USER MOD reduce.3.24.130724 H: found=0, std=0, add=277, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 276 hydrogens (11 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 NoAdj-H: A 18 ACAHN62 : A 18 ACA N6 : A 17 LYS C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.197 K(o=-0.2,f=-2) USER MOD Single : A 22 GLN : amide:sc=-0.00117 X(o=-0.0012,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 160:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.8! C(o=-1.8!,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.389 6.583 3.969 1.00 43.14 N ATOM 2 CA GLY A 1 -10.699 6.557 5.389 1.00 33.32 C ATOM 3 C GLY A 1 -11.319 5.216 5.789 1.00 4.24 C ATOM 4 O GLY A 1 -10.657 4.380 6.402 1.00 12.32 O ATOM 0 H1 GLY A 1 -9.970 7.502 3.722 1.00 43.14 H new ATOM 0 H2 GLY A 1 -9.714 5.824 3.747 1.00 43.14 H new ATOM 0 H3 GLY A 1 -11.261 6.442 3.421 1.00 43.14 H new ATOM 0 HA2 GLY A 1 -9.791 6.729 5.967 1.00 33.32 H new ATOM 0 HA3 GLY A 1 -11.388 7.367 5.630 1.00 33.32 H new ATOM 8 N ILE A 2 -12.583 5.054 5.428 1.00 25.14 N ATOM 9 CA ILE A 2 -13.301 3.830 5.742 1.00 13.32 C ATOM 10 C ILE A 2 -14.140 3.411 4.533 1.00 11.04 C ATOM 11 O ILE A 2 -14.376 4.211 3.629 1.00 41.51 O ATOM 12 CB ILE A 2 -14.114 4.000 7.026 1.00 42.20 C ATOM 13 CG1 ILE A 2 -14.444 5.473 7.275 1.00 44.10 C ATOM 14 CG2 ILE A 2 -13.397 3.363 8.218 1.00 13.00 C ATOM 15 CD1 ILE A 2 -15.602 5.617 8.264 1.00 32.10 C ATOM 0 H ILE A 2 -13.129 5.750 4.921 1.00 25.14 H new ATOM 0 HA ILE A 2 -12.601 3.018 5.941 1.00 13.32 H new ATOM 0 HB ILE A 2 -15.061 3.475 6.903 1.00 42.20 H new ATOM 0 HG12 ILE A 2 -13.564 5.986 7.663 1.00 44.10 H new ATOM 0 HG13 ILE A 2 -14.704 5.955 6.333 1.00 44.10 H new ATOM 0 HG21 ILE A 2 -13.997 3.498 9.118 1.00 13.00 H new ATOM 0 HG22 ILE A 2 -13.257 2.298 8.032 1.00 13.00 H new ATOM 0 HG23 ILE A 2 -12.426 3.838 8.355 1.00 13.00 H new ATOM 0 HD11 ILE A 2 -15.816 6.674 8.423 1.00 32.10 H new ATOM 0 HD12 ILE A 2 -16.487 5.124 7.862 1.00 32.10 H new ATOM 0 HD13 ILE A 2 -15.329 5.155 9.213 1.00 32.10 H new ATOM 27 N GLY A 3 -14.568 2.158 4.556 1.00 22.42 N ATOM 28 CA GLY A 3 -15.376 1.623 3.473 1.00 22.34 C ATOM 29 C GLY A 3 -16.860 1.617 3.847 1.00 23.03 C ATOM 30 O GLY A 3 -17.305 0.771 4.621 1.00 11.04 O ATOM 0 H GLY A 3 -14.371 1.497 5.308 1.00 22.42 H new ATOM 0 HA2 GLY A 3 -15.226 2.220 2.574 1.00 22.34 H new ATOM 0 HA3 GLY A 3 -15.052 0.609 3.240 1.00 22.34 H new ATOM 34 N ALA A 4 -17.585 2.571 3.281 1.00 40.34 N ATOM 35 CA ALA A 4 -19.009 2.687 3.545 1.00 45.24 C ATOM 36 C ALA A 4 -19.714 1.411 3.080 1.00 63.41 C ATOM 37 O ALA A 4 -20.069 0.562 3.896 1.00 31.00 O ATOM 38 CB ALA A 4 -19.555 3.940 2.859 1.00 71.42 C ATOM 0 H ALA A 4 -17.212 3.271 2.640 1.00 40.34 H new ATOM 0 HA ALA A 4 -19.195 2.795 4.614 1.00 45.24 H new ATOM 0 HB1 ALA A 4 -20.623 4.027 3.057 1.00 71.42 H new ATOM 0 HB2 ALA A 4 -19.041 4.820 3.246 1.00 71.42 H new ATOM 0 HB3 ALA A 4 -19.390 3.867 1.784 1.00 71.42 H new ATOM 44 N PHE A 5 -19.897 1.319 1.771 1.00 54.34 N ATOM 45 CA PHE A 5 -20.554 0.161 1.188 1.00 42.53 C ATOM 46 C PHE A 5 -19.529 -0.880 0.733 1.00 53.53 C ATOM 47 O PHE A 5 -19.489 -1.990 1.261 1.00 62.01 O ATOM 48 CB PHE A 5 -21.333 0.657 -0.031 1.00 61.02 C ATOM 49 CG PHE A 5 -22.265 -0.392 -0.642 1.00 12.35 C ATOM 50 CD1 PHE A 5 -23.571 -0.444 -0.265 1.00 4.45 C ATOM 51 CD2 PHE A 5 -21.788 -1.271 -1.563 1.00 54.04 C ATOM 52 CE1 PHE A 5 -24.436 -1.416 -0.832 1.00 53.40 C ATOM 53 CE2 PHE A 5 -22.653 -2.245 -2.129 1.00 11.12 C ATOM 54 CZ PHE A 5 -23.959 -2.296 -1.752 1.00 14.11 C ATOM 0 H PHE A 5 -19.602 2.027 1.098 1.00 54.34 H new ATOM 0 HA PHE A 5 -21.206 -0.308 1.925 1.00 42.53 H new ATOM 0 HB2 PHE A 5 -21.922 1.528 0.256 1.00 61.02 H new ATOM 0 HB3 PHE A 5 -20.626 0.987 -0.792 1.00 61.02 H new ATOM 0 HD1 PHE A 5 -23.950 0.255 0.466 1.00 4.45 H new ATOM 0 HD2 PHE A 5 -20.752 -1.229 -1.864 1.00 54.04 H new ATOM 0 HE1 PHE A 