USER MOD reduce.3.24.130724 H: found=0, std=0, add=295, rem=0, adj=2 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+ -162:sc= 0 (180deg=-0.435) 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= -1.06 K(o=-1.1,f=-1.9) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.389 -1.235 -0.432 1.00 63.13 N ATOM 2 CA LYS A 1 -2.584 -1.809 -1.505 1.00 12.24 C ATOM 3 C LYS A 1 -1.823 -3.037 -1.016 1.00 42.01 C ATOM 4 O LYS A 1 -0.969 -2.941 -0.134 1.00 35.13 O ATOM 5 CB LYS A 1 -1.601 -0.768 -2.045 1.00 72.04 C ATOM 6 CG LYS A 1 -2.271 0.364 -2.805 1.00 62.25 C ATOM 7 CD LYS A 1 -2.541 1.557 -1.905 1.00 3.42 C ATOM 8 CE LYS A 1 -2.637 2.848 -2.704 1.00 1.13 C ATOM 9 NZ LYS A 1 -3.709 3.742 -2.186 1.00 12.31 N ATOM 0 H1 LYS A 1 -4.115 -0.611 -0.838 1.00 63.13 H new ATOM 0 H2 LYS A 1 -3.849 -1.999 0.104 1.00 63.13 H new ATOM 0 H3 LYS A 1 -2.777 -0.685 0.205 1.00 63.13 H new ATOM 0 HA LYS A 1 -3.256 -2.115 -2.307 1.00 12.24 H new ATOM 0 HB2 LYS A 1 -1.034 -0.350 -1.213 1.00 72.04 H new ATOM 0 HB3 LYS A 1 -0.886 -1.262 -2.702 1.00 72.04 H new ATOM 0 HG2 LYS A 1 -1.636 0.671 -3.636 1.00 62.25 H new ATOM 0 HG3 LYS A 1 -3.209 0.011 -3.233 1.00 62.25 H new ATOM 0 HD2 LYS A 1 -3.469 1.398 -1.357 1.00 3.42 H new ATOM 0 HD3 LYS A 1 -1.745 1.644 -1.166 1.00 3.42 H new ATOM 0 HE2 LYS A 1 -1.680 3.369 -2.668 1.00 1.13 H new ATOM 0 HE3 LYS A 1 -2.833 2.614 -3.750 1.00 1.13 H new ATOM 0 HZ1 LYS A 1 -3.742 4.611 -2.757 1.00 12.31 H new ATOM 0 HZ2 LYS A 1 -4.626 3.254 -2.244 1.00 12.31 H new ATOM 0 HZ3 LYS A 1 -3.509 3.986 -1.195 1.00 12.31 H new ATOM 23 N LYS A 2 -2.136 -4.191 -1.596 1.00 3.20 N ATOM 24 CA LYS A 2 -1.480 -5.438 -1.222 1.00 64.14 C ATOM 25 C LYS A 2 0.025 -5.355 -1.462 1.00 15.44 C ATOM 26 O LYS A 2 0.806 -6.042 -0.804 1.00 11.21 O ATOM 27 CB LYS A 2 -2.069 -6.606 -2.016 1.00 60.14 C ATOM 28 CG LYS A 2 -1.731 -6.567 -3.497 1.00 22.33 C ATOM 29 CD LYS A 2 -2.734 -7.358 -4.319 1.00 34.31 C ATOM 30 CE LYS A 2 -2.109 -8.615 -4.903 1.00 63.44 C ATOM 31 NZ LYS A 2 -2.377 -9.812 -4.059 1.00 64.40 N ATOM 0 H LYS A 2 -2.840 -4.288 -2.327 1.00 3.20 H new ATOM 0 HA LYS A 2 -1.652 -5.605 -0.159 1.00 64.14 H new ATOM 0 HB2 LYS A 2 -1.704 -7.542 -1.593 1.00 60.14 H new ATOM 0 HB3 LYS A 2 -3.153 -6.604 -1.899 1.00 60.14 H new ATOM 0 HG2 LYS A 2 -1.714 -5.533 -3.840 1.00 22.33 H new ATOM 0 HG3 LYS A 2 -0.731 -6.972 -3.654 1.00 22.33 H new ATOM 0 HD2 LYS A 2 -3.584 -7.630 -3.694 1.00 34.31 H new ATOM 0 HD3 LYS A 2 -3.118 -6.733 -5.125 1.00 34.31 H new ATOM 0 HE2 LYS A 2 -2.501 -8.783 -5.906 1.00 63.44 H new ATOM 0 HE3 LYS A 2 -1.033 -8.473 -5.001 1.00 63.44 H new ATOM 0 HZ1 LYS A 2 -1.934 -10.648 -4.491 1.00 64.40 H new ATOM 0 HZ2 LYS A 2 -1.981 -9.663 -3.109 1.00 64.40 H new ATOM 0 HZ3 LYS A 2 -3.403 -9.963 -3.986 1.00 64.40 H new ATOM 45 N TRP A 3 0.423 -4.509 -2.405 1.00 14.33 N ATOM 46 CA TRP A 3 1.834 -4.335 -2.729 1.00 0.21 C ATOM 47 C TRP A 3 2.466 -5.661 -3.138 1.00 52.43 C ATOM 48 O TRP A 3 3.515 -6.044 -2.624 1.00 