USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 293 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+ 166:sc= 0 (180deg=-0.171) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0413) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.819 -1.004 -4.223 1.00 3.32 N ATOM 2 CA LYS A 1 -2.362 -1.067 -4.207 1.00 10.22 C ATOM 3 C LYS A 1 -1.882 -2.494 -3.963 1.00 1.24 C ATOM 4 O LYS A 1 -1.480 -2.843 -2.853 1.00 32.55 O ATOM 5 CB LYS A 1 -1.803 -0.137 -3.127 1.00 64.34 C ATOM 6 CG LYS A 1 -2.489 -0.287 -1.781 1.00 23.15 C ATOM 7 CD LYS A 1 -1.530 -0.014 -0.633 1.00 74.42 C ATOM 8 CE LYS A 1 -2.246 0.614 0.553 1.00 44.11 C ATOM 9 NZ LYS A 1 -1.350 1.520 1.324 1.00 52.20 N ATOM 0 H1 LYS A 1 -4.124 -0.012 -4.152 1.00 3.32 H new ATOM 0 H2 LYS A 1 -4.174 -1.413 -5.111 1.00 3.32 H new ATOM 0 H3 LYS A 1 -4.199 -1.542 -3.418 1.00 3.32 H new ATOM 0 HA LYS A 1 -1.998 -0.742 -5.182 1.00 10.22 H new ATOM 0 HB2 LYS A 1 -0.738 -0.333 -3.006 1.00 64.34 H new ATOM 0 HB3 LYS A 1 -1.901 0.896 -3.462 1.00 64.34 H new ATOM 0 HG2 LYS A 1 -3.333 0.401 -1.723 1.00 23.15 H new ATOM 0 HG3 LYS A 1 -2.892 -1.295 -1.687 1.00 23.15 H new ATOM 0 HD2 LYS A 1 -1.058 -0.946 -0.322 1.00 74.42 H new ATOM 0 HD3 LYS A 1 -0.734 0.649 -0.972 1.00 74.42 H new ATOM 0 HE2 LYS A 1 -3.112 1.174 0.200 1.00 44.11 H new ATOM 0 HE3 LYS A 1 -2.620 -0.172 1.209 1.00 44.11 H new ATOM 0 HZ1 LYS A 1 -1.874 1.928 2.124 1.00 52.20 H new ATOM 0 HZ2 LYS A 1 -0.536 0.981 1.683 1.00 52.20 H new ATOM 0 HZ3 LYS A 1 -1.013 2.284 0.705 1.00 52.20 H new ATOM 23 N LYS A 2 -1.925 -3.314 -5.007 1.00 23.43 N ATOM 24 CA LYS A 2 -1.492 -4.703 -4.907 1.00 64.13 C ATOM 25 C LYS A 2 0.022 -4.790 -4.738 1.00 72.31 C ATOM 26 O LYS A 2 0.519 -5.540 -3.898 1.00 5.54 O ATOM 27 CB LYS A 2 -1.922 -5.484 -6.151 1.00 51.53 C ATOM 28 CG LYS A 2 -3.429 -5.584 -6.315 1.00 22.31 C ATOM 29 CD LYS A 2 -3.836 -5.522 -7.777 1.00 74.24 C ATOM 30 CE LYS A 2 -3.486 -6.809 -8.509 1.00 4.22 C ATOM 31 NZ LYS A 2 -2.377 -6.609 -9.483 1.00 1.43 N ATOM 0 H LYS A 2 -2.255 -3.041 -5.933 1.00 23.43 H new ATOM 0 HA LYS A 2 -1.964 -5.142 -4.028 1.00 64.13 H new ATOM 0 HB2 LYS A 2 -1.500 -5.005 -7.034 1.00 51.53 H new ATOM 0 HB3 LYS A 2 -1.503 -6.489 -6.102 1.00 51.53 H new ATOM 0 HG2 LYS A 2 -3.782 -6.518 -5.877 1.00 22.31 H new ATOM 0 HG3 LYS A 2 -3.910 -4.773 -5.768 1.00 22.31 H new ATOM 0 HD2 LYS A 2 -4.908 -5.341 -7.850 1.00 74.24 H new ATOM 0 HD3 LYS A 2 -3.337 -4.681 -8.259 1.00 74.24 H new ATOM 0 HE2 LYS A 2 -3.200 -7.572 -7.785 1.00 4.22 H new ATOM 0 HE3 LYS A 2 -4.367 -7.180 -9.033 1.00 4.22 H new ATOM 0 HZ1 LYS A 2 -2.168 -7.509 -9.961 1.00 1.43 H new ATOM 0 HZ2 LYS A 2 -2.659 -5.899 -10.189 1.00 1.43 H new ATOM 0 HZ3 LYS A 2 -1.528 -6.279 -8.980 1.00 1.43 H new ATOM 45 N TRP A 3 0.747 -4.019 -5.540 1.00 23.40 N ATOM 46 CA TRP A 3 2.204 -4.009 -5.477 1.00 64.12 C ATOM 47 C TRP A 3 2.767 -5.415 -5.658 1.00 0.35 C ATOM 48 O TRP A 3 3.588 -5.871 -4.863 1.00 71.52 O ATOM 49 CB TRP A 3 2.674 -3.426 -4.144 1.00 12.35 C ATOM 50 CG TRP A 3 2.584 -1.931 -4.085 1.00 14.25 C ATOM 51 CD1 TRP A 3 2.749 -1.058 -5.122 1.00 21.11 C ATOM 52 CD2 TRP A 3 2.308 -1.134 -2.927 1.00 43.13 C ATOM 53 NE1 TRP A 3 2.593 0.233 -4.679 1.00 43.42 N ATOM 54 CE2 TRP A 3 2.321 0.214 -3.337 1.00 24.22 C ATOM 55 CE3 TRP A 3 2.050 -1.428 -1.586 1.00 0.43 C ATOM 56 CZ2 TRP A 3 2.087 1.263 -2.452 1.00 24.23 C ATOM 57 CZ3 TRP A 3 1.818 -0.385 -0.708 1.00 63.44 C ATOM 58 CH2 TRP A 3 1.837 0.946 -1.144 1.00 44.30 C ATOM 0 H TRP A 3 0.350 -3.393 -6.241 1.00 23.40 H new ATOM 0 HA TRP A 3 2.573 -3.383 -6.289 1.00 64.12 H new ATOM 0 HB2 TRP A 3 2.075 -3.851 -3.338 1.00 12.35 H new ATOM 0 HB3 TRP A 3 3.706 -3.728 -3.967 1.00 12.35 H new ATOM 0 HD1 TRP A 3 2.970 -1.341 -6.141 1.00 21.11 H new ATOM 0 HE1 TRP A 3 2.668 1.070 -5.256 1.00 43.42 H new ATOM 0 HE3 TRP A 3 2.032 -2.451 -1.241 1.00 0.43 H new ATOM 0 HZ2 TRP A 3 2.102 2.290 -2.786 1.00 24.23 H new ATOM 0 HZ3 TRP A 3 1.619 -0.600 0.331 1.00 63.44 H new ATOM 0 HH2 TRP A 3 1.651 1.738 -0.434 1.00 44.30 H new ATOM 69 N GLY A 4 2.320 -6.097 -6.708 1.00 11.41 N ATOM 70 CA GLY A 4 2.790 -7.444 -6.973 1.00 3.43 C ATOM 71 C GLY A 4 3.985 -7.468 -7.906 1.00 12.43 C ATOM 72 O GLY A 4 4.304 -8.503 -8.490 1.00 35.21 O ATOM 0 H GLY A 4 1.641 -5.740 -7.380 1.00 11.41 H new ATOM 0 HA2 GLY A 4 3.058 -7.924 -6.032 1.00 3.43 H new ATOM 0 HA3 GLY A 4 1.980 -8.029 -7.409 1.00 3.43 H new ATOM 76 N TRP A 5 4.646 -6.324 -8.047 1.00 74.52 N ATOM 77 CA TRP A 5 5.811 -6.218 -8.918 1.00 20.32 C ATOM 78 C TRP A 5 7.055 -6.773 -8.232 1.00 72.15 C ATOM 79 O TRP A 5 7.685 -7.708 -8.729 1.00 51.34 O ATOM 80 CB TRP A 5 6.042 -4.761 -9.319 1.00 42.44 C ATOM 81 CG TRP A 5 4.829 -4.108 -9.911 1.00 5.13 C ATOM 82 CD1 TRP A 5 3.762 -4.733 -10.490 1.00 25.30 C ATOM 83 CD2 TRP A 5 4.561 -2.703 -9.982 1.00 61.41 C ATOM 84 NE1 TRP A 5 2.847 -3.802 -10.917 1.00 51.01 N ATOM 85 CE2 TRP A 5 3.313 -2.549 -10.617 1.00 31.55 C ATOM 86 CE3 TRP A 5 5.252 -1.561 -9.570 1.00 65.00 C ATOM 87 CZ2 TRP A 5 2.745 -1.299 -10.848 1.00 61.53 C ATOM 88 CZ3 TRP A 5 4.688 -0.321 -9.801 1.00 72.11 C ATOM 89 CH2 TRP A 5 3.444 -0.198 -10.435 1.00 30.15 C ATOM 0 H TRP A 5 4.395 -5.458 -7.570 1.00 74.52 H new ATOM 0 HA TRP A 5 5.619 -6.808 -9.814 1.00 20.32 H new ATOM 0 HB2 TRP A 5 6.358 -4.196 -8.442 1.00 42.44 H new ATOM 0 HB3 TRP A 5 6.859 -4.715 -10.039 1.00 42.44 H new ATOM 0 HD1 TRP A 5 3.653 -5.802 -10.597 1.00 25.30 H new ATOM 0 HE1 TRP A 5 1.963 -4.010 -11.382 1.00 51.01 H new ATOM 0 HE3 TRP A 5 6.210 -1.646 -9.079 1.00 65.00 H new ATOM 0 HZ2 TRP A 5 1.786 -1.202 -11.336 1.00 61.53 H new ATOM 0 HZ3 TRP A 5 5.215 0.568 -9.488 1.00 72.11 H new ATOM 0 HH2 TRP A 5 3.029 0.785 -10.601 1.00 30.15 H new ATOM 100 N LEU A 6 7.404 -6.193 -7.090 1.00 13.05 N ATOM 101 CA LEU A 6 8.573 -6.630 -6.335 1.00 63.33 C ATOM 102 C LEU A 6 8.398 -8.062 -5.840 1.00 72.43 C ATOM 103 O LEU A 6 9.375 -8.778 -5.621 1.00 53.11 O ATOM 104 CB LEU A 6 8.819 -5.695 -5.150 1.00 20.32 C ATOM 105 CG LEU A 6 9.073 -4.227 -5.494 1.00 73.32 C ATOM 106 CD1 LEU A 6 7.849 -3.384 -5.172 1.00 75.33 C ATOM 107 CD2 LEU A 6 10.292 -3.707 -4.747 1.00 61.20 C ATOM 0 H LEU A 6 6.894 -5.418 -6.666 1.00 13.05 H new ATOM 0 HA LEU A 6 9.436 -6.598 -7.000 1.00 63.33 H new ATOM 0 HB2 LEU A 6 7.956 -5.748 -4.486 1.00 20.32 H new ATOM 0 HB3 LEU A 6 9.676 -6.069 -4.589 1.00 20.32 H new ATOM 0 HG LEU A 6 9.269 -4.153 -6.564 1.00 73.32 H new ATOM 0 HD11 LEU A 6 8.048 -2.342 -5.423 1.00 75.33 H new ATOM 0 HD12 LEU A 6 6.998 -3.741 -5.753 1.00 75.33 H new ATOM 0 HD13 LEU A 6 7.622 -3.464 -4.109 1.00 75.33 H new ATOM 0 HD21 LEU A 6 10.457 -2.661 -5.004 1.00 61.20 H new ATOM 0 HD22 LEU A 6 10.126 -3.795 -3.673 1.00 61.20 H new ATOM 0 HD23 LEU A 6 11.168 -4.292 -5.027 1.00 61.20 H new ATOM 119 N ALA A 7 7.146 -8.474 -5.668 1.00 70.33 N ATOM 120 CA ALA A 7 6.842 -9.822 -5.204 1.00 23.04 C ATOM 121 C ALA A 7 7.273 -10.866 -6.228 1.00 74.14 C ATOM 122 O ALA A 7 7.594 -12.001 -5.875 1.00 14.30 O ATOM 123 CB ALA A 7 5.356 -9.955 -4.904 1.00 45.30 C ATOM 0 H ALA A 7 6.326 -7.893 -5.843 1.00 70.33 H new ATOM 0 HA ALA A 7 7.403 -9.999 -4.287 1.00 23.04 H new ATOM 0 HB1 ALA A 7 5.144 -10.967 -4.559 1.00 45.30 H new ATOM 0 HB2 ALA A 7 5.076 -9.241 -4.130 1.00 45.30 H new ATOM 0 HB3 ALA A 7 4.783 -9.753 -5.809 1.00 45.30 H new ATOM 129 N TRP A 8 7.276 -10.476 -7.498 1.00 10.43 N ATOM 130 CA TRP A 8 7.666 -11.379 -8.574 1.00 64.20 C ATOM 131 C TRP A 8 9.164 -11.286 -8.847 1.00 33.45 C ATOM 132 O TRP A 8 9.781 -12.246 -9.308 1.00 61.04 O ATOM 133 CB TRP A 8 6.883 -11.057 -9.848 1.00 32.05 C ATOM 134 CG TRP A 8 5.490 -11.611 -9.844 1.00 61.01 C ATOM 135 CD1 TRP A 8 4.619 -11.632 -8.793 1.00 10.04 C ATOM 136 CD2 TRP A 8 4.810 -12.226 -10.944 1.00 13.33 C ATOM 137 NE1 TRP A 8 3.438 -12.223 -9.172 1.00 51.33 N ATOM 138 CE2 TRP A 8 3.529 -12.595 -10.487 1.00 41.24 C ATOM 139 CE3 TRP A 8 5.157 -12.498 -12.270 1.00 34.33 C ATOM 140 CZ2 TRP A 8 2.598 -13.222 -11.311 1.00 22.52 C ATOM 141 CZ3 TRP A 8 4.232 -13.122 -13.085 1.00 54.45 C ATOM 142 CH2 TRP A 8 2.965 -13.477 -12.604 1.00 74.44 C ATOM 0 H TRP A 8 7.013 -9.540 -7.807 1.00 10.43 H new ATOM 0 HA TRP A 8 7.434 -12.397 -8.261 1.00 64.20 H new ATOM 0 HB2 TRP A 8 6.836 -9.975 -9.974 1.00 32.05 H new ATOM 0 HB3 TRP A 8 7.422 -11.455 -10.708 1.00 32.05 H new ATOM 0 HD1 TRP A 8 4.828 -11.241 -7.808 1.00 10.04 H new ATOM 0 HE1 TRP A 8 2.625 -12.362 -8.571 1.00 51.33 H new ATOM 0 HE3 TRP A 