5 -25.473 -1.457 -0.533 1.00 53.40 H new ATOM 0 HE2 PHE A 5 -22.274 -2.945 -2.859 1.00 11.12 H new ATOM 0 HZ PHE A 5 -24.617 -3.036 -2.184 1.00 14.11 H new ATOM 64 N GLY A 6 -18.723 -0.484 -0.242 1.00 74.12 N ATOM 65 CA GLY A 6 -17.701 -1.369 -0.773 1.00 55.04 C ATOM 66 C GLY A 6 -16.836 -0.648 -1.810 1.00 72.24 C ATOM 67 O GLY A 6 -15.610 -0.652 -1.711 1.00 1.24 O ATOM 0 H GLY A 6 -18.758 0.438 -0.678 1.00 74.12 H new ATOM 0 HA2 GLY A 6 -17.073 -1.734 0.040 1.00 55.04 H new ATOM 0 HA3 GLY A 6 -18.171 -2.241 -1.229 1.00 55.04 H new ATOM 71 N LEU A 7 -17.510 -0.048 -2.780 1.00 42.44 N ATOM 72 CA LEU A 7 -16.818 0.676 -3.834 1.00 61.21 C ATOM 73 C LEU A 7 -16.479 2.084 -3.342 1.00 64.45 C ATOM 74 O LEU A 7 -15.719 2.804 -3.986 1.00 41.32 O ATOM 75 CB LEU A 7 -17.640 0.657 -5.125 1.00 41.24 C ATOM 76 CG LEU A 7 -17.558 -0.627 -5.953 1.00 50.42 C ATOM 77 CD1 LEU A 7 -18.952 -1.098 -6.374 1.00 51.15 C ATOM 78 CD2 LEU A 7 -16.626 -0.447 -7.154 1.00 21.34 C ATOM 0 H LEU A 7 -18.527 -0.048 -2.859 1.00 42.44 H new ATOM 0 HA LEU A 7 -15.874 0.187 -4.076 1.00 61.21 H new ATOM 0 HB2 LEU A 7 -18.685 0.835 -4.870 1.00 41.24 H new ATOM 0 HB3 LEU A 7 -17.318 1.490 -5.750 1.00 41.24 H new ATOM 0 HG LEU A 7 -17.129 -1.410 -5.328 1.00 50.42 H new ATOM 0 HD11 LEU A 7 -18.865 -2.012 -6.961 1.00 51.15 H new ATOM 0 HD12 LEU A 7 -19.554 -1.293 -5.486 1.00 51.15 H new ATOM 0 HD13 LEU A 7 -19.431 -0.325 -6.975 1.00 51.15 H new ATOM 0 HD21 LEU A 7 -16.586 -1.374 -7.725 1.00 21.34 H new ATOM 0 HD22 LEU A 7 -17.002 0.355 -7.789 1.00 21.34 H new ATOM 0 HD23 LEU A 7 -15.626 -0.193 -6.803 1.00 21.34 H new ATOM 90 N LEU A 8 -17.060 2.435 -2.203 1.00 55.23 N ATOM 91 CA LEU A 8 -16.828 3.743 -1.617 1.00 3.51 C ATOM 92 C LEU A 8 -15.351 3.874 -1.240 1.00 24.21 C ATOM 93 O LEU A 8 -14.856 4.981 -1.032 1.00 62.54 O ATOM 94 CB LEU A 8 -17.785 3.984 -0.448 1.00 31.51 C ATOM 95 CG LEU A 8 -19.099 4.688 -0.791 1.00 64.45 C ATOM 96 CD1 LEU A 8 -18.875 6.182 -1.029 1.00 52.00 C ATOM 97 CD2 LEU A 8 -19.789 4.015 -1.979 1.00 51.44 C ATOM 0 H LEU A 8 -17.691 1.835 -1.671 1.00 55.23 H new ATOM 0 HA LEU A 8 -17.043 4.528 -2.342 1.00 3.51 H new ATOM 0 HB2 LEU A 8 -18.019 3.022 0.008 1.00 31.51 H new ATOM 0 HB3 LEU A 8 -17.265 4.576 0.305 1.00 31.51 H new ATOM 0 HG LEU A 8 -19.769 4.595 0.064 1.00 64.45 H new ATOM 0 HD11 LEU A 8 -19.825 6.658 -1.271 1.00 52.00 H new ATOM 0 HD12 LEU A 8 -18.461 6.636 -0.129 1.00 52.00 H new ATOM 0 HD13 LEU A 8 -18.179 6.318 -1.857 1.00 52.00 H new ATOM 0 HD21 LEU A 8 -20.721 4.536 -2.201 1.00 51.44 H new ATOM 0 HD22 LEU A 8 -19.135 4.054 -2.850 1.00 51.44 H new ATOM 0 HD23 LEU A 8 -20.004 2.975 -1.733 1.00 51.44 H new ATOM 109 N GLY A 9 -14.688 2.730 -1.164 1.00 63.55 N ATOM 110 CA GLY A 9 -13.278 2.703 -0.815 1.00 62.30 C ATOM 111 C GLY A 9 -12.713 1.286 -0.924 1.00 71.44 C ATOM 112 O GLY A 9 -12.122 0.774 0.026 1.00 34.32 O ATOM 0 H GLY A 9 -15.102 1.814 -1.338 1.00 63.55 H new ATOM 0 HA2 GLY A 9 -12.724 3.371 -1.474 1.00 62.30 H new ATOM 0 HA3 GLY A 9 -13.144 3.075 0.201 1.00 62.30 H new ATOM 116 N PHE A 10 -12.915 0.690 -2.090 1.00 23.34 N ATOM 117 CA PHE A 10 -12.433 -0.659 -2.336 1.00 23.55 C ATOM 118 C PHE A 10 -10.916 -0.672 -2.528 1.00 63.42 C ATOM 119 O PHE A 10 -10.235 -1.583 -2.058 1.00 2.20 O ATOM 120 CB PHE A 10 -13.103 -1.145 -3.623 1.00 55.34 C ATOM 121 CG PHE A 10 -13.460 -2.633 -3.615 1.00 45.45 C ATOM 122 CD1 PHE A 10 -14.757 -3.022 -3.736 1.00 24.24 C ATOM 123 CD2 PHE A 10 -12.479 -3.567 -3.486 1.00 65.31 C ATOM 124 CE1 PHE A 10 -15.089 -4.403 -3.727 1.00 1.15 C ATOM 125 CE2 PHE A 10 -12.811 -4.948 -3.478 1.00 42.01 C ATOM 126 CZ PHE A 10 -14.109 -5.336 -3.599 1.00 41.42 C ATOM 0 H PHE A 10 -13.406 1.117 -2.875 1.00 23.34 H new ATOM 0 HA PHE A 10 -12.670 -1.300 -1.487 1.00 23.55 H new ATOM 0 HB2 PHE A 10 -14.011 -0.565 -3.789 1.00 55.34 H new ATOM 0 HB3 PHE A 10 -12.439 -0.946 -4.464 1.00 55.34 H