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+ -161:sc=-0.00763 (180deg=-0.291) USER MOD Single : A 1 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00184) 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= -1.04 X(o=-1,f=-0.56) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.578 X(o=-0.58,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.949 2.228 -6.367 1.00 71.23 N ATOM 2 CA LYS A 1 2.555 2.094 -4.970 1.00 22.02 C ATOM 3 C LYS A 1 3.693 1.511 -4.138 1.00 33.25 C ATOM 4 O LYS A 1 3.896 1.899 -2.987 1.00 65.10 O ATOM 5 CB LYS A 1 1.315 1.206 -4.851 1.00 33.22 C ATOM 6 CG LYS A 1 0.068 1.816 -5.468 1.00 1.25 C ATOM 7 CD LYS A 1 -0.976 2.138 -4.412 1.00 33.33 C ATOM 8 CE LYS A 1 -0.792 3.541 -3.854 1.00 63.31 C ATOM 9 NZ LYS A 1 -1.315 4.580 -4.783 1.00 53.11 N ATOM 0 H1 LYS A 1 2.315 2.901 -6.843 1.00 71.23 H new ATOM 0 H2 LYS A 1 3.927 2.577 -6.420 1.00 71.23 H new ATOM 0 H3 LYS A 1 2.886 1.302 -6.836 1.00 71.23 H new ATOM 0 HA LYS A 1 2.320 3.087 -4.588 1.00 22.02 H new ATOM 0 HB2 LYS A 1 1.517 0.249 -5.331 1.00 33.22 H new ATOM 0 HB3 LYS A 1 1.126 1.000 -3.797 1.00 33.22 H new ATOM 0 HG2 LYS A 1 0.335 2.725 -6.006 1.00 1.25 H new ATOM 0 HG3 LYS A 1 -0.353 1.125 -6.198 1.00 1.25 H new ATOM 0 HD2 LYS A 1 -1.972 2.045 -4.844 1.00 33.33 H new ATOM 0 HD3 LYS A 1 -0.911 1.412 -3.602 1.00 33.33 H new ATOM 0 HE2 LYS A 1 -1.304 3.620 -2.895 1.00 63.31 H new ATOM 0 HE3 LYS A 1 0.266 3.721 -3.666 1.00 63.31 H new ATOM 0 HZ1 LYS A 1 -0.837 5.485 -4.597 1.00 53.11 H new ATOM 0 HZ2 LYS A 1 -1.136 4.289 -5.765 1.00 53.11 H new ATOM 0 HZ3 LYS A 1 -2.338 4.693 -4.637 1.00 53.11 H new ATOM 23 N LYS A 2 4.432 0.577 -4.727 1.00 5.53 N ATOM 24 CA LYS A 2 5.552 -0.058 -4.041 1.00 53.15 C ATOM 25 C LYS A 2 6.456 -0.783 -5.033 1.00 40.00 C ATOM 26 O LYS A 2 5.986 -1.329 -6.031 1.00 40.34 O ATOM 27 CB LYS A 2 5.039 -1.043 -2.988 1.00 40.42 C ATOM 28 CG LYS A 2 5.689 -0.870 -1.626 1.00 43.14 C ATOM 29 CD LYS A 2 4.681 -0.427 -0.579 1.00 43.23 C ATOM 30 CE LYS A 2 5.047 -0.948 0.802 1.00 73.51 C ATOM 31 NZ LYS A 2 4.540 -2.331 1.025 1.00 40.14 N ATOM 0 H LYS A 2 4.276 0.243 -5.678 1.00 5.53 H new ATOM 0 HA LYS A 2 6.134 0.721 -3.548 1.00 53.15 H new ATOM 0 HB2 LYS A 2 3.961 -0.922 -2.885 1.00 40.42 H new ATOM 0 HB3 LYS A 2 5.214 -2.060 -3.338 1.00 40.42 H new ATOM 0 HG2 LYS A 2 6.146 -1.811 -1.318 1.00 43.14 H new ATOM 0 HG3 LYS A 2 6.490 -0.134 -1.695 1.00 43.14 H new ATOM 0 HD2 LYS A 2 4.632 0.662 -0.557 1.00 43.23 H new ATOM 0 HD3 LYS A 2 3.689 -0.785 -0.853 1.00 43.23 H new ATOM 0 HE2 LYS A 2 6.131 -0.935 0.920 1.00 73.51 H new ATOM 0 HE3 LYS A 2 4.636 -0.283 1.562 1.00 73.51 H new ATOM 0 HZ1 LYS A 2 4.810 -2.650 1.977 1.00 40.14 H new ATOM 0 HZ2 LYS A 2 3.504 -2.339 0.938 1.00 40.14 H new ATOM 0 HZ3 LYS A 2 4.952 -2.970 0.316 1.00 40.14 H new ATOM 45 N TRP A 3 7.754 -0.786 -4.750 1.00 54.44 N ATOM 46 CA TRP A 3 8.723 -1.446 -5.618 1.00 1.55 C ATOM 47 C TRP A 3 8.655 -2.960 -5.457 1.00 21.15 C ATOM 48 O TRP A 3 8.920 -3.706 -6.398 1.00 21.40 O ATOM 49 CB TRP A 3 10.136 -0.950 -5.307 1.00 24.14 C ATOM 50 CG TRP A 3 10.623 -1.356 -3.948 1.00 54.12 C ATOM 51 CD1 TRP A 3 11.186 -2.551 -3.602 1.00 72.05 C ATOM 52 CD2 TRP A 3 10.587 -0.567 -2.754 1.00 53.31 C ATOM 53 NE1 TRP A 3 11.502 -2.552 -2.265 1.00 61.43 N ATOM 54 CE2 TRP A 3 11.145 -1.346 -1.723 1.00 24.45 C ATOM 55 CE3 TRP A 3 10.139 0.723 -2.456 1.00 50.13 C ATOM 56 CZ2 TRP A 3 11.266 -0.877 -0.417 1.00 72.31 C ATOM 57 CZ3 TRP A 3 10.259 1.187 -1.160 1.00 52.12 C ATOM 58 CH2 TRP A 3 10.819 0.389 -0.154 1.00 1.11 C ATOM 0 H TRP A 3 8.159 -0.339 -3.927 1.00 54.44 H new ATOM 0 HA TRP A 3 8.477 -1.198 -6.651 1.00 1.55 H new ATOM 0 HB2 TRP A 3 10.823 -1.335 -6.061 1.00 24.14 H new ATOM 0 HB3 TRP A 3 10.157 0.137 -5.383 1.00 24.14 H new ATOM 0 HD1 TRP A 3 11.358 -3.374 -4.280 1.00 72.05 H new ATOM 0 HE1 TRP A 3 11.933 -3.325 -1.758 1.00 61.43 H new ATOM 0 HE3 TRP A 3 9.707 1.346 -3.225 1.00 50.13 H new ATOM 0 HZ2 TRP A 3 11.697 -1.491 0.360 1.00 72.31 H new ATOM 0 HZ3 TRP A 3 9.915 2.182 -0.918 1.00 52.12 H new ATOM 0 HH2 TRP A 3 10.899 0.781 0.849 1.00 1.11 H new ATOM 69 N GLY A 4 8.298 -3.408 -4.257 1.00 32.33 N ATOM 70 CA GLY A 4 8.202 -4.832 -3.995 