8 6.130 -12.226 -12.651 1.00 34.33 H new ATOM 0 HZ2 TRP A 8 1.621 -13.497 -10.942 1.00 22.52 H new ATOM 0 HZ3 TRP A 8 4.490 -13.340 -14.111 1.00 54.45 H new ATOM 0 HH2 TRP A 8 2.264 -13.962 -13.267 1.00 74.44 H new ATOM 153 N VAL A 9 9.743 -10.125 -8.558 1.00 33.25 N ATOM 154 CA VAL A 9 11.169 -9.908 -8.770 1.00 74.14 C ATOM 155 C VAL A 9 11.998 -10.629 -7.713 1.00 40.44 C ATOM 156 O VAL A 9 13.158 -10.969 -7.946 1.00 2.24 O ATOM 157 CB VAL A 9 11.518 -8.408 -8.747 1.00 33.14 C ATOM 158 CG1 VAL A 9 13.012 -8.204 -8.946 1.00 32.23 C ATOM 159 CG2 VAL A 9 10.723 -7.660 -9.806 1.00 42.22 C ATOM 0 H VAL A 9 9.246 -9.320 -8.176 1.00 33.25 H new ATOM 0 HA VAL A 9 11.408 -10.313 -9.753 1.00 74.14 H new ATOM 0 HB VAL A 9 11.248 -8.005 -7.771 1.00 33.14 H new ATOM 0 HG11 VAL A 9 13.239 -7.138 -8.927 1.00 32.23 H new ATOM 0 HG12 VAL A 9 13.557 -8.706 -8.147 1.00 32.23 H new ATOM 0 HG13 VAL A 9 13.311 -8.622 -9.907 1.00 32.23 H new ATOM 0 HG21 VAL A 9 10.982 -6.602 -9.776 1.00 42.22 H new ATOM 0 HG22 VAL A 9 10.959 -8.063 -10.791 1.00 42.22 H new ATOM 0 HG23 VAL A 9 9.657 -7.778 -9.612 1.00 42.22 H new ATOM 169 N ASP A 10 11.395 -10.858 -6.552 1.00 64.51 N ATOM 170 CA ASP A 10 12.078 -11.541 -5.458 1.00 54.55 C ATOM 171 C ASP A 10 12.510 -12.942 -5.878 1.00 32.24 C ATOM 172 O ASP A 10 13.694 -13.279 -5.877 1.00 31.50 O ATOM 173 CB ASP A 10 11.168 -11.619 -4.232 1.00 33.54 C ATOM 174 CG ASP A 10 11.610 -10.686 -3.122 1.00 31.12 C ATOM 175 OD1 ASP A 10 12.738 -10.860 -2.614 1.00 35.34 O ATOM 176 OD2 ASP A 10 10.829 -9.781 -2.762 1.00 52.21 O ATOM 0 H ASP A 10 10.436 -10.581 -6.343 1.00 64.51 H new ATOM 0 HA ASP A 10 12.969 -10.968 -5.203 1.00 54.55 H new ATOM 0 HB2 ASP A 10 10.147 -11.373 -4.525 1.00 33.54 H new ATOM 0 HB3 ASP A 10 11.154 -12.643 -3.858 1.00 33.54 H new ATOM 181 N PRO A 11 11.528 -13.780 -6.244 1.00 2.25 N ATOM 182 CA PRO A 11 11.783 -15.159 -6.671 1.00 54.32 C ATOM 183 C PRO A 11 12.479 -15.226 -8.026 1.00 73.32 C ATOM 184 O PRO A 11 13.195 -16.183 -8.319 1.00 70.04 O ATOM 185 CB PRO A 11 10.381 -15.767 -6.759 1.00 73.12 C ATOM 186 CG PRO A 11 9.478 -14.606 -6.999 1.00 23.22 C ATOM 187 CD PRO A 11 10.094 -13.445 -6.268 1.00 64.24 C ATOM 0 HA PRO A 11 12.447 -15.683 -5.984 1.00 54.32 H new ATOM 0 HB2 PRO A 11 10.315 -16.494 -7.569 1.00 73.12 H new ATOM 0 HB3 PRO A 11 10.118 -16.290 -5.839 1.00 73.12 H new ATOM 0 HG2 PRO A 11 9.390 -14.394 -8.065 1.00 23.22 H new ATOM 0 HG3 PRO A 11 8.473 -14.810 -6.630 1.00 23.22 H new ATOM 0 HD2 PRO A 11 9.910 -12.502 -6.783 1.00 64.24 H new ATOM 0 HD3 PRO A 11 9.688 -13.343 -5.262 1.00 64.24 H new ATOM 195 N ALA A 12 12.264 -14.205 -8.848 1.00 54.44 N ATOM 196 CA ALA A 12 12.873 -14.147 -10.171 1.00 74.54 C ATOM 197 C ALA A 12 14.362 -13.834 -10.077 1.00 60.31 C ATOM 198 O ALA A 12 15.192 -14.536 -10.656 1.00 53.23 O ATOM 199 CB ALA A 12 12.167 -13.111 -11.033 1.00 52.10 C ATOM 0 H ALA A 12 11.672 -13.406 -8.621 1.00 54.44 H new ATOM 0 HA ALA A 12 12.763 -15.126 -10.637 1.00 74.54 H new ATOM 0 HB1 ALA A 12 12.633 -13.079 -12.018 1.00 52.10 H new ATOM 0 HB2 ALA A 12 11.116 -13.380 -11.137 1.00 52.10 H new ATOM 0 HB3 ALA A 12 12.246 -12.131 -10.562 1.00 52.10 H new ATOM 205 N TYR A 13 14.694 -12.777 -9.345 1.00 21.02 N ATOM 206 CA TYR A 13 16.084 -12.369 -9.177 1.00 71.25 C ATOM 207 C TYR A 13 16.902 -13.479 -8.524 1.00 3.50 C ATOM 208 O TYR A 13 17.992 -13.815 -8.987 1.00 35.42 O ATOM 209 CB TYR A 13 16.166 -11.096 -8.334 1.00 54.53 C ATOM 210 CG TYR A 13 17.422 -10.289 -8.576 1.00 15.01 C ATOM 211 CD1 TYR A 13 18.598 -10.578 -7.894 1.00 54.45 C ATOM 212 CD2 TYR A 13 17.432 -9.238 -9.485 1.00 20.05 C ATOM 213 CE1 TYR A 13 19.747 -9.843 -8.111 1.00 64.03 C ATOM 214 CE2 TYR A 13 18.577 -8.499 -9.709 1.00 25.12 C ATOM 215 CZ TYR A 13 19.732 -8.805 -9.020 1.00 24.33 C ATOM 216 OH TYR A 13 20.875 -8.071 -9.239 1.00 41.33 O ATOM 0 H TYR A 13 14.020 -12.187 -8.858 1.00 21.02 H new ATOM 0 HA TYR A 13 16.499 -12.169 -10.165 1.00 71.25 H new ATOM 0 HB2 TYR A 13 15.297 -10.473 -8.547 1.00 54.53 H new ATOM 0 HB3 TYR A 13 16.115 -11.365 -7.279 1.00 54.53 H new ATOM 0 HD1 TYR A 13 18.614 -11.391 -7.183 1.00 54.45 H new ATOM 0 HD2 TYR A 13 16.529 -8.995 -10.025 1.00 20.05 H new ATOM 0 HE1 TYR