new ATOM 0 HD1 PHE A 10 -15.535 -2.280 -3.839 1.00 24.24 H new ATOM 0 HD2 PHE A 10 -11.448 -3.258 -3.390 1.00 65.31 H new ATOM 0 HE1 PHE A 10 -16.120 -4.712 -3.822 1.00 1.15 H new ATOM 0 HE2 PHE A 10 -12.033 -5.690 -3.376 1.00 42.01 H new ATOM 0 HZ PHE A 10 -14.361 -6.386 -3.593 1.00 41.42 H new ATOM 136 N LEU A 11 -10.429 0.348 -3.219 1.00 34.33 N ATOM 137 CA LEU A 11 -9.005 0.465 -3.479 1.00 11.04 C ATOM 138 C LEU A 11 -8.295 0.933 -2.207 1.00 72.33 C ATOM 139 O LEU A 11 -7.245 0.403 -1.847 1.00 20.24 O ATOM 140 CB LEU A 11 -8.753 1.366 -4.690 1.00 12.10 C ATOM 141 CG LEU A 11 -9.429 0.940 -5.994 1.00 13.14 C ATOM 142 CD1 LEU A 11 -9.536 -0.584 -6.085 1.00 51.42 C ATOM 143 CD2 LEU A 11 -10.791 1.621 -6.155 1.00 54.13 C ATOM 0 H LEU A 11 -10.996 1.102 -3.607 1.00 34.33 H new ATOM 0 HA LEU A 11 -8.585 -0.506 -3.740 1.00 11.04 H new ATOM 0 HB2 LEU A 11 -9.086 2.374 -4.444 1.00 12.10 H new ATOM 0 HB3 LEU A 11 -7.678 1.419 -4.861 1.00 12.10 H new ATOM 0 HG LEU A 11 -8.804 1.269 -6.825 1.00 13.14 H new ATOM 0 HD11 LEU A 11 -10.020 -0.859 -7.022 1.00 51.42 H new ATOM 0 HD12 LEU A 11 -8.538 -1.022 -6.050 1.00 51.42 H new ATOM 0 HD13 LEU A 11 -10.126 -0.958 -5.248 1.00 51.42 H new ATOM 0 HD21 LEU A 11 -11.250 1.300 -7.090 1.00 54.13 H new ATOM 0 HD22 LEU A 11 -11.436 1.345 -5.321 1.00 54.13 H new ATOM 0 HD23 LEU A 11 -10.658 2.703 -6.168 1.00 54.13 H new ATOM 155 N ALA A 12 -8.897 1.920 -1.561 1.00 32.35 N ATOM 156 CA ALA A 12 -8.337 2.465 -0.336 1.00 23.01 C ATOM 157 C ALA A 12 -8.104 1.330 0.663 1.00 54.12 C ATOM 158 O ALA A 12 -7.199 1.404 1.492 1.00 51.41 O ATOM 159 CB ALA A 12 -9.269 3.546 0.216 1.00 51.11 C ATOM 0 H ALA A 12 -9.768 2.357 -1.863 1.00 32.35 H new ATOM 0 HA ALA A 12 -7.373 2.935 -0.531 1.00 23.01 H new ATOM 0 HB1 ALA A 12 -8.848 3.954 1.135 1.00 51.11 H new ATOM 0 HB2 ALA A 12 -9.377 4.343 -0.519 1.00 51.11 H new ATOM 0 HB3 ALA A 12 -10.246 3.111 0.426 1.00 51.11 H new ATOM 165 N ALA A 13 -8.937 0.306 0.550 1.00 73.41 N ATOM 166 CA ALA A 13 -8.834 -0.844 1.433 1.00 64.42 C ATOM 167 C ALA A 13 -7.428 -1.438 1.326 1.00 61.23 C ATOM 168 O ALA A 13 -6.819 -1.787 2.337 1.00 64.20 O ATOM 169 CB ALA A 13 -9.925 -1.858 1.081 1.00 0.41 C ATOM 0 H ALA A 13 -9.686 0.248 -0.140 1.00 73.41 H new ATOM 0 HA ALA A 13 -8.989 -0.547 2.470 1.00 64.42 H new ATOM 0 HB1 ALA A 13 -9.848 -2.720 1.743 1.00 0.41 H new ATOM 0 HB2 ALA A 13 -10.904 -1.395 1.201 1.00 0.41 H new ATOM 0 HB3 ALA A 13 -9.801 -2.182 0.048 1.00 0.41 H new ATOM 175 N GLY A 14 -6.954 -1.536 0.094 1.00 13.13 N ATOM 176 CA GLY A 14 -5.631 -2.082 -0.158 1.00 0.12 C ATOM 177 C GLY A 14 -4.541 -1.134 0.345 1.00 42.31 C ATOM 178 O GLY A 14 -3.506 -1.578 0.839 1.00 74.53 O ATOM 0 H GLY A 14 -7.462 -1.247 -0.742 1.00 13.13 H new ATOM 0 HA2 GLY A 14 -5.533 -3.049 0.335 1.00 0.12 H new ATOM 0 HA3 GLY A 14 -5.503 -2.255 -1.227 1.00 0.12 H new ATOM 182 N SER A 15 -4.811 0.155 0.202 1.00 42.12 N ATOM 183 CA SER A 15 -3.866 1.170 0.637 1.00 61.22 C ATOM 184 C SER A 15 -3.597 1.027 2.136 1.00 25.13 C ATOM 185 O SER A 15 -2.617 1.566 2.649 1.00 22.41 O ATOM 186 CB SER A 15 -4.383 2.575 0.320 1.00 63.35 C ATOM 187 OG SER A 15 -3.582 3.587 0.925 1.00 64.24 O ATOM 0 H SER A 15 -5.670 0.520 -0.209 1.00 42.12 H new ATOM 0 HA SER A 15 -2.933 1.025 0.093 1.00 61.22 H new ATOM 0 HB2 SER A 15 -4.397 2.721 -0.760 1.00 63.35 H new ATOM 0 HB3 SER A 15 -5.412 2.670 0.668 1.00 63.35 H new ATOM 0 HG SER A 15 -3.943 4.469 0.698 1.00 64.24 H new ATOM 193 N LYS A 16 -4.486 0.300 2.797 1.00 43.14 N ATOM 194 CA LYS A 16 -4.356 0.080 4.229 1.00 35.04 C ATOM 195 C LYS A 16 -3.058 -0.680 4.508 1.00 32.12 C ATOM 196 O LYS A 16 -2.341 -0.362 5.455 1.00 42.22 O ATOM 197 CB LYS A 16 -5.606 -0.612 4.779 1.00 55.41 C ATOM 198 CG LYS A 16 -6.853 0.243 4.548 1.00 14.34 C ATOM 199 CD LYS A 16 -7.240 1.001 5.819 1.00 31.03 C ATOM 200 CE LYS A 16 -8.450 0.355 6.496 1.00 22.42 C ATOM 201 NZ LYS A 16 -9.706 0.970 6.010 1.00 74.34 N ATOM 0 H LYS A 16 -5.298 -0.144 2.369 1.00 43.14 H new ATOM 0 HA LYS A 16 -4.288 1.031 4.757 1.00 35.04 H new ATOM 0 HB2 LYS A 16 -5.731 -1.581 4.297 1.00 55.41 H new ATOM 0 HB3 LYS A 16 -5.482 -0.800 5.845 1.00 55.41 H new ATOM 0 HG2 LYS A 16 -6.669 0.951 3.740 1.00 14.34 H new ATOM 0 HG3 LYS A 16 -7.681 -0.392 4.233 1.00 14.34 H new ATOM 0 HD2 LYS A 16 -6.397 1.015 6.510 1.00 31.03 H new ATOM 0 HD3 LYS A 16 -7.467 2.038 5.573 1.00 31.03 H new ATOM 0 HE2 LYS A 16 -8.460 -0.716 6.292 1.00 22.42 H new ATOM 0 HE3 LYS A 16 -8.375 0.473 7.577 1.00 22.42 H new ATOM 0 HZ1 LYS A 16 -10.517 0.520 6.480 1.00 74.34 H new ATOM 0 HZ2 LYS A 16 -9.701 1.987 6.227 1.00 74.34 H new ATOM 0 HZ3 LYS A 16 -9.783 0.836 4.982 1.00 74.34 H new ATOM 214 N LYS A 17 -2.796 -1.669 3.667 1.00 73.13 N ATOM 215 CA LYS A 17 -1.597 -2.477 3.812 1.00 3.24 C ATOM 216 C LYS A 17 -0.606 -2.114 2.704 1.00 75.52 C ATOM 217 O LYS A 17 0.453 -1.550 2.973 1.00 73.14 O ATOM 218 CB LYS A 17 -1.954 -3.963 3.856 1.00 74.41 C ATOM 219 CG LYS A 17 -2.397 -4.380 5.260 1.00 53.23 C ATOM 220 CD LYS A 17 -3.920 -4.502 5.341 1.00 74.32 C ATOM 221 CE LYS A 17 -4.431 -4.084 6.721 1.00 41.14 C ATOM 222 NZ LYS A 17 -5.614 -4.889 7.101 1.00 40.22 N ATOM 0 H LYS A 17 -3.394 -1.929 2.882 1.00 73.13 H new ATOM 0 HA LYS A 17 -1.106 -2.264 4.762 1.00 3.24 H new ATOM 0 HB2 LYS A 17 -2.752 -4.170 3.143 1.00 74.41 H new ATOM 0 HB3 LYS A 17 -1.092 -4.557 3.552 1.00 74.41 H new ATOM 0 HG2 LYS A 17 -1.938 -5.333 5.522 1.00 53.23 H new ATOM 0 HG3 LYS A 17 -2.048 -3.647 5.988 1.00 53.23 H new ATOM 0 HD2 LYS A 17 -4.380 -3.878 4.575 1.00 74.32 H new ATOM 0 HD3 LYS A 17 -4.217 -5.530 5.135 1.00 74.32 H new ATOM 0 HE2 LYS A 17 -3.642 -4.214 7.462 1.00 41.14 H new ATOM 0 HE3 LYS A 17 -4.691 -3.025 6.714 1.00 41.14 H new ATOM 0 HZ1 LYS A 17 -5.948 -4.593 8.040 1.00 40.22 H new ATOM 0 HZ2 LYS A 17 -6.371 -4.745 6.403 1.00 40.22 H new ATOM 0 HZ3 LYS A 17 -5.355 -5.896 7.128 1.00 40.22 H new HETATM 235 C1 ACA A 18 1.448 -3.558 -5.251 1.00 10.14 C HETATM 236 O1 ACA A 18 2.471 -4.228 -5.121 1.00 73.34 O HETATM 237 C2 ACA A 18 1.351 -2.895 -3.931 1.00 41.34 C HETATM 238 C3 ACA A 18 0.782 -3.859 -2.888 1.00 32.01 C HETATM 239 C4 ACA A 18 -0.236 -3.156 -1.990 1.00 23.23 C HETATM 240 C5 ACA A 18 0.052 -3.432 -0.513 1.00 72.01 C HETATM 241 C6 ACA A 18 -0.145 -2.171 0.331 1.00 15.43 C HETATM 242 N6 ACA A 18 -0.986 -2.453 1.480 1.00 50.31 N HETATM 0 HN61 ACA A 18 -1.352 -3.394 1.626 1.00 50.31 H new HETATM 0 H62 ACA A 18 0.822 -1.795 0.665 1.00 15.43 H new HETATM 0 H61 ACA A 18 -0.599 -1.388 -0.276 1.00 15.43 H new HETATM 0 H52 ACA A 18 -0.607 -4.222 -0.152 1.00 72.01 H new HETATM 0 H51 ACA A 18 1.074 -3.793 -0.400 1.00 72.01 H new HETATM 0 H42 ACA A 18 -0.209 -2.082 -2.175 1.00 23.23 H new HETATM 0 H41 ACA A 18 -1.241 -3.497 -2.238 1.00 23.23 H new HETATM 0 H32 ACA A 18 0.309 -4.704 -3.388 1.00 32.01 H new HETATM 0 H31 ACA A 18 1.592 -4.262 -2.280 1.00 32.01 H new HETATM 0 H22 ACA A 18 2.336 -2.550 -3.617 1.00 41.34 H new HETATM 0 H21 ACA A 18 0.714 -2.014 -4.006 1.00 41.34 H new ATOM 254 N LYS A 19 0.280 -4.039 -5.652 1.00 45.55 N ATOM 255 CA LYS A 19 0.123 -5.446 -5.977 1.00 44.32 C ATOM 256 C LYS A 19 0.671 -5.705 -7.382 1.00 72.13 C ATOM 257 O LYS A 19 1.694 -6.369 -7.539 1.00 11.43 O ATOM 258 CB LYS A 19 -1.334 -5.878 -5.795 1.00 55.03 C ATOM 259 CG LYS A 19 -1.847 -5.504 -4.403 1.00 23.24 C ATOM 260 CD LYS A 19 -3.306 -5.927 -4.225 1.00 24.53 C ATOM 261 CE LYS A 19 -4.258 -4.816 -4.675 1.00 22.23 C ATOM 262 NZ LYS A 19 -5.654 -5.307 -4.696 1.00 45.24 N ATOM 0 HA LYS A 19 0.703 -6.063 -5.290 1.00 44.32 H new ATOM 0 HB2 LYS A 19 -1.955 -5.404 -6.555 1.00 55.03 H new ATOM 0 HB3 LYS A 19 -1.419 -6.955 -5.940 1.00 55.03 H new ATOM 0 HG2 LYS A 19 -1.230 -5.984 -3.643 1.00 23.24 H new ATOM 0 HG3 LYS A 19 -1.756 -4.428 -4.255 1.00 23.24 H new ATOM 