1.00 74.52 C ATOM 71 C GLY A 4 7.008 -5.468 -4.679 1.00 73.24 C ATOM 72 O GLY A 4 7.024 -6.659 -4.991 1.00 31.13 O ATOM 0 H GLY A 4 8.074 -2.810 -3.462 1.00 32.33 H new ATOM 0 HA2 GLY A 4 9.115 -5.323 -4.333 1.00 74.52 H new ATOM 0 HA3 GLY A 4 8.131 -4.997 -2.920 1.00 74.52 H new ATOM 76 N TRP A 5 5.969 -4.674 -4.912 1.00 45.45 N ATOM 77 CA TRP A 5 4.761 -5.167 -5.563 1.00 13.21 C ATOM 78 C TRP A 5 5.005 -5.417 -7.047 1.00 35.41 C ATOM 79 O TRP A 5 4.370 -6.281 -7.653 1.00 74.34 O ATOM 80 CB TRP A 5 3.616 -4.168 -5.383 1.00 23.11 C ATOM 81 CG TRP A 5 2.297 -4.682 -5.874 1.00 52.32 C ATOM 82 CD1 TRP A 5 1.884 -4.770 -7.173 1.00 13.21 C ATOM 83 CD2 TRP A 5 1.218 -5.176 -5.074 1.00 33.15 C ATOM 84 NE1 TRP A 5 0.613 -5.289 -7.228 1.00 33.12 N ATOM 85 CE2 TRP A 5 0.182 -5.548 -5.953 1.00 43.54 C ATOM 86 CE3 TRP A 5 1.026 -5.343 -3.699 1.00 61.24 C ATOM 87 CZ2 TRP A 5 -1.025 -6.074 -5.502 1.00 11.33 C ATOM 88 CZ3 TRP A 5 -0.173 -5.865 -3.253 1.00 22.23 C ATOM 89 CH2 TRP A 5 -1.186 -6.226 -4.151 1.00 64.23 C ATOM 0 H TRP A 5 5.939 -3.686 -4.660 1.00 45.45 H new ATOM 0 HA TRP A 5 4.486 -6.112 -5.095 1.00 13.21 H new ATOM 0 HB2 TRP A 5 3.528 -3.913 -4.327 1.00 23.11 H new ATOM 0 HB3 TRP A 5 3.860 -3.248 -5.914 1.00 23.11 H new ATOM 0 HD1 TRP A 5 2.470 -4.475 -8.031 1.00 13.21 H new ATOM 0 HE1 TRP A 5 0.077 -5.455 -8.080 1.00 33.12 H new ATOM 0 HE3 TRP A 5 1.801 -5.069 -2.998 1.00 61.24 H new ATOM 0 HZ2 TRP A 5 -1.807 -6.352 -6.193 1.00 11.33 H new ATOM 0 HZ3 TRP A 5 -0.332 -5.997 -2.193 1.00 22.23 H new ATOM 0 HH2 TRP A 5 -2.112 -6.632 -3.770 1.00 64.23 H new ATOM 100 N LEU A 6 5.927 -4.658 -7.627 1.00 2.21 N ATOM 101 CA LEU A 6 6.255 -4.798 -9.041 1.00 62.14 C ATOM 102 C LEU A 6 7.222 -5.956 -9.264 1.00 24.42 C ATOM 103 O LEU A 6 7.133 -6.669 -10.263 1.00 22.43 O ATOM 104 CB LEU A 6 6.864 -3.500 -9.575 1.00 62.42 C ATOM 105 CG LEU A 6 7.618 -3.608 -10.901 1.00 73.33 C ATOM 106 CD1 LEU A 6 6.723 -4.204 -11.977 1.00 34.22 C ATOM 107 CD2 LEU A 6 8.137 -2.244 -11.332 1.00 72.43 C ATOM 0 H LEU A 6 6.461 -3.939 -7.140 1.00 2.21 H new ATOM 0 HA LEU A 6 5.333 -5.009 -9.583 1.00 62.14 H new ATOM 0 HB2 LEU A 6 6.064 -2.769 -9.693 1.00 62.42 H new ATOM 0 HB3 LEU A 6 7.547 -3.106 -8.823 1.00 62.42 H new ATOM 0 HG LEU A 6 8.471 -4.271 -10.759 1.00 73.33 H new ATOM 0 HD11 LEU A 6 7.276 -4.273 -12.913 1.00 34.22 H new ATOM 0 HD12 LEU A 6 6.400 -5.199 -11.672 1.00 34.22 H new ATOM 0 HD13 LEU A 6 5.850 -3.567 -12.118 1.00 34.22 H new ATOM 0 HD21 LEU A 6 8.671 -2.340 -12.277 1.00 72.43 H new ATOM 0 HD22 LEU A 6 7.299 -1.559 -11.457 1.00 72.43 H new ATOM 0 HD23 LEU A 6 8.814 -1.855 -10.571 1.00 72.43 H new ATOM 119 N ALA A 7 8.145 -6.139 -8.325 1.00 10.33 N ATOM 120 CA ALA A 7 9.126 -7.213 -8.416 1.00 0.11 C ATOM 121 C ALA A 7 8.449 -8.579 -8.386 1.00 52.10 C ATOM 122 O ALA A 7 8.963 -9.549 -8.942 1.00 60.22 O ATOM 123 CB ALA A 7 10.140 -7.099 -7.287 1.00 34.31 C ATOM 0 H ALA A 7 8.234 -5.557 -7.492 1.00 10.33 H new ATOM 0 HA ALA A 7 9.647 -7.116 -9.368 1.00 0.11 H new ATOM 0 HB1 ALA A 7 10.867 -7.908 -7.367 1.00 34.31 H new ATOM 0 HB2 ALA A 7 10.655 -6.141 -7.356 1.00 34.31 H new ATOM 0 HB3 ALA A 7 9.626 -7.167 -6.328 1.00 34.31 H new ATOM 129 N TRP A 8 7.294 -8.647 -7.733 1.00 62.14 N ATOM 130 CA TRP A 8 6.547 -9.896 -7.631 1.00 1.43 C ATOM 131 C TRP A 8 6.079 -10.364 -9.004 1.00 32.22 C ATOM 132 O TRP A 8 5.991 -11.564 -9.264 1.00 70.24 O ATOM 133 CB TRP A 8 5.345 -9.720 -6.701 1.00 4.31 C ATOM 134 CG TRP A 8 5.659 -10.009 -5.264 1.00 12.20 C ATOM 135 CD1 TRP A 8 6.838 -9.770 -4.618 1.00 43.23 C ATOM 136 CD2 TRP A 8 4.780 -10.593 -4.296 1.00 43.20 C ATOM 137 NE1 TRP A 8 6.746 -10.170 -3.307 1.00 72.21 N ATOM 138 CE2 TRP A 8 5.493 -10.678 -3.084 1.00 42.40 C ATOM 139 CE3 TRP A 8 3.460 -11.050 -4.334 1.00 65.23 C ATOM 140 CZ2 TRP A 8 4.929 -11.202 -1.924 1.00 62.32 C ATOM 141 CZ3 TRP A 8 2.902 -11.571 -3.182 1.00 43.05 C ATOM 142 CH2 TRP A 8 3.635 -11.643 -1.990 1.00 44.15 C ATOM 0 H TRP A 8 6.855 -7.853 -7.267 1.00 62.14 H new ATOM 0 HA TRP A 8 7.211 -10.655 -7.216 1.00 1.43 H new ATOM 0 HB2 TRP A 8 4.975 -8.698 -6.786 1.00 4.31 H new ATOM 0 HB3 TRP A 8 4.541 -10.379 -7.029 1.00 4.31 H new ATOM 0 HD1 TRP A 8 7.714 -9.331 -5.071 1.00 