATOM 0 HE3 TRP A 25 9.049 -2.655 8.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.647 -0.348 8.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.729 -0.609 9.690 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.535 0.547 9.717 1.00 0.00 H new ATOM 462 N ILE A 26 10.852 -5.141 4.103 1.00 0.00 N ATOM 463 CA ILE A 26 12.086 -5.963 3.895 1.00 0.00 C ATOM 464 C ILE A 26 13.098 -5.119 3.092 1.00 0.00 C ATOM 465 O ILE A 26 13.285 -5.321 1.906 1.00 0.00 O ATOM 466 CB ILE A 26 11.649 -7.213 3.114 1.00 0.00 C ATOM 467 CG1 ILE A 26 10.614 -8.017 3.916 1.00 0.00 C ATOM 468 CG2 ILE A 26 12.863 -8.110 2.833 1.00 0.00 C ATOM 469 CD1 ILE A 26 9.856 -8.968 2.985 1.00 0.00 C ATOM 0 H ILE A 26 10.545 -4.624 3.279 1.00 0.00 H new ATOM 0 HA ILE A 26 12.562 -6.260 4.830 1.00 0.00 H new ATOM 0 HB ILE A 26 11.204 -6.886 2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 26 11.112 -8.584 4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.915 -7.339 4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 26 12.543 -8.993 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.595 -7.558 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 26 13.314 -8.417 3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.124 -9.534 3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.344 -8.392 2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 26 10.560 -9.656 2.516 1.00 0.00 H new ATOM 481 N PRO A 27 13.715 -4.186 3.779 1.00 0.00 N ATOM 482 CA PRO A 27 14.722 -3.277 3.152 1.00 0.00 C ATOM 483 C PRO A 27 15.975 -4.052 2.701 1.00 0.00 C ATOM 484 O PRO A 27 16.321 -5.055 3.298 1.00 0.00 O ATOM 485 CB PRO A 27 15.051 -2.290 4.273 1.00 0.00 C ATOM 486 CG PRO A 27 14.731 -3.032 5.529 1.00 0.00 C ATOM 487 CD PRO A 27 13.541 -3.887 5.204 1.00 0.00 C ATOM 0 HA PRO A 27 14.351 -2.789 2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 27 16.099 -1.991 4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.458 -1.380 4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 27 15.576 -3.642 5.849 1.00 0.00 H new ATOM 0 HG3 PRO A 27 14.508 -2.344 6.344 1.00 0.00 H new ATOM 0 HD2 PRO A 27 13.523 -4.796 5.806 1.00 0.00 H new ATOM 0 HD3 PRO A 27 12.605 -3.361 5.393 1.00 0.00 H new ATOM 495 N PRO A 28 16.615 -3.559 1.660 1.00 0.00 N ATOM 496 CA PRO A 28 17.846 -4.217 1.128 1.00 0.00 C ATOM 497 C PRO A 28 19.062 -4.002 2.052 1.00 0.00 C ATOM 498 O PRO A 28 19.881 -4.890 2.195 1.00 0.00 O ATOM 499 CB PRO A 28 18.052 -3.548 -0.230 1.00 0.00 C ATOM 500 CG PRO A 28 17.380 -2.218 -0.121 1.00 0.00 C ATOM 501 CD PRO A 28 16.267 -2.357 0.882 1.00 0.00 C ATOM 0 HA PRO A 28 17.741 -5.300 1.057 1.00 0.00 H new ATOM 0 HB2 PRO A 28 19.112 -3.435 -0.456 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.617 -4.144 -1.032 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.090 -1.454 0.197 1.00 0.00 H new ATOM 0 HG3 PRO A 28 16.988 -1.906 -1.089 1.00 0.00 H new ATOM 0 HD2 PRO A 28 16.198 -1.477 1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 28 15.301 -2.470 0.389 1.00 0.00 H new ATOM 509 N LEU A 29 19.177 -2.840 2.671 1.00 0.00 N ATOM 510 CA LEU A 29 20.328 -2.537 3.590 1.00 0.00 C ATOM 511 C LEU A 29 21.671 -2.807 2.887 1.00 0.00 C ATOM 512 O LEU A 29 22.550 -3.462 3.422 1.00 0.00 O ATOM 513 CB LEU A 29 20.130 -3.441 4.819 1.00 0.00 C ATOM 514 CG LEU A 29 20.618 -2.718 6.081 1.00 0.00 C ATOM 515 CD1 LEU A 29 19.675 -3.021 7.246 1.00 0.00 C ATOM 516 CD2 LEU A 29 22.030 -3.194 6.438 1.00 0.00 C ATOM 0 H LEU A 29 18.507 -2.077 2.574 1.00 0.00 H new ATOM 0 HA LEU A 29 20.352 -1.487 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 29 19.077 -3.703 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 29 20.679 -4.374 4.688 1.00 0.00 H new ATOM 0 HG LEU A 29 20.633 -1.645 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 29 20.025 -2.506 8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 