0 HD2 LYS A 19 -3.499 -6.832 -4.801 1.00 24.53 H new ATOM 0 HD3 LYS A 19 -3.493 -6.170 -3.179 1.00 24.53 H new ATOM 0 HE2 LYS A 19 -4.176 -3.964 -4.001 1.00 22.23 H new ATOM 0 HE3 LYS A 19 -3.974 -4.466 -5.667 1.00 22.23 H new ATOM 0 HZ1 LYS A 19 -6.287 -4.541 -5.003 1.00 45.24 H new ATOM 0 HZ2 LYS A 19 -5.731 -6.106 -5.357 1.00 45.24 H new ATOM 0 HZ3 LYS A 19 -5.927 -5.619 -3.742 1.00 45.24 H new ATOM 275 N ASN A 20 -0.035 -5.168 -8.365 1.00 52.21 N ATOM 276 CA ASN A 20 0.368 -5.333 -9.752 1.00 63.51 C ATOM 277 C ASN A 20 1.245 -4.151 -10.168 1.00 60.22 C ATOM 278 O ASN A 20 1.067 -3.038 -9.674 1.00 13.31 O ATOM 279 CB ASN A 20 -0.849 -5.368 -10.678 1.00 10.14 C ATOM 280 CG ASN A 20 -1.833 -6.460 -10.251 1.00 24.10 C ATOM 281 OD1 ASN A 20 -2.384 -6.443 -9.163 1.00 41.01 O ATOM 282 ND2 ASN A 20 -2.022 -7.406 -11.167 1.00 64.33 N ATOM 0 H ASN A 20 -0.883 -4.618 -8.230 1.00 52.21 H new ATOM 0 HA ASN A 20 0.912 -6.274 -9.836 1.00 63.51 H new ATOM 0 HB2 ASN A 20 -1.348 -4.399 -10.665 1.00 10.14 H new ATOM 0 HB3 ASN A 20 -0.525 -5.546 -11.703 1.00 10.14 H new ATOM 0 HD21 ASN A 20 -2.661 -8.178 -10.978 1.00 64.33 H new ATOM 0 HD22 ASN A 20 -1.528 -7.359 -12.058 1.00 64.33 H new ATOM 289 N GLU A 21 2.172 -4.432 -11.072 1.00 70.35 N ATOM 290 CA GLU A 21 3.077 -3.405 -11.560 1.00 62.44 C ATOM 291 C GLU A 21 2.286 -2.204 -12.079 1.00 20.03 C ATOM 292 O GLU A 21 2.685 -1.058 -11.876 1.00 41.31 O ATOM 293 CB GLU A 21 4.004 -3.961 -12.643 1.00 73.31 C ATOM 294 CG GLU A 21 3.207 -4.409 -13.869 1.00 31.24 C ATOM 295 CD GLU A 21 4.086 -5.209 -14.832 1.00 13.24 C ATOM 296 OE1 GLU A 21 4.975 -5.950 -14.389 1.00 52.43 O ATOM 297 OE2 GLU A 21 3.816 -5.043 -16.084 1.00 65.13 O ATOM 0 H GLU A 21 2.316 -5.356 -11.479 1.00 70.35 H new ATOM 0 HA GLU A 21 3.700 -3.073 -10.730 1.00 62.44 H new ATOM 0 HB2 GLU A 21 4.728 -3.199 -12.934 1.00 73.31 H new ATOM 0 HB3 GLU A 21 4.570 -4.803 -12.245 1.00 73.31 H new ATOM 0 HG2 GLU A 21 2.359 -5.018 -13.554 1.00 31.24 H new ATOM 0 HG3 GLU A 21 2.800 -3.537 -14.381 1.00 31.24 H new ATOM 305 N GLN A 22 1.177 -2.506 -12.739 1.00 44.33 N ATOM 306 CA GLN A 22 0.326 -1.464 -13.289 1.00 71.32 C ATOM 307 C GLN A 22 0.163 -0.324 -12.281 1.00 73.32 C ATOM 308 O GLN A 22 0.438 0.833 -12.596 1.00 33.32 O ATOM 309 CB GLN A 22 -1.034 -2.028 -13.702 1.00 33.22 C ATOM 310 CG GLN A 22 -0.889 -3.012 -14.866 1.00 23.21 C ATOM 311 CD GLN A 22 -1.904 -4.151 -14.751 1.00 60.13 C ATOM 312 OE1 GLN A 22 -3.105 -3.959 -14.850 1.00 13.13 O ATOM 313 NE2 GLN A 22 -1.356 -5.344 -14.536 1.00 21.15 N ATOM 0 H GLN A 22 0.848 -3.457 -12.905 1.00 44.33 H new ATOM 0 HA GLN A 22 0.805 -1.066 -14.184 1.00 71.32 H new ATOM 0 HB2 GLN A 22 -1.497 -2.530 -12.852 1.00 33.22 H new ATOM 0 HB3 GLN A 22 -1.697 -1.213 -13.991 1.00 33.22 H new ATOM 0 HG2 GLN A 22 -1.032 -2.487 -15.811 1.00 23.21 H new ATOM 0 HG3 GLN A 22 0.122 -3.420 -14.878 1.00 23.21 H new ATOM 0 HE21 GLN A 22 -0.343 -5.434 -14.464 1.00 21.15 H new ATOM 0 HE22 GLN A 22 -1.949 -6.169 -14.444 1.00 21.15 H new ATOM 322 N GLU A 23 -0.283 -0.692 -11.088 1.00 4.12 N ATOM 323 CA GLU A 23 -0.486 0.286 -10.032 1.00 32.40 C ATOM 324 C GLU A 23 0.723 1.219 -9.933 1.00 72.45 C ATOM 325 O GLU A 23 0.567 2.426 -9.758 1.00 43.15 O ATOM 326 CB GLU A 23 -0.760 -0.403 -8.694 1.00 41.52 C ATOM 327 CG GLU A 23 -1.441 0.555 -7.714 1.00 51.33 C ATOM 328 CD GLU A 23 -0.693 0.596 -6.378 1.00 35.33 C ATOM 329 OE1 GLU A 23 0.496 0.249 -6.323 1.00 31.45 O ATOM 330 OE2 GLU A 23 -1.392 1.007 -5.376 1.00 62.33 O ATOM 0 H GLU A 23 -0.509 -1.653 -10.830 1.00 4.12 H new ATOM 0 HA GLU A 23 -1.362 0.885 -10.280 1.00 32.40 H new ATOM 0 HB2 GLU A 23 -1.392 -1.276 -8.853 1.00 41.52 H new ATOM 0 HB3 GLU A 23 0.177 -0.761 -8.267 1.00 41.52 H new ATOM 0 HG2 GLU A 23 -1.479 1.556 -8.145 1.00 51.33 H new ATOM 0 HG3 GLU A 23 -2.471 0.240 -7.549 1.00 51.33 H new ATOM 338 N LEU A 24 1.901 0.623 -10.048 1.00 