4.04 O ATOM 49 CB TRP A 3 2.584 -3.746 -1.533 1.00 43.33 C ATOM 50 CG TRP A 3 2.264 -2.303 -1.283 1.00 71.11 C ATOM 51 CD1 TRP A 3 1.987 -1.350 -2.222 1.00 35.55 C ATOM 52 CD2 TRP A 3 2.190 -1.650 -0.011 1.00 51.22 C ATOM 53 NE1 TRP A 3 1.745 -0.144 -1.610 1.00 34.24 N ATOM 54 CE2 TRP A 3 1.862 -0.301 -0.254 1.00 23.50 C ATOM 55 CE3 TRP A 3 2.366 -2.073 1.309 1.00 44.21 C ATOM 56 CZ2 TRP A 3 1.710 0.624 0.775 1.00 34.00 C ATOM 57 CZ3 TRP A 3 2.215 -1.153 2.329 1.00 72.11 C ATOM 58 CH2 TRP A 3 1.888 0.182 2.058 1.00 43.42 C ATOM 0 H TRP A 3 -0.211 -3.933 -2.959 1.00 14.33 H new ATOM 0 HA TRP A 3 1.906 -3.645 -3.570 1.00 0.21 H new ATOM 0 HB2 TRP A 3 2.342 -4.324 -0.641 1.00 43.33 H new ATOM 0 HB3 TRP A 3 3.656 -3.849 -1.699 1.00 43.33 H new ATOM 0 HD1 TRP A 3 1.962 -1.520 -3.288 1.00 35.55 H new ATOM 0 HE1 TRP A 3 1.515 0.727 -2.088 1.00 34.24 H new ATOM 0 HE3 TRP A 3 2.616 -3.101 1.528 1.00 44.21 H new ATOM 0 HZ2 TRP A 3 1.460 1.654 0.568 1.00 34.00 H new ATOM 0 HZ3 TRP A 3 2.351 -1.469 3.353 1.00 72.11 H new ATOM 0 HH2 TRP A 3 1.774 0.876 2.878 1.00 43.42 H new ATOM 69 N GLY A 4 1.819 -6.358 -4.068 1.00 45.52 N ATOM 70 CA GLY A 4 2.334 -7.633 -4.530 1.00 70.34 C ATOM 71 C GLY A 4 3.217 -7.493 -5.754 1.00 63.13 C ATOM 72 O GLY A 4 3.461 -8.467 -6.467 1.00 0.03 O ATOM 0 H GLY A 4 0.948 -6.062 -4.509 1.00 45.52 H new ATOM 0 HA2 GLY A 4 2.902 -8.104 -3.728 1.00 70.34 H new ATOM 0 HA3 GLY A 4 1.500 -8.296 -4.761 1.00 70.34 H new ATOM 76 N TRP A 5 3.696 -6.279 -6.000 1.00 23.11 N ATOM 77 CA TRP A 5 4.556 -6.015 -7.148 1.00 3.11 C ATOM 78 C TRP A 5 5.992 -6.443 -6.863 1.00 13.44 C ATOM 79 O TRP A 5 6.552 -7.282 -7.569 1.00 33.54 O ATOM 80 CB TRP A 5 4.516 -4.529 -7.510 1.00 62.31 C ATOM 81 CG TRP A 5 3.127 -4.003 -7.706 1.00 74.23 C ATOM 82 CD1 TRP A 5 2.010 -4.729 -8.009 1.00 23.51 C ATOM 83 CD2 TRP A 5 2.707 -2.637 -7.615 1.00 74.44 C ATOM 84 NE1 TRP A 5 0.922 -3.897 -8.112 1.00 34.44 N ATOM 85 CE2 TRP A 5 1.322 -2.609 -7.874 1.00 21.32 C ATOM 86 CE3 TRP A 5 3.365 -1.436 -7.339 1.00 34.00 C ATOM 87 CZ2 TRP A 5 0.587 -1.427 -7.865 1.00 4.45 C ATOM 88 CZ3 TRP A 5 2.634 -0.263 -7.330 1.00 61.15 C ATOM 89 CH2 TRP A 5 1.257 -0.265 -7.591 1.00 63.10 C ATOM 0 H TRP A 5 3.504 -5.462 -5.420 1.00 23.11 H new ATOM 0 HA TRP A 5 4.184 -6.597 -7.991 1.00 3.11 H new ATOM 0 HB2 TRP A 5 5.006 -3.957 -6.722 1.00 62.31 H new ATOM 0 HB3 TRP A 5 5.090 -4.369 -8.423 1.00 62.31 H new ATOM 0 HD1 TRP A 5 1.986 -5.800 -8.147 1.00 23.51 H new ATOM 0 HE1 TRP A 5 -0.030 -4.191 -8.330 1.00 34.44 H new ATOM 0 HE3 TRP A 5 4.426 -1.424 -7.136 1.00 34.00 H new ATOM 0 HZ2 TRP A 5 -0.474 -1.427 -8.067 1.00 4.45 H new ATOM 0 HZ3 TRP A 5 3.133 0.671 -7.118 1.00 61.15 H new ATOM 0 HH2 TRP A 5 0.714 0.668 -7.576 1.00 63.10 H new ATOM 100 N LEU A 6 6.582 -5.861 -5.825 1.00 5.03 N ATOM 101 CA LEU A 6 7.954 -6.183 -5.446 1.00 0.21 C ATOM 102 C LEU A 6 8.057 -7.619 -4.941 1.00 40.44 C ATOM 103 O LEU A 6 9.115 -8.241 -5.023 1.00 24.11 O ATOM 104 CB LEU A 6 