A 13 20.653 -10.079 -7.572 1.00 64.03 H new ATOM 0 HE2 TYR A 13 18.568 -7.686 -10.420 1.00 25.12 H new ATOM 0 HH TYR A 13 20.696 -7.379 -9.909 1.00 41.33 H new ATOM 226 N GLU A 14 16.368 -14.042 -7.445 1.00 73.32 N ATOM 227 CA GLU A 14 17.048 -15.114 -6.727 1.00 43.34 C ATOM 228 C GLU A 14 17.260 -16.325 -7.631 1.00 33.21 C ATOM 229 O GLU A 14 18.187 -17.110 -7.429 1.00 51.34 O ATOM 230 CB GLU A 14 16.244 -15.520 -5.491 1.00 21.23 C ATOM 231 CG GLU A 14 14.980 -16.298 -5.815 1.00 54.44 C ATOM 232 CD GLU A 14 14.251 -16.772 -4.573 1.00 10.51 C ATOM 233 OE1 GLU A 14 14.519 -16.223 -3.483 1.00 62.32 O ATOM 234 OE2 GLU A 14 13.413 -17.690 -4.690 1.00 23.13 O ATOM 0 H GLU A 14 15.467 -13.774 -7.049 1.00 73.32 H new ATOM 0 HA GLU A 14 18.023 -14.744 -6.411 1.00 43.34 H new ATOM 0 HB2 GLU A 14 16.875 -16.124 -4.840 1.00 21.23 H new ATOM 0 HB3 GLU A 14 15.975 -14.624 -4.932 1.00 21.23 H new ATOM 0 HG2 GLU A 14 14.313 -15.670 -6.406 1.00 54.44 H new ATOM 0 HG3 GLU A 14 15.236 -17.159 -6.432 1.00 54.44 H new ATOM 241 N PHE A 15 16.393 -16.471 -8.627 1.00 75.42 N ATOM 242 CA PHE A 15 16.482 -17.588 -9.561 1.00 43.43 C ATOM 243 C PHE A 15 17.673 -17.416 -10.501 1.00 35.34 C ATOM 244 O PHE A 15 18.443 -18.352 -10.720 1.00 50.51 O ATOM 245 CB PHE A 15 15.191 -17.706 -10.373 1.00 34.11 C ATOM 246 CG PHE A 15 14.505 -19.034 -10.218 1.00 40.51 C ATOM 247 CD1 PHE A 15 13.629 -19.258 -9.168 1.00 4.40 C ATOM 248 CD2 PHE A 15 14.737 -20.057 -11.122 1.00 73.54 C ATOM 249 CE1 PHE A 15 12.997 -20.478 -9.023 1.00 15.23 C ATOM 250 CE2 PHE A 15 14.107 -21.279 -10.982 1.00 75.55 C ATOM 251 CZ PHE A 15 13.236 -21.490 -9.931 1.00 23.43 C ATOM 0 H PHE A 15 15.621 -15.830 -8.809 1.00 75.42 H new ATOM 0 HA PHE A 15 16.625 -18.502 -8.984 1.00 43.43 H new ATOM 0 HB2 PHE A 15 14.506 -16.914 -10.069 1.00 34.11 H new ATOM 0 HB3 PHE A 15 15.418 -17.544 -11.427 1.00 34.11 H new ATOM 0 HD1 PHE A 15 13.438 -18.470 -8.455 1.00 4.40 H new ATOM 0 HD2 PHE A 15 15.418 -19.898 -11.945 1.00 73.54 H new ATOM 0 HE1 PHE A 15 12.317 -20.640 -8.200 1.00 15.23 H new ATOM 0 HE2 PHE A 15 14.296 -22.069 -11.694 1.00 75.55 H new ATOM 0 HZ PHE A 15 12.743 -22.444 -9.820 1.00 23.43 H new ATOM 261 N ILE A 16 17.815 -16.216 -11.052 1.00 42.02 N ATOM 262 CA ILE A 16 18.911 -15.922 -11.967 1.00 41.32 C ATOM 263 C ILE A 16 20.258 -16.002 -11.256 1.00 74.42 C ATOM 264 O ILE A 16 21.288 -16.258 -11.880 1.00 73.32 O ATOM 265 CB ILE A 16 18.759 -14.525 -12.597 1.00 52.51 C ATOM 266 CG1 ILE A 16 17.372 -14.373 -13.226 1.00 0.15 C ATOM 267 CG2 ILE A 16 19.845 -14.291 -13.636 1.00 5.53 C ATOM 268 CD1 ILE A 16 17.069 -15.415 -14.279 1.00 40.25 C ATOM 0 H ILE A 16 17.186 -15.432 -10.881 1.00 42.02 H new ATOM 0 HA ILE A 16 18.874 -16.674 -12.755 1.00 41.32 H new ATOM 0 HB ILE A 16 18.866 -13.776 -11.812 1.00 52.51 H new ATOM 0 HG12 ILE A 16 16.618 -14.431 -12.441 1.00 0.15 H new ATOM 0 HG13 ILE A 16 17.291 -13.382 -13.673 1.00 0.15 H new ATOM 0 HG21 ILE A 16 19.724 -13.299 -14.072 1.00 5.53 H new ATOM 0 HG22 ILE A 16 20.824 -14.362 -13.162 1.00 5.53 H new ATOM 0 HG23 ILE A 16 19.767 -15.044 -14.420 1.00 5.53 H new ATOM 0 HD11 ILE A 16 16.070 -15.246 -14.681 1.00 40.25 H new ATOM 0 HD12 ILE A 16 17.801 -15.343 -15.083 1.00 40.25 H new ATOM 0 HD13 ILE A 16 17.117 -16.408 -13.832 1.00 40.25 H new ATOM 280 N LYS A 17 20.242 -15.784 -9.946 1.00 24.24 N ATOM 281 CA LYS A 17 21.461 -15.835 -9.147 1.00 22.02 C ATOM 282 C LYS A 17 22.132 -17.200 -9.264 1.00 11.02 C ATOM 283 O LYS A 17 23.329 -17.337 -9.018 1.00 25.12 O ATOM 284 CB LYS A 17 21.147 -15.533 -7.680 1.00 31.42 C ATOM 285 CG LYS A 17 20.971 -14.053 -7.387 1.00 71.42 C ATOM 286 CD LYS A 17 22.082 -13.525 -6.495 1.00 70.33 C ATOM 287 CE LYS A 17 22.104 -12.005 -6.473 1.00 52.43 C ATOM 288 NZ LYS A 17 22.917 -11.478 -5.343 1.00 5.12 N ATOM 0 H LYS A 17 19.398 -15.570 -9.414 1.00 24.24 H new ATOM 0 HA LYS A 17 22.147 -15.079 -9.528 1.00 22.02 H new ATOM 0 HB2 LYS A 17 20.237 -16.062 -7.396 1.00 31.42 H new ATOM 0 HB3 LYS A 17 21.951 -15.925 -7.057 1.00 31.42 H new ATOM 0 HG2 LYS A 17 20.959 -13.495 -8.323 1.00 71.42 H new ATOM 0 HG3 LYS A 17 20.007 -13.889 -6.905 1.00 71.42 H new ATOM 0 HD2 LYS A 17 21.947 -13.903 -5.481 1.00 70.33 H new