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+ 152:sc= 0 (180deg=-0.0264) 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) 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= -0.059 X(o=-0.059,f=0) USER MOD Single : A 23 GLN : amide:sc= 0.0892 X(o=0.089,f=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -17.318 -7.249 -8.324 1.00 0.00 N ATOM 2 CA LYS A 1 -16.321 -6.191 -7.967 1.00 0.00 C ATOM 3 C LYS A 1 -16.847 -5.346 -6.799 1.00 0.00 C ATOM 4 O LYS A 1 -17.748 -4.543 -6.965 1.00 0.00 O ATOM 5 CB LYS A 1 -16.146 -5.336 -9.231 1.00 0.00 C ATOM 6 CG LYS A 1 -15.143 -6.001 -10.184 1.00 0.00 C ATOM 7 CD LYS A 1 -13.713 -5.657 -9.754 1.00 0.00 C ATOM 8 CE LYS A 1 -12.996 -6.917 -9.246 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.355 -7.535 -10.443 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.223 -7.490 -9.331 1.00 0.00 H new ATOM 0 H2 LYS A 1 -17.146 -8.097 -7.747 1.00 0.00 H new ATOM 0 H3 LYS A 1 -18.279 -6.896 -8.142 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.370 -6.617 -7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -17.107 -5.211 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.796 -4.340 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.284 -7.082 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -15.317 -5.662 -11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -13.165 -5.231 -10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -13.733 -4.900 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.251 -6.665 -8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -13.701 -7.606 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -11.850 -8.399 -10.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.086 -7.775 -11.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.681 -6.863 -10.862 1.00 0.00 H new ATOM 22 N LEU A 2 -16.293 -5.527 -5.622 1.00 0.00 N ATOM 23 CA LEU A 2 -16.747 -4.747 -4.427 1.00 0.00 C ATOM 24 C LEU A 2 -15.704 -3.675 -4.073 1.00 0.00 C ATOM 25 O LEU A 2 -15.001 -3.782 -3.085 1.00 0.00 O ATOM 26 CB LEU A 2 -16.893 -5.788 -3.307 1.00 0.00 C ATOM 27 CG LEU A 2 -17.975 -5.342 -2.316 1.00 0.00 C ATOM 28 CD1 LEU A 2 -18.981 -6.476 -2.105 1.00 0.00 C ATOM 29 CD2 LEU A 2 -17.323 -4.985 -0.977 1.00 0.00 C ATOM 0 H LEU A 2 -15.539 -6.188 -5.438 1.00 0.00 H new ATOM 0 HA LEU A 2 -17.684 -4.217 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -17.154 -6.757 -3.732 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -15.942 -5.913 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 2 -18.493 -4.470 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -19.748 -6.155 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -19.447 -6.731 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -18.466 -7.350 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -18.091 -4.668 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -16.804 -5.858 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -16.609 -4.175 -1.125 1.00 0.00 H new ATOM 41 N PHE A 3 -15.608 -2.638 -4.877 1.00 0.00 N ATOM 42 CA PHE A 3 -14.614 -1.544 -4.602 1.00 0.00 C ATOM 43 C PHE A 3 -15.104 -0.556 -3.524 1.00 0.00 C ATOM 44 O PHE A 3 -14.497 0.482 -3.326 1.00 0.00 O ATOM 45 CB PHE A 3 -14.400 -0.823 -5.940 1.00 0.00 C ATOM 46 CG PHE A 3 -13.296 -1.503 -6.721 1.00 0.00 C ATOM 47 CD1 PHE A 3 -12.019 -1.651 -6.157 1.00 0.00 C ATOM 48 CD2 PHE A 3 -13.549 -1.987 -8.011 1.00 0.00 C ATOM 49 CE1 PHE A 3 -11.002 -2.281 -6.882 1.00 0.00 C ATOM 50 CE2 PHE A 3 -12.530 -2.617 -8.736 1.00 0.00 C ATOM 51 CZ PHE A 3 -11.258 -2.765 -8.172 1.00 0.00 C ATOM 0 H PHE A 3 -16.176 -2.502 -5.713 1.00 0.00 H new ATOM 0 HA PHE A 3 -13.689 -1.966 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -15.324 -0.830 -6.518 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.142 0.221 -5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -11.822 -1.278 -5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -14.531 -1.874 -8.447 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.020 -2.394 -6.448 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.726 -2.989 -9.731 1.00 0.00 H new ATOM 0 HZ PHE A 3 -10.473 -3.253 -8.731 1.00 0.00 H new ATOM 61 N LEU A 4 -16.176 -0.860 -2.825 1.00 0.00 N ATOM 62 CA LEU A 4 -16.686 0.060 -1.767 1.00 0.00 C ATOM 63 C LEU A 4 -16.180 -0.438 -0.406 1.00 0.00 C ATOM 64 O LEU A 4 -14.996 -0.329 -0.142 1.00 0.00 O ATOM 65 CB LEU A 4 -18.219 0.028 -1.894 1.00 0.00 C ATOM 66 CG LEU A 