8.447 -5.215 -4.369 1.00 31.04 C ATOM 105 CG LEU A 6 7.658 -5.210 -3.059 1.00 33.21 C ATOM 106 CD1 LEU A 6 8.488 -5.808 -1.933 1.00 74.15 C ATOM 107 CD2 LEU A 6 7.218 -3.797 -2.707 1.00 13.34 C ATOM 0 H LEU A 6 6.133 -5.164 -5.231 1.00 5.03 H new ATOM 0 HA LEU A 6 8.582 -6.083 -6.331 1.00 0.21 H new ATOM 0 HB2 LEU A 6 9.486 -5.453 -4.143 1.00 31.04 H new ATOM 0 HB3 LEU A 6 8.434 -4.206 -4.782 1.00 31.04 H new ATOM 0 HG LEU A 6 6.767 -5.824 -3.192 1.00 33.21 H new ATOM 0 HD11 LEU A 6 7.910 -5.796 -1.009 1.00 74.15 H new ATOM 0 HD12 LEU A 6 8.752 -6.836 -2.182 1.00 74.15 H new ATOM 0 HD13 LEU A 6 9.397 -5.221 -1.800 1.00 74.15 H new ATOM 0 HD21 LEU A 6 6.658 -3.813 -1.772 1.00 13.34 H new ATOM 0 HD22 LEU A 6 8.095 -3.160 -2.594 1.00 13.34 H new ATOM 0 HD23 LEU A 6 6.585 -3.404 -3.503 1.00 13.34 H new ATOM 119 N ALA A 7 6.950 -8.139 -4.422 1.00 12.40 N ATOM 120 CA ALA A 7 6.914 -9.502 -3.908 1.00 63.34 C ATOM 121 C ALA A 7 7.107 -10.517 -5.031 1.00 1.34 C ATOM 122 O ALA A 7 7.619 -11.614 -4.807 1.00 11.31 O ATOM 123 CB ALA A 7 5.602 -9.759 -3.182 1.00 41.22 C ATOM 0 H ALA A 7 6.066 -7.636 -4.346 1.00 12.40 H new ATOM 0 HA ALA A 7 7.736 -9.619 -3.202 1.00 63.34 H new ATOM 0 HB1 ALA A 7 5.590 -10.781 -2.804 1.00 41.22 H new ATOM 0 HB2 ALA A 7 5.505 -9.063 -2.349 1.00 41.22 H new ATOM 0 HB3 ALA A 7 4.770 -9.618 -3.872 1.00 41.22 H new ATOM 129 N TRP A 8 6.694 -10.143 -6.236 1.00 72.52 N ATOM 130 CA TRP A 8 6.821 -11.022 -7.393 1.00 73.24 C ATOM 131 C TRP A 8 8.154 -10.803 -8.100 1.00 12.40 C ATOM 132 O TRP A 8 8.685 -11.710 -8.741 1.00 12.22 O ATOM 133 CB TRP A 8 5.667 -10.784 -8.369 1.00 60.51 C ATOM 134 CG TRP A 8 4.392 -11.456 -7.957 1.00 22.14 C ATOM 135 CD1 TRP A 8 3.921 -11.609 -6.684 1.00 22.31 C ATOM 136 CD2 TRP A 8 3.427 -12.067 -8.820 1.00 0.30 C ATOM 137 NE1 TRP A 8 2.721 -12.278 -6.704 1.00 62.41 N ATOM 138 CE2 TRP A 8 2.396 -12.569 -8.002 1.00 72.35 C ATOM 139 CE3 TRP A 8 3.332 -12.236 -10.204 1.00 3.12 C ATOM 140 CZ2 TRP A 8 1.287 -13.229 -8.525 1.00 71.50 C ATOM 141 CZ3 TRP A 8 2.231 -12.892 -10.721 1.00 3.31 C ATOM 142 CH2 TRP A 8 1.220 -13.381 -9.883 1.00 62.24 C ATOM 0 H TRP A 8 6.269 -9.238 -6.438 1.00 72.52 H new ATOM 0 HA TRP A 8 6.783 -12.053 -7.041 1.00 73.24 H new ATOM 0 HB2 TRP A 8 5.492 -9.712 -8.459 1.00 60.51 H new ATOM 0 HB3 TRP A 8 5.956 -11.143 -9.357 1.00 60.51 H new ATOM 0 HD1 TRP A 8 4.419 -11.256 -5.793 1.00 22.31 H new ATOM 0 HE1 TRP A 8 2.163 -12.519 -5.885 1.00 62.41 H new ATOM 0 HE3 TRP A 8 4.105 -11.861 -10.858 1.00 3.12 H new ATOM 0 HZ2 TRP A 8 0.507 -13.608 -7.881 1.00 71.50 H new ATOM 0 HZ3 TRP A 8 2.148 -13.030 -11.789 1.00 3.31 H new ATOM 0 HH2 TRP A 8 0.371 -13.888 -10.318 1.00 62.24 H new ATOM 153 N VAL A 9 8.691 -9.593 -7.979 1.00 53.40 N ATOM 154 CA VAL A 9 9.963 -9.255 -8.605 1.00 42.34 C ATOM 155 C VAL A 9 11.130 -9.885 -7.853 1.00 43.54 C ATOM 156 O VAL A 9 12.192 -10.129 -8.427 1.00 31.43 O ATOM 157 CB VAL A 9 10.170 -7.730 -8.668 1.00 44.24 C ATOM 158 CG1 VAL A 9 