USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=4 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+ -143:sc= -0.0973 (180deg=-0.739) USER MOD Single : A 1 LYS NZ :NH3+ -130:sc= 0.0724 (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= -1.98 K(o=-2,f=-3.1) 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+ 160:sc= 0 (180deg=-0.348) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -2.468 -0.470 -3.180 1.00 73.23 N ATOM 2 CA LYS A 1 -1.083 -0.590 -3.618 1.00 62.45 C ATOM 3 C LYS A 1 -0.451 -1.870 -3.079 1.00 43.44 C ATOM 4 O LYS A 1 0.333 -1.835 -2.131 1.00 24.22 O ATOM 5 CB LYS A 1 -0.274 0.624 -3.158 1.00 44.21 C ATOM 6 CG LYS A 1 -0.886 1.953 -3.566 1.00 2.11 C ATOM 7 CD LYS A 1 -0.138 3.124 -2.951 1.00 22.14 C ATOM 8 CE LYS A 1 -0.728 3.517 -1.605 1.00 53.42 C ATOM 9 NZ LYS A 1 0.152 3.114 -0.474 1.00 10.12 N ATOM 0 H1 LYS A 1 -3.039 -0.054 -3.943 1.00 73.23 H new ATOM 0 H2 LYS A 1 -2.840 -1.412 -2.944 1.00 73.23 H new ATOM 0 H3 LYS A 1 -2.515 0.141 -2.340 1.00 73.23 H new ATOM 0 HA LYS A 1 -1.075 -0.632 -4.707 1.00 62.45 H new ATOM 0 HB2 LYS A 1 -0.178 0.596 -2.073 1.00 44.21 H new ATOM 0 HB3 LYS A 1 0.733 0.556 -3.569 1.00 44.21 H new ATOM 0 HG2 LYS A 1 -0.873 2.042 -4.652 1.00 2.11 H new ATOM 0 HG3 LYS A 1 -1.930 1.984 -3.256 1.00 2.11 H new ATOM 0 HD2 LYS A 1 0.912 2.861 -2.826 1.00 22.14 H new ATOM 0 HD3 LYS A 1 -0.175 3.977 -3.629 1.00 22.14 H new ATOM 0 HE2 LYS A 1 -0.883 4.596 -1.578 1.00 53.42 H new ATOM 0 HE3 LYS A 1 -1.706 3.051 -1.488 1.00 53.42 H new ATOM 0 HZ1 LYS A 1 -0.409 2.602 0.237 1.00 10.12 H new ATOM 0 HZ2 LYS A 1 0.910 2.496 -0.827 1.00 10.12 H new ATOM 0 HZ3 LYS A 1 0.570 3.962 -0.040 1.00 10.12 H new ATOM 23 N LYS A 2 -0.795 -2.998 -3.691 1.00 54.30 N ATOM 24 CA LYS A 2 -0.260 -4.289 -3.275 1.00 50.41 C ATOM 25 C LYS A 2 1.264 -4.293 -3.342 1.00 52.22 C ATOM 26 O LYS A 2 1.924 -5.039 -2.620 1.00 20.43 O ATOM 27 CB LYS A 2 -0.823 -5.405 -4.157 1.00 30.51 C ATOM 28 CG LYS A 2 -0.643 -5.155 -5.644 1.00 74.12 C ATOM 29 CD LYS A 2 -1.964 -5.251 -6.389 1.00 52.43 C ATOM 30 CE LYS A 2 -1.804 -5.976 -7.717 1.00 12.33 C ATOM 31 NZ LYS A 2 -2.355 -5.184 -8.851 1.00 42.42 N ATOM 0 H LYS A 2 -1.443 -3.044 -4.478 1.00 54.30 H new ATOM 0 HA LYS A 2 -0.561 -4.464 -2.242 1.00 50.41 H new ATOM 0 HB2 LYS A 2 -0.337 -6.345 -3.894 1.00 30.51 H new ATOM 0 HB3 LYS A 2 -1.885 -5.525 -3.943 1.00 30.51 H new ATOM 0 HG2 LYS A 2 -0.208 -4.167 -5.798 1.00 74.12 H new ATOM 0 HG3 LYS A 2 0.060 -5.880 -6.053 1.00 74.12 H new ATOM 0 HD2 LYS A 2 -2.693 -5.776 -5.772 1.00 52.43 H new ATOM 0 HD3 LYS A 2 -2.357 -4.250 -6.565 1.00 52.43 H new ATOM 0 HE2 LYS A 2 -0.748 -6.179 -7.895 1.00 12.33 H new ATOM 0 HE3 LYS A 2 -2.310 -6.940 -7.668 1.00 12.33 H new ATOM 0 HZ1 LYS A 2 -2.227 -5.712 -9.738 1.00 42.42 H new ATOM 0 HZ2 LYS A 2 -3.369 -5.012 -8.694 1.00 42.42 H new ATOM 0 HZ3 LYS A 2 -1.855 -4.274 -8.914 1.00 42.42 H new ATOM 45 N TRP A 3 1.815 -3.454 -4.212 1.00 62.41 N ATOM 46 CA TRP A 3 3.262 -3.361 -4.372 1.00 30.04 C ATOM 47 C TRP A 3 3.857 -4.714 -4.747 1.00 54.23 C ATOM 48 O TRP A 3 4.811 -5.177 -4.125 1.00 64.10 O ATOM 49 CB TRP A 3 3.906 -2.847 -3.083 1.00 33.22 C ATOM 50 CG TRP A 3 3.744 -1.370 -2.886 1.00 62.20 C ATOM 51 CD1 TRP A 3 3.677 -0.416 -3.861 1.00 31.02 C ATOM 52 CD2 TRP A 3 3.632 -0.679 -1.637 1.00 72.31 C ATOM 53 NE1 TRP A 3 3.529 0.827 -3.293 1.00 24.51 N ATOM 54 CE2 TRP A 3 3.498 0.692 -1.930 1.00 41.01 C ATOM 55 CE3 TRP A 3 3.629 -1.086 -0.300 1.00 51.40 C ATOM 56 CZ2 TRP A 3 3.365 1.656 -0.935 1.00 14.15 C ATOM 57 CZ3 TRP A 3 3.497 -0.127 0.687 1.00 74.50 C ATOM 58 CH2 TRP A 3 3.365 1.230 0.366 1.00 41.11 C ATOM 0 H TRP A 3 1.282 -2.829 -4.817 1.00 62.41 H new ATOM 0 HA TRP A 3 3.469 -2.658 -5.179 1.00 30.04 H new ATOM 0 HB2 TRP A 3 3.468 -3.370 -2.233 1.00 33.22 H new ATOM 0 HB3 TRP A 3 4.968 -3.090 -3.094 1.00 33.22 H new ATOM 0 HD1 TRP A 3 3.732 -0.610 -4.922 1.00 31.02 H new ATOM 0 HE1 TRP A 3 3.454 1.707 -3.803 1.00 24.51 H new ATOM 0 HE3 TRP A 3 3.728 -2.130 -0.043 1.00 51.40 H new ATOM 0 HZ2 TRP A 3 3.265 2.703 -1.181 1.00 14.15 H new ATOM 0 HZ3 TRP A 3 3.496 -0.429 1.724 1.00 74.50 H new ATOM 0 HH2 TRP A 3 3.261 1.954 1.160 1.00 41.11 H new ATOM 69 N GLY A 4 3.286 -5.343 -5.770 1.00 