4 -18.661 0.641 -3.229 1.00 0.00 C ATOM 67 CD1 LEU A 4 -20.111 0.244 -3.518 1.00 0.00 C ATOM 68 CD2 LEU A 4 -18.565 2.168 -3.160 1.00 0.00 C ATOM 0 H LEU A 4 -16.720 -1.714 -2.947 1.00 0.00 H new ATOM 0 HA LEU A 4 -16.339 1.088 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -18.574 -1.000 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.670 0.578 -1.068 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.010 0.272 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -20.425 0.679 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -20.187 -0.842 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -20.755 0.611 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -18.880 2.596 -4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -19.211 2.538 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.535 2.459 -2.955 1.00 0.00 H new ATOM 80 N ALA A 5 -17.037 -0.971 0.449 1.00 0.00 N ATOM 81 CA ALA A 5 -16.589 -1.466 1.793 1.00 0.00 C ATOM 82 C ALA A 5 -15.828 -0.339 2.496 1.00 0.00 C ATOM 83 O ALA A 5 -14.680 -0.493 2.848 1.00 0.00 O ATOM 84 CB ALA A 5 -15.693 -2.681 1.506 1.00 0.00 C ATOM 0 H ALA A 5 -18.034 -1.082 0.266 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.411 -1.755 2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.329 -3.095 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.268 -3.439 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -14.846 -2.372 0.894 1.00 0.00 H new ATOM 90 N ARG A 6 -16.465 0.803 2.674 1.00 0.00 N ATOM 91 CA ARG A 6 -15.792 1.978 3.325 1.00 0.00 C ATOM 92 C ARG A 6 -14.498 2.287 2.552 1.00 0.00 C ATOM 93 O ARG A 6 -13.484 2.636 3.129 1.00 0.00 O ATOM 94 CB ARG A 6 -15.493 1.571 4.775 1.00 0.00 C ATOM 95 CG ARG A 6 -16.799 1.359 5.548 1.00 0.00 C ATOM 96 CD ARG A 6 -16.961 -0.127 5.880 1.00 0.00 C ATOM 97 NE ARG A 6 -17.990 -0.176 6.957 1.00 0.00 N ATOM 98 CZ ARG A 6 -19.084 -0.872 6.792 1.00 0.00 C ATOM 99 NH1 ARG A 6 -20.075 -0.375 6.095 1.00 0.00 N ATOM 100 NH2 ARG A 6 -19.182 -2.064 7.324 1.00 0.00 N ATOM 0 H ARG A 6 -17.431 0.970 2.392 1.00 0.00 H new ATOM 0 HA ARG A 6 -16.414 2.873 3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -14.902 0.655 4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -14.896 2.343 5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -16.791 1.949 6.465 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.645 1.704 4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -17.279 -0.694 5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.019 -0.561 6.215 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.840 0.336 7.826 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -19.992 0.554 5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -20.929 -0.917 5.965 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.406 -2.446 7.865 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -20.034 -2.610 7.198 1.00 0.00 H new ATOM 114 N LEU A 7 -14.549 2.136 1.240 1.00 0.00 N ATOM 115 CA LEU A 7 -13.373 2.377 0.338 1.00 0.00 C ATOM 116 C LEU A 7 -12.193 1.445 0.687 1.00 0.00 C ATOM 117 O LEU A 7 -11.057 1.736 0.357 1.00 0.00 O ATOM 118 CB LEU A 7 -13.001 3.857 0.508 1.00 0.00 C ATOM 119 CG LEU A 7 -13.567 4.672 -0.658 1.00 0.00 C ATOM 120 CD1 LEU A 7 -13.490 6.163 -0.323 1.00 0.00 C ATOM 121 CD2 LEU A 7 -12.752 4.396 -1.923 1.00 0.00 C ATOM 0 H LEU A 7 -15.392 1.845 0.745 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.621 2.156 -0.700 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.395 4.234 1.452 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.917 3.967 0.548 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.606 4.387 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.893 6.744 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.071 6.364 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.451 6.445 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -13.157 4.977 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.713 4.679 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.804 3.335 -2.165 1.00 0.00 H new ATOM 133 N ILE A 8 -12.456 0.325 1.337 1.00 0.00 N ATOM 134 CA ILE A 8 -11.361 -0.635 1.708 1.00 0.00 C ATOM 135 C ILE A 8 -10.739 -1.257 0.450 1.00 0.00 C ATOM 136 O ILE A 8 -9.532 -1.273 0.305 1.00 0.00 O ATOM 137 CB ILE A 8 -12.029 -1.703 2.599 1.00 0.00 C ATOM 138 CG1 ILE A 8 -12.173 -1.144 4.020 1.00 0.00 C ATOM 139 CG2 ILE A 8 -11.188 -2.985 2.647 1.00 0.00 C ATOM 140 CD1 ILE A 8 -13.100 -2.041 4.850 1.00 0.00 C ATOM 0 H ILE A 8 -13.390 0.036 1.627 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.545 -0.140 2.235 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.006 -1.946 2.180 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.194 -1.082 4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.574 -0.131 3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.682 -3.721 3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.081 -3.388 1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.202 -2.759 3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.194 -1.634 5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.083 -2.081 4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.682 -3.046 4.903 1.00 0.00 H new ATOM 152 N TRP A 9 -11.546 -1.764 -0.450 1.00 0.00 N ATOM 153 CA TRP A 9 -10.995 -2.385 -1.703 1.00 0.00 C ATOM 154 C TRP A 9 -10.206 -1.347 -2.519 1.00 0.00 C ATOM 155 O TRP A 9 -9.152 -1.645 -3.052 1.00 0.00 O ATOM 156 CB TRP A 9 -12.205 -2.877 -2.502 1.00 0.00 C ATOM 157 CG TRP A 9 -12.082 -4.341 -2.786 1.00 0.00 C ATOM 158 CD1 TRP A 9 -11.599 -4.873 -3.932 1.00 0.00 C ATOM 159 CD2 TRP A 9 -12.442 -5.466 -1.933 1.00 0.00 C ATOM 160 NE1 TRP A 9 -11.639 -6.252 -3.839 1.00 0.00 N ATOM 161 CE2 TRP A 9 -12.151 -6.667 -2.625 1.00 0.00 C ATOM 162 CE3 TRP A 9 -12.986 -5.562 -0.642 1.00 0.00 C ATOM 163 CZ2 TRP A 9 -12.393 -7.917 -2.053 1.00 0.00 C ATOM 164 CZ3 TRP A 9 -13.231 -6.815 -0.063 1.00 0.00 C ATOM 165 CH2 TRP A 9 -12.935 -7.991 -0.766 1.00 0.00 C ATOM 0 H TRP A 9 -12.563 -1.776 -0.374 1.00 0.00 H new ATOM 0 HA TRP A 9 -10.310 -3.200 -1.470 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -13.121 -2.684 -1.943 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -12.280 -2.324 -3.438 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -11.240 -4.312 -4.782 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -11.329 -6.885 -4.576 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -13.218 -4.663 -0.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -12.164 -8.820 -2.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -13.650 -6.875 0.931 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -13.125 -8.953 -0.314 1.00 0.00 H new ATOM 176 N TRP A 10 -10.711 -0.136 -2.615 1.00 0.00 N ATOM 177 CA TRP A 10 -9.996 0.927 -3.389 1.00 0.00 C ATOM 178 C TRP A 10 -8.664 1.270 -2.704 1.00 0.00 C ATOM 179 O TRP A 10 -7.629 1.313 -3.345 1.00 0.00 O ATOM 180 CB TRP A 10 -10.940 2.135 -3.405 1.00 0.00 C ATOM 181 CG TRP A 10 -10.983 2.718 -4.781 1.00 0.00 C ATOM 182 CD1 TRP A 10 -12.005 2.573 -5.656 1.00 0.00 C ATOM 183 CD2 TRP A 10 -9.978 3.531 -5.452 1.00 0.00 C ATOM 184 NE1 TRP A 10 -11.691 3.246 -6.822 1.00 0.00 N ATOM 185 CE2 TRP A 10 -10.452 3.852 -6.746 1.00 0.00 C ATOM 186 CE3 TRP A 10 -8.716 4.014 -5.068 1.00 0.00 C ATOM 187 CZ2 TRP A 10 -9.697 4.629 -7.628 1.00 0.00 C ATOM 188 CZ3 TRP A 10 -7.955 4.794 -5.951 1.00 0.00 C ATOM 189 CH2 TRP A 10 -8.443 5.100 -7.227 1.00 0.00 C ATOM 0 H TRP A 10 -11.589 0.160 -2.189 1.00 0.00 H new ATOM 0 HA TRP A 10 -9.755 0.607 -4.403 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -11.940 1.832 -3.096 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -10.599 2.885 -2.691 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -12.916 2.022 -5.473 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -12.300 3.290 -7.639 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -8.329 3.783 -4.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -10.078 4.864 -8.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -6.987 5.161 -5.645 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -7.851 5.700 -7.902 1.00 0.00 H new ATOM 200 N LEU A 11 -8.688 1.503 -1.409 1.00 0.00 N ATOM 201 CA LEU A 11 -7.427 1.835 -0.672 1.00 0.00 C ATOM 202 C LEU A 11 -6.507 0.606 -0.612 1.00 0.00 C ATOM 203 O LEU A 11 -5.306 0.749 -0.679 1.00 0.00 O ATOM 204 CB LEU A 11 -7.850 2.278 0.734 1.00 0.00 C ATOM 205 CG LEU A 11 -7.843 3.809 0.811 1.00 0.00 C ATOM 206 CD1 LEU A 11 -9.240 4.348 0.490 1.00 0.00 C ATOM 207 CD2 LEU A 11 -7.437 4.253 2.220 1.00 0.00 C ATOM 0 H LEU A 11 -9.529 1.477 -0.832 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.867 2.625 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.845 1.896 0.963 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.170 1.863 1.478 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.128 4.201 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.232 