73.42 N ATOM 339 CA LEU A 24 3.136 1.385 -9.974 1.00 63.20 C ATOM 340 C LEU A 24 3.203 2.355 -11.155 1.00 43.02 C ATOM 341 O LEU A 24 3.508 3.534 -10.978 1.00 75.41 O ATOM 342 CB LEU A 24 4.339 0.447 -9.878 1.00 53.22 C ATOM 343 CG LEU A 24 5.501 0.931 -9.008 1.00 71.11 C ATOM 344 CD1 LEU A 24 5.878 2.373 -9.351 1.00 64.30 C ATOM 345 CD2 LEU A 24 5.181 0.760 -7.522 1.00 22.50 C ATOM 0 H LEU A 24 2.026 -0.379 -10.192 1.00 73.42 H new ATOM 0 HA LEU A 24 3.159 1.987 -9.066 1.00 63.20 H new ATOM 0 HB2 LEU A 24 3.996 -0.512 -9.490 1.00 53.22 H new ATOM 0 HB3 LEU A 24 4.716 0.268 -10.885 1.00 53.22 H new ATOM 0 HG LEU A 24 6.371 0.311 -9.223 1.00 71.11 H new ATOM 0 HD11 LEU A 24 6.706 2.693 -8.719 1.00 64.30 H new ATOM 0 HD12 LEU A 24 6.177 2.432 -10.398 1.00 64.30 H new ATOM 0 HD13 LEU A 24 5.020 3.024 -9.182 1.00 64.30 H new ATOM 0 HD21 LEU A 24 6.023 1.111 -6.926 1.00 22.50 H new ATOM 0 HD22 LEU A 24 4.292 1.340 -7.272 1.00 22.50 H new ATOM 0 HD23 LEU A 24 4.999 -0.293 -7.308 1.00 22.50 H new ATOM 357 N LEU A 25 2.914 1.823 -12.333 1.00 53.54 N ATOM 358 CA LEU A 25 2.940 2.627 -13.543 1.00 11.15 C ATOM 359 C LEU A 25 1.537 3.173 -13.816 1.00 44.32 C ATOM 360 O LEU A 25 1.186 3.448 -14.962 1.00 31.21 O ATOM 361 CB LEU A 25 3.523 1.824 -14.708 1.00 43.45 C ATOM 362 CG LEU A 25 4.845 1.103 -14.430 1.00 20.55 C ATOM 363 CD1 LEU A 25 5.629 1.805 -13.320 1.00 34.12 C ATOM 364 CD2 LEU A 25 4.607 -0.375 -14.118 1.00 63.43 C ATOM 0 H LEU A 25 2.661 0.845 -12.476 1.00 53.54 H new ATOM 0 HA LEU A 25 3.599 3.486 -13.416 1.00 11.15 H new ATOM 0 HB2 LEU A 25 2.786 1.083 -15.018 1.00 43.45 H new ATOM 0 HB3 LEU A 25 3.670 2.499 -15.551 1.00 43.45 H new ATOM 0 HG LEU A 25 5.455 1.147 -15.332 1.00 20.55 H new ATOM 0 HD11 LEU A 25 6.564 1.273 -13.142 1.00 34.12 H new ATOM 0 HD12 LEU A 25 5.846 2.830 -13.620 1.00 34.12 H new ATOM 0 HD13 LEU A 25 5.036 1.813 -12.405 1.00 34.12 H new ATOM 0 HD21 LEU A 25 5.562 -0.864 -13.924 1.00 63.43 H new ATOM 0 HD22 LEU A 25 3.969 -0.463 -13.239 1.00 63.43 H new ATOM 0 HD23 LEU A 25 4.120 -0.853 -14.968 1.00 63.43 H new ATOM 376 N GLU A 26 0.773 3.316 -12.743 1.00 52.42 N ATOM 377 CA GLU A 26 -0.583 3.826 -12.852 1.00 61.51 C ATOM 378 C GLU A 26 -0.574 5.238 -13.440 1.00 64.14 C ATOM 379 O GLU A 26 -1.421 5.576 -14.265 1.00 3.40 O ATOM 380 CB GLU A 26 -1.289 3.801 -11.494 1.00 13.54 C ATOM 381 CG GLU A 26 -2.767 4.172 -11.637 1.00 41.42 C ATOM 382 CD GLU A 26 -3.286 4.852 -10.368 1.00 14.42 C ATOM 383 OE1 GLU A 26 -2.641 4.768 -9.312 1.00 21.52 O ATOM 384 OE2 GLU A 26 -4.400 5.487 -10.508 1.00 70.33 O ATOM 0 H GLU A 26 1.068 3.087 -11.794 1.00 52.42 H new ATOM 0 HA GLU A 26 -1.141 3.177 -13.527 1.00 61.51 H new ATOM 0 HB2 GLU A 26 -1.201 2.808 -11.052 1.00 13.54 H new ATOM 0 HB3 GLU A 26 -0.800 4.497 -10.813 1.00 13.54 H new ATOM 0 HG2 GLU A 26 -2.898 4.838 -12.490 1.00 41.42 H new ATOM 0 HG3 GLU A 26 -3.353 3.275 -11.839 1.00 41.42 H new ATOM 392 N LEU A 27 0.392 6.025 -12.989 1.00 15.32 N ATOM 393 CA LEU A 27 0.523 7.393 -13.462 1.00 65.34 C ATOM 394 C LEU A 27 1.264 7.399 -14.799 1.00 11.34 C ATOM 395 O LEU A 27 1.061 8.290 -15.622 1.00 22.25 O ATOM 396 CB LEU A 27 1.178 8.268 -12.391 1.00 11.41 C ATOM 397 CG LEU A 27 0.358 8.505 -11.122 1.00 61.35 C ATOM 398 CD1 LEU A 27 -0.213 9.924 -11.094 1.00 30.34 C ATOM 399 CD2 LEU A 27 -0.735 7.444 -10.970 1.00 21.12 C ATOM 0 H LEU A 27 1.091 5.742 -12.302 1.00 15.32 H new ATOM 0 HA LEU A 27 -0.459 7.830 -13.642 1.00 65.34 H new ATOM 0 HB2 LEU A 27 2.126 7.811 -12.107 1.00 11.41 H new ATOM 0 HB3 LEU A 27 1.412 9.236 -12.834 1.00 11.41 H new ATOM 0 HG LEU A 27 1.022 8.409 -10.263 1.00 61.35 H new ATOM 0 HD11 LEU A 27 -0.792 10.065 -10.181 1.00 30.34 H new ATOM 0 HD12 LEU A 27 0.604 10.645 -11.121 1.00 30.34 H new ATOM 0 HD13 LEU A 27 -0.859 10.074 -11.959 1.00 30.34 H new ATOM 0 HD21 LEU A 27 -1.304 7.635 -10.060 1.00 21.12 H new ATOM 0 HD22 LEU A 