11.511 -7.399 -9.306 1.00 41.22 C ATOM 159 CG2 VAL A 9 9.031 -7.069 -9.429 1.00 40.33 C ATOM 0 H VAL A 9 8.264 -8.830 -7.453 1.00 53.40 H new ATOM 0 HA VAL A 9 9.932 -9.652 -9.620 1.00 42.34 H new ATOM 0 HB VAL A 9 10.172 -7.339 -7.651 1.00 44.24 H new ATOM 0 HG11 VAL A 9 11.640 -6.317 -9.342 1.00 41.22 H new ATOM 0 HG12 VAL A 9 12.314 -7.840 -8.715 1.00 41.22 H new ATOM 0 HG13 VAL A 9 11.542 -7.802 -10.318 1.00 41.22 H new ATOM 0 HG21 VAL A 9 9.194 -5.992 -9.464 1.00 40.33 H new ATOM 0 HG22 VAL A 9 8.995 -7.463 -10.444 1.00 40.33 H new ATOM 0 HG23 VAL A 9 8.087 -7.277 -8.925 1.00 40.33 H new ATOM 169 N ASP A 10 10.926 -10.145 -6.567 1.00 2.22 N ATOM 170 CA ASP A 10 11.961 -10.748 -5.735 1.00 62.22 C ATOM 171 C ASP A 10 12.368 -12.114 -6.279 1.00 71.04 C ATOM 172 O ASP A 10 13.522 -12.348 -6.637 1.00 64.33 O ATOM 173 CB ASP A 10 11.471 -10.885 -4.293 1.00 31.40 C ATOM 174 CG ASP A 10 12.092 -9.855 -3.370 1.00 31.40 C ATOM 175 OD1 ASP A 10 12.396 -8.740 -3.844 1.00 30.33 O ATOM 176 OD2 ASP A 10 12.273 -10.164 -2.174 1.00 0.13 O ATOM 0 H ASP A 10 10.053 -9.948 -6.077 1.00 2.22 H new ATOM 0 HA ASP A 10 12.833 -10.095 -5.753 1.00 62.22 H new ATOM 0 HB2 ASP A 10 10.386 -10.782 -4.270 1.00 31.40 H new ATOM 0 HB3 ASP A 10 11.704 -11.885 -3.926 1.00 31.40 H new ATOM 181 N PRO A 11 11.398 -13.039 -6.343 1.00 43.31 N ATOM 182 CA PRO A 11 11.632 -14.397 -6.842 1.00 35.22 C ATOM 183 C PRO A 11 11.893 -14.426 -8.344 1.00 30.42 C ATOM 184 O PRO A 11 12.571 -15.321 -8.848 1.00 3.10 O ATOM 185 CB PRO A 11 10.326 -15.125 -6.512 1.00 70.20 C ATOM 186 CG PRO A 11 9.296 -14.050 -6.458 1.00 21.11 C ATOM 187 CD PRO A 11 9.999 -12.829 -5.934 1.00 5.15 C ATOM 0 HA PRO A 11 12.515 -14.850 -6.392 1.00 35.22 H new ATOM 0 HB2 PRO A 11 10.084 -15.868 -7.272 1.00 70.20 H new ATOM 0 HB3 PRO A 11 10.397 -15.654 -5.561 1.00 70.20 H new ATOM 0 HG2 PRO A 11 8.874 -13.864 -7.446 1.00 21.11 H new ATOM 0 HG3 PRO A 11 8.469 -14.334 -5.807 1.00 21.11 H new ATOM 0 HD2 PRO A 11 9.588 -11.914 -6.362 1.00 5.15 H new ATOM 0 HD3 PRO A 11 9.905 -12.745 -4.851 1.00 5.15 H new ATOM 195 N ALA A 12 11.351 -13.442 -9.053 1.00 72.24 N ATOM 196 CA ALA A 12 11.528 -13.354 -10.498 1.00 31.35 C ATOM 197 C ALA A 12 12.943 -12.911 -10.851 1.00 45.10 C ATOM 198 O ALA A 12 13.638 -13.575 -11.620 1.00 45.14 O ATOM 199 CB ALA A 12 10.508 -12.398 -11.097 1.00 51.41 C ATOM 0 H ALA A 12 10.786 -12.694 -8.651 1.00 72.24 H new ATOM 0 HA ALA A 12 11.370 -14.346 -10.920 1.00 31.35 H new ATOM 0 HB1 ALA A 12 10.652 -12.342 -12.176 1.00 51.41 H new ATOM 0 HB2 ALA A 12 9.502 -12.759 -10.883 1.00 51.41 H new ATOM 0 HB3 ALA A 12 10.638 -11.407 -10.662 1.00 51.41 H new ATOM 205 N TYR A 13 13.364 -11.785 -10.285 1.00 62.13 N ATOM 206 CA TYR A 13 14.696 -11.251 -10.544 1.00 23.54 C ATOM 207 C TYR A 13 15.773 -12.252 -10.134 1.00 51.00 C ATOM 208 O TYR A 13 16.654 -12.590 -10.924 1.00 12.40 O ATOM 209 CB TYR A 13 14.896 -9.935 -9.791 1.00 53.55 C ATOM 210 CG TYR A 13 16.267 -9.328 -9.985 