43.23 H new ATOM 0 HE1 TRP A 8 7.490 -10.100 -2.612 1.00 72.21 H new ATOM 0 HE3 TRP A 8 2.886 -10.997 -5.247 1.00 65.23 H new ATOM 0 HZ2 TRP A 8 5.493 -11.259 -1.004 1.00 62.32 H new ATOM 0 HZ3 TRP A 8 1.883 -11.929 -3.201 1.00 43.05 H new ATOM 0 HH2 TRP A 8 3.170 -12.054 -1.106 1.00 44.15 H new ATOM 153 N VAL A 9 5.779 -9.410 -9.880 1.00 21.23 N ATOM 154 CA VAL A 9 5.321 -9.726 -11.227 1.00 71.13 C ATOM 155 C VAL A 9 6.431 -10.372 -12.048 1.00 45.11 C ATOM 156 O VAL A 9 6.169 -11.170 -12.948 1.00 55.53 O ATOM 157 CB VAL A 9 4.822 -8.467 -11.960 1.00 51.41 C ATOM 158 CG1 VAL A 9 4.207 -8.837 -13.301 1.00 60.31 C ATOM 159 CG2 VAL A 9 3.824 -7.709 -11.098 1.00 33.24 C ATOM 0 H VAL A 9 5.845 -8.412 -9.680 1.00 21.23 H new ATOM 0 HA VAL A 9 4.494 -10.429 -11.123 1.00 71.13 H new ATOM 0 HB VAL A 9 5.675 -7.815 -12.147 1.00 51.41 H new ATOM 0 HG11 VAL A 9 3.860 -7.934 -13.804 1.00 60.31 H new ATOM 0 HG12 VAL A 9 4.955 -9.333 -13.920 1.00 60.31 H new ATOM 0 HG13 VAL A 9 3.364 -9.510 -13.142 1.00 60.31 H new ATOM 0 HG21 VAL A 9 3.482 -6.822 -11.632 1.00 33.24 H new ATOM 0 HG22 VAL A 9 2.971 -8.352 -10.878 1.00 33.24 H new ATOM 0 HG23 VAL A 9 4.302 -7.409 -10.166 1.00 33.24 H new ATOM 169 N ASP A 10 7.673 -10.022 -11.731 1.00 63.52 N ATOM 170 CA ASP A 10 8.826 -10.569 -12.438 1.00 75.33 C ATOM 171 C ASP A 10 8.837 -10.112 -13.894 1.00 30.33 C ATOM 172 O ASP A 10 8.648 -10.902 -14.819 1.00 52.24 O ATOM 173 CB ASP A 10 8.814 -12.097 -12.371 1.00 24.24 C ATOM 174 CG ASP A 10 10.207 -12.690 -12.449 1.00 63.43 C ATOM 175 OD1 ASP A 10 11.119 -11.998 -12.946 1.00 45.43 O ATOM 176 OD2 ASP A 10 10.385 -13.848 -12.015 1.00 1.24 O ATOM 0 H ASP A 10 7.907 -9.362 -10.989 1.00 63.52 H new ATOM 0 HA ASP A 10 9.729 -10.199 -11.952 1.00 75.33 H new ATOM 0 HB2 ASP A 10 8.339 -12.413 -11.442 1.00 24.24 H new ATOM 0 HB3 ASP A 10 8.209 -12.489 -13.188 1.00 24.24 H new ATOM 181 N PRO A 11 9.063 -8.807 -14.103 1.00 10.23 N ATOM 182 CA PRO A 11 9.104 -8.215 -15.443 1.00 72.12 C ATOM 183 C PRO A 11 10.332 -8.654 -16.234 1.00 34.44 C ATOM 184 O PRO A 11 10.277 -8.799 -17.454 1.00 55.35 O ATOM 185 CB PRO A 11 9.157 -6.711 -15.165 1.00 52.35 C ATOM 186 CG PRO A 11 9.760 -6.597 -13.808 1.00 61.11 C ATOM 187 CD PRO A 11 9.297 -7.808 -13.046 1.00 54.13 C ATOM 0 HA PRO A 11 8.251 -8.521 -16.049 1.00 72.12 H new ATOM 0 HB2 PRO A 11 9.759 -6.192 -15.911 1.00 52.35 H new ATOM 0 HB3 PRO A 11 8.162 -6.268 -15.194 1.00 52.35 H new ATOM 0 HG2 PRO A 11 10.848 -6.565 -13.866 1.00 61.11 H new ATOM 0 HG3 PRO A 11 9.440 -5.679 -13.314 1.00 61.11 H new ATOM 0 HD2 PRO A 11 10.049 -8.146 -12.333 1.00 54.13 H new ATOM 0 HD3 PRO A 11 8.389 -7.603 -12.479 1.00 54.13 H new ATOM 195 N ALA A 12 11.439 -8.866 -15.529 1.00 54.02 N ATOM 196 CA ALA A 12 12.679 -9.291 -16.165 1.00 62.43 C ATOM 197 C ALA A 12 12.500 -10.626 -16.881 1.00 55.32 C ATOM 198 O ALA A 12 12.910 -10.784 -18.031 1.00 74.33 O ATOM 199 CB ALA A 12 13.794 -9.389 -15.135 1.00 21.14 C ATOM 0 H ALA A 12 11.502 -8.750 -14.518 1.00 54.02 H new ATOM 0 HA ALA A 12 12.951 -8.543 -16.909 1.00 62.43 H new ATOM 0 HB1 ALA A 12 14.714 -9.708 -15.624 1.00 21.14 H new ATOM 0 HB2 ALA A 12 13.948 -8.414 -14.672 1.00 21.14 H new ATOM 0 HB3 ALA A 12 13.520 -10.115 -14.370 1.00 21.14 H new ATOM 205 N TYR A 13 11.885 -11.582 -16.194 1.00 63.31 N ATOM 206 CA TYR A 13 11.654 -12.904 -16.764 1.00 25.52 C ATOM 207 C TYR A 13 10.977 -12.800 -18.127 1.00 11.23 C ATOM 208 O TYR A 13 11.551 -13.178 -19.147 1.00 51.33 O ATOM 209 CB TYR A 13 10.796 -13.747 -15.819 1.00 25.34 C ATOM 210 CG TYR A 13 11.062 -15.232 -15.922 1.00 73.31 C ATOM 211 CD1 TYR A 13 11.004 -15.884 -17.148 1.00 23.21 C ATOM 212 CD2 TYR A 13 11.369 -15.984 -14.794 1.00 54.54 C ATOM 213 CE1 TYR A 13 11.245 -17.241 -17.247 1.00 42.13 C ATOM 214 CE2 TYR A 13 11.612 -17.340 -14.885 1.00 24.24 C ATOM 215 CZ TYR A 13 11.549 -17.964 -16.113 1.00 63.40 C ATOM 216 OH TYR A 13 11.790 -19.316 -16.207 1.00 1.02 O ATOM 0 H TYR A 13 11.538 -11.466 -15.242 1.00 63.31 H new ATOM 0 HA TYR A 13 12.622 -13.388 -16.896 1.00 25.52 H new ATOM 0 HB2 TYR A 13 10.976 -13.424 -14.793 1.00 25.34 H new ATOM 0 HB3 TYR A 13 9.744 -13.559 -16.032 1.00 25.34 H new ATOM 0 HD1 TYR A 13 10.767 -15.321 -18.038 1.00 23.21 H new ATOM 0 HD2 TYR A 13 11.418 -15.499 -13.830 1.00 54.54 H new ATOM 0 HE1 TYR A 13 11.196 -17.733 -18.207 1.00 42.13 H new ATOM 0 HE2 TYR A 13 11.850 -17.909 -13.999 1.00 24.24 H new ATOM 0 HH TYR A 13 11.990 -19.675 -15.317 1.00 1.02 H new ATOM 226 N GLU A 14 9.752 -12.283 -18.133 1.00 70.22 N ATOM 227 CA GLU A 14 8.996 -12.129 -19.370 1.00 55.42 C ATOM 228 C GLU A 14 9.758 -11.263 -20.369 1.00 73.15 C ATOM 229 O GLU A 14 9.661 -11.462 -21.581 1.00 22.24 O ATOM 230 CB GLU A 14 7.626 -11.509 -19.083 1.00 22.23 C ATOM 231 CG GLU A 14 6.831 -11.182 -20.335 1.00 40.04 C ATOM 232 CD GLU A 14 5.357 -10.969 -20.052 1.00 33.54 C ATOM 233 OE1 GLU A 14 4.724 -11.885 -19.485 1.00 62.53 O ATOM 234 OE2 GLU A 14 4.835 -9.888 -20.396 1.00 25.33 O ATOM 0 H GLU A 14 9.263 -11.964 -17.296 1.00 70.22 H new ATOM 0 HA GLU A 14 8.856 -13.118 -19.805 1.00 55.42 H new ATOM 0 HB2 GLU A 14 7.048 -12.196 -18.465 1.00 22.23 H new ATOM 0 HB3 GLU A 14 7.764 -10.597 -18.502 1.00 22.23 H new ATOM 0 HG2 GLU A 14 7.242 -10.284 -20.797 1.00 40.04 H new ATOM 0 HG3 GLU A 14 6.945 -11.992 -21.055 1.00 40.04 H new ATOM 241 N PHE A 15 10.515 -10.301 -19.853 1.00 41.00 N ATOM 242 CA PHE A 15 11.293 -9.403 -20.699 1.00 20.30 C ATOM 243 C PHE A 15 12.373 -10.170 -21.457 1.00 54.03 C ATOM 244 O PHE A 15 12.696 -9.842 -22.599 1.00 53.43 O ATOM 245 CB PHE A 15 11.933 -8.300 -19.855 1.00 3.45 C ATOM 246 CG PHE A 15 12.689 -7.287 -20.666 1.00 5.43 C ATOM 247 CD1 PHE A 15 12.030 -6.220 -21.256 1.00 23.41 C ATOM 248 CD2 PHE A 15 14.059 -7.401 -20.838 1.00 65.05 C ATOM 249 CE1 PHE A 15 12.723 -5.286 -22.003 1.00 22.23 C ATOM 250 CE2 PHE A 15 14.758 -6.470 -21.584 1.00 13.22 C ATOM 251 CZ PHE A 15 14.089 -5.412 -22.168 1.00 14.24 C ATOM 0 H PHE A 15 10.607 -10.123 -18.853 1.00 41.00 H new ATOM 0 HA PHE A 15 10.617 -8.950 -21.424 1.00 20.30 H new ATOM 0 HB2 PHE A 15 11.155 -7.791 -19.286 1.00 3.45 H new ATOM 0 HB3 PHE A 15 12.611 -8.754 -19.132 1.00 3.45 H new ATOM 0 HD1 PHE A 15 10.962 -6.117 -21.131 1.00 23.41 H new ATOM 0 HD2 PHE A 15 14.587 -8.227 -20.384 1.00 65.05 H new ATOM 0 HE1 PHE A 15 12.197 -4.459 -22.457 1.00 22.23 H new ATOM 0 HE2 PHE A 15 15.826 -6.570 -21.710 1.00 13.22 H new ATOM 0 HZ PHE A 15 14.633 -4.685 -22.753 1.00 14.24 H new ATOM 261 N ILE A 16 12.927 -11.192 -20.814 1.00 14.12 N ATOM 262 CA ILE A 16 13.969 -12.006 -21.427 1.00 0.50 C ATOM 263 C ILE A 16 13.395 -12.905 -22.517 1.00 10.34 C ATOM 264 O ILE A 16 14.014 -13.106 -23.561 1.00 65.33 O ATOM 265 CB ILE A 16 14.689 -12.879 -20.383 1.00 32.15 C ATOM 266 CG1 ILE A 16 15.305 -12.003 -19.290 1.00 15.22 C ATOM 267 CG2 ILE A 16 15.757 -13.731 -21.051 1.00 24.23 C ATOM 268 CD1 ILE A 16 15.175 -12.588 -17.901 1.00 74.21 C ATOM 0 H ILE A 16 12.672 -11.476 -19.868 1.00 14.12 H new ATOM 0 HA ILE A 16 14.688 -11.317 -21.870 1.00 0.50 H new ATOM 0 HB ILE A 16 13.959 -13.543 -19.921 1.00 32.15 H new ATOM 0 HG12 ILE A 16 16.361 -11.847 -19.512 1.00 15.22 H new ATOM 0 HG13 ILE A 16 14.828 -11.023 -19.309 1.00 15.22 H new ATOM 0 HG21 ILE A 16 16.257 -14.342 -20.300 1.00 24.23 H new ATOM 0 HG22 ILE A 16 15.293 -14.378 -21.796 1.00 24.23 H new ATOM 0 HG23 ILE A 16 16.487 -13.084 -21.537 1.00 24.23 H new ATOM 0 HD11 ILE A 16 15.634 -11.914 -17.178 1.00 74.21 H new ATOM 0 HD12 ILE A 16 14.120 -12.718 -17.658 1.00 74.21 H new ATOM 0 HD13 ILE A 16 15.677 -13.555 -17.865 1.00 74.21 H new ATOM 280 N LYS A 17 12.206 -13.442 -22.267 1.00 33.11 N ATOM 281 CA LYS A 17 11.544 -14.318 -23.227 1.00 44.30 C ATOM 282 C LYS A 17 10.949 -13.513 -24.378 1.00 1.54 C ATOM 283 O LYS A 17 10.639 -14.059 -25.435 1.00 71.03 O ATOM 284 CB LYS A 17 10.446 -15.129 -22.536 1.00 50.02 C ATOM 285 CG LYS A 17 10.822 -15.597 -21.141 1.00 72.30 C ATOM 286 CD LYS A 17 10.065 -16.857 -20.753 1.00 5.30 C ATOM 287 CE LYS A 17 8.963 -16.558 -19.748 1.00 45.31 C ATOM 288 NZ LYS A 17 7.632 -16.438 -20.404 1.00 60.33 N ATOM 0 H LYS A 17 11.680 -13.286 -21.407 1.00 33.11 H new ATOM 0 HA LYS A 17 12.290 -15.001 -23.633 1.00 44.30 H new ATOM 0 HB2 LYS A 17 9.542 -14.523 -22.475 1.00 50.02 H new ATOM 0 HB3 LYS A 17 10.207 -15.998 -23.149 1.00 50.02 H new ATOM 0 HG2 LYS A 17 11.894 -15.787 -21.097 1.00 72.30 H