ATOM 0 HD3 LYS A 17 23.043 -13.899 -6.849 1.00 70.33 H new ATOM 0 HE2 LYS A 17 22.508 -11.634 -7.415 1.00 52.43 H new ATOM 0 HE3 LYS A 17 21.084 -11.628 -6.393 1.00 52.43 H new ATOM 0 HZ1 LYS A 17 22.907 -10.438 -5.363 1.00 5.12 H new ATOM 0 HZ2 LYS A 17 22.517 -11.811 -4.443 1.00 5.12 H new ATOM 0 HZ3 LYS A 17 23.896 -11.816 -5.433 1.00 5.12 H new ATOM 302 N GLY A 18 21.351 -18.208 -9.642 1.00 43.44 N ATOM 303 CA GLY A 18 21.888 -19.548 -9.787 1.00 21.24 C ATOM 304 C GLY A 18 21.658 -20.119 -11.172 1.00 43.20 C ATOM 305 O GLY A 18 22.450 -20.926 -11.658 1.00 24.40 O ATOM 0 H GLY A 18 20.356 -18.120 -9.850 1.00 43.44 H new ATOM 0 HA2 GLY A 18 22.958 -19.532 -9.577 1.00 21.24 H new ATOM 0 HA3 GLY A 18 21.428 -20.202 -9.047 1.00 21.24 H new ATOM 309 N PHE A 19 20.570 -19.700 -11.810 1.00 3.03 N ATOM 310 CA PHE A 19 20.237 -20.177 -13.147 1.00 13.21 C ATOM 311 C PHE A 19 21.008 -19.399 -14.210 1.00 33.34 C ATOM 312 O PHE A 19 21.285 -19.914 -15.292 1.00 60.10 O ATOM 313 CB PHE A 19 18.732 -20.049 -13.396 1.00 65.14 C ATOM 314 CG PHE A 19 18.344 -20.254 -14.833 1.00 14.04 C ATOM 315 CD1 PHE A 19 18.307 -19.185 -15.713 1.00 62.05 C ATOM 316 CD2 PHE A 19 18.015 -21.515 -15.302 1.00 30.50 C ATOM 317 CE1 PHE A 19 17.949 -19.371 -17.035 1.00 52.23 C ATOM 318 CE2 PHE A 19 17.656 -21.707 -16.623 1.00 23.50 C ATOM 319 CZ PHE A 19 17.624 -20.634 -17.491 1.00 2.31 C ATOM 0 H PHE A 19 19.904 -19.031 -11.423 1.00 3.03 H new ATOM 0 HA PHE A 19 20.522 -21.227 -13.213 1.00 13.21 H new ATOM 0 HB2 PHE A 19 18.206 -20.777 -12.778 1.00 65.14 H new ATOM 0 HB3 PHE A 19 18.401 -19.061 -13.076 1.00 65.14 H new ATOM 0 HD1 PHE A 19 18.561 -18.195 -15.362 1.00 62.05 H new ATOM 0 HD2 PHE A 19 18.039 -22.358 -14.628 1.00 30.50 H new ATOM 0 HE1 PHE A 19 17.923 -18.529 -17.711 1.00 52.23 H new ATOM 0 HE2 PHE A 19 17.401 -22.695 -16.976 1.00 23.50 H new ATOM 0 HZ PHE A 19 17.346 -20.782 -18.524 1.00 2.31 H new ATOM 329 N GLY A 20 21.351 -18.155 -13.892 1.00 13.44 N ATOM 330 CA GLY A 20 22.086 -17.325 -14.829 1.00 35.23 C ATOM 331 C GLY A 20 22.982 -16.320 -14.134 1.00 11.33 C ATOM 332 O GLY A 20 22.854 -15.113 -14.343 1.00 32.21 O ATOM 0 H GLY A 20 21.133 -17.707 -13.002 1.00 13.44 H new ATOM 0 HA2 GLY A 20 22.691 -17.961 -15.475 1.00 35.23 H new ATOM 0 HA3 GLY A 20 21.382 -16.796 -15.471 1.00 35.23 H new ATOM 336 N LYS A 21 23.892 -16.816 -13.303 1.00 30.05 N ATOM 337 CA LYS A 21 24.814 -15.954 -12.573 1.00 11.50 C ATOM 338 C LYS A 21 25.707 -15.176 -13.534 1.00 41.40 C ATOM 339 O LYS A 21 26.304 -14.166 -13.163 1.00 12.14 O ATOM 340 CB LYS A 21 25.675 -16.784 -11.619 1.00 30.22 C ATOM 341 CG LYS A 21 26.646 -17.712 -12.328 1.00 4.03 C ATOM 342 CD LYS A 21 26.302 -19.172 -12.084 1.00 53.35 C ATOM 343 CE LYS A 21 26.963 -19.698 -10.820 1.00 4.51 C ATOM 344 NZ LYS A 21 26.398 -21.011 -10.403 1.00 1.51 N ATOM 0 H LYS A 21 24.011 -17.812 -13.118 1.00 30.05 H new ATOM 0 HA LYS A 21 24.225 -15.242 -11.994 1.00 11.50 H new ATOM 0 HB2 LYS A 21 26.236 -16.111 -10.971 1.00 30.22 H new ATOM 0 HB3 LYS A 21 25.023 -17.376 -10.976 1.00 30.22 H new ATOM 0 HG2 LYS A 21 26.630 -17.508 -13.399 1.00 4.03 H new ATOM 0 HG3 LYS A 21 27.660 -17.513 -11.981 1.00 4.03 H new ATOM 0 HD2 LYS A 21 25.221 -19.283 -12.003 1.00 53.35 H new ATOM 0 HD3 LYS A 21 26.621 -19.769 -12.938 1.00 53.35 H new ATOM 0 HE2 LYS A 21 28.035 -19.801 -10.987 1.00 4.51 H new ATOM 0 HE3 LYS A 21 26.834 -18.975 -10.015 1.00 4.51 H new ATOM 0 HZ1 LYS A 21 26.875 -21.335 -9.538 1.00 1.51 H new ATOM 0 HZ2 LYS A 21 25.380 -20.908 -10.219 1.00 1.51 H new ATOM 0 HZ3 LYS A 21 26.544 -21.708 -11.161 1.00 1.51 H new ATOM 358 N GLY A 22 25.793 -15.652 -14.772 1.00 60.14 N ATOM 359 CA GLY A 22 26.614 -14.988 -15.768 1.00 4.15 C ATOM 360 C GLY A 22 25.836 -13.968 -16.574 1.00 41.35 C ATOM 361 O GLY A 22 25.795 -12.789 -16.223 1.00 61.02 O ATOM 0 H GLY A 22 25.309 -16.486 -15.103 1.00 60.14 H new ATOM 0 HA2 GLY A 22 27.451 -14.494 -15.274 1.00 4.15 H new ATOM 0 HA3 GLY A 22 27.036 -15.733 -16.442 1.00 4.15 H new ATOM 365 N ALA A 23 25.218 -14.421 -17.660 1.00 62.03 N ATOM 366 CA ALA A 23 24.437 -13.539 -18.519 1.00 65.31 C ATOM 367 C ALA A 23 25.234 -12.296 -18.898 1.00 43.35 C ATOM 368 O ALA A 23 24.918 -11.188 -18.463 1.00 24.11 O ATOM 369 CB ALA A 23 23.139 -13.147 -17.831 1.00 14.41 C ATOM 0 H ALA A 23 25.243 -15.394 -17.966 1.00 62.03 H new ATOM 0 HA ALA A 23 24.200 -14.080 -19.435 1.00 65.31 H new ATOM 0 HB1 ALA A 23 22.566 -12.488 -18.484 1.00 14.41 H new ATOM 0 HB2 ALA A 23 22.556 -14.043 -17.617 1.00 14.41 H new ATOM 0 HB3 ALA A 23 23.363 -12.628 -16.899 1.00 14.41 H new ATOM 375 N ILE A 24 26.268 -12.486 -19.711 1.00 61.32 N ATOM 376 CA ILE A 24 27.109 -11.379 -20.149 1.00 23.32 C ATOM 377 C ILE A 24 26.474 -10.635 -21.318 1.00 51.12 C ATOM 378 O ILE A 24 26.755 -9.458 -21.546 1.00 12.00 O ATOM 379 CB ILE A 24 28.510 -11.867 -20.565 1.00 54.21 C ATOM 380 CG1 ILE A 24 29.153 -12.668 -19.431 1.00 75.23 C ATOM 381 CG2 ILE A 24 29.388 -10.686 -20.951 1.00 63.30 C ATOM 382 CD1 ILE A 24 29.348 -11.869 -18.162 1.00 31.21 C ATOM 0 H ILE A 24 26.543 -13.396 -20.080 1.00 61.32 H new ATOM 0 HA ILE A 24 27.206 -10.702 -19.301 1.00 23.32 H new ATOM 0 HB ILE A 24 28.409 -12.519 -21.432 1.00 54.21 H new ATOM 0 HG12 ILE A 24 28.531 -13.536 -19.212 1.00 75.23 H new ATOM 0 HG13 ILE A 24 30.120 -13.045 -19.766 1.00 75.23 H new ATOM 0 HG21 ILE A 24 30.375 -11.046 -21.243 1.00 63.30 H new ATOM 0 HG22 ILE A 24 28.934 -10.153 -21.787 1.00 63.30 H new ATOM 0 HG23 ILE A 24 29.485 -10.011 -20.100 1.00 63.30 H new ATOM 0 HD11 ILE A 24 29.808 -12.500 -17.402 1.00 31.21 H new ATOM 0 HD12 ILE A 24 29.995 -11.015 -18.365 1.00 31.21 H new ATOM 0 HD13 ILE A 24 28.382 -11.515 -17.803 1.00 31.21 H new ATOM 394 N LYS A 25 25.614 -11.328 -22.057 1.00 21.24 N ATOM 395 CA LYS A 25 24.935 -10.734 -23.202 1.00 12.54 C ATOM 396 C LYS A 25 24.031 -9.586 -22.762 1.00 70.02 C ATOM 397 O LYS A 25 23.834 -8.622 -23.501 1.00 5.32 O ATOM 398 CB LYS A 25 24.111 -11.792 -23.938 1.00 61.24 C ATOM 399 CG LYS A 25 23.190 -12.588 -23.029 1.00 42.54 C ATOM 400 CD LYS A 25 21.730 -12.376 -23.392 1.00 12.43 C ATOM 401 CE LYS A 25 21.345 -13.158 -24.638 1.00 25.51 C ATOM 402 NZ LYS A 25 20.081 -13.921 -24.446 1.00 13.21 N ATOM 0 H LYS A 25 25.371 -12.303 -21.883 1.00 21.24 H new ATOM 0 HA LYS A 25 25.693 -10.339 -23.878 1.00 12.54 H new ATOM 0 HB2 LYS A 25 23.514 -11.304 -24.708 1.00 61.24 H new ATOM 0 HB3 LYS A 25 24.788 -12.479 -24.446 1.00 61.24 H new ATOM 0 HG2 LYS A 25 23.434 -13.648 -23.101 1.00 42.54 H new ATOM 0 HG3 LYS A 25 23.355 -12.292 -21.993 1.00 42.54 H new ATOM 0 HD2 LYS A 25 21.099 -12.684 -22.559 1.00 12.43 H new ATOM 0 HD3 LYS A 25 21.546 -11.314 -23.556 1.00 12.43 H new ATOM 0 HE2 LYS A 25 21.231 -12.471 -25.477 1.00 25.51 H new ATOM 0 HE3 LYS A 25 22.149 -13.847 -24.897 1.00 25.51 H new ATOM 0 HZ1 LYS A 25 19.853 -14.440 -25.318 1.00 13.21 H new ATOM 0 HZ2 LYS A 25 20.198 -14.594 -23.662 1.00 13.21 H new ATOM 0 HZ3 LYS A 25 19.308 -13.262 -24.224 1.00 13.21 H new ATOM 416 N GLU A 26 23.485 -9.697 -21.555 1.00 63.21 N ATOM 417 CA GLU A 26 22.603 -8.668 -21.019 1.00 0.44 C ATOM 418 C GLU A 26 23.353 -7.352 -20.832 1.00 0.14 C ATOM 419 O GLU A 26 22.773 -6.273 -20.942 1.00 53.21 O ATOM 420 CB GLU A 26 22.006 -9.121 -19.685 1.00 13.12 C ATOM 421 CG GLU A 26 21.179 -10.392 -19.788 1.00 45.24 C ATOM 422 CD GLU A 26 19.717 -10.115 -20.075 1.00 55.14 C ATOM 423 OE1 GLU A 26 19.392 -8.970 -20.453 1.00 12.22 O ATOM 424 OE2 GLU A 26 18.896 -11.044 -19.923 1.00 23.35 O ATOM 0 H GLU A 26 23.638 -10.489 -20.931 1.00 63.21 H new ATOM 0 HA GLU A 26 21.796 -8.508 -21.734 1.00 0.44 H new ATOM 0 HB2 GLU A 26 22.814 -9.280 -18.971 1.00 13.12 H new ATOM 0 HB3 GLU A 26 21.381 -8.322 -19.286 1.00 13.12 H new ATOM 0 HG2 GLU A 26 21.587 -11.023 -20.577 1.00 45.24 H new ATOM 0 HG3 GLU A 26 21.263 -10.952 -18.857 1.00 45.24 H new ATOM 431 N GLY A 27 24.648 -7.451 -20.547 1.00 1.24 N ATOM 432 CA GLY A 27 25.457 -6.262 -20.348 1.00 32.42 C ATOM 433 C GLY A 27 26.289 -6.332 -19.083 1.00 32.13 C ATOM 434 O GLY A 27 25.750 -6.450 -17.983 1.00 74.12 O ATOM 0 H GLY A 27 25.151 -8.333 -20.450 1.00 1.24 H new ATOM 0 HA2 GLY A 27 26.116 -6.127 -21.206 1.00 32.42 H new ATOM 0 HA3 GLY A 27 24.808 -5.388 -20.304 1.00 32.42 H new ATOM 438 N ASN A 28 27.607 -6.261 -19.238 1.00 52.43 N ATOM 439 CA ASN A 28 28.515 -6.319 -18.099 1.00 2.22 C ATOM 440 C ASN A 28 29.875 -5.726 -18.456 1.00 72.13 C ATOM 441 O ASN A 28 30.802 -6.448 -18.826 1.00 14.53 O ATOM 442 CB ASN A 28 28.684 -7.765 -17.628 1.00 44.32 C ATOM 443 CG ASN A 28 28.028 -8.016 -16.284 1.00 71.05 C ATOM 444 OD1 ASN A 28 28.661 -7.881 -15.237 1.00 54.21 O ATOM 445 ND2 ASN A 28 26.752 -8.384 -16.309 1.00 63.21 N ATOM 0 H ASN A 28 28.070 -6.163 -20.142 1.00 52.43 H new ATOM 0 HA ASN A 28 28.082 -5.729 -17.291 1.00 2.22 H new ATOM 0 HB2 ASN A 28 28.255 -8.438 -18.370 1.00 44.32 H new ATOM 0 HB3 ASN A 28 29.746 -8.000 -17.560 1.00 44.32 H new ATOM 0 HD21 ASN A 28 26.257 -8.567 -15.436 1.00 63.21 H new ATOM 0 HD22 ASN A 28 26.267 -8.483 -17.201 1.00 63.21 H new ATOM 452 N LYS A 29 29.987 -4.407 -18.343 1.00 42.03 N ATOM 453 CA LYS A 29 31.233 -3.715 -18.652 1.00 62.52 C ATOM 454 C LYS A 29 32.237 -3.868 -17.514 1.00 31.42 C ATOM 455 O LYS A 29 33.315 -4.434 -17.696 1.00 43.53 O ATOM 456 CB LYS A 29 30.966 -2.232 -18.914 1.00 55.34 C ATOM 457 CG LYS A 29 30.697 -1.911 -20.375 1.00 0.15 C ATOM 458 CD LYS A 29 29.307 -1.330 -20.571 1.00 73.13 C ATOM 459 CE LYS A 29 29.213 0.088 -20.030 1.00 44.33 C ATOM 460 NZ LYS A 29 27.867 0.682 -20.259 1.00 60.14 N ATOM 0 H LYS A 29 29.229 -3.795 -18.039 1.00 42.03 H new ATOM 0 HA LYS A 29 31.656 -4.166 -19.550 1.00 62.52 H new ATOM 0 HB2 LYS A 29 30.111 -1.914 -18.317 1.00 55.34 H new ATOM 0 HB3 LYS A 29 31.824 -1.652 -18.575 1.00 55.34 H new ATOM 0 HG2 LYS A 29 31.443 -1.203 -20.736 1.00 0.15 H new ATOM 0 HG3 LYS A 29 30.802 -2.816 -20.973 1.00 0.15 H new ATOM 0 HD2 LYS A 29 29.057 -1.333 -21.632 1.00 73.13 H new ATOM 0 HD3 LYS A 29 28.574 -1.961 -20.069 1.00 73.13 H new ATOM 0 HE2 LYS A 29 29.431 0.084 -18.962 1.00 44.33 H new ATOM 0 HE3 LYS A 29 29.970 0.710 -20.508 1.00 44.33 H new ATOM 0 HZ1 LYS A 29 27.844 1.649 -19.876 1.00 60.14 H new ATOM 0 HZ2 LYS A 29 27.669 0.709 -21.280 1.00 60.14 H new ATOM 0 HZ3 LYS A 29 27.146 0.103 -19.782 1.00 60.14 H new ATOM 474 N ASP A 30 31.875 -3.363 -16.340 1.00 53.10 N ATOM 475 CA ASP A 30 32.743 -3.446 -15.171 1.00 53.21 C ATOM 476 C ASP A 30 32.507 -4.747 -14.411 1.00 25.13 C ATOM 477 O ASP A 30 32.299 -4.741 -13.197 1.00 63.13 O ATOM 478 CB ASP A 30 32.505 -2.250 -14.247 1.00 60.50 C ATOM 479 CG ASP A 30 31.109 -2.245 -13.655 1.00 43.22 C ATOM 480 OD1 ASP A 30 30.260 -3.027 -14.131 1.00 42.45 O ATOM 481 OD2 ASP A 30 30.866 -1.458 -12.716 1.00 53.13 O ATOM 0 H ASP A 30 30.986 -2.892 -16.172 1.00 53.10 H new ATOM 0 HA ASP A 30 33.777 -3.430 -15.514 1.00 53.21 H new ATOM 0 HB2 ASP A 30 33.238 -2.266 -13.441 1.00 60.50 H new ATOM 0 HB3 ASP A 30 32.664 -1.327 -14.804 1.00 60.50 H new ATOM 486 N LYS A 31 32.541 -5.862 -15.132 1.00 70.33 N ATOM 487 CA LYS A 31 32.332 -7.172 -14.527 1.00 72.32 C ATOM 488 C LYS A 31 33.614 -7.683 -13.878 1.00 63.04 C ATOM 489 O LYS A 31 33.571 -8.458 -12.923 1.00 4.22 O ATOM 490 CB LYS A 31 31.847 -8.172 -15.580 1.00 2.30 C ATOM 491 CG LYS A 31 32.745 -8.250 -16.803 1.00 31.33 C ATOM 492 CD LYS A 31 33.431 -9.602 -16.905 1.00 20.22 C ATOM 493 CE LYS A 31 34.758 -9.500 -17.641 1.00 52.44 C ATOM 494 NZ LYS A 31 34.655 -9.997 -19.041 1.00 61.51 N ATOM 0 H LYS A 31 32.712 -5.885 -16.137 1.00 70.33 H new ATOM 0 HA LYS A 31 31.570 -7.070 -13.754 1.00 72.32 H new ATOM 0 HB2 LYS A 31 31.779 -9.161 -15.126 1.00 2.30 H new ATOM 0 HB3 LYS A 31 30.841 -7.896 -15.895 1.00 2.30 H new ATOM 0 HG2 LYS A 31 32.154 -8.072 -17.701 1.00 31.33 H new ATOM 0 HG3 LYS A 31 33.497 -7.462 -16.755 1.00 31.33 H new ATOM 0 HD2 LYS A 31 33.598 -10.003 -15.905 1.00 20.22 H new ATOM 0 HD3 LYS A 31 32.779 -10.304 -17.425 1.00 20.22 H new ATOM 0 HE2 LYS A 31 35.091 -8.462 -17.648 1.00 52.44 H new ATOM 0 HE3 LYS A 31 35.515 -10.074 -17.107 1.00 52.44 H new ATOM 0 HZ1 LYS A 31 35.580 -9.911 -19.509 1.00 61.51 H new ATOM 0 HZ2 LYS A 31 34.362 -10.995 -19.034 1.00 61.51 H new ATOM 0 HZ3 LYS A 31 33.951 -9.433 -19.559 1.00 61.51 H new ATOM 508 N TRP A 32 34.752 -7.243 -14.403 1.00 25.33 N ATOM 509 CA TRP A 32 36.047 -7.655 -13.873 1.00 24.42 C ATOM 510 C TRP A 32 36.220 -7.188 -12.432 1.00 13.22 C ATOM 511 O TRP A 32 37.084 -7.681 -11.707 1.00 63.34 O ATOM 512 CB TRP A 32 37.177 -7.099 -14.741 1.00 22.30 C ATOM 513 CG TRP A 32 37.053 -5.630 -15.008 1.00 11.31 C ATOM 514 CD1 TRP A 32 