1.00 61.13 C ATOM 211 CD1 TYR A 13 16.520 -8.454 -11.035 1.00 12.30 C ATOM 212 CD2 TYR A 13 17.310 -9.629 -9.118 1.00 0.02 C ATOM 213 CE1 TYR A 13 17.771 -7.898 -11.216 1.00 65.01 C ATOM 214 CE2 TYR A 13 18.565 -9.077 -9.290 1.00 54.25 C ATOM 215 CZ TYR A 13 18.790 -8.212 -10.341 1.00 64.43 C ATOM 216 OH TYR A 13 20.038 -7.660 -10.518 1.00 3.15 O ATOM 0 H TYR A 13 12.802 -11.225 -9.644 1.00 62.13 H new ATOM 0 HA TYR A 13 14.784 -11.067 -11.615 1.00 23.54 H new ATOM 0 HB2 TYR A 13 14.142 -9.220 -10.120 1.00 53.55 H new ATOM 0 HB3 TYR A 13 14.731 -10.106 -8.727 1.00 53.55 H new ATOM 0 HD1 TYR A 13 15.724 -8.205 -11.722 1.00 12.30 H new ATOM 0 HD2 TYR A 13 17.137 -10.306 -8.295 1.00 0.02 H new ATOM 0 HE1 TYR A 13 17.951 -7.221 -12.038 1.00 65.01 H new ATOM 0 HE2 TYR A 13 19.365 -9.321 -8.606 1.00 54.25 H new ATOM 0 HH TYR A 13 20.641 -7.983 -9.816 1.00 3.15 H new ATOM 226 N GLU A 14 15.693 -12.722 -8.893 1.00 62.21 N ATOM 227 CA GLU A 14 16.661 -13.684 -8.378 1.00 35.01 C ATOM 228 C GLU A 14 16.788 -14.882 -9.314 1.00 61.23 C ATOM 229 O GLU A 14 17.850 -15.498 -9.412 1.00 12.14 O ATOM 230 CB GLU A 14 16.250 -14.156 -6.981 1.00 51.34 C ATOM 231 CG GLU A 14 15.077 -15.121 -6.986 1.00 33.34 C ATOM 232 CD GLU A 14 14.724 -15.617 -5.597 1.00 25.43 C ATOM 233 OE1 GLU A 14 15.296 -15.095 -4.617 1.00 34.01 O ATOM 234 OE2 GLU A 14 13.877 -16.528 -5.490 1.00 72.51 O ATOM 0 H GLU A 14 14.969 -12.453 -8.227 1.00 62.21 H new ATOM 0 HA GLU A 14 17.630 -13.189 -8.316 1.00 35.01 H new ATOM 0 HB2 GLU A 14 17.104 -14.637 -6.503 1.00 51.34 H new ATOM 0 HB3 GLU A 14 15.993 -13.288 -6.374 1.00 51.34 H new ATOM 0 HG2 GLU A 14 14.208 -14.629 -7.424 1.00 33.34 H new ATOM 0 HG3 GLU A 14 15.315 -15.973 -7.623 1.00 33.34 H new ATOM 241 N PHE A 15 15.698 -15.207 -10.001 1.00 60.52 N ATOM 242 CA PHE A 15 15.686 -16.333 -10.929 1.00 3.51 C ATOM 243 C PHE A 15 16.490 -16.010 -12.185 1.00 53.24 C ATOM 244 O PHE A 15 17.201 -16.863 -12.716 1.00 72.35 O ATOM 245 CB PHE A 15 14.249 -16.694 -11.308 1.00 14.51 C ATOM 246 CG PHE A 15 14.107 -18.078 -11.873 1.00 22.01 C ATOM 247 CD1 PHE A 15 14.634 -19.171 -11.204 1.00 2.22 C ATOM 248 CD2 PHE A 15 13.448 -18.286 -13.074 1.00 33.54 C ATOM 249 CE1 PHE A 15 14.506 -20.446 -11.721 1.00 35.32 C ATOM 250 CE2 PHE A 15 13.316 -19.559 -13.595 1.00 74.52 C ATOM 251 CZ PHE A 15 13.846 -20.641 -12.919 1.00 2.53 C ATOM 0 H PHE A 15 14.812 -14.707 -9.933 1.00 60.52 H new ATOM 0 HA PHE A 15 16.148 -17.186 -10.432 1.00 3.51 H new ATOM 0 HB2 PHE A 15 13.616 -16.604 -10.426 1.00 14.51 H new ATOM 0 HB3 PHE A 15 13.882 -15.973 -12.038 1.00 14.51 H new ATOM 0 HD1 PHE A 15 15.151 -19.025 -10.267 1.00 2.22 H new ATOM 0 HD2 PHE A 15 13.033 -17.444 -13.609 1.00 33.54 H new ATOM 0 HE1 PHE A 15 14.921 -21.289 -11.189 1.00 35.32 H new ATOM 0 HE2 PHE A 15 12.798 -19.708 -14.531 1.00 74.52 H new ATOM 0 HZ PHE A 15 13.745 -21.636 -13.326 1.00 2.53 H new ATOM 261 N ILE A 16 16.370 -14.773 -12.655 1.00 42.41 N ATOM 262 CA ILE A 16 