new ATOM 0 HG3 LYS A 17 10.609 -14.807 -20.421 1.00 72.30 H new ATOM 0 HD2 LYS A 17 9.633 -17.312 -21.644 1.00 5.30 H new ATOM 0 HD3 LYS A 17 10.758 -17.583 -20.329 1.00 5.30 H new ATOM 0 HE2 LYS A 17 8.929 -17.350 -19.000 1.00 45.31 H new ATOM 0 HE3 LYS A 17 9.193 -15.632 -19.221 1.00 45.31 H new ATOM 0 HZ1 LYS A 17 6.908 -16.234 -19.686 1.00 60.33 H new ATOM 0 HZ2 LYS A 17 7.656 -15.666 -21.100 1.00 60.33 H new ATOM 0 HZ3 LYS A 17 7.400 -17.330 -20.885 1.00 60.33 H new ATOM 302 N GLY A 18 10.793 -12.209 -24.164 1.00 25.40 N ATOM 303 CA GLY A 18 10.237 -11.350 -25.193 1.00 21.32 C ATOM 304 C GLY A 18 11.304 -10.751 -26.087 1.00 42.02 C ATOM 305 O GLY A 18 11.059 -9.766 -26.784 1.00 3.34 O ATOM 0 H GLY A 18 11.042 -11.733 -23.297 1.00 25.40 H new ATOM 0 HA2 GLY A 18 9.537 -11.923 -25.801 1.00 21.32 H new ATOM 0 HA3 GLY A 18 9.668 -10.547 -24.724 1.00 21.32 H new ATOM 309 N PHE A 19 12.493 -11.345 -26.068 1.00 34.42 N ATOM 310 CA PHE A 19 13.602 -10.862 -26.881 1.00 63.54 C ATOM 311 C PHE A 19 13.178 -10.697 -28.338 1.00 35.24 C ATOM 312 O PHE A 19 12.394 -11.488 -28.861 1.00 32.23 O ATOM 313 CB PHE A 19 14.787 -11.827 -26.790 1.00 52.22 C ATOM 314 CG PHE A 19 14.531 -13.154 -27.445 1.00 32.22 C ATOM 315 CD1 PHE A 19 14.747 -13.325 -28.803 1.00 14.21 C ATOM 316 CD2 PHE A 19 14.075 -14.231 -26.702 1.00 61.42 C ATOM 317 CE1 PHE A 19 14.511 -14.545 -29.408 1.00 1.13 C ATOM 318 CE2 PHE A 19 13.838 -15.454 -27.302 1.00 23.24 C ATOM 319 CZ PHE A 19 14.058 -15.611 -28.656 1.00 74.30 C ATOM 0 H PHE A 19 12.713 -12.162 -25.498 1.00 34.42 H new ATOM 0 HA PHE A 19 13.904 -9.888 -26.496 1.00 63.54 H new ATOM 0 HB2 PHE A 19 15.658 -11.364 -27.253 1.00 52.22 H new ATOM 0 HB3 PHE A 19 15.033 -11.990 -25.741 1.00 52.22 H new ATOM 0 HD1 PHE A 19 15.104 -12.495 -29.395 1.00 14.21 H new ATOM 0 HD2 PHE A 19 13.903 -14.114 -25.642 1.00 61.42 H new ATOM 0 HE1 PHE A 19 14.681 -14.665 -30.468 1.00 1.13 H new ATOM 0 HE2 PHE A 19 13.481 -16.285 -26.712 1.00 23.24 H new ATOM 0 HZ PHE A 19 13.876 -16.566 -29.126 1.00 74.30 H new ATOM 329 N GLY A 20 13.701 -9.662 -28.987 1.00 1.42 N ATOM 330 CA GLY A 20 13.365 -9.410 -30.376 1.00 14.11 C ATOM 331 C GLY A 20 12.579 -8.127 -30.559 1.00 11.43 C ATOM 332 O GLY A 20 12.808 -7.379 -31.510 1.00 20.12 O ATOM 0 H GLY A 20 14.352 -8.993 -28.576 1.00 1.42 H new ATOM 0 HA2 GLY A 20 14.281 -9.358 -30.964 1.00 14.11 H new ATOM 0 HA3 GLY A 20 12.784 -10.247 -30.764 1.00 14.11 H new ATOM 336 N LYS A 21 11.648 -7.870 -29.646 1.00 54.13 N ATOM 337 CA LYS A 21 10.824 -6.669 -29.710 1.00 51.52 C ATOM 338 C LYS A 21 11.661 -5.420 -29.451 1.00 22.33 C ATOM 339 O LYS A 21 11.304 -4.322 -29.875 1.00 61.22 O ATOM 340 CB LYS A 21 9.684 -6.752 -28.692 1.00 43.11 C ATOM 341 CG LYS A 21 10.157 -6.983 -27.267 1.00 63.04 C ATOM 342 CD LYS A 21 10.368 -5.671 -26.530 1.00 64.22 C ATOM 343 CE LYS A 21 9.545 -5.611 -25.253 1.00 54.30 C ATOM 344 NZ LYS A 21 8.101 -5.377 -25.535 1.00 21.33 N ATOM 0 H LYS A 21 11.445 -8.478 -28.853 1.00 54.13 H new ATOM 0 HA LYS A 21 10.403 -6.601 -30.713 1.00 51.52 H new ATOM 0 HB2 LYS A 21 9.107 -5.828 -28.729 1.00 43.11 H new ATOM 0 HB3 LYS A 21 9.011 -7.560 -28.978 1.00 43.11 H new ATOM 0 HG2 LYS A 21 9.424 -7.588 -26.733 1.00 63.04 H new ATOM 0 HG3 LYS A 21 11.089 -7.549 -27.279 1.00 63.04 H new ATOM 0 HD2 LYS A 21 11.425 -5.554 -26.289 1.00 64.22 H new ATOM 0 HD3 LYS A 21 10.095 -4.839 -27.180 1.00 64.22 H new ATOM 0 HE2 LYS A 21 9.661 -6.544 -24.702 1.00 54.30 H new ATOM 0 HE3 LYS A 21 9.924 -4.814 -24.614 1.00 54.30 H new ATOM 0 HZ1 LYS A 21 7.574 -5.342 -24.639 1.00 21.33 H new ATOM 0 HZ2 LYS A 21 7.988 -4.474 -26.039 1.00 21.33 H new ATOM 0 HZ3 LYS A 21 7.733 -6.151 -26.124 1.00 21.33 H new ATOM 358 N GLY A 22 12.778 -5.597 -28.751 1.00 63.05 N ATOM 359 CA GLY A 22 13.649 -4.476 -28.449 1.00 64.41 C ATOM 360 C GLY A 22 14.697 -4.820 -27.409 1.00 31.41 C ATOM 361 O GLY A 22 15.766 -4.212 -27.370 1.00 72.10 O ATOM 0 H GLY A 22 13.095 -6.496 -28.388 1.00 63.05 H new ATOM 0 HA2 GLY A 22 14.143 -4.147 -29.363 1.00 64.41 H new ATOM 0 HA3 GLY A 22 13.049 -3.639 -28.092 1.00 64.41 H new ATOM 365 N ALA A 23 14.389 -5.798 -26.562 1.00 43.34 N ATOM 366 CA ALA A 23 15.312 -6.222 -25.517 1.00 