36.456 -5.040 -16.086 1.00 22.14 C ATOM 515 CD2 TRP A 32 37.539 -4.565 -14.183 1.00 53.13 C ATOM 516 NE1 TRP A 32 36.542 -3.673 -15.981 1.00 12.34 N ATOM 517 CE2 TRP A 32 37.201 -3.356 -14.822 1.00 55.21 C ATOM 518 CE3 TRP A 32 38.224 -4.515 -12.967 1.00 4.13 C ATOM 519 CZ2 TRP A 32 37.527 -2.114 -14.284 1.00 52.34 C ATOM 520 CZ3 TRP A 32 38.548 -3.281 -12.435 1.00 33.34 C ATOM 521 CH2 TRP A 32 38.198 -2.094 -13.092 1.00 64.43 C ATOM 0 H TRP A 32 34.804 -6.602 -15.194 1.00 25.33 H new ATOM 0 HA TRP A 32 36.088 -8.744 -13.889 1.00 24.42 H new ATOM 0 HB2 TRP A 32 38.131 -7.293 -14.251 1.00 22.30 H new ATOM 0 HB3 TRP A 32 37.193 -7.634 -15.691 1.00 22.30 H new ATOM 0 HD1 TRP A 32 35.986 -5.570 -16.901 1.00 22.14 H new ATOM 0 HE1 TRP A 32 36.175 -3.003 -16.656 1.00 12.34 H new ATOM 0 HE3 TRP A 32 38.496 -5.424 -12.451 1.00 4.13 H new ATOM 0 HZ2 TRP A 32 37.259 -1.198 -14.790 1.00 52.34 H new ATOM 0 HZ3 TRP A 32 39.080 -3.231 -11.497 1.00 33.34 H new ATOM 0 HH2 TRP A 32 38.463 -1.145 -12.649 1.00 64.43 H new ATOM 532 N LYS A 33 35.392 -6.233 -12.021 1.00 74.40 N ATOM 533 CA LYS A 33 35.451 -5.700 -10.665 1.00 51.45 C ATOM 534 C LYS A 33 35.234 -6.804 -9.636 1.00 3.11 C ATOM 535 O LYS A 33 35.688 -6.701 -8.497 1.00 63.31 O ATOM 536 CB LYS A 33 34.400 -4.602 -10.481 1.00 21.41 C ATOM 537 CG LYS A 33 34.486 -3.497 -11.519 1.00 71.23 C ATOM 538 CD LYS A 33 35.591 -2.508 -11.191 1.00 3.14 C ATOM 539 CE LYS A 33 35.183 -1.569 -10.066 1.00 13.10 C ATOM 540 NZ LYS A 33 35.948 -1.834 -8.816 1.00 71.13 N ATOM 0 H LYS A 33 34.672 -5.812 -12.608 1.00 74.40 H new ATOM 0 HA LYS A 33 36.443 -5.275 -10.511 1.00 51.45 H new ATOM 0 HB2 LYS A 33 33.407 -5.051 -10.522 1.00 21.41 H new ATOM 0 HB3 LYS A 33 34.512 -4.166 -9.488 1.00 21.41 H new ATOM 0 HG2 LYS A 33 34.667 -3.933 -12.502 1.00 71.23 H new ATOM 0 HG3 LYS A 33 33.532 -2.973 -11.573 1.00 71.23 H new ATOM 0 HD2 LYS A 33 36.493 -3.050 -10.905 1.00 3.14 H new ATOM 0 HD3 LYS A 33 35.837 -1.927 -12.080 1.00 3.14 H new ATOM 0 HE2 LYS A 33 35.344 -0.537 -10.378 1.00 13.10 H new ATOM 0 HE3 LYS A 33 34.117 -1.680 -9.869 1.00 13.10 H new ATOM 0 HZ1 LYS A 33 35.452 -1.406 -8.008 1.00 71.13 H new ATOM 0 HZ2 LYS A 33 36.028 -2.860 -8.669 1.00 71.13 H new ATOM 0 HZ3 LYS A 33 36.899 -1.421 -8.897 1.00 71.13 H new ATOM 554 N ASN A 34 34.539 -7.860 -10.045 1.00 71.10 N ATOM 555 CA ASN A 34 34.263 -8.984 -9.158 1.00 23.23 C ATOM 556 C ASN A 34 35.322 -10.072 -9.313 1.00 10.25 C ATOM 557 O ASN A 34 35.182 -11.169 -8.772 1.00 62.41 O ATOM 558 CB ASN A 34 32.876 -9.562 -9.448 1.00 5.22 C ATOM 559 CG ASN A 34 31.873 -9.231 -8.360 1.00 23.34 C ATOM 560 OD1 ASN A 34 31.399 -10.117 -7.648 1.00 12.44 O ATOM 561 ND2 ASN A 34 31.545 -7.951 -8.226 1.00 64.43 N ATOM 0 H ASN A 34 34.157 -7.961 -10.985 1.00 71.10 H new ATOM 0 HA ASN A 34 34.289 -8.619 -8.131 1.00 23.23 H new ATOM 0 HB2 ASN A 34 32.516 -9.174 -10.401 1.00 5.22 H new ATOM 0 HB3 ASN A 34 32.951 -10.644 -9.552 1.00 5.22 H new ATOM 0 HD21 ASN A 34 30.875 -7.668 -7.511 1.00 64.43 H new ATOM 0 HD22 ASN A 34 31.963 -7.251 -8.838 1.00 64.43 H new ATOM 568 N ILE A 35 36.380 -9.759 -10.053 1.00 11.21 N ATOM 569 CA ILE A 35 37.463 -10.708 -10.277 1.00 73.42 C ATOM 570 C ILE A 35 38.820 -10.015 -10.234 1.00 0.25 C ATOM 571 O ILE A 35 39.811 -10.593 -9.788 1.00 31.54 O ATOM 572 CB ILE A 35 37.310 -11.428 -11.630 1.00 54.55 C ATOM 573 CG1 ILE A 35 36.061 -12.312 -11.625 1.00 12.45 C ATOM 574 CG2 ILE A 35 38.550 -12.255 -11.934 1.00 33.12 C ATOM 575 CD1 ILE A 35 35.413 -12.451 -12.984 1.00 73.01 C ATOM 0 H ILE A 35 36.510 -8.855 -10.508 1.00 11.21 H new ATOM 0 HA ILE A 35 37.408 -11.444 -9.474 1.00 73.42 H new ATOM 0 HB ILE A 35 37.197 -10.678 -12.412 1.00 54.55 H new ATOM 0 HG12 ILE A 35 36.328 -13.302 -11.256 1.00 12.45 H new ATOM 0 HG13 ILE A 35 35.335 -11.897 -10.926 1.00 12.45 H new ATOM 0 HG21 ILE A 35 38.426 -12.757 -12.893 1.00 33.12 H new ATOM 0 HG22 ILE A 35 39.422 -11.602 -11.976 1.00 33.12 H new ATOM 0 HG23 ILE A 35 38.692 -12.999 -11.150 1.00 33.12 H new ATOM 0 HD11 ILE A 35 34.534 -13.091 -12.904 1.00 73.01 H new ATOM 0 HD12 ILE A 35 35.114 -11.468 -13.347 1.00 73.01 H new ATOM 0 HD13 ILE A 35 36.123 -12.895 -13.682 1.00 73.01 H new TER 587 ILE A 35