17.085 -14.337 -13.848 1.00 50.33 C ATOM 263 C ILE A 16 18.593 -14.346 -13.620 1.00 14.31 C ATOM 264 O ILE A 16 19.357 -14.819 -14.461 1.00 73.33 O ATOM 265 CB ILE A 16 16.651 -12.923 -14.280 1.00 31.43 C ATOM 266 CG1 ILE A 16 15.145 -12.889 -14.550 1.00 43.13 C ATOM 267 CG2 ILE A 16 17.426 -12.484 -15.513 1.00 23.51 C ATOM 268 CD1 ILE A 16 14.720 -13.763 -15.709 1.00 55.11 C ATOM 0 H ILE A 16 15.785 -14.055 -12.228 1.00 42.41 H new ATOM 0 HA ILE A 16 16.835 -15.043 -14.640 1.00 50.33 H new ATOM 0 HB ILE A 16 16.872 -12.228 -13.470 1.00 31.43 H new ATOM 0 HG12 ILE A 16 14.616 -13.207 -13.652 1.00 43.13 H new ATOM 0 HG13 ILE A 16 14.843 -11.861 -14.751 1.00 43.13 H new ATOM 0 HG21 ILE A 16 17.108 -11.483 -15.806 1.00 23.51 H new ATOM 0 HG22 ILE A 16 18.493 -12.474 -15.288 1.00 23.51 H new ATOM 0 HG23 ILE A 16 17.234 -13.179 -16.330 1.00 23.51 H new ATOM 0 HD11 ILE A 16 13.641 -13.690 -15.843 1.00 55.11 H new ATOM 0 HD12 ILE A 16 15.222 -13.431 -16.618 1.00 55.11 H new ATOM 0 HD13 ILE A 16 14.991 -14.798 -15.502 1.00 55.11 H new ATOM 280 N LYS A 17 19.015 -13.820 -12.475 1.00 22.51 N ATOM 281 CA LYS A 17 20.431 -13.770 -12.132 1.00 45.03 C ATOM 282 C LYS A 17 20.991 -15.174 -11.923 1.00 50.50 C ATOM 283 O LYS A 17 22.182 -15.412 -12.116 1.00 24.45 O ATOM 284 CB LYS A 17 20.642 -12.932 -10.869 1.00 42.12 C ATOM 285 CG LYS A 17 19.901 -13.464 -9.655 1.00 75.23 C ATOM 286 CD LYS A 17 20.148 -12.602 -8.429 1.00 32.34 C ATOM 287 CE LYS A 17 21.610 -12.634 -8.011 1.00 0.40 C ATOM 288 NZ LYS A 17 21.766 -12.916 -6.557 1.00 73.32 N ATOM 0 H LYS A 17 18.396 -13.422 -11.769 1.00 22.51 H new ATOM 0 HA LYS A 17 20.964 -13.306 -12.962 1.00 45.03 H new ATOM 0 HB2 LYS A 17 21.708 -12.891 -10.644 1.00 42.12 H new ATOM 0 HB3 LYS A 17 20.317 -11.910 -11.063 1.00 42.12 H new ATOM 0 HG2 LYS A 17 18.832 -13.499 -9.867 1.00 75.23 H new ATOM 0 HG3 LYS A 17 20.220 -14.486 -9.452 1.00 75.23 H new ATOM 0 HD2 LYS A 17 19.851 -11.575 -8.639 1.00 32.34 H new ATOM 0 HD3 LYS A 17 19.525 -12.952 -7.606 1.00 32.34 H new ATOM 0 HE2 LYS A 17 22.136 -13.396 -8.587 1.00 0.40 H new ATOM 0 HE3 LYS A 17 22.076 -11.677 -8.247 1.00 0.40 H new ATOM 0 HZ1 LYS A 17 22.777 -12.929 -6.312 1.00 73.32 H new ATOM 0 HZ2 LYS A 17 21.286 -12.176 -6.006 1.00 73.32 H new ATOM 0 HZ3 LYS A 17 21.344 -13.840 -6.335 1.00 73.32 H new ATOM 302 N GLY A 18 20.122 -16.100 -11.529 1.00 1.43 N ATOM 303 CA GLY A 18 20.549 -17.468 -11.302 1.00 35.05 C ATOM 304 C GLY A 18 20.637 -18.269 -12.586 1.00 14.44 C ATOM 305 O GLY A 18 21.542 -19.085 -12.756 1.00 22.32 O ATOM 0 H GLY A 18 19.131 -15.927 -11.363 1.00 1.43 H new ATOM 0 HA2 GLY A 18 21.523 -17.465 -10.812 1.00 35.05 H new ATOM 0 HA3 GLY A 18 19.851 -17.955 -10.621 1.00 35.05 H new ATOM 309 N PHE A 19 19.693 -18.036 -13.492 1.00 32.31 N ATOM 310 CA PHE A 19 19.666 -18.744 -14.766 1.00 70.25 C ATOM 311 C PHE A 19 20.799 -18.273 -15.674 1.00 75.31 C ATOM 312 O PHE A 19 21.284 -19.024 -16.519 1.00 45.22 O ATOM 313 CB PHE A 19 