34.31 N ATOM 70 CA GLY A 4 3.773 -6.637 -6.210 1.00 64.23 C ATOM 71 C GLY A 4 4.809 -6.522 -7.311 1.00 61.31 C ATOM 72 O GLY A 4 5.080 -7.491 -8.021 1.00 10.11 O ATOM 0 H GLY A 4 2.495 -4.979 -6.302 1.00 34.31 H new ATOM 0 HA2 GLY A 4 4.206 -7.167 -5.361 1.00 64.23 H new ATOM 0 HA3 GLY A 4 2.934 -7.236 -6.565 1.00 64.23 H new ATOM 76 N TRP A 5 5.388 -5.336 -7.455 1.00 12.31 N ATOM 77 CA TRP A 5 6.399 -5.098 -8.479 1.00 54.41 C ATOM 78 C TRP A 5 7.759 -5.623 -8.034 1.00 11.21 C ATOM 79 O TRP A 5 8.351 -6.479 -8.693 1.00 10.22 O ATOM 80 CB TRP A 5 6.493 -3.604 -8.794 1.00 51.21 C ATOM 81 CG TRP A 5 5.173 -2.986 -9.143 1.00 12.34 C ATOM 82 CD1 TRP A 5 4.061 -3.632 -9.604 1.00 5.14 C ATOM 83 CD2 TRP A 5 4.827 -1.599 -9.060 1.00 5.31 C ATOM 84 NE1 TRP A 5 3.046 -2.730 -9.813 1.00 20.05 N ATOM 85 CE2 TRP A 5 3.490 -1.476 -9.486 1.00 23.24 C ATOM 86 CE3 TRP A 5 5.517 -0.449 -8.666 1.00 13.21 C ATOM 87 CZ2 TRP A 5 2.832 -0.250 -9.529 1.00 5.15 C ATOM 88 CZ3 TRP A 5 4.863 0.768 -8.709 1.00 74.33 C ATOM 89 CH2 TRP A 5 3.531 0.860 -9.137 1.00 64.42 C ATOM 0 H TRP A 5 5.175 -4.524 -6.876 1.00 12.31 H new ATOM 0 HA TRP A 5 6.101 -5.634 -9.380 1.00 54.41 H new ATOM 0 HB2 TRP A 5 6.913 -3.084 -7.933 1.00 51.21 H new ATOM 0 HB3 TRP A 5 7.185 -3.458 -9.623 1.00 51.21 H new ATOM 0 HD1 TRP A 5 3.990 -4.695 -9.778 1.00 5.14 H new ATOM 0 HE1 TRP A 5 2.113 -2.957 -10.156 1.00 20.05 H new ATOM 0 HE3 TRP A 5 6.543 -0.510 -8.334 1.00 13.21 H new ATOM 0 HZ2 TRP A 5 1.807 -0.177 -9.860 1.00 5.15 H new ATOM 0 HZ3 TRP A 5 5.387 1.663 -8.408 1.00 74.33 H new ATOM 0 HH2 TRP A 5 3.047 1.825 -9.158 1.00 64.42 H new ATOM 100 N LEU A 6 8.250 -5.106 -6.913 1.00 12.00 N ATOM 101 CA LEU A 6 9.542 -5.524 -6.379 1.00 53.24 C ATOM 102 C LEU A 6 9.473 -6.950 -5.842 1.00 5.41 C ATOM 103 O LEU A 6 10.478 -7.659 -5.807 1.00 63.25 O ATOM 104 CB LEU A 6 9.991 -4.570 -5.271 1.00 55.31 C ATOM 105 CG LEU A 6 9.794 -3.079 -5.548 1.00 53.14 C ATOM 106 CD1 LEU A 6 8.774 -2.487 -4.588 1.00 20.44 C ATOM 107 CD2 LEU A 6 11.119 -2.338 -5.445 1.00 52.24 C ATOM 0 H LEU A 6 7.773 -4.397 -6.356 1.00 12.00 H new ATOM 0 HA LEU A 6 10.269 -5.496 -7.190 1.00 53.24 H new ATOM 0 HB2 LEU A 6 9.450 -4.824 -4.359 1.00 55.31 H new ATOM 0 HB3 LEU A 6 11.049 -4.746 -5.074 1.00 55.31 H new ATOM 0 HG LEU A 6 9.415 -2.965 -6.563 1.00 53.14 H new ATOM 0 HD11 LEU A 6 8.647 -1.425 -4.801 1.00 20.44 H new ATOM 0 HD12 LEU A 6 7.819 -2.998 -4.711 1.00 20.44 H new ATOM 0 HD13 LEU A 6 9.123 -2.612 -3.563 1.00 20.44 H new ATOM 0 HD21 LEU A 6 10.960 -1.278 -5.645 1.00 52.24 H new ATOM 0 HD22 LEU A 6 11.527 -2.460 -4.442 1.00 52.24 H new ATOM 0 HD23 LEU A 6 11.820 -2.744 -6.174 1.00 52.24 H new ATOM 119 N ALA A 7 8.281 -7.363 -5.425 1.00 61.03 N ATOM 120 CA ALA A 7 8.081 -8.705 -4.894 1.00 32.43 C ATOM 121 C ALA A 7 8.256 -9.759 -5.982 1.00 50.34 C ATOM 122 O ALA A 7 8.659 -10.889 -5.707 1.00 4.45 O ATOM 123 CB ALA A 7 6.702 -8.822 -4.261 1.00 22.13 C ATOM 0 H ALA A 7 7.439 -6.787 -5.445 1.00 61.03 H new ATOM 0 HA ALA A 7 8.837 -8.882 -4.129 1.00 32.43 H new ATOM 0 HB1 ALA A 7 6.566 -9.830 -3.868 1.00 22.13 H new ATOM 0 HB2 ALA A 7 6.612 -8.101 -3.449 1.00 22.13 H new ATOM 0 HB3 ALA A 7 5.939 -8.619 -5.012 1.00 22.13 H new ATOM 129 N TRP A 8 7.950 -9.382 -7.218 1.00 52.43 N ATOM 130 CA TRP A 8 8.073 -10.295 -8.349 1.00 20.14 C ATOM 131 C TRP A 8 9.462 -10.206 -8.971 1.00 71.35 C ATOM 132 O TRP A 8 9.970 -11.184 -9.521 1.00 41.30 O ATOM 133 CB TRP A 8 7.008 -9.984 -9.401 1.00 53.41 C ATOM 134 CG TRP A 8 5.660 -10.548 -9.067 1.00 11.41 C ATOM 135 CD1 TRP A 8 4.993 -10.430 -7.881 1.00 4.13 C ATOM 136 CD2 TRP A 8 4.816 -11.319 -9.929 1.00 1.03 C ATOM 137 NE1 TRP A 8 3.786 -11.082 -7.953 1.00 51.23 N ATOM 138 CE2 TRP A 8 3.653 -11.635 -9.199 1.00 50.44 C ATOM 139 CE3 TRP A 8 4.929 -11.772 -11.246 1.00 13.01 C ATOM 140 CZ2 TRP A 8 2.613 -12.383 -9.745 1.00 1.14 C ATOM 141 CZ3 TRP A 8 3.896 -12.515 -11.785 1.00 51.24 C ATOM 142 CH2 TRP A 8 2.750 -12.814 -11.036 1.00 40.42 C ATOM 0 H TRP A 8 7.615 -8.450 -7.463 1.00 52.43 H new ATOM 0 HA TRP A 8 7.924 -11.311 -7.982 1.00 20.14 H new ATOM 0 HB2 TRP A 8 6.924 -8.903 -9.514 1.00 53.41 H new ATOM 0 HB3 TRP A 8 7.332 -10.381 -10.363 1.00 53.41 H new ATOM 0 HD1 TRP A 8 5.361 -9.902 -7.014 1.00 4.13 H new ATOM 0 HE1 TRP A 8 3.100 -11.144 -7.201 1.00 51.23 H new ATOM 0 HE3 TRP A 8 5.808 -11.546 -11.832 1.00 13.01 H new ATOM 0 HZ2 TRP A 8 1.729 -12.615 -9.169 1.00 1.14 H new ATOM 0 HZ3 TRP A 8 3.973 -12.872 -12.802 1.00 51.24 H new ATOM 0 HH2 TRP A 8 1.960 -13.396 -11.487 1.00 40.42 H new ATOM 153 N VAL A 9 10.072 -9.029 -8.882 1.00 53.51 N ATOM 154 CA VAL A 9 11.403 -8.813 -9.436 1.00 21.00 C ATOM 155 C VAL A 9 12.478 -9.404 -8.530 1.00 15.42 C ATOM 156 O VAL A 9 13.543 -9.808 -8.995 1.00 60.23 O ATOM 157 CB VAL A 9 11.689 -7.314 -9.643 1.00 51.20 C ATOM 158 CG1 VAL A 9 13.091 -7.109 -10.195 1.00 4.41 C ATOM 159 CG2 VAL A 9 10.649 -6.696 -10.565 1.00 54.11 C ATOM 0 H VAL A 9 9.665 -8.210 -8.431 1.00 53.51 H new ATOM 0 HA VAL A 9 11.429 -9.317 -10.402 1.00 21.00 H new ATOM 0 HB VAL A 9 11.628 -6.814 -8.677 1.00 51.20 H new ATOM 0 HG11 VAL A 9 13.275 -6.044 -10.335 1.00 4.41 H new ATOM 0 HG12 VAL A 9 13.821 -7.514 -9.494 1.00 4.41 H new ATOM 0 HG13 VAL A 9 13.184 -7.622 -11.152 1.00 4.41 H new ATOM 0 HG21 VAL A 9 10.866 -5.636 -10.700 1.00 54.11 H new ATOM 0 HG22 VAL A 9 10.676 -7.198 -11.532 1.00 54.11 H new ATOM 0 HG23 VAL A 9 9.659 -6.810 -10.124 1.00 54.11 H new ATOM 169 N ASP A 10 12.190 -9.450 -7.234 1.00 21.52 N ATOM 170 CA ASP A 10 13.131 -9.993 -6.261 1.00 62.50 C ATOM 171 C ASP A 10 13.594 -11.388 -6.672 1.00 54.10 C ATOM 172 O ASP A 10 14.780 -11.636 -6.890 1.00 75.23 O ATOM 173 CB ASP A 10 12.491 -10.043 -4.873 1.00 31.41 C ATOM 174 CG ASP A 10 13.009 -8.952 -3.957 1.00 20.33 C ATOM 175 OD1 ASP A 10 12.691 -7.770 -4.203 1.00 11.22 O ATOM 176 OD2 ASP A 10 13.732 -9.281 -2.993 1.00 52.01 O ATOM 0 H ASP A 10 11.313 -9.118 -6.833 1.00 21.52 H new ATOM 0 HA ASP A 10 14.000 -9.336 -6.228 1.00 62.50 H new ATOM 0 HB2 ASP A 10 11.410 -9.948 -4.971 1.00 31.41 H new ATOM 0 HB3 ASP A 10 12.686 -11.016 -4.421 1.00 31.41 H new ATOM 181 N PRO A 11 12.636 -12.321 -6.780 1.00 23.35 N ATOM 182 CA PRO A 11 12.921 -13.707 -7.164 1.00 44.22 C ATOM 183 C PRO A 11 13.341 -13.828 -8.625 1.00 74.23 C ATOM 184 O PRO A 11 13.966 -14.811 -9.022 1.00 35.42 O ATOM 185 CB PRO A 11 11.588 -14.422 -6.929 1.00 44.42 C ATOM 186 CG PRO A 11 10.558 -13.352 -7.052 1.00 63.41 C ATOM 187 CD PRO A 11 11.202 -12.096 -6.534 1.00 50.13 C ATOM 0 HA PRO A 11 13.750 -14.126 -6.594 1.00 44.22 H new ATOM 0 HB2 PRO A 11 11.428 -15.212 -7.663 1.00 44.42 H new ATOM 0 HB3 PRO A 11 11.558 -14.890 -5.945 1.00 44.42 H new ATOM 0 HG2 PRO A 11 10.243 -13.230 -8.089 1.00 63.41 H new ATOM 0 HG3 PRO A 11 9.667 -13.600 -6.475 1.00 63.41 H new ATOM 0 HD2 PRO A 11 10.838 -11.212 -7.058 1.00 50.13 H new ATOM 0 HD3 PRO A 11 10.995 -11.946 -5.474 1.00 50.13 H new ATOM 195 N ALA A 12 12.993 -12.822 -9.421 1.00 72.54 N ATOM 196 CA ALA A 12 13.336 -12.816 -10.838 1.00 75.01 C ATOM 197 C ALA A 12 14.823 -12.549 -11.042 1.00 11.31 C ATOM 198 O ALA A 12 15.507 -13.293 -11.746 1.00 15.43 O ATOM 199 CB ALA A 12 12.505 -11.778 -11.577 1.00 54.34 C ATOM 0 H ALA A 12 12.474 -12.001 -9.109 1.00 72.54 H new ATOM 0 HA ALA A 12 13.112 -13.802 -11.245 1.00 75.01 H new ATOM 0 HB1 ALA A 12 12.771 -11.784 -12.634 1.00 54.34 H new ATOM 0 HB2 ALA A 12 11.447 -12.015 -11.468 1.00 54.34 H new ATOM 0 HB3 ALA A 12 12.701 -10.790 -11.159 1.00 54.34 H new ATOM 205 N TYR A 13 15.318 -11.483 -10.423 1.00 12.21 N ATOM 206 CA TYR A 13 16.724 -11.116 -10.539 1.00 41.32 C ATOM 207 C TYR A 13 17.623 -12.226 -10.005 1.00 21.53 C ATOM 208 O TYR A 13 18.567 -12.650 -10.671 1.00 51.11 O ATOM 209 CB TYR A 13 16.998 -9.815 -9.783 1.00 15.33 C ATOM 210 CG TYR A 13 17.911 -8.864 -10.523 1.00 25.51 C ATOM 211 CD1 TYR A 13 19.290 -8.924 -10.357 1.00 54.11 C ATOM 212 CD2 TYR A 13 17.397 -7.908 -11.389 1.00 14.40 C ATOM 213 CE1 TYR A 13 20.128 -8.057 -11.031 1.00 21.22 C ATOM 214 CE2 TYR A 13 18.228 -7.038 -12.068 1.00 54.30 C ATOM 215 CZ TYR A 13 19.593 -7.116 -11.885 1.00 75.12 C ATOM 216 OH TYR A 13 20.425 -6.252 -12.559 1.00 54.23 O ATOM 0 H TYR A 13 14.766 -10.858 -9.836 1.00 12.21 H new ATOM 0 HA TYR A 13 16.948 -10.968 -11.596 1.00 41.32 H new ATOM 0 HB2 TYR A 13 16.051 -9.314 -9.584 1.00 15.33 H new ATOM 0 HB3 TYR A 13 17.442 -10.053 -8.816 1.00 15.33 H new ATOM 0 HD1 TYR A 13 19.713 -9.661 -9.690 1.00 54.11 