5.437 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.528 4.038 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.957 3.953 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.433 5.342 2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.149 3.858 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.440 3.875 2.447 1.00 0.00 H new ATOM 219 N GLN A 12 -7.053 -0.589 -0.497 1.00 0.00 N ATOM 220 CA GLN A 12 -6.200 -1.827 -0.443 1.00 0.00 C ATOM 221 C GLN A 12 -5.417 -1.979 -1.758 1.00 0.00 C ATOM 222 O GLN A 12 -4.268 -2.383 -1.751 1.00 0.00 O ATOM 223 CB GLN A 12 -7.171 -3.002 -0.245 1.00 0.00 C ATOM 224 CG GLN A 12 -6.393 -4.297 0.025 1.00 0.00 C ATOM 225 CD GLN A 12 -7.368 -5.471 0.192 1.00 0.00 C ATOM 226 OE1 GLN A 12 -7.452 -6.056 1.254 1.00 0.00 O ATOM 227 NE2 GLN A 12 -8.111 -5.843 -0.816 1.00 0.00 N ATOM 0 H GLN A 12 -8.057 -0.759 -0.438 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.469 -1.784 0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.841 -2.792 0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.793 -3.122 -1.132 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.707 -4.497 -0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.787 -4.186 0.924 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -8.042 -5.354 -1.708 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.760 -6.623 -0.711 1.00 0.00 H new ATOM 236 N TYR A 13 -6.026 -1.650 -2.878 1.00 0.00 N ATOM 237 CA TYR A 13 -5.322 -1.763 -4.198 1.00 0.00 C ATOM 238 C TYR A 13 -4.144 -0.772 -4.269 1.00 0.00 C ATOM 239 O TYR A 13 -3.196 -0.990 -5.003 1.00 0.00 O ATOM 240 CB TYR A 13 -6.376 -1.435 -5.264 1.00 0.00 C ATOM 241 CG TYR A 13 -6.382 -2.524 -6.310 1.00 0.00 C ATOM 242 CD1 TYR A 13 -7.175 -3.664 -6.127 1.00 0.00 C ATOM 243 CD2 TYR A 13 -5.593 -2.394 -7.458 1.00 0.00 C ATOM 244 CE1 TYR A 13 -7.178 -4.675 -7.095 1.00 0.00 C ATOM 245 CE2 TYR A 13 -5.596 -3.405 -8.426 1.00 0.00 C ATOM 246 CZ TYR A 13 -6.387 -4.545 -8.245 1.00 0.00 C ATOM 247 OH TYR A 13 -6.387 -5.541 -9.199 1.00 0.00 O ATOM 0 H TYR A 13 -6.985 -1.307 -2.933 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.904 -2.759 -4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.361 -1.351 -4.805 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.156 -0.472 -5.726 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -7.783 -3.763 -5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.982 -1.514 -7.597 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.789 -5.554 -6.956 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.988 -3.305 -9.313 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.786 -5.292 -9.932 1.00 0.00 H new ATOM 257 N PHE A 14 -4.198 0.304 -3.511 1.00 0.00 N ATOM 258 CA PHE A 14 -3.089 1.307 -3.519 1.00 0.00 C ATOM 259 C PHE A 14 -2.193 1.129 -2.285 1.00 0.00 C ATOM 260 O PHE A 14 -1.000 1.364 -2.366 1.00 0.00 O ATOM 261 CB PHE A 14 -3.774 2.677 -3.527 1.00 0.00 C ATOM 262 CG PHE A 14 -3.863 3.169 -4.953 1.00 0.00 C ATOM 263 CD1 PHE A 14 -2.802 3.894 -5.509 1.00 0.00 C ATOM 264 CD2 PHE A 14 -5.002 2.894 -5.719 1.00 0.00 C ATOM 265 CE1 PHE A 14 -2.882 4.346 -6.831 1.00 0.00 C ATOM 266 CE2 PHE A 14 -5.080 3.347 -7.042 1.00 0.00 C ATOM 267 CZ PHE A 14 -4.020 4.073 -7.597 1.00 0.00 C ATOM 0 H PHE A 14 -4.971 0.527 -2.884 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.437 1.191 -4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.770 2.603 -3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.211 3.384 -2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.923 4.104 -4.918 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.819 2.333 -5.290 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.064 4.906 -7.260 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.958 3.136 -7.634 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.081 4.423 -8.617 1.00 0.00 H new ATOM 277 N ILE A 15 -2.739 0.714 -1.157 1.00 0.00 N ATOM 278 CA ILE A 15 -1.893 0.519 0.064 1.00 0.00 C ATOM 279 C ILE A 15 -0.850 -0.579 -0.203 1.00 0.00 C ATOM 280 O ILE A 15 0.232 -0.531 0.341 1.00 0.00 O ATOM 281 CB ILE A 15 -2.844 0.162 1.229 1.00 0.00 C ATOM 282 CG1 ILE A 15 -2.175 0.522 2.564 1.00 0.00 C ATOM 283 CG2 ILE A 15 -3.190 -1.330 1.239 1.00 0.00 C ATOM 284 CD1 ILE A 15 -1.978 2.038 2.668 1.00 0.00 C ATOM 0 H ILE A 15 -3.730 0.504 -1.035 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.338 1.420 0.324 