18.319 -18.535 -15.462 1.00 3.10 C ATOM 314 CG PHE A 19 17.600 -19.816 -15.773 1.00 72.12 C ATOM 315 CD1 PHE A 19 16.861 -20.466 -14.797 1.00 41.24 C ATOM 316 CD2 PHE A 19 17.662 -20.370 -17.041 1.00 74.45 C ATOM 317 CE1 PHE A 19 16.199 -21.645 -15.081 1.00 72.20 C ATOM 318 CE2 PHE A 19 17.001 -21.550 -17.331 1.00 50.51 C ATOM 319 CZ PHE A 19 16.268 -22.187 -16.350 1.00 33.13 C ATOM 0 H PHE A 19 18.937 -17.363 -13.367 1.00 32.31 H new ATOM 0 HA PHE A 19 19.802 -19.807 -14.565 1.00 70.25 H new ATOM 0 HB2 PHE A 19 17.684 -17.916 -14.828 1.00 3.10 H new ATOM 0 HB3 PHE A 19 18.479 -17.984 -16.388 1.00 3.10 H new ATOM 0 HD1 PHE A 19 16.802 -20.046 -13.804 1.00 41.24 H new ATOM 0 HD2 PHE A 19 18.233 -19.875 -17.812 1.00 74.45 H new ATOM 0 HE1 PHE A 19 15.628 -22.143 -14.311 1.00 72.20 H new ATOM 0 HE2 PHE A 19 17.058 -21.972 -18.323 1.00 50.51 H new ATOM 0 HZ PHE A 19 15.749 -23.107 -16.574 1.00 33.13 H new ATOM 329 N GLY A 20 21.214 -17.023 -15.493 1.00 32.35 N ATOM 330 CA GLY A 20 22.285 -16.472 -16.302 1.00 21.51 C ATOM 331 C GLY A 20 23.312 -15.725 -15.474 1.00 72.41 C ATOM 332 O GLY A 20 23.674 -14.593 -15.794 1.00 63.13 O ATOM 0 H GLY A 20 20.827 -16.382 -14.800 1.00 32.35 H new ATOM 0 HA2 GLY A 20 22.778 -17.279 -16.845 1.00 21.51 H new ATOM 0 HA3 GLY A 20 21.863 -15.797 -17.047 1.00 21.51 H new ATOM 336 N LYS A 21 23.782 -16.359 -14.405 1.00 14.33 N ATOM 337 CA LYS A 21 24.773 -15.748 -13.527 1.00 13.30 C ATOM 338 C LYS A 21 26.067 -15.464 -14.282 1.00 64.51 C ATOM 339 O LYS A 21 26.891 -14.664 -13.842 1.00 44.23 O ATOM 340 CB LYS A 21 25.056 -16.660 -12.331 1.00 43.42 C ATOM 341 CG LYS A 21 25.714 -17.975 -12.712 1.00 10.23 C ATOM 342 CD LYS A 21 24.736 -19.134 -12.621 1.00 71.11 C ATOM 343 CE LYS A 21 24.456 -19.515 -11.176 1.00 34.25 C ATOM 344 NZ LYS A 21 24.871 -20.915 -10.880 1.00 54.53 N ATOM 0 H LYS A 21 23.492 -17.296 -14.126 1.00 14.33 H new ATOM 0 HA LYS A 21 24.369 -14.802 -13.167 1.00 13.30 H new ATOM 0 HB2 LYS A 21 25.699 -16.132 -11.626 1.00 43.42 H new ATOM 0 HB3 LYS A 21 24.119 -16.868 -11.814 1.00 43.42 H new ATOM 0 HG2 LYS A 21 26.105 -17.907 -13.727 1.00 10.23 H new ATOM 0 HG3 LYS A 21 26.563 -18.162 -12.055 1.00 10.23 H new ATOM 0 HD2 LYS A 21 23.803 -18.863 -13.114 1.00 71.11 H new ATOM 0 HD3 LYS A 21 25.140 -19.995 -13.154 1.00 71.11 H new ATOM 0 HE2 LYS A 21 24.985 -18.832 -10.511 1.00 34.25 H new ATOM 0 HE3 LYS A 21 23.392 -19.401 -10.970 1.00 34.25 H new ATOM 0 HZ1 LYS A 21 24.663 -21.136 -9.885 1.00 54.53 H new ATOM 0 HZ2 LYS A 21 24.348 -21.570 -11.496 1.00 54.53 H new ATOM 0 HZ3 LYS A 21 25.892 -21.018 -11.052 1.00 54.53 H new ATOM 358 N GLY A 22 26.239 -16.126 -15.423 1.00 21.35 N ATOM 359 CA GLY A 22 27.435 -15.931 -16.221 1.00 1.51 C ATOM 360 C GLY A 22 27.333 -14.724 -17.133 1.00 15.03 C ATOM 361 O GLY A 22 28.111 -13.779 -17.012 1.00 50.42 O ATOM 0 H GLY A 22 25.571 -16.794 -15.808 1.00 21.35 H new ATOM 0 HA2 GLY A 22 28.294 -15.812 -15.560 1.00 1.51 H new ATOM 0 HA3 GLY A 22 