H new ATOM 0 HD2 TYR A 13 16.329 -7.843 -11.534 1.00 14.40 H new ATOM 0 HE1 TYR A 13 21.197 -8.116 -10.890 1.00 21.22 H new ATOM 0 HE2 TYR A 13 17.811 -6.301 -12.738 1.00 54.30 H new ATOM 0 HH TYR A 13 19.889 -5.653 -13.120 1.00 54.23 H new ATOM 226 N GLU A 14 17.321 -12.694 -8.797 1.00 43.42 N ATOM 227 CA GLU A 14 18.102 -13.755 -8.173 1.00 31.15 C ATOM 228 C GLU A 14 18.119 -15.005 -9.048 1.00 31.13 C ATOM 229 O GLU A 14 19.062 -15.795 -9.003 1.00 44.24 O ATOM 230 CB GLU A 14 17.533 -14.093 -6.793 1.00 13.20 C ATOM 231 CG GLU A 14 16.232 -14.877 -6.846 1.00 63.04 C ATOM 232 CD GLU A 14 15.692 -15.205 -5.468 1.00 70.31 C ATOM 233 OE1 GLU A 14 15.936 -14.417 -4.531 1.00 53.43 O ATOM 234 OE2 GLU A 14 15.025 -16.252 -5.327 1.00 12.31 O ATOM 0 H GLU A 14 16.542 -12.355 -8.232 1.00 43.42 H new ATOM 0 HA GLU A 14 19.126 -13.398 -8.059 1.00 31.15 H new ATOM 0 HB2 GLU A 14 18.272 -14.669 -6.236 1.00 13.20 H new ATOM 0 HB3 GLU A 14 17.368 -13.168 -6.241 1.00 13.20 H new ATOM 0 HG2 GLU A 14 15.488 -14.302 -7.396 1.00 63.04 H new ATOM 0 HG3 GLU A 14 16.392 -15.802 -7.399 1.00 63.04 H new ATOM 241 N PHE A 15 17.068 -15.178 -9.842 1.00 71.04 N ATOM 242 CA PHE A 15 16.960 -16.332 -10.727 1.00 62.22 C ATOM 243 C PHE A 15 17.963 -16.234 -11.874 1.00 35.15 C ATOM 244 O PHE A 15 18.622 -17.214 -12.221 1.00 72.31 O ATOM 245 CB PHE A 15 15.540 -16.443 -11.285 1.00 33.21 C ATOM 246 CG PHE A 15 15.301 -17.700 -12.072 1.00 22.23 C ATOM 247 CD1 PHE A 15 14.995 -18.888 -11.428 1.00 71.41 C ATOM 248 CD2 PHE A 15 15.383 -17.693 -13.455 1.00 33.52 C ATOM 249 CE1 PHE A 15 14.776 -20.047 -12.150 1.00 13.52 C ATOM 250 CE2 PHE A 15 15.164 -18.849 -14.182 1.00 1.51 C ATOM 251 CZ PHE A 15 14.859 -20.026 -13.528 1.00 62.44 C ATOM 0 H PHE A 15 16.279 -14.534 -9.891 1.00 71.04 H new ATOM 0 HA PHE A 15 17.185 -17.226 -10.146 1.00 62.22 H new ATOM 0 HB2 PHE A 15 14.830 -16.400 -10.459 1.00 33.21 H new ATOM 0 HB3 PHE A 15 15.340 -15.582 -11.922 1.00 33.21 H new ATOM 0 HD1 PHE A 15 14.927 -18.909 -10.350 1.00 71.41 H new ATOM 0 HD2 PHE A 15 15.621 -16.775 -13.971 1.00 33.52 H new ATOM 0 HE1 PHE A 15 14.540 -20.967 -11.637 1.00 13.52 H new ATOM 0 HE2 PHE A 15 15.231 -18.831 -15.260 1.00 1.51 H new ATOM 0 HZ PHE A 15 14.686 -20.929 -14.094 1.00 62.44 H new ATOM 261 N ILE A 16 18.071 -15.045 -12.457 1.00 33.13 N ATOM 262 CA ILE A 16 18.992 -14.818 -13.563 1.00 62.41 C ATOM 263 C ILE A 16 20.440 -14.986 -13.116 1.00 23.44 C ATOM 264 O ILE A 16 21.317 -15.308 -13.918 1.00 53.23 O ATOM 265 CB ILE A 16 18.813 -13.413 -14.166 1.00 52.32 C ATOM 266 CG1 ILE A 16 17.356 -13.194 -14.582 1.00 25.25 C ATOM 267 CG2 ILE A 16 19.743 -13.224 -15.356 1.00 35.15 C ATOM 268 CD1 ILE A 16 16.870 -14.181 -15.619 1.00 74.15 C ATOM 0 H ILE A 16 17.532 -14.224 -12.182 1.00 33.13 H new ATOM 0 HA ILE A 16 18.760 -15.563 -14.324 1.00 62.41 H new ATOM 0 HB ILE A 16 19.070 -12.673 -13.408 1.00 52.32 H new ATOM 0 HG12 ILE A 16 16.720 -13.264 -13.699 1.00 25.25 H new ATOM 0 HG13 ILE A 16 17.247 -12.183 -14.975 1.00 25.25 H new ATOM 0 HG21 ILE A 16 19.604 -12.226 -15.771 1.00 35.15 H new ATOM 0 HG22 ILE A 16 20.777 -13.342 -15.032 1.00 35.15 H new ATOM 0 HG23 ILE A 16 19.515 -13.969 -16.118 1.00 35.15 H new ATOM 0 HD11 ILE A 16 15.830 -13.966 -15.866 1.00 74.15 H new ATOM 0 HD12 ILE A 16 17.482 -14.096 -16.517 1.00 74.15 H new ATOM 0 HD13 ILE A 16 16.947 -15.193 -15.222 1.00 74.15 H new ATOM 280 N LYS A 17 20.685 -14.768 -11.828 1.00 32.51 N ATOM 281 CA LYS A 17 22.026 -14.898 -11.271 1.00 30.33 C ATOM 282 C LYS A 17 22.535 -16.330 -11.405 1.00 73.11 C ATOM 283 O LYS A 17 23.737 -16.563 -11.523 1.00 72.40 O ATOM 284 CB LYS A 17 22.032 -14.480 -9.799 1.00 14.13 C ATOM 285 CG LYS A 17 21.975 -12.976 -9.594 1.00 11.04 C ATOM 286 CD LYS A 17 23.360 -12.389 -9.381 1.00 64.43 C ATOM 287 CE LYS A 17 23.528 -11.072 -10.124 1.00 31.54 C ATOM 288 NZ LYS A 17 23.998 -9.984 -9.223 1.00 2.12 N ATOM 0 H LYS A 17 19.971 -14.500 -11.150 1.00 32.51 H new ATOM 0 HA LYS A 17 22.690 -14.241 -11.832 1.00 30.33 H new ATOM 0 HB2 LYS A 17 21.181 -14.939 -9.296 1.00 14.13 H new ATOM 0 HB3 LYS A 17 22.932 -14.869 -9.323 1.00 14.13 H new ATOM 0 HG2 LYS A 17 21.510 -12.507 -10.461 1.00 11.04 H new ATOM 0 HG3 LYS A 17 21.346 -12.749 -8.733 1.00 11.04 H new ATOM 0 HD2 LYS A 17 23.529 -12.231 -8.316 1.00 64.43 H new ATOM 0 HD3 LYS A 17 24.114 -13.099 -9.722 1.00 64.43 H new ATOM 0 HE2 LYS A 17 24.241 -11.203 -10.938 1.00 31.54 H new ATOM 0 HE3 LYS A 17 22.578 -10.785 -10.575 1.00 31.54 H new ATOM 0 HZ1 LYS A 17 24.100 -9.103 -9.766 1.00 2.12 H new ATOM 0 HZ2 LYS A 17 23.306 -9.842 -8.460 1.00 2.12 H new ATOM 0 HZ3 LYS A 17 24.917 -10.246 -8.812 1.00 2.12 H new ATOM 302 N GLY A 18 21.611 -17.286 -11.388 1.00 14.01 N ATOM 303 CA GLY A 18 21.986 -18.683 -11.510 1.00 54.41 C ATOM 304 C GLY A 18 22.032 -19.146 -12.952 1.00 72.45 C ATOM 305 O GLY A 18 22.896 -19.937 -13.331 1.00 24.24 O ATOM 0 H GLY A 18 20.610 -17.118 -11.292 1.00 14.01 H new ATOM 0 HA2 GLY A 18 22.963 -18.835 -11.051 1.00 54.41 H new ATOM 0 HA3 GLY A 18 21.275 -19.297 -10.957 1.00 54.41 H new ATOM 309 N PHE A 19 21.098 -18.655 -13.761 1.00 22.15 N ATOM 310 CA PHE A 19 21.034 -19.026 -15.169 1.00 61.14 C ATOM 311 C PHE A 19 22.240 -18.484 -15.930 1.00 43.51 C ATOM 312 O PHE A 19 22.691 -19.079 -16.907 1.00 61.45 O ATOM 313 CB PHE A 19 19.742 -18.501 -15.799 1.00 32.35 C ATOM 314 CG PHE A 19 18.845 -19.587 -16.320 1.00 33.42 C ATOM 315 CD1 PHE A 19 18.330 -20.549 -15.465 1.00 11.41 C ATOM 316 CD2 PHE A 19 18.516 -19.647 -17.664 1.00 51.24 C ATOM 317 CE1 PHE A 19 17.505 -21.549 -15.942 1.00 71.52 C ATOM 318 CE2 PHE A 19 17.691 -20.645 -18.147 1.00 71.24 C ATOM 319 CZ PHE A 19 17.184 -21.597 -17.285 1.00 30.12 C ATOM 0 H PHE A 19 20.375 -17.999 -13.465 1.00 22.15 H new ATOM 0 HA PHE A 19 21.045 -20.114 -15.232 1.00 61.14 H new ATOM 0 HB2 PHE A 19 19.198 -17.915 -15.058 1.00 32.35 H new ATOM 0 HB3 PHE A 19 19.994 -17.826 -16.617 1.00 32.35 H new ATOM 0 HD1 PHE A 19 18.577 -20.516 -14.414 1.00 11.41 H new ATOM 0 HD2 PHE A 19 18.909 -18.905 -18.343 1.00 51.24 H new ATOM 0 HE1 PHE A 19 17.111 -22.293 -15.265 1.00 71.52 H new ATOM 0 HE2 PHE A 19 17.443 -20.680 -19.198 1.00 71.24 H new ATOM 0 HZ PHE A 19 16.538 -22.377 -17.660 1.00 30.12 H new ATOM 329 N GLY A 20 22.758 -17.347 -15.474 1.00 22.02 N ATOM 330 CA GLY A 20 23.907 -16.742 -16.123 1.00 14.14 C ATOM 331 C GLY A 20 24.931 -16.230 -15.129 1.00 70.33 C ATOM 332 O GLY A 20 25.383 -15.089 -15.224 1.00 21.01 O ATOM 0 H GLY A 20 22.403 -16.834 -14.667 1.00 22.02 H new ATOM 0 HA2 GLY A 20 24.377 -17.474 -16.780 1.00 14.14 H new ATOM 0 HA3 GLY A 20 23.572 -15.918 -16.753 1.00 14.14 H new ATOM 336 N LYS A 21 25.298 -17.075 -14.172 1.00 32.51 N ATOM 337 CA LYS A 21 26.275 -16.704 -13.156 1.00 10.34 C ATOM 338 C LYS A 21 27.628 -16.394 -13.789 1.00 15.41 C ATOM 339 O LYS A 21 28.477 -15.747 -13.177 1.00 54.10 O ATOM 340 CB LYS A 21 26.427 -17.828 -12.129 1.00 35.41 C ATOM 341 CG LYS A 21 27.109 -19.068 -12.681 1.00 33.11 C ATOM 342 CD LYS A 21 26.192 -20.279 -12.629 1.00 1.10 C ATOM 343 CE LYS A 21 26.472 -21.138 -11.405 1.00 53.51 C ATOM 344 NZ LYS A 21 26.189 -22.577 -11.661 1.00 52.00 N ATOM 0 H LYS A 21 24.933 -18.023 -14.079 1.00 32.51 H new ATOM 0 HA LYS A 21 25.914 -15.807 -12.653 1.00 10.34 H new ATOM 0 HB2 LYS A 21 26.999 -17.457 -11.279 1.00 35.41 H new ATOM 0 HB3 LYS A 21 25.441 -18.102 -11.754 1.00 35.41 H new ATOM 0 HG2 LYS A 21 27.416 -18.887 -13.711 1.00 33.11 H new ATOM 0 HG3 LYS A 21 28.014 -19.271 -12.109 1.00 33.11 H new ATOM 0 HD2 LYS A 21 25.153 -19.950 -12.614 1.00 1.10 H new ATOM 0 HD3 LYS A 21 26.324 -20.876 -13.532 1.00 1.10 H new ATOM 0 HE2 LYS A 21 27.514 -21.020 -11.109 1.00 53.51 H new ATOM 0 HE3 LYS A 21 25.863 -20.791 -10.571 1.00 53.51 H new ATOM 0 HZ1 LYS A 21 26.392 -23.129 -10.803 1.00 52.00 H new ATOM 0 HZ2 LYS A 21 25.188 -22.693 -11.919 1.00 52.00 H new ATOM 0 HZ3 LYS A 21 26.789 -22.915 -12.440 1.00 52.00 H new ATOM 358 N GLY A 22 27.820 -16.858 -15.020 1.00 23.33 N ATOM 359 CA GLY A 22 29.071 -16.619 -15.716 1.00 2.15 C ATOM 360 C GLY A 22 28.862 -16.189 -17.154 1.00 75.40 C ATOM 361 O GLY A 22 29.769 -16.294 -17.978 1.00 41.35 O ATOM 0 H GLY A 22 27.132 -17.395 -15.548 1.00 23.33 H new ATOM 0 HA2 GLY A 22 29.635 -15.850 -15.189 1.00 2.15 H new ATOM 0 HA3 GLY A 22 29.674 -17.527 -15.696 1.00 2.15 H new ATOM 365 N ALA A 23 27.661 -15.706 -17.457 1.00 31.43 N ATOM 366 CA ALA A 23 27.335 -15.260 -18.805 1.00 41.53 C ATOM 367 C