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.764 0.730 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.789 0.171 3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.212 0.017 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.860 -1.543 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.680 -1.596 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.277 -1.915 1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.503 2.279 3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.345 2.380 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.946 2.536 2.610 1.00 0.00 H new ATOM 296 N THR A 16 -1.158 -1.549 -1.046 1.00 0.00 N ATOM 297 CA THR A 16 -0.172 -2.634 -1.362 1.00 0.00 C ATOM 298 C THR A 16 1.070 -2.003 -2.023 1.00 0.00 C ATOM 299 O THR A 16 2.185 -2.445 -1.808 1.00 0.00 O ATOM 300 CB THR A 16 -0.907 -3.618 -2.302 1.00 0.00 C ATOM 301 OG1 THR A 16 -0.128 -4.795 -2.476 1.00 0.00 O ATOM 302 CG2 THR A 16 -1.172 -2.990 -3.676 1.00 0.00 C ATOM 0 H THR A 16 -2.054 -1.631 -1.527 1.00 0.00 H new ATOM 0 HA THR A 16 0.178 -3.166 -0.477 1.00 0.00 H new ATOM 0 HB THR A 16 -1.863 -3.863 -1.840 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.600 -5.415 -3.071 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.690 -3.709 -4.311 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.790 -2.100 -3.556 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.225 -2.714 -4.139 1.00 0.00 H new ATOM 310 N ARG A 17 0.875 -0.961 -2.808 1.00 0.00 N ATOM 311 CA ARG A 17 2.021 -0.264 -3.475 1.00 0.00 C ATOM 312 C ARG A 17 2.825 0.480 -2.398 1.00 0.00 C ATOM 313 O ARG A 17 4.041 0.434 -2.382 1.00 0.00 O ATOM 314 CB ARG A 17 1.386 0.725 -4.466 1.00 0.00 C ATOM 315 CG ARG A 17 1.560 0.215 -5.900 1.00 0.00 C ATOM 316 CD ARG A 17 0.623 0.987 -6.838 1.00 0.00 C ATOM 317 NE ARG A 17 -0.537 0.079 -7.080 1.00 0.00 N ATOM 318 CZ ARG A 17 -0.754 -0.399 -8.276 1.00 0.00 C ATOM 319 NH1 ARG A 17 -1.391 0.327 -9.160 1.00 0.00 N ATOM 320 NH2 ARG A 17 -0.332 -1.601 -8.581 1.00 0.00 N ATOM 0 H ARG A 17 -0.041 -0.563 -3.014 1.00 0.00 H new ATOM 0 HA ARG A 17 2.696 -0.946 -3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.327 0.848 -4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.850 1.706 -4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.595 0.341 -6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.340 -0.852 -5.947 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.300 1.924 -6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.124 1.240 -7.772 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.160 -0.168 -6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.716 1.262 -8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.563 -0.042 -10.095 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.164 -2.159 -7.886 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.499 -1.979 -9.514 1.00 0.00 H new ATOM 334 N ALA A 18 2.140 1.151 -1.494 1.00 0.00 N ATOM 335 CA ALA A 18 2.830 1.898 -0.395 1.00 0.00 C ATOM 336 C ALA A 18 3.470 0.904 0.588 1.00 0.00 C ATOM 337 O ALA A 18 4.577 1.113 1.043 1.00 0.00 O ATOM 338 CB ALA A 18 1.734 2.719 0.295 1.00 0.00 C ATOM 0 H ALA A 18 1.122 1.211 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 18 3.628 2.539 -0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.170 3.293 1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.282 3.400 -0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.970 2.048 0.689 1.00 0.00 H new ATOM 344 N GLU A 19 2.781 -0.177 0.909 1.00 0.00 N ATOM 345 CA GLU A 19 3.333 -1.205 1.855 1.00 0.00 C ATOM 346 C GLU A 19 4.636 -1.798 1.292 1.00 0.00 C ATOM 347 O GLU A 19 5.552 -2.091 2.040 1.00 0.00 O ATOM 348 CB GLU A 19 2.255 -2.288 1.990 1.00 0.00 C ATOM 349 CG GLU A 19 2.443 -3.043 3.313 1.00 0.00 C ATOM 350 CD GLU A 19 1.621 -4.337 3.306 1.00 0.00 C ATOM 351 OE1 GLU A 19 1.911 -5.198 2.490 1.00 0.00 O ATOM 352 OE2 GLU A 19 0.719 -4.446 4.119 1.00 0.00 O ATOM 0 H GLU A 19 1.850 -0.389 0.550 1.00 0.00 H new ATOM 0 HA GLU A 19 3.572 -0.770 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.264 -1.835 1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.316 -2.982 1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.498 -3.274 3.461 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.135 -2.412 4.147 1.00 0.00 H new ATOM 359 N ALA A 20 4.732 -1.959 -0.013 1.00 0.00 N ATOM 360 CA ALA A 20 5.988 -2.514 -0.617 1.00 0.00 C ATOM 361 C ALA A 20 7.140 -1.555 -0.284 