45.32 C ATOM 367 C ALA A 23 16.631 -6.704 -26.112 1.00 2.10 C ATOM 368 O ALA A 23 17.707 -6.343 -25.634 1.00 21.11 O ATOM 369 CB ALA A 23 14.682 -7.316 -24.669 1.00 24.33 C ATOM 0 H ALA A 23 13.507 -6.311 -26.580 1.00 43.34 H new ATOM 0 HA ALA A 23 15.523 -5.362 -24.882 1.00 45.32 H new ATOM 0 HB1 ALA A 23 15.382 -7.623 -23.892 1.00 24.33 H new ATOM 0 HB2 ALA A 23 13.770 -6.938 -24.206 1.00 24.33 H new ATOM 0 HB3 ALA A 23 14.441 -8.172 -25.300 1.00 24.33 H new ATOM 375 N ILE A 24 16.540 -7.521 -27.156 1.00 4.12 N ATOM 376 CA ILE A 24 17.727 -8.052 -27.815 1.00 50.33 C ATOM 377 C ILE A 24 18.383 -6.996 -28.699 1.00 61.42 C ATOM 378 O ILE A 24 19.597 -7.009 -28.903 1.00 42.32 O ATOM 379 CB ILE A 24 17.390 -9.286 -28.673 1.00 11.22 C ATOM 380 CG1 ILE A 24 18.669 -10.032 -29.057 1.00 3.11 C ATOM 381 CG2 ILE A 24 16.618 -8.872 -29.917 1.00 0.33 C ATOM 382 CD1 ILE A 24 18.742 -11.435 -28.496 1.00 42.11 C ATOM 0 H ILE A 24 15.657 -7.829 -27.563 1.00 4.12 H new ATOM 0 HA ILE A 24 18.421 -8.346 -27.027 1.00 50.33 H new ATOM 0 HB ILE A 24 16.762 -9.957 -28.087 1.00 11.22 H new ATOM 0 HG12 ILE A 24 18.740 -10.080 -30.144 1.00 3.11 H new ATOM 0 HG13 ILE A 24 19.531 -9.464 -28.706 1.00 3.11 H new ATOM 0 HG21 ILE A 24 16.387 -9.755 -30.513 1.00 0.33 H new ATOM 0 HG22 ILE A 24 15.691 -8.380 -29.623 1.00 0.33 H new ATOM 0 HG23 ILE A 24 17.222 -8.183 -30.508 1.00 0.33 H new ATOM 0 HD11 ILE A 24 19.675 -11.904 -28.809 1.00 42.11 H new ATOM 0 HD12 ILE A 24 18.703 -11.394 -27.407 1.00 42.11 H new ATOM 0 HD13 ILE A 24 17.900 -12.020 -28.867 1.00 42.11 H new ATOM 394 N LYS A 25 17.572 -6.082 -29.221 1.00 22.13 N ATOM 395 CA LYS A 25 18.073 -5.016 -30.081 1.00 34.24 C ATOM 396 C LYS A 25 18.883 -4.004 -29.277 1.00 63.31 C ATOM 397 O LYS A 25 19.981 -3.619 -29.676 1.00 44.45 O ATOM 398 CB LYS A 25 16.910 -4.312 -30.783 1.00 50.43 C ATOM 399 CG LYS A 25 16.333 -5.101 -31.945 1.00 61.34 C ATOM 400 CD LYS A 25 15.598 -4.199 -32.923 1.00 23.14 C ATOM 401 CE LYS A 25 14.093 -4.262 -32.715 1.00 72.13 C ATOM 402 NZ LYS A 25 13.418 -5.051 -33.783 1.00 64.21 N ATOM 0 H LYS A 25 16.565 -6.058 -29.063 1.00 22.13 H new ATOM 0 HA LYS A 25 18.726 -5.463 -30.831 1.00 34.24 H new ATOM 0 HB2 LYS A 25 16.120 -4.121 -30.057 1.00 50.43 H new ATOM 0 HB3 LYS A 25 17.250 -3.342 -31.146 1.00 50.43 H new ATOM 0 HG2 LYS A 25 17.136 -5.624 -32.464 1.00 61.34 H new ATOM 0 HG3 LYS A 25 15.650 -5.861 -31.566 1.00 61.34 H new ATOM 0 HD2 LYS A 25 15.941 -3.172 -32.800 1.00 23.14 H new ATOM 0 HD3 LYS A 25 15.838 -4.495 -33.944 1.00 23.14 H new ATOM 0 HE2 LYS A 25 13.879 -4.708 -31.744 1.00 72.13 H new ATOM 0 HE3 LYS A 25 13.686 -3.251 -32.698 1.00 72.13 H new ATOM 0 HZ1 LYS A 25 12.393 -5.070 -33.605 1.00 64.21 H new ATOM 0 HZ2 LYS A 25 13.601 -4.611 -34.708 1.00 64.21 H new ATOM 0 HZ3 LYS A 25 13.788 -6.023 -33.783 1.00 64.21 H new ATOM 416 N GLU A 26 18.335 -3.580 -28.143 1.00 13.10 N ATOM 417 CA GLU A 26 19.009 -2.613 -27.284 1.00 73.31 C ATOM 418 C GLU A 26 20.136 -3.277 -26.498 1.00 15.03 C ATOM 419 O GLU A 26 20.884 -2.612 -25.783 1.00 11.31 O ATOM 420 CB GLU A 26 18.009 -1.970 -26.320 1.00 63.22 C ATOM 421 CG GLU A 26 17.641 -2.858 -25.144 1.00 34.32 C ATOM 422 CD GLU A 26 18.292 -2.412 -23.849 1.00 64.33 C ATOM 423 OE1 GLU A 26 17.748 -1.497 -23.196 1.00 60.43 O ATOM 424 OE2 GLU A 26 19.346 -2.977 -23.489 1.00 60.44 O ATOM 0 H GLU A 26 17.427 -3.890 -27.798 1.00 13.10 H new ATOM 0 HA GLU A 26 19.440 -1.839 -27.919 1.00 73.31 H new ATOM 0 HB2 GLU A 26 18.429 -1.037 -25.943 1.00 63.22 H new ATOM 0 HB3 GLU A 26 17.103 -1.713 -26.868 1.00 63.22 H new ATOM 0 HG2 GLU A 26 16.558 -2.860 -25.020 1.00 34.32 H new ATOM 0 HG3 GLU A 26 17.939 -3.884 -25.361 1.00 34.32 H new ATOM 431 N GLY A 27 20.249 -4.595 -26.635 1.00 42.43 N ATOM 432 CA GLY A 27 21.286 -5.327 -25.932 1.00 31.20 C ATOM 433 C GLY A 27 22.541 -5.499 -26.765 1.00 32.34 C ATOM 434 O GLY A 27 23.653 -5.366 -26.257 1.00 64.11 O ATOM 0 H GLY A 27 19.641 -5.168 -27.220 1.00 42.43 H new ATOM 0 HA2 GLY A 27 21.535 -4.802 -25.010 1.00 31.20 H new ATOM 0 HA3 GLY A 27 20.905 -6.308 -25.648 1.00 31.20 H new ATOM 438 N ASN A 28 22.362 -5.798 -28.047 1.00 53.13 N ATOM 439 CA ASN A 28 23.489 -5.991 -28.952 1.00 3.02 