27 -1.403 7.484 -11.830 1.00 21.12 H new ATOM 0 HD23 LEU A 27 -0.278 6.456 -10.911 1.00 21.12 H new ATOM 411 N ASP A 28 2.109 6.394 -14.976 1.00 53.32 N ATOM 412 CA ASP A 28 2.882 6.272 -16.201 1.00 62.25 C ATOM 413 C ASP A 28 1.929 6.082 -17.382 1.00 10.42 C ATOM 414 O ASP A 28 2.302 6.326 -18.529 1.00 61.10 O ATOM 415 CB ASP A 28 3.814 5.060 -16.144 1.00 50.50 C ATOM 416 CG ASP A 28 5.212 5.293 -16.720 1.00 41.22 C ATOM 417 OD1 ASP A 28 5.760 4.440 -17.434 1.00 43.04 O ATOM 418 OD2 ASP A 28 5.751 6.421 -16.403 1.00 23.03 O ATOM 0 H ASP A 28 2.276 5.656 -14.292 1.00 53.32 H new ATOM 0 HA ASP A 28 3.476 7.178 -16.318 1.00 62.25 H new ATOM 0 HB2 ASP A 28 3.913 4.745 -15.105 1.00 50.50 H new ATOM 0 HB3 ASP A 28 3.348 4.236 -16.684 1.00 50.50 H new ATOM 424 N LYS A 29 0.719 5.649 -17.063 1.00 72.45 N ATOM 425 CA LYS A 29 -0.289 5.424 -18.084 1.00 61.32 C ATOM 426 C LYS A 29 -0.892 6.766 -18.505 1.00 50.41 C ATOM 427 O LYS A 29 -1.760 6.815 -19.375 1.00 64.40 O ATOM 428 CB LYS A 29 -1.327 4.410 -17.598 1.00 53.12 C ATOM 429 CG LYS A 29 -0.691 3.034 -17.384 1.00 2.04 C ATOM 430 CD LYS A 29 -0.830 2.166 -18.636 1.00 53.42 C ATOM 431 CE LYS A 29 -0.403 0.724 -18.354 1.00 45.25 C ATOM 432 NZ LYS A 29 0.927 0.452 -18.945 1.00 32.03 N ATOM 0 H LYS A 29 0.414 5.448 -16.111 1.00 72.45 H new ATOM 0 HA LYS A 29 0.162 4.984 -18.973 1.00 61.32 H new ATOM 0 HB2 LYS A 29 -1.772 4.758 -16.666 1.00 53.12 H new ATOM 0 HB3 LYS A 29 -2.134 4.332 -18.327 1.00 53.12 H new ATOM 0 HG2 LYS A 29 0.363 3.152 -17.134 1.00 2.04 H new ATOM 0 HG3 LYS A 29 -1.166 2.537 -16.538 1.00 2.04 H new ATOM 0 HD2 LYS A 29 -1.864 2.182 -18.981 1.00 53.42 H new ATOM 0 HD3 LYS A 29 -0.220 2.579 -19.439 1.00 53.42 H new ATOM 0 HE2 LYS A 29 -0.372 0.552 -17.278 1.00 45.25 H new ATOM 0 HE3 LYS A 29 -1.139 0.033 -18.766 1.00 45.25 H new ATOM 0 HZ1 LYS A 29 1.202 -0.531 -18.744 1.00 32.03 H new ATOM 0 HZ2 LYS A 29 0.886 0.597 -19.974 1.00 32.03 H new ATOM 0 HZ3 LYS A 29 1.629 1.099 -18.532 1.00 32.03 H new ATOM 445 N TRP A 30 -0.406 7.821 -17.868 1.00 0.51 N ATOM 446 CA TRP A 30 -0.885 9.160 -18.166 1.00 10.11 C ATOM 447 C TRP A 30 -1.045 9.280 -19.683 1.00 53.03 C ATOM 448 O TRP A 30 -2.107 9.661 -20.171 1.00 3.01 O ATOM 449 CB TRP A 30 0.048 10.220 -17.578 1.00 11.35 C ATOM 450 CG TRP A 30 -0.305 10.638 -16.149 1.00 43.02 C ATOM 451 CD1 TRP A 30 0.507 10.710 -15.086 1.00 53.12 C ATOM 452 CD2 TRP A 30 -1.605 11.041 -15.668 1.00 54.03 C ATOM 453 NE1 TRP A 30 -0.172 11.127 -13.959 1.00 1.20 N ATOM 454 CE2 TRP A 30 -1.496 11.335 -14.324 1.00 24.20 C ATOM 455 CE3 TRP A 30 -2.831 11.153 -16.346 1.00 22.33 C ATOM 456 CZ2 TRP A 30 -2.577 11.761 -13.543 1.00 3.43 C ATOM 457 CZ3 TRP A 30 -3.902 11.580 -15.551 1.00 50.42 C ATOM 458 CH2 TRP A 30 -3.810 11.880 -14.197 1.00 0.41 C ATOM 0 H TRP A 30 0.314 7.776 -17.147 1.00 0.51 H new ATOM 0 HA TRP A 30 -1.855 9.334 -17.699 1.00 10.11 H new ATOM 0 HB2 TRP A 30 1.069 9.838 -17.592 1.00 11.35 H new ATOM 0 HB3 TRP A 30 0.029 11.102 -18.219 1.00 11.35 H new ATOM 0 HD1 TRP A 30 1.560 10.472 -15.108 1.00 53.12 H new ATOM 0 HE1 TRP A 30 0.225 11.258 -13.029 1.00 1.20 H new ATOM 0 HE3 TRP A 30 -2.939 10.928 -17.397 1.00 22.33 H new ATOM 0 HZ2 TRP A 30 -2.466 11.986 -12.492 1.00 3.43 H new ATOM 0 HZ3 TRP A 30 -4.868 11.683 -16.023 1.00 50.42 H new ATOM 0 HH2 TRP A 30 -4.685 12.203 -13.652 1.00 0.41 H new ATOM 469 N ALA A 31 0.027 8.945 -20.386 1.00 1.24 N ATOM 470 CA ALA A 31 0.020 9.009 -21.838 1.00 1.43 C ATOM 471 C ALA A 31 -0.870 7.894 -22.390 1.00 71.53 C ATOM 472 O ALA A 31 -1.683 8.127 -23.283 1.00 42.13 O ATOM 473 CB ALA A 31 1.455 8.923 -22.361 1.00 64.44 C ATOM 0 H ALA A 31 0.906 8.628 -19.977 1.00 1.24 H new ATOM 0 HA ALA A 31 -0.394 9.959 -22.177 1.00 1.43 H new ATOM 0 HB1 ALA A 31 1.449 8.971 -23.450 1.00 64.44 H new ATOM 0 HB2 ALA A 31 2.037 9.755 -21.964 1.00 64.44 H new ATOM 0 HB3 ALA A 31 1.903 7.982 -22.042 