ALA A 23 27.979 -13.911 -19.107 1.00 50.42 C ATOM 368 O ALA A 23 27.300 -12.884 -19.151 1.00 20.30 O ATOM 369 CB ALA A 23 25.826 -15.178 -18.984 1.00 63.22 C ATOM 0 H ALA A 23 26.898 -15.614 -16.786 1.00 31.43 H new ATOM 0 HA ALA A 23 27.734 -15.990 -19.509 1.00 41.53 H new ATOM 0 HB1 ALA A 23 25.597 -14.843 -19.996 1.00 63.22 H new ATOM 0 HB2 ALA A 23 25.386 -16.161 -18.819 1.00 63.22 H new ATOM 0 HB3 ALA A 23 25.412 -14.470 -18.266 1.00 63.22 H new ATOM 375 N ILE A 24 29.291 -13.920 -19.314 1.00 5.11 N ATOM 376 CA ILE A 24 30.026 -12.697 -19.612 1.00 10.40 C ATOM 377 C ILE A 24 29.838 -12.283 -21.068 1.00 21.52 C ATOM 378 O ILE A 24 29.974 -11.110 -21.414 1.00 42.05 O ATOM 379 CB ILE A 24 31.531 -12.860 -19.326 1.00 54.35 C ATOM 380 CG1 ILE A 24 31.753 -13.278 -17.872 1.00 24.33 C ATOM 381 CG2 ILE A 24 32.271 -11.566 -19.630 1.00 54.43 C ATOM 382 CD1 ILE A 24 31.224 -12.278 -16.867 1.00 65.45 C ATOM 0 H ILE A 24 29.867 -14.761 -19.281 1.00 5.11 H new ATOM 0 HA ILE A 24 29.623 -11.921 -18.961 1.00 10.40 H new ATOM 0 HB ILE A 24 31.927 -13.642 -19.974 1.00 54.35 H new ATOM 0 HG12 ILE A 24 31.271 -14.241 -17.702 1.00 24.33 H new ATOM 0 HG13 ILE A 24 32.820 -13.421 -17.703 1.00 24.33 H new ATOM 0 HG21 ILE A 24 33.333 -11.697 -19.423 1.00 54.43 H new ATOM 0 HG22 ILE A 24 32.135 -11.307 -20.680 1.00 54.43 H new ATOM 0 HG23 ILE A 24 31.876 -10.765 -19.005 1.00 54.43 H new ATOM 0 HD11 ILE A 24 31.416 -12.640 -15.857 1.00 65.45 H new ATOM 0 HD12 ILE A 24 31.723 -11.320 -17.010 1.00 65.45 H new ATOM 0 HD13 ILE A 24 30.151 -12.152 -17.009 1.00 65.45 H new ATOM 394 N LYS A 25 29.523 -13.256 -21.917 1.00 14.42 N ATOM 395 CA LYS A 25 29.312 -12.994 -23.336 1.00 21.32 C ATOM 396 C LYS A 25 28.024 -12.208 -23.559 1.00 70.51 C ATOM 397 O LYS A 25 27.951 -11.360 -24.447 1.00 74.14 O ATOM 398 CB LYS A 25 29.261 -14.310 -24.116 1.00 20.14 C ATOM 399 CG LYS A 25 28.161 -15.250 -23.652 1.00 4.31 C ATOM 400 CD LYS A 25 26.987 -15.253 -24.616 1.00 42.14 C ATOM 401 CE LYS A 25 27.306 -16.038 -25.880 1.00 12.43 C ATOM 402 NZ LYS A 25 26.655 -15.444 -27.080 1.00 41.14 N ATOM 0 H LYS A 25 29.408 -14.233 -21.647 1.00 14.42 H new ATOM 0 HA LYS A 25 30.148 -12.396 -23.698 1.00 21.32 H new ATOM 0 HB2 LYS A 25 29.117 -14.090 -25.174 1.00 20.14 H new ATOM 0 HB3 LYS A 25 30.222 -14.815 -24.023 1.00 20.14 H new ATOM 0 HG2 LYS A 25 28.560 -16.260 -23.559 1.00 4.31 H new ATOM 0 HG3 LYS A 25 27.819 -14.950 -22.661 1.00 4.31 H new ATOM 0 HD2 LYS A 25 26.115 -15.687 -24.127 1.00 42.14 H new ATOM 0 HD3 LYS A 25 26.728 -14.227 -24.879 1.00 42.14 H new ATOM 0 HE2 LYS A 25 28.386 -16.065 -26.028 1.00 12.43 H new ATOM 0 HE3 LYS A 25 26.975 -17.070 -25.760 1.00 12.43 H new ATOM 0 HZ1 LYS A 25 26.896 -16.007 -27.920 1.00 41.14 H new ATOM 0 HZ2 LYS A 25 25.623 -15.441 -26.950 1.00 41.14 H new ATOM 0 HZ3 LYS A 25 26.990 -14.468 -27.209 1.00 41.14 H new ATOM 416 N GLU A 26 27.012 -12.496 -22.746 1.00 60.03 N ATOM 417 CA GLU A 26 25.728 -11.815 -22.856 1.00 55.32 C ATOM 418 C GLU A 26 25.890 -10.311 -22.651 1.00 72.35 C ATOM 419 O GLU A 26 25.199 -9.510 -23.279 1.00 71.13 O ATOM 420 CB GLU A 26 24.738 -12.376 -21.833 1.00 22.02 C ATOM 421 CG GLU A 26 24.479 -13.865 -21.990 1.00 0.10 C ATOM 422 CD GLU A 26 23.528 -14.174 -23.129 1.00 75.44 C ATOM 423 OE1 GLU A 26 23.928 -14.006 -24.300 1.00 23.50 O ATOM 424 OE2 GLU A 26 22.382 -14.585 -22.850 1.00 33.04 O ATOM 0 H GLU A 26 27.057 -13.196 -22.005 1.00 60.03 H new ATOM 0 HA GLU A 26 25.339 -11.988 -23.860 1.00 55.32 H new ATOM 0 HB2 GLU A 26 25.119 -12.186 -20.829 1.00 22.02 H new ATOM 0 HB3 GLU A 26 23.793 -11.840 -21.922 1.00 22.02 H new ATOM 0 HG2 GLU A 26 25.425 -14.378 -22.162 1.00 0.10 H new ATOM 0 HG3 GLU A 26 24.067 -14.258 -21.061 1.00 0.10 H new ATOM 431 N GLY A 27 26.809 -9.936 -21.767 1.00 31.12 N ATOM 432 CA GLY A 27 27.045 -8.531 -21.494 1.00 5.53 C ATOM 433 C GLY A 27 27.525 -8.288 -20.076 1.00 50.04 C ATOM 434 O GLY A 27 28.593 -7.716 -19.865 1.00 2.30 O ATOM 0 H GLY A 27 27.394 -10.580 -21.235 1.00 31.12 H new ATOM 0 HA2 GLY A 27 27.786 -8.147 -22.196 1.00 5.53 H new ATOM 0 HA3 GLY A 27 26.125 -7.972 -21.664 1.00 5.53 H new ATOM 438 N ASN A 28 26.732 -8.723 -19.102 1.00 61.14 N ATOM 439 CA ASN A 28 27.081 -8.548 -17.697 