C ATOM 440 C ASN A 28 24.011 -4.652 -29.464 1.00 4.12 C ATOM 441 O ASN A 28 25.212 -4.481 -29.675 1.00 2.51 O ATOM 442 CB ASN A 28 23.079 -6.875 -30.131 1.00 33.52 C ATOM 443 CG ASN A 28 22.378 -6.093 -31.224 1.00 52.43 C ATOM 444 OD1 ASN A 28 22.964 -5.801 -32.267 1.00 13.51 O ATOM 445 ND2 ASN A 28 21.117 -5.749 -30.990 1.00 53.21 N ATOM 0 H ASN A 28 21.447 -5.912 -28.483 1.00 53.13 H new ATOM 0 HA ASN A 28 24.287 -6.484 -28.397 1.00 3.02 H new ATOM 0 HB2 ASN A 28 23.964 -7.358 -30.544 1.00 33.52 H new ATOM 0 HB3 ASN A 28 22.420 -7.667 -29.776 1.00 33.52 H new ATOM 0 HD21 ASN A 28 20.594 -5.221 -31.689 1.00 53.21 H new ATOM 0 HD22 ASN A 28 20.671 -6.012 -30.111 1.00 53.21 H new ATOM 452 N LYS A 29 23.101 -3.705 -29.661 1.00 51.42 N ATOM 453 CA LYS A 29 23.468 -2.379 -30.146 1.00 74.55 C ATOM 454 C LYS A 29 24.081 -1.541 -29.029 1.00 74.32 C ATOM 455 O LYS A 29 24.640 -0.473 -29.277 1.00 61.03 O ATOM 456 CB LYS A 29 22.241 -1.666 -30.719 1.00 71.04 C ATOM 457 CG LYS A 29 21.331 -1.074 -29.657 1.00 54.25 C ATOM 458 CD LYS A 29 19.952 -0.762 -30.215 1.00 41.04 C ATOM 459 CE LYS A 29 19.994 0.413 -31.181 1.00 22.33 C ATOM 460 NZ LYS A 29 18.636 0.966 -31.441 1.00 3.05 N ATOM 0 H LYS A 29 22.103 -3.831 -29.492 1.00 51.42 H new ATOM 0 HA LYS A 29 24.211 -2.500 -30.934 1.00 74.55 H new ATOM 0 HB2 LYS A 29 22.572 -0.870 -31.386 1.00 71.04 H new ATOM 0 HB3 LYS A 29 21.670 -2.372 -31.323 1.00 71.04 H new ATOM 0 HG2 LYS A 29 21.238 -1.772 -28.825 1.00 54.25 H new ATOM 0 HG3 LYS A 29 21.778 -0.163 -29.260 1.00 54.25 H new ATOM 0 HD2 LYS A 29 19.558 -1.640 -30.726 1.00 41.04 H new ATOM 0 HD3 LYS A 29 19.269 -0.537 -29.396 1.00 41.04 H new ATOM 0 HE2 LYS A 29 20.633 1.196 -30.773 1.00 22.33 H new ATOM 0 HE3 LYS A 29 20.442 0.094 -32.122 1.00 22.33 H new ATOM 0 HZ1 LYS A 29 18.707 1.764 -32.104 1.00 3.05 H new ATOM 0 HZ2 LYS A 29 18.033 0.226 -31.854 1.00 3.05 H new ATOM 0 HZ3 LYS A 29 18.218 1.294 -30.547 1.00 3.05 H new ATOM 474 N ASP A 30 23.973 -2.033 -27.800 1.00 14.22 N ATOM 475 CA ASP A 30 24.519 -1.330 -26.645 1.00 32.14 C ATOM 476 C ASP A 30 25.972 -1.726 -26.405 1.00 44.11 C ATOM 477 O ASP A 30 26.563 -1.375 -25.383 1.00 54.11 O ATOM 478 CB ASP A 30 23.684 -1.628 -25.398 1.00 40.11 C ATOM 479 CG ASP A 30 22.655 -0.550 -25.119 1.00 43.10 C ATOM 480 OD1 ASP A 30 22.300 0.188 -26.061 1.00 53.41 O ATOM 481 OD2 ASP A 30 22.206 -0.444 -23.958 1.00 44.23 O ATOM 0 H ASP A 30 23.513 -2.916 -27.578 1.00 14.22 H new ATOM 0 HA ASP A 30 24.482 -0.260 -26.851 1.00 32.14 H new ATOM 0 HB2 ASP A 30 23.178 -2.585 -25.523 1.00 40.11 H new ATOM 0 HB3 ASP A 30 24.345 -1.727 -24.537 1.00 40.11 H new ATOM 486 N LYS A 31 26.544 -2.460 -27.353 1.00 43.05 N ATOM 487 CA LYS A 31 27.929 -2.904 -27.247 1.00 71.41 C ATOM 488 C LYS A 31 28.892 -1.740 -27.459 1.00 33.42 C ATOM 489 O LYS A 31 29.705 -1.430 -26.589 1.00 1.34 O ATOM 490 CB LYS A 31 28.212 -4.007 -28.270 1.00 3.11 C ATOM 491 CG LYS A 31 27.548 -5.331 -27.937 1.00 35.35 C ATOM 492 CD LYS A 31 28.026 -5.875 -26.601 1.00 1.23 C ATOM 493 CE LYS A 31 28.071 -7.395 -26.601 1.00 72.13 C ATOM 494 NZ LYS A 31 26.783 -7.988 -26.146 1.00 12.00 N ATOM 0 H LYS A 31 26.069 -2.760 -28.204 1.00 43.05 H new ATOM 0 HA LYS A 31 28.081 -3.300 -26.243 1.00 71.41 H new ATOM 0 HB2 LYS A 31 27.872 -3.676 -29.251 1.00 3.11 H new ATOM 0 HB3 LYS A 31 29.289 -4.158 -28.340 1.00 3.11 H new ATOM 0 HG2 LYS A 31 26.466 -5.200 -27.911 1.00 35.35 H new ATOM 0 HG3 LYS A 31 27.763 -6.055 -28.723 1.00 35.35 H new ATOM 0 HD2 LYS A 31 29.018 -5.481 -26.381 1.00 1.23 H new ATOM 0 HD3 LYS A 31 27.362 -5.530 -25.808 1.00 1.23 H new ATOM 0 HE2 LYS A 31 28.300 -7.752 -27.605 1.00 72.13 H new ATOM 0 HE3 LYS A 31 28.877 -7.734 -25.950 1.00 72.13 H new ATOM 0 HZ1 LYS A 31 26.854 -9.025 -26.160 1.00 12.00 H new ATOM 0 HZ2 LYS A 31 26.576 -7.668 -25.178 1.00 12.00 H new ATOM 0 HZ3 LYS A 31 26.018 -7.685 -26.782 1.00 12.00 H new ATOM 508 N TRP A 32 28.793 -1.100 -28.618 1.00 72.42 N ATOM 509 CA TRP A 32 29.655 0.031 -28.943 1.00 34.34 C ATOM 510 C TRP A 32 29.585 1.097 -27.855 1.00 44.22 C ATOM 511 O TRP A 32 30.546 1.835 -27.633 1.00 55.32 O ATOM 512 CB TRP A 32 29.255 0.633 -30.291 1.00 31.42 C ATOM 513 CG TRP A 32 27.975 1.411 -30.238 1.00 4.33 C ATOM 514 CD1 TRP A 32 26.739 0.984 -30.629 1.00 71.42 C ATOM 515 CD2 TRP A 32 27.808 2.753 -29.768 1.00 12.31 C ATOM 516 NE1 TRP A 32 25.813 1.979 -30.431 1.00 14.01 N ATOM 517 CE2 TRP A 32 26.443 3.074 -29.903 1.00 11.43 C ATOM 518 CE3 TRP A 32 28.677 3.714 -29.244 1.00 42.05 C ATOM 519 CZ2 TRP A 32 25.931 4.316 -29.534 1.00 74.50 C ATOM 520 CZ3 TRP A 32 28.167 4.945 -28.879 1.00 43.44 C ATOM 521 CH2 TRP A 32 26.804 5.237 -29.025 1.00 5.23 C ATOM 0 H TRP A 32 28.125 -1.345 -29.349 1.00 72.42 H new ATOM 0 HA TRP A 32 30.681 -0.331 -29.006 1.00 34.34 H new ATOM 0 HB2 TRP A 32 30.055 1.286 -30.641 1.00 31.42 H new ATOM 0 HB3 TRP A 32 29.155 -0.168 -31.023 1.00 31.42 H new ATOM 0 HD1 TRP A 32 26.521 0.007 -31.035 1.00 71.42 H new ATOM 0 HE1 TRP A 32 24.817 1.913 -30.643 1.00 14.01 H new ATOM 0 HE3 TRP A 32 29.729 3.498 -29.126 1.00 42.05 H new ATOM 0 HZ2 TRP A 32 24.881 4.543 -29.646 1.00 74.50 H new ATOM 0 HZ3 TRP A 32 28.830 5.695 -28.474 1.00 43.44 H new ATOM 0 HH2 TRP A 32 26.436 6.209 -28.730 1.00 5.23 H new ATOM 532 N LYS A 33 28.444 1.174 -27.179 1.00 61.42 N ATOM 533 CA LYS A 33 28.250 2.149 -26.113 1.00 55.11 C ATOM 534 C LYS A 33 29.304 1.982 -25.024 1.00 0.23 C ATOM 535 O LYS A 33 29.618 2.927 -24.301 1.00 35.34 O ATOM 536 CB LYS A 33 26.851 2.004 -25.510 1.00 55.00 C ATOM 537 CG LYS A 33 25.921 3.157 -25.845 1.00 51.45 C ATOM 538 CD LYS A 33 24.529 2.934 -25.279 1.00 54.24 C ATOM 539 CE LYS A 33 23.748 4.236 -25.190 1.00 52.53 C ATOM 540 NZ LYS A 33 22.640 4.152 -24.199 1.00 13.10 N ATOM 0 H LYS A 33 27.639 0.572 -27.351 1.00 61.42 H new ATOM 0 HA LYS A 33 28.352 3.145 -26.543 1.00 55.11 H new ATOM 0 HB2 LYS A 33 26.406 1.075 -25.865 1.00 55.00 H new ATOM 0 HB3 LYS A 33 26.938 1.922 -24.427 1.00 55.00 H new ATOM 0 HG2 LYS A 33 26.332 4.085 -25.447 1.00 51.45 H new ATOM 0 HG3 LYS A 33 25.860 3.274 -26.927 1.00 51.45 H new ATOM 0 HD2 LYS A 33 23.988 2.227 -25.908 1.00 54.24 H new ATOM 0 HD3 LYS A 33 24.605 2.486 -24.288 1.00 54.24 H new ATOM 0 HE2 LYS A 33 24.423 5.046 -24.912 1.00 52.53 H new ATOM 0 HE3 LYS A 33 23.340 4.483 -26.170 1.00 52.53 H new ATOM 0 HZ1 LYS A 33 22.132 5.059 -24.168 1.00 13.10 H new ATOM 0 HZ2 LYS A 33 21.982 3.396 -24.477 1.00 13.10 H new ATOM 0 HZ3 LYS A 33 23.031 3.942 -23.258 1.00 13.10 H new ATOM 554 N ASN A 34 29.849 0.775 -24.914 1.00 34.24 N ATOM 555 CA ASN A 34 30.869 0.485 -23.913 1.00 20.12 C ATOM 556 C ASN A 34 30.376 0.843 -22.514 1.00 43.20 C ATOM 557 O ASN A 34 31.172 1.141 -21.622 1.00 55.34 O ATOM 558 CB ASN A 34 32.153 1.255 -24.226 1.00 25.10 C ATOM 559 CG ASN A 34 33.324 0.797 -23.377 1.00 15.44 C ATOM 560 OD1 ASN A 34 33.685 1.448 -22.396 1.00 32.02 O ATOM 561 ND2 ASN A 34 33.922 -0.327 -23.751 1.00 20.42 N ATOM 0 H ASN A 34 29.601 -0.018 -25.506 1.00 34.24 H new ATOM 0 HA ASN A 34 31.078 -0.584 -23.942 1.00 20.12 H new ATOM 0 HB2 ASN A 34 32.401 1.129 -25.280 1.00 25.10 H new ATOM 0 HB3 ASN A 34 31.984 2.319 -24.063 1.00 25.10 H new ATOM 0 HD21 ASN A 34 34.715 -0.684 -23.218 1.00 20.42 H new ATOM 0 HD22 ASN A 34 33.589 -0.834 -24.571 1.00 20.42 H new ATOM 568 N ILE A 35 29.061 0.811 -22.330 1.00 12.11 N ATOM 569 CA ILE A 35 28.462 1.131 -21.040 1.00 25.43 C ATOM 570 C ILE A 35 28.802 2.555 -20.614 1.00 54.12 C ATOM 571 O ILE A 35 28.090 3.501 -20.952 1.00 1.43 O ATOM 572 CB ILE A 35 28.931 0.154 -19.945 1.00 1.33 C ATOM 573 CG1 ILE A 35 28.745 -1.292 -20.407 1.00 32.32 C ATOM 574 CG2 ILE A 35 28.171 0.405 -18.651 1.00 33.10 C ATOM 575 CD1 ILE A 35 27.299 -1.671 -20.638 1.00 72.32 C ATOM 0 H ILE A 35 28.390 0.567 -23.058 1.00 12.11 H new ATOM 0 HA ILE A 35 27.383 1.039 -21.161 1.00 25.43 H new ATOM 0 HB ILE A 35 29.992 0.322 -19.759 1.00 1.33 H new ATOM 0 HG12 ILE A 35 29.304 -1.445 -21.330 1.00 32.32 H new ATOM 0 HG13 ILE A 35 29.173 -1.961 -19.661 1.00 32.32 H new ATOM 0 HG21 ILE A 35 28.513 -0.293 -17.887 1.00 33.10 H new ATOM 0 HG22 ILE A 35 28.350 1.427 -18.316 1.00 33.10 H new ATOM 0 HG23 ILE A 35 27.104 0.261 -18.822 1.00 33.10 H new ATOM 0 HD11 ILE A 35 27.243 -2.710 -20.964 1.00 72.32 H new ATOM 0 HD12 ILE A 35 26.739 -1.551 -19.711 1.00 72.32 H new ATOM 0 HD13 ILE A 35 26.872 -1.026 -21.406 1.00 72.32 H new TER 587 ILE A 35