1.00 64.44 H new ATOM 479 N SER A 32 -0.686 6.705 -21.834 1.00 43.12 N ATOM 480 CA SER A 32 -1.461 5.552 -22.259 1.00 21.53 C ATOM 481 C SER A 32 -2.928 5.947 -22.443 1.00 2.20 C ATOM 482 O SER A 32 -3.635 5.361 -23.262 1.00 44.31 O ATOM 483 CB SER A 32 -1.343 4.407 -21.251 1.00 33.42 C ATOM 484 OG SER A 32 -1.741 3.159 -21.812 1.00 13.05 O ATOM 0 H SER A 32 -0.011 6.516 -21.093 1.00 43.12 H new ATOM 0 HA SER A 32 -1.062 5.204 -23.212 1.00 21.53 H new ATOM 0 HB2 SER A 32 -0.313 4.336 -20.902 1.00 33.42 H new ATOM 0 HB3 SER A 32 -1.960 4.626 -20.380 1.00 33.42 H new ATOM 0 HG SER A 32 -1.364 2.427 -21.281 1.00 13.05 H new ATOM 490 N LEU A 33 -3.342 6.939 -21.666 1.00 33.54 N ATOM 491 CA LEU A 33 -4.712 7.419 -21.733 1.00 33.45 C ATOM 492 C LEU A 33 -5.070 7.725 -23.190 1.00 5.23 C ATOM 493 O LEU A 33 -6.005 7.144 -23.738 1.00 0.43 O ATOM 494 CB LEU A 33 -4.911 8.606 -20.789 1.00 42.12 C ATOM 495 CG LEU A 33 -6.360 9.023 -20.533 1.00 24.44 C ATOM 496 CD1 LEU A 33 -6.692 10.327 -21.262 1.00 51.31 C ATOM 497 CD2 LEU A 33 -7.328 7.898 -20.900 1.00 33.43 C ATOM 0 H LEU A 33 -2.753 7.422 -20.988 1.00 33.54 H new ATOM 0 HA LEU A 33 -5.403 6.649 -21.389 1.00 33.45 H new ATOM 0 HB2 LEU A 33 -4.449 8.365 -19.832 1.00 42.12 H new ATOM 0 HB3 LEU A 33 -4.374 9.463 -21.196 1.00 42.12 H new ATOM 0 HG LEU A 33 -6.478 9.212 -19.466 1.00 24.44 H new ATOM 0 HD11 LEU A 33 -7.728 10.601 -21.063 1.00 51.31 H new ATOM 0 HD12 LEU A 33 -6.033 11.120 -20.908 1.00 51.31 H new ATOM 0 HD13 LEU A 33 -6.552 10.190 -22.334 1.00 51.31 H new ATOM 0 HD21 LEU A 33 -8.351 8.221 -20.708 1.00 33.43 H new ATOM 0 HD22 LEU A 33 -7.217 7.653 -21.956 1.00 33.43 H new ATOM 0 HD23 LEU A 33 -7.107 7.017 -20.298 1.00 33.43 H new ATOM 509 N TRP A 34 -4.307 8.638 -23.774 1.00 70.13 N ATOM 510 CA TRP A 34 -4.532 9.029 -25.155 1.00 75.11 C ATOM 511 C TRP A 34 -3.579 8.217 -26.036 1.00 3.54 C ATOM 512 O TRP A 34 -4.013 7.549 -26.974 1.00 44.14 O ATOM 513 CB TRP A 34 -4.369 10.540 -25.331 1.00 72.32 C ATOM 514 CG TRP A 34 -2.997 11.070 -24.910 1.00 3.34 C ATOM 515 CD1 TRP A 34 -1.917 11.265 -25.679 1.00 1.24 C ATOM 516 CD2 TRP A 34 -2.600 11.470 -23.582 1.00 14.23 C ATOM 517 NE1 TRP A 34 -0.857 11.759 -24.947 1.00 62.12 N ATOM 518 CE2 TRP A 34 -1.285 11.888 -23.631 1.00 42.01 C ATOM 519 CE3 TRP A 34 -3.327 11.479 -22.379 1.00 71.10 C ATOM 520 CZ2 TRP A 34 -0.583 12.344 -22.509 1.00 22.31 C ATOM 521 CZ3 TRP A 34 -2.611 11.937 -21.266 1.00 24.14 C ATOM 522 CH2 TRP A 34 -1.288 12.361 -21.299 1.00 52.20 C ATOM 0 H TRP A 34 -3.532 9.118 -23.316 1.00 70.13 H new ATOM 0 HA TRP A 34 -5.557 8.811 -25.456 1.00 75.11 H new ATOM 0 HB2 TRP A 34 -4.540 10.794 -26.377 1.00 72.32 H new ATOM 0 HB3 TRP A 34 -5.138 11.048 -24.749 1.00 72.32 H new ATOM 0 HD1 TRP A 34 -1.881 11.061 -26.739 1.00 1.24 H new ATOM 0 HE1 TRP A 34 0.070 11.987 -25.306 1.00 62.12 H new ATOM 0 HE3 TRP A 34 -4.356 11.158 -22.318 1.00 71.10 H new ATOM 0 HZ2 TRP A 34 0.446 12.665 -22.573 1.00 22.31 H new ATOM 0 HZ3 TRP A 34 -3.123 11.962 -20.315 1.00 24.14 H new ATOM 0 HH2 TRP A 34 -0.805 12.702 -20.395 1.00 52.20 H new ATOM 533 N ASN A 35 -2.299 8.305 -25.705 1.00 32.40 N ATOM 534 CA ASN A 35 -1.282 7.587 -26.454 1.00 51.32 C ATOM 535 C ASN A 35 -1.488 6.082 -26.274 1.00 41.04 C ATOM 536 O ASN A 35 -1.952 5.402 -27.187 1.00 74.22 O ATOM 537 CB ASN A 35 0.121 7.937 -25.953 1.00 72.24 C ATOM 538 CG ASN A 35 0.676 9.161 -26.683 1.00 34.33 C ATOM 539 OD1 ASN A 35 0.378 9.413 -27.839 1.00 41.20 O ATOM 540 ND2 ASN A 35 1.497 9.904 -25.948 1.00 24.40 N ATOM 0 H ASN A 35 -1.943 8.862 -24.928 1.00 32.40 H new ATOM 0 HA ASN A 35 -1.372 7.872 -27.502 1.00 51.32 H new ATOM 0 HB2 ASN A 35 0.090 8.132 -24.881 1.00 72.24 H new ATOM 0 HB3 ASN A 35 0.787 7.087 -26.103 1.00 72.24 H new ATOM 0 HD21 ASN A 35 1.920 10.743 -26.346 1.00 24.40 H new ATOM 0 HD22 ASN A 35 1.704 9.636 -24.986 1.00 24.40 H new TER 547 ASN A 35