1.00 52.12 C ATOM 440 C ASN A 28 27.457 -7.098 -17.407 1.00 32.13 C ATOM 441 O ASN A 28 28.626 -6.720 -17.487 1.00 53.21 O ATOM 442 CB ASN A 28 28.240 -9.473 -17.319 1.00 15.43 C ATOM 443 CG ASN A 28 27.974 -10.237 -16.036 1.00 10.20 C ATOM 444 OD1 ASN A 28 28.119 -11.458 -15.987 1.00 21.33 O ATOM 445 ND2 ASN A 28 27.582 -9.519 -14.990 1.00 3.41 N ATOM 0 H ASN A 28 25.844 -9.199 -19.260 1.00 61.14 H new ATOM 0 HA ASN A 28 26.209 -8.806 -17.096 1.00 52.12 H new ATOM 0 HB2 ASN A 28 28.417 -10.180 -18.130 1.00 15.43 H new ATOM 0 HB3 ASN A 28 29.150 -8.884 -17.206 1.00 15.43 H new ATOM 0 HD21 ASN A 28 27.388 -9.978 -14.100 1.00 3.41 H new ATOM 0 HD22 ASN A 28 27.475 -8.508 -15.076 1.00 3.41 H new ATOM 452 N LYS A 29 26.458 -6.290 -17.068 1.00 31.11 N ATOM 453 CA LYS A 29 26.682 -4.882 -16.763 1.00 52.01 C ATOM 454 C LYS A 29 27.238 -4.712 -15.353 1.00 22.40 C ATOM 455 O LYS A 29 27.528 -3.597 -14.920 1.00 24.10 O ATOM 456 CB LYS A 29 25.378 -4.094 -16.906 1.00 74.23 C ATOM 457 CG LYS A 29 24.244 -4.633 -16.051 1.00 24.24 C ATOM 458 CD LYS A 29 23.001 -4.908 -16.880 1.00 64.12 C ATOM 459 CE LYS A 29 21.865 -5.443 -16.022 1.00 25.23 C ATOM 460 NZ LYS A 29 20.833 -6.139 -16.839 1.00 21.12 N ATOM 0 H LYS A 29 25.485 -6.587 -16.998 1.00 31.11 H new ATOM 0 HA LYS A 29 27.413 -4.495 -17.472 1.00 52.01 H new ATOM 0 HB2 LYS A 29 25.561 -3.053 -16.638 1.00 74.23 H new ATOM 0 HB3 LYS A 29 25.070 -4.104 -17.952 1.00 74.23 H new ATOM 0 HG2 LYS A 29 24.564 -5.551 -15.558 1.00 24.24 H new ATOM 0 HG3 LYS A 29 24.007 -3.915 -15.266 1.00 24.24 H new ATOM 0 HD2 LYS A 29 22.683 -3.991 -17.376 1.00 64.12 H new ATOM 0 HD3 LYS A 29 23.237 -5.628 -17.663 1.00 64.12 H new ATOM 0 HE2 LYS A 29 22.265 -6.132 -15.278 1.00 25.23 H new ATOM 0 HE3 LYS A 29 21.403 -4.620 -15.477 1.00 25.23 H new ATOM 0 HZ1 LYS A 29 20.076 -6.489 -16.217 1.00 21.12 H new ATOM 0 HZ2 LYS A 29 20.433 -5.475 -17.532 1.00 21.12 H new ATOM 0 HZ3 LYS A 29 21.268 -6.940 -17.339 1.00 21.12 H new ATOM 474 N ASP A 30 27.386 -5.825 -14.642 1.00 73.14 N ATOM 475 CA ASP A 30 27.910 -5.800 -13.282 1.00 0.41 C ATOM 476 C ASP A 30 28.678 -7.080 -12.972 1.00 24.45 C ATOM 477 O ASP A 30 28.402 -7.759 -11.982 1.00 75.35 O ATOM 478 CB ASP A 30 26.772 -5.617 -12.277 1.00 55.10 C ATOM 479 CG ASP A 30 25.509 -6.346 -12.693 1.00 62.05 C ATOM 480 OD1 ASP A 30 25.447 -7.579 -12.507 1.00 30.54 O ATOM 481 OD2 ASP A 30 24.583 -5.683 -13.205 1.00 62.25 O ATOM 0 H ASP A 30 27.150 -6.756 -14.986 1.00 73.14 H new ATOM 0 HA ASP A 30 28.596 -4.957 -13.199 1.00 0.41 H new ATOM 0 HB2 ASP A 30 27.092 -5.979 -11.300 1.00 55.10 H new ATOM 0 HB3 ASP A 30 26.555 -4.554 -12.167 1.00 55.10 H new ATOM 486 N LYS A 31 29.644 -7.406 -13.824 1.00 4.13 N ATOM 487 CA LYS A 31 30.454 -8.605 -13.642 1.00 12.02 C ATOM 488 C LYS A 31 31.557 -8.366 -12.615 1.00 74.43 C ATOM 489 O LYS A 31 31.961 -9.283 -11.900 1.00 74.43 O ATOM 490 CB LYS A 31 31.068 -9.038 -14.975 1.00 3.40 C ATOM 491 CG LYS A 31 31.837 -7.932 -15.678 1.00 12.13 C ATOM 492 CD LYS A 31 33.326 -8.229 -15.721 1.00 4.31 C ATOM 493 CE LYS A 31 34.150 -6.950 -15.700 1.00 62.23 C ATOM 494 NZ LYS A 31 34.775 -6.671 -17.023 1.00 72.41 N ATOM 0 H LYS A 31 29.885 -6.856 -14.648 1.00 4.13 H new ATOM 0 HA LYS A 31 29.805 -9.399 -13.273 1.00 12.02 H new ATOM 0 HB2 LYS A 31 31.737 -9.880 -14.801 1.00 3.40 H new ATOM 0 HB3 LYS A 31 30.275 -9.392 -15.633 1.00 3.40 H new ATOM 0 HG2 LYS A 31 31.459 -7.814 -16.694 1.00 12.13 H new ATOM 0 HG3 LYS A 31 31.668 -6.986 -15.163 1.00 12.13 H new ATOM 0 HD2 LYS A 31 33.598 -8.853 -14.870 1.00 4.31 H new ATOM 0 HD3 LYS A 31 33.559 -8.798 -16.621 1.00 4.31 H new ATOM 0 HE2 LYS A 31 33.513 -6.112 -15.415 1.00 62.23 H new ATOM 0 HE3 LYS A 31 34.928 -7.032 -14.941 1.00 62.23 H new ATOM 0 HZ1 LYS A 31 35.328 -5.792 -16.967 1.00 72.41 H new ATOM 0 HZ2 LYS A 31 35.402 -7.458 -17.283 1.00 72.41 H new ATOM 0 HZ3 LYS A 31 34.032 -6.568 -17.743 1.00 72.41 H new ATOM 508 N TRP A 32 32.038 -7.130 -12.548 1.00 33.55 N ATOM 509 CA TRP A 32 33.093 -6.772 -11.607 1.00 1.13 C ATOM 510 C TRP A 32 32.686 -7.111 -10.177 1.00 50.40 C ATOM 511 O TRP A 32 33.536 -7.338 -9.316 1.00 21.01 O ATOM 512 CB TRP A 32 33.419 -5.282 -11.718 1.00 10.41 C ATOM 513 CG TRP A 32 32.208 -4.401 -11.641 1.00 23.51 C ATOM 514 CD1 TRP A 32 31.430 -3.986 -12.683 1.00 53.30 C ATOM 515 CD2 TRP A 32 31.640 -3.828 -10.459 1.00 14.12 C ATOM 516 NE1 TRP A 32 30.411 -3.188 -12.220 1.00 21.11 N ATOM 517 CE2 TRP A 32 30.517 -3.077 -10.859 1.00 2.52 C ATOM 518 CE3 TRP A 32 31.968 -3.878 -9.101 1.00 52.54 C ATOM 519 CZ2 TRP A 32 29.725 -2.381 -9.949 1.00 71.04 C ATOM 520 CZ3 TRP A 32 31.181 -3.186 -8.200 1.00 74.41 C ATOM 521 CH2 TRP A 32 30.069 -2.447 -8.627 1.00 4.03 C ATOM 0 H TRP A 32 31.715 -6.360 -13.133 1.00 33.55 H new ATOM 0 HA TRP A 32 33.982 -7.351 -11.858 1.00 1.13 H new ATOM 0 HB2 TRP A 32 34.110 -5.008 -10.921 1.00 10.41 H new ATOM 0 HB3 TRP A 32 33.933 -5.099 -12.662 1.00 10.41 H new ATOM 0 HD1 TRP A 32 31.591 -4.246 -13.719 1.00 53.30 H new ATOM 0 HE1 TRP A 32 29.693 -2.750 -12.796 1.00 21.11 H new ATOM 0 HE3 TRP A 32 32.821 -4.447 -8.762 1.00 52.54 H new ATOM 0 HZ2 TRP A 32 28.869 -1.809 -10.276 1.00 71.04 H new ATOM 0 HZ3 TRP A 32 31.427 -3.215 -7.149 1.00 74.41 H new ATOM 0 HH2 TRP A 32 29.472 -1.919 -7.898 1.00 4.03 H new ATOM 532 N LYS A 33 31.381 -7.143 -9.930 1.00 11.01 N ATOM 533 CA LYS A 33 30.860 -7.456 -8.604 1.00 41.44 C ATOM 534 C LYS A 33 31.154 -8.905 -8.232 1.00 71.44 C ATOM 535 O LYS A 33 31.145 -9.268 -7.057 1.00 21.20 O ATOM 536 CB LYS A 33 29.352 -7.200 -8.553 1.00 61.30 C ATOM 537 CG LYS A 33 28.933 -5.899 -9.215 1.00 75.55 C ATOM 538 CD LYS A 33 27.641 -5.362 -8.622 1.00 21.45 C ATOM 539 CE LYS A 33 26.492 -6.342 -8.808 1.00 43.41 C ATOM 540 NZ LYS A 33 25.256 -5.662 -9.284 1.00 51.24 N ATOM 0 H LYS A 33 30.664 -6.956 -10.631 1.00 11.01 H new ATOM 0 HA LYS A 33 31.357 -6.807 -7.883 1.00 41.44 H new ATOM 0 HB2 LYS A 33 28.835 -8.028 -9.038 1.00 61.30 H new ATOM 0 HB3 LYS A 33 29.029 -7.189 -7.512 1.00 61.30 H new ATOM 0 HG2 LYS A 33 29.724 -5.158 -9.097 1.00 75.55 H new ATOM 0 HG3 LYS A 33 28.804 -6.059 -10.285 1.00 75.55 H new ATOM 0 HD2 LYS A 33 27.782 -5.163 -7.560 1.00 21.45 H new ATOM 0 HD3 LYS A 33 27.390 -4.412 -9.094 1.00 21.45 H new ATOM 0 HE2 LYS A 33 26.782 -7.111 -9.524 1.00 43.41 H new ATOM 0 HE3 LYS A 33 26.288 -6.847 -7.864 1.00 43.41 H new ATOM 0 HZ1 LYS A 33 24.619 -6.362 -9.716 1.00 51.24 H new ATOM 0 HZ2 LYS A 33 24.777 -5.209 -8.480 1.00 51.24 H new ATOM 0 HZ3 LYS A 33 25.507 -4.940 -9.989 1.00 51.24 H new ATOM 554 N ASN A 34 31.415 -9.729 -9.242 1.00 62.40 N ATOM 555 CA ASN A 34 31.713 -11.140 -9.020 1.00 52.32 C ATOM 556 C ASN A 34 33.196 -11.343 -8.727 1.00 21.13 C ATOM 557 O ASN A 34 33.663 -12.475 -8.593 1.00 1.44 O ATOM 558 CB ASN A 34 31.305 -11.967 -10.241 1.00 50.32 C ATOM 559 CG ASN A 34 30.013 -12.729 -10.018 1.00 24.42 C ATOM 560 OD1 ASN A 34 29.967 -13.950 -10.167 1.00 72.53 O ATOM 561 ND2 ASN A 34 28.957 -12.010 -9.658 1.00 34.31 N ATOM 0 H ASN A 34 31.426 -9.444 -10.221 1.00 62.40 H new ATOM 0 HA ASN A 34 31.141 -11.475 -8.155 1.00 52.32 H new ATOM 0 HB2 ASN A 34 31.191 -11.308 -11.101 1.00 50.32 H new ATOM 0 HB3 ASN A 34 32.102 -12.671 -10.482 1.00 50.32 H new ATOM 0 HD21 ASN A 34 28.061 -12.468 -9.493 1.00 34.31 H new ATOM 0 HD22 ASN A 34 29.042 -11.000 -9.546 1.00 34.31 H new ATOM 568 N ILE A 35 33.931 -10.240 -8.628 1.00 34.33 N ATOM 569 CA ILE A 35 35.360 -10.298 -8.348 1.00 40.44 C ATOM 570 C ILE A 35 35.633 -10.172 -6.853 1.00 64.15 C ATOM 571 O ILE A 35 36.117 -11.110 -6.219 1.00 44.41 O ATOM 572 CB ILE A 35 36.124 -9.187 -9.094 1.00 22.44 C ATOM 573 CG1 ILE A 35 35.711 -9.154 -10.566 1.00 50.14 C ATOM 574 CG2 ILE A 35 37.625 -9.399 -8.964 1.00 2.44 C ATOM 575 CD1 ILE A 35 36.415 -8.081 -11.367 1.00 54.32 C ATOM 0 H ILE A 35 33.560 -9.296 -8.738 1.00 34.33 H new ATOM 0 HA ILE A 35 35.712 -11.268 -8.698 1.00 40.44 H new ATOM 0 HB ILE A 35 35.871 -8.227 -8.644 1.00 22.44 H new ATOM 0 HG12 ILE A 35 35.918 -10.126 -11.015 1.00 50.14 H new ATOM 0 HG13 ILE A 35 34.634 -8.996 -10.630 1.00 50.14 H new ATOM 0 HG21 ILE A 35 38.152 -8.607 -9.496 1.00 2.44 H new ATOM 0 HG22 ILE A 35 37.906 -9.378 -7.911 1.00 2.44 H new ATOM 0 HG23 ILE A 35 37.894 -10.365 -9.392 1.00 2.44 H new ATOM 0 HD11 ILE A 35 36.073 -8.116 -12.401 1.00 54.32 H new ATOM 0 HD12 ILE A 35 36.188 -7.103 -10.943 1.00 54.32 H new ATOM 0 HD13 ILE A 35 37.491 -8.250 -11.334 1.00 54.32 H new TER 587 ILE A 35