1.00 0.00 C ATOM 362 O ALA A 20 8.225 -1.972 0.080 1.00 0.00 O ATOM 363 CB ALA A 20 5.739 -2.569 -2.129 1.00 0.00 C ATOM 0 H ALA A 20 3.996 -1.730 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 20 6.245 -3.503 -0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.622 -2.967 -2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.885 -3.214 -2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.533 -1.565 -2.501 1.00 0.00 H new ATOM 369 N HIS A 21 6.883 -0.269 -0.392 1.00 0.00 N ATOM 370 CA HIS A 21 7.920 0.762 -0.071 1.00 0.00 C ATOM 371 C HIS A 21 8.100 0.846 1.457 1.00 0.00 C ATOM 372 O HIS A 21 9.166 1.183 1.933 1.00 0.00 O ATOM 373 CB HIS A 21 7.376 2.087 -0.627 1.00 0.00 C ATOM 374 CG HIS A 21 7.594 2.164 -2.118 1.00 0.00 C ATOM 375 ND1 HIS A 21 8.024 3.326 -2.743 1.00 0.00 N ATOM 376 CD2 HIS A 21 7.443 1.235 -3.121 1.00 0.00 C ATOM 377 CE1 HIS A 21 8.116 3.068 -4.060 1.00 0.00 C ATOM 378 NE2 HIS A 21 7.773 1.809 -4.345 1.00 0.00 N ATOM 0 H HIS A 21 5.986 0.112 -0.693 1.00 0.00 H new ATOM 0 HA HIS A 21 8.891 0.524 -0.505 1.00 0.00 H new ATOM 0 HB2 HIS A 21 6.312 2.172 -0.404 1.00 0.00 H new ATOM 0 HB3 HIS A 21 7.872 2.925 -0.137 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.118 0.215 -2.980 1.00 0.00 H new ATOM 0 HE1 HIS A 21 8.429 3.792 -4.798 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.756 1.364 -5.263 1.00 0.00 H new ATOM 386 N LEU A 22 7.063 0.536 2.220 1.00 0.00 N ATOM 387 CA LEU A 22 7.134 0.580 3.722 1.00 0.00 C ATOM 388 C LEU A 22 8.274 -0.305 4.247 1.00 0.00 C ATOM 389 O LEU A 22 8.947 0.056 5.197 1.00 0.00 O ATOM 390 CB LEU A 22 5.778 0.052 4.213 1.00 0.00 C ATOM 391 CG LEU A 22 5.594 0.355 5.706 1.00 0.00 C ATOM 392 CD1 LEU A 22 4.272 1.095 5.925 1.00 0.00 C ATOM 393 CD2 LEU A 22 5.575 -0.958 6.497 1.00 0.00 C ATOM 0 H LEU A 22 6.156 0.250 1.853 1.00 0.00 H new ATOM 0 HA LEU A 22 7.334 1.590 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.973 0.512 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.716 -1.023 4.043 1.00 0.00 H new ATOM 0 HG LEU A 22 6.420 0.978 6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.146 1.308 6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.282 2.031 5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.446 0.474 5.579 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.444 -0.742 7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.751 -1.580 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.517 -1.486 6.348 1.00 0.00 H new ATOM 405 N GLN A 23 8.491 -1.451 3.636 1.00 0.00 N ATOM 406 CA GLN A 23 9.592 -2.363 4.090 1.00 0.00 C ATOM 407 C GLN A 23 10.957 -1.666 3.987 1.00 0.00 C ATOM 408 O GLN A 23 11.893 -2.028 4.678 1.00 0.00 O ATOM 409 CB GLN A 23 9.529 -3.592 3.175 1.00 0.00 C ATOM 410 CG GLN A 23 8.471 -4.572 3.698 1.00 0.00 C ATOM 411 CD GLN A 23 7.918 -5.407 2.539 1.00 0.00 C ATOM 412 OE1 GLN A 23 8.422 -6.475 2.251 1.00 0.00 O ATOM 413 NE2 GLN A 23 6.895 -4.969 1.853 1.00 0.00 N ATOM 0 H GLN A 23 7.951 -1.793 2.841 1.00 0.00 H new ATOM 0 HA GLN A 23 9.469 -2.645 5.136 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.285 -3.288 2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 23 10.503 -4.080 3.137 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.909 -5.226 4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.662 -4.024 4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.468 -4.074 2.090 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.524 -5.523 1.081 1.00 0.00 H new ATOM 422 N VAL A 24 11.069 -0.665 3.146 1.00 0.00 N ATOM 423 CA VAL A 24 12.359 0.079 2.995 1.00 0.00 C ATOM 424 C VAL A 24 12.387 1.209 4.042 1.00 0.00 C ATOM 425 O VAL A 24 12.395 2.380 3.708 1.00 0.00 O ATOM 426 CB VAL A 24 12.365 0.632 1.556 1.00 0.00 C ATOM 427 CG1 VAL A 24 13.736 1.233 1.233 1.00 0.00 C ATOM 428 CG2 VAL A 24 12.073 -0.491 0.551 1.00 0.00 C ATOM 0 H VAL A 24 10.312 -0.329 2.551 1.00 0.00 H new ATOM 0 HA VAL A 24 13.239 -0.544 3.155 1.00 0.00 H new ATOM 0 HB VAL A 24 11.594 1.399 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 24 13.732 1.622 0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.951 2.043 1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.502 0.463 1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.081 -0.085 -0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.836 -1.264 0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.094 -0.922 0.762 1.00 0.00 H new ATOM 438 N TRP A 25 12.394 