29 18.670 -2.678 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.657 -4.095 7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.372 -2.678 7.335 1.00 0.00 H new ATOM 0 HD22 LEU A 29 22.016 -4.268 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 29 22.707 -2.975 5.613 1.00 0.00 H new ATOM 528 N ASN A 30 21.824 -2.298 1.684 1.00 0.00 N ATOM 529 CA ASN A 30 23.095 -2.506 0.917 1.00 0.00 C ATOM 530 C ASN A 30 24.278 -1.860 1.653 1.00 0.00 C ATOM 531 O ASN A 30 25.271 -2.515 1.904 1.00 0.00 O ATOM 532 CB ASN A 30 22.874 -1.841 -0.445 1.00 0.00 C ATOM 533 CG ASN A 30 23.864 -2.416 -1.459 1.00 0.00 C ATOM 534 OD1 ASN A 30 23.558 -3.373 -2.140 1.00 0.00 O ATOM 535 ND2 ASN A 30 25.045 -1.875 -1.589 1.00 0.00 N ATOM 0 H ASN A 30 21.118 -1.744 1.199 1.00 0.00 H new ATOM 0 HA ASN A 30 23.331 -3.565 0.809 1.00 0.00 H new ATOM 0 HB2 ASN A 30 21.852 -2.010 -0.783 1.00 0.00 H new ATOM 0 HB3 ASN A 30 23.008 -0.762 -0.361 1.00 0.00 H new ATOM 0 HD21 ASN A 30 25.709 -2.257 -2.262 1.00 0.00 H new ATOM 0 HD22 ASN A 30 25.303 -1.071 -1.017 1.00 0.00 H new ATOM 542 N VAL A 31 24.162 -0.591 1.993 1.00 0.00 N ATOM 543 CA VAL A 31 25.255 0.143 2.717 1.00 0.00 C ATOM 544 C VAL A 31 26.595 -0.027 1.976 1.00 0.00 C ATOM 545 O VAL A 31 27.472 -0.755 2.407 1.00 0.00 O ATOM 546 CB VAL A 31 25.298 -0.454 4.139 1.00 0.00 C ATOM 547 CG1 VAL A 31 26.281 0.339 5.008 1.00 0.00 C ATOM 548 CG2 VAL A 31 23.908 -0.385 4.785 1.00 0.00 C ATOM 0 H VAL A 31 23.338 -0.024 1.794 1.00 0.00 H new ATOM 0 HA VAL A 31 25.070 1.216 2.762 1.00 0.00 H new ATOM 0 HB VAL A 31 25.618 -1.493 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 31 26.306 -0.088 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.277 0.290 4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 31 25.960 1.379 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 31 23.951 -0.809 5.788 1.00 0.00 H new ATOM 0 HG22 VAL A 31 23.586 0.655 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 31 23.198 -0.951 4.182 1.00 0.00 H new ATOM 558 N ARG A 32 26.751 0.647 0.859 1.00 0.00 N ATOM 559 CA ARG A 32 28.025 0.537 0.073 1.00 0.00 C ATOM 560 C ARG A 32 29.147 1.362 0.724 1.00 0.00 C ATOM 561 O ARG A 32 28.903 2.195 1.580 1.00 0.00 O ATOM 562 CB ARG A 32 27.709 1.054 -1.343 1.00 0.00 C ATOM 563 CG ARG A 32 27.323 2.544 -1.330 1.00 0.00 C ATOM 564 CD ARG A 32 28.577 3.417 -1.467 1.00 0.00 C ATOM 565 NE ARG A 32 28.661 3.793 -2.910 1.00 0.00 N ATOM 566 CZ ARG A 32 29.724 3.485 -3.613 1.00 0.00 C ATOM 567 NH1 ARG A 32 30.918 3.725 -3.132 1.00 0.00 N ATOM 568 NH2 ARG A 32 29.587 2.940 -4.798 1.00 0.00 N ATOM 0 H ARG A 32 26.050 1.270 0.457 1.00 0.00 H new ATOM 0 HA ARG A 32 28.378 -0.494 0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 32 28.577 0.908 -1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 32 26.894 0.470 -1.770 1.00 0.00 H new ATOM 0 HG2 ARG A 32 26.633 2.756 -2.147 1.00 0.00 H new ATOM 0 HG3 ARG A 32 26.803 2.784 -0.403 1.00 0.00 H new ATOM 0 HD2 ARG A 32 28.506 4.303 -0.836 1.00 0.00 H new ATOM 0 HD3 ARG A 32 29.468 2.873 -1.153 1.00 0.00 H new ATOM 0 HE ARG A 32 27.888 4.292 -3.351 1.00 0.00 H new ATOM 0 HH11 ARG A 32 31.021 4.151 -2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 32 31.745 3.486 -3.678 1.00 0.00 H new ATOM 0 HH21 ARG A 32 28.655 2.757 -5.170 1.00 0.00 H new ATOM 0 HH22 ARG A 32 30.412 2.699 -5.347 1.00 0.00 H new ATOM 582 N GLY A 33 30.372 1.130 0.310 1.00 0.00 N ATOM 583 CA GLY A 33 31.532 1.884 0.873 1.00 0.00 C ATOM 584 C GLY A 33 31.965 2.951 -0.133 1.00 0.00 C ATOM 585 O GLY A 33 32.840 2.664 -0.932 1.00 0.00 O ATOM 586 OXT GLY A 33 31.409 4.036 -0.097 1.00 0.00 O ATOM 0 H GLY A 33 30.616 0.442 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 33 31.256 2.349 1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 33 32.358 1.204 1.081 1.00 0.00 H new TER 590 GLY A 33