0.830 5.310 1.00 0.00 N ATOM 439 CA TRP A 25 12.415 1.790 6.476 1.00 0.00 C ATOM 440 C TRP A 25 11.632 3.093 6.209 1.00 0.00 C ATOM 441 O TRP A 25 12.131 4.186 6.418 1.00 0.00 O ATOM 442 CB TRP A 25 13.900 2.056 6.813 1.00 0.00 C ATOM 443 CG TRP A 25 14.687 2.516 5.619 1.00 0.00 C ATOM 444 CD1 TRP A 25 14.825 3.804 5.225 1.00 0.00 C ATOM 445 CD2 TRP A 25 15.447 1.716 4.667 1.00 0.00 C ATOM 446 NE1 TRP A 25 15.615 3.844 4.091 1.00 0.00 N ATOM 447 CE2 TRP A 25 16.024 2.582 3.708 1.00 0.00 C ATOM 448 CE3 TRP A 25 15.687 0.336 4.542 1.00 0.00 C ATOM 449 CZ2 TRP A 25 16.812 2.096 2.663 1.00 0.00 C ATOM 450 CZ3 TRP A 25 16.479 -0.156 3.494 1.00 0.00 C ATOM 451 CH2 TRP A 25 17.040 0.722 2.555 1.00 0.00 C ATOM 0 H TRP A 25 12.386 -0.150 5.594 1.00 0.00 H new ATOM 0 HA TRP A 25 11.900 1.344 7.327 1.00 0.00 H new ATOM 0 HB2 TRP A 25 13.962 2.810 7.597 1.00 0.00 H new ATOM 0 HB3 TRP A 25 14.348 1.145 7.211 1.00 0.00 H new ATOM 0 HD1 TRP A 25 14.389 4.661 5.717 1.00 0.00 H new ATOM 0 HE1 TRP A 25 15.865 4.701 3.598 1.00 0.00 H new ATOM 0 HE3 TRP A 25 15.259 -0.350 5.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 17.242 2.777 1.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 16.658 -1.218 3.410 1.00 0.00 H new ATOM 0 HH2 TRP A 25 17.647 0.336 1.750 1.00 0.00 H new ATOM 462 N ILE A 26 10.402 2.984 5.756 1.00 0.00 N ATOM 463 CA ILE A 26 9.582 4.209 5.479 1.00 0.00 C ATOM 464 C ILE A 26 9.061 4.829 6.794 1.00 0.00 C ATOM 465 O ILE A 26 8.746 4.114 7.728 1.00 0.00 O ATOM 466 CB ILE A 26 8.439 3.741 4.549 1.00 0.00 C ATOM 467 CG1 ILE A 26 8.270 4.750 3.407 1.00 0.00 C ATOM 468 CG2 ILE A 26 7.102 3.616 5.300 1.00 0.00 C ATOM 469 CD1 ILE A 26 7.572 4.077 2.223 1.00 0.00 C ATOM 0 H ILE A 26 9.932 2.099 5.566 1.00 0.00 H new ATOM 0 HA ILE A 26 10.164 4.997 5.002 1.00 0.00 H new ATOM 0 HB ILE A 26 8.707 2.757 4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.686 5.605 3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.243 5.131 3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.326 3.285 4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 26 7.204 2.890 6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.827 4.585 5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.454 4.797 1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.173 3.236 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.591 3.717 2.535 1.00 0.00 H new ATOM 481 N PRO A 27 8.983 6.146 6.825 1.00 0.00 N ATOM 482 CA PRO A 27 8.489 6.855 8.040 1.00 0.00 C ATOM 483 C PRO A 27 6.949 6.791 8.121 1.00 0.00 C ATOM 484 O PRO A 27 6.281 7.045 7.135 1.00 0.00 O ATOM 485 CB PRO A 27 8.964 8.292 7.832 1.00 0.00 C ATOM 486 CG PRO A 27 9.111 8.455 6.354 1.00 0.00 C ATOM 487 CD PRO A 27 9.343 7.093 5.756 1.00 0.00 C ATOM 0 HA PRO A 27 8.856 6.417 8.968 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.245 9.005 8.236 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.911 8.470 8.342 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.216 8.910 5.930 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.945 9.119 6.125 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.728 6.941 4.869 1.00 0.00 H new ATOM 0 HD3 PRO A 27 10.381 6.967 5.449 1.00 0.00 H new ATOM 495 N PRO A 28 6.429 6.455 9.287 1.00 0.00 N ATOM 496 CA PRO A 28 4.953 6.364 9.479 1.00 0.00 C ATOM 497 C PRO A 28 4.359 7.759 9.748 1.00 0.00 C ATOM 498 O PRO A 28 4.636 8.371 10.765 1.00 0.00 O ATOM 499 CB PRO A 28 4.812 5.451 10.697 1.00 0.00 C ATOM 500 CG PRO A 28 6.091 5.593 11.462 1.00 0.00 C ATOM 501 CD PRO A 28 7.148 6.127 10.529 1.00 0.00 C ATOM 0 HA PRO A 28 4.423 5.981 8.607 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.957 5.742 11.307 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.650 4.417 10.394 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.955 6.268 12.307 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.397 4.630 11.870 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.635 7.008 10.947 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.927 5.386 10.350 1.00 0.00 H new ATOM 509 N LEU A 29 3.549 8.265 8.844 1.00 0.00 N ATOM 510 CA LEU A 29 2.941 9.624 9.041 1.00 0.00 C ATOM 511 C LEU A 29 1.403 9.552 9.016 1.00 0.00 C ATOM 512 O LEU A 29 0.755 10.278 8.284 1.00 0.00 O ATOM 513 CB LEU A 29 3.481 10.469 7.879 1.00 0.00 C ATOM 514 CG LEU A 29 4.979 10.740 8.076 1.00 0.00 C ATOM 515 CD1 LEU A 29 5.736 10.422 6.786 1.00 0.00 C ATOM 516 CD2 LEU A 29 5.191 12.212 8.437 1.00 0.00 C ATOM 0 H LEU A 29 3.283 7.796 7.978 1.00 0.00 H new ATOM 0 HA LEU A 29 3.200 10.053 10.009 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.319 9.949 6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.937 11.412 7.821 1.00 0.00 H new ATOM 0 HG LEU A 29 5.354 10.108 8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.799 10.616 6.931 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.590 9.373 6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.359 11.050 5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.255 12.403 8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.812 12.842 7.633 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.657 12.441 9.359 1.00 0.00 H new ATOM 528 N ASN A 30 0.827 8.677 9.817 1.00 0.00 N ATOM 529 CA ASN A 30 -0.664 8.510 9.888 1.00 0.00 C ATOM 530 C ASN A 30 -1.244 8.134 8.514 1.00 0.00 C ATOM 531 O ASN A 30 -1.865 8.940 7.842 1.00 0.00 O ATOM 532 CB ASN A 30 -1.226 9.849 10.398 1.00 0.00 C ATOM 533 CG ASN A 30 -2.608 9.626 11.025 1.00 0.00 C ATOM 534 OD1 ASN A 30 -2.749 8.854 11.952 1.00 0.00 O ATOM 535 ND2 ASN A 30 -3.644 10.271 10.560 1.00 0.00 N ATOM 0 H ASN A 30 1.345 8.057 10.440 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.940 7.697 10.560 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.548 10.282 11.134 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.300 10.560 9.575 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.564 10.125 10.975 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.533 10.921 9.782 1.00 0.00 H new ATOM 542 N VAL A 31 -1.042 6.903 8.105 1.00 0.00 N ATOM 543 CA VAL A 31 -1.569 6.433 6.783 1.00 0.00 C ATOM 544 C VAL A 31 -2.739 5.451 7.015 1.00 0.00 C ATOM 545 O VAL A 31 -2.705 4.309 6.591 1.00 0.00 O ATOM 546 CB VAL A 31 -0.361 5.794 6.064 1.00 0.00 C ATOM 547 CG1 VAL A 31 0.141 4.544 6.803 1.00 0.00 C ATOM 548 CG2 VAL A 31 -0.750 5.419 4.628 1.00 0.00 C ATOM 0 H VAL A 31 -0.530 6.198 8.635 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.979 7.233 6.167 1.00 0.00 H new ATOM 0 HB VAL A 31 0.446 6.527 6.052 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.991 4.122 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.447 4.817 7.813 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.659 3.805 6.853 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.106 4.969 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.575 4.707 4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.058 6.315 4.089 1.00 0.00 H new ATOM 558 N ARG A 32 -3.769 5.914 7.700 1.00 0.00 N ATOM 559 CA ARG A 32 -4.988 5.089 8.019 1.00 0.00 C ATOM 560 C ARG A 32 -4.658 3.989 9.044 1.00 0.00 C ATOM 561 O ARG A 32 -5.218 3.979 10.126 1.00 0.00 O ATOM 562 CB ARG A 32 -5.506 4.497 6.696 1.00 0.00 C ATOM 563 CG ARG A 32 -6.937 4.983 6.435 1.00 0.00 C ATOM 564 CD ARG A 32 -7.791 3.829 5.900 1.00 0.00 C ATOM 565 NE ARG A 32 -8.431 3.218 7.102 1.00 0.00 N ATOM 566 CZ ARG A 32 -9.711 3.384 7.325 1.00 0.00 C ATOM 567 NH1 ARG A 32 -10.589 2.838 6.520 1.00 0.00 N ATOM 568 NH2 ARG A 32 -10.110 4.096 8.349 1.00 0.00 N ATOM 0 H ARG A 32 -3.813 6.866 8.063 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.760 5.709 8.475 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.855 4.795 5.874 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.484 3.408 6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.372 5.372 7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.927 5.803 5.716 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.541 4.189 5.196 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.178 3.101 5.368 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.869 2.669 7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.275 2.285 5.722 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.586 2.966 6.691 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.424 4.521 8.973 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.107 4.225 8.523 1.00 0.00 H new ATOM 582 N GLY A 33 -3.764 3.080 8.720 1.00 0.00 N ATOM 583 CA GLY A 33 -3.391 1.987 9.669 1.00 0.00 C ATOM 584 C GLY A 33 -2.061 2.330 10.349 1.00 0.00 C ATOM 585 O GLY A 33 -1.091 2.561 9.641 1.00 0.00 O ATOM 586 OXT GLY A 33 -2.034 2.358 11.568 1.00 0.00 O ATOM 0 H GLY A 33 -3.273 3.052 7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.172 1.860 10.418 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.305 1.041 9.135 1.00 0.00 H new TER 590 GLY A 33