27.617 -16.822 -16.822 1.00 1.51 H new ATOM 365 N ALA A 23 26.370 -14.757 -18.049 1.00 3.32 N ATOM 366 CA ALA A 23 26.169 -13.657 -18.985 1.00 34.55 C ATOM 367 C ALA A 23 27.476 -13.272 -19.668 1.00 51.23 C ATOM 368 O ALA A 23 27.748 -12.091 -19.886 1.00 43.13 O ATOM 369 CB ALA A 23 25.572 -12.456 -18.267 1.00 32.04 C ATOM 0 H ALA A 23 25.717 -15.533 -18.163 1.00 3.32 H new ATOM 0 HA ALA A 23 25.472 -13.990 -19.754 1.00 34.55 H new ATOM 0 HB1 ALA A 23 25.427 -11.642 -18.978 1.00 32.04 H new ATOM 0 HB2 ALA A 23 24.612 -12.733 -17.832 1.00 32.04 H new ATOM 0 HB3 ALA A 23 26.249 -12.131 -17.477 1.00 32.04 H new ATOM 375 N ILE A 24 28.281 -14.274 -20.004 1.00 20.35 N ATOM 376 CA ILE A 24 29.559 -14.039 -20.663 1.00 5.11 C ATOM 377 C ILE A 24 29.359 -13.562 -22.097 1.00 53.22 C ATOM 378 O ILE A 24 30.223 -12.897 -22.669 1.00 60.43 O ATOM 379 CB ILE A 24 30.430 -15.310 -20.673 1.00 52.55 C ATOM 380 CG1 ILE A 24 30.615 -15.839 -19.250 1.00 71.10 C ATOM 381 CG2 ILE A 24 31.778 -15.023 -21.317 1.00 40.43 C ATOM 382 CD1 ILE A 24 31.249 -14.838 -18.310 1.00 51.54 C ATOM 0 H ILE A 24 28.070 -15.257 -19.830 1.00 20.35 H new ATOM 0 HA ILE A 24 30.070 -13.263 -20.093 1.00 5.11 H new ATOM 0 HB ILE A 24 29.924 -16.075 -21.262 1.00 52.55 H new ATOM 0 HG12 ILE A 24 29.644 -16.134 -18.852 1.00 71.10 H new ATOM 0 HG13 ILE A 24 31.233 -16.736 -19.282 1.00 71.10 H new ATOM 0 HG21 ILE A 24 32.382 -15.930 -21.317 1.00 40.43 H new ATOM 0 HG22 ILE A 24 31.627 -14.688 -22.343 1.00 40.43 H new ATOM 0 HG23 ILE A 24 32.292 -14.245 -20.753 1.00 40.43 H new ATOM 0 HD11 ILE A 24 31.349 -15.282 -17.319 1.00 51.54 H new ATOM 0 HD12 ILE A 24 32.234 -14.561 -18.685 1.00 51.54 H new ATOM 0 HD13 ILE A 24 30.621 -13.949 -18.248 1.00 51.54 H new ATOM 394 N LYS A 25 28.211 -13.904 -22.673 1.00 42.54 N ATOM 395 CA LYS A 25 27.893 -13.508 -24.040 1.00 63.23 C ATOM 396 C LYS A 25 27.738 -11.995 -24.147 1.00 10.41 C ATOM 397 O LYS A 25 27.996 -11.408 -25.197 1.00 61.13 O ATOM 398 CB LYS A 25 26.609 -14.197 -24.507 1.00 20.52 C ATOM 399 CG LYS A 25 25.425 -13.965 -23.585 1.00 15.20 C ATOM 400 CD LYS A 25 24.383 -13.067 -24.231 1.00 41.50 C ATOM 401 CE LYS A 25 22.975 -13.442 -23.795 1.00 22.22 C ATOM 402 NZ LYS A 25 22.419 -14.555 -24.614 1.00 1.24 N ATOM 0 H LYS A 25 27.485 -14.455 -22.214 1.00 42.54 H new ATOM 0 HA LYS A 25 28.718 -13.817 -24.682 1.00 63.23 H new ATOM 0 HB2 LYS A 25 26.357 -13.839 -25.505 1.00 20.52 H new ATOM 0 HB3 LYS A 25 26.791 -15.269 -24.589 1.00 20.52 H new ATOM 0 HG2 LYS A 25 24.972 -14.922 -23.326 1.00 15.20 H new ATOM 0 HG3 LYS A 25 25.770 -13.513 -22.655 1.00 15.20 H new ATOM 0 HD2 LYS A 25 24.582 -12.028 -23.967 1.00 41.50 H new ATOM 0 HD3 LYS A 25 24.461 -13.140 -25.316 1.00 41.50 H new ATOM 0 HE2 LYS A 25 22.986 -13.734 -22.745 1.00 22.22 H new ATOM 0 HE3 LYS A 25 22.325 -12.571 -23.877 1.00 22.22 H new ATOM 0 HZ1 LYS A 25 21.458 -14.781 -24.286 1.00 1.24 H new ATOM 0 HZ2 LYS A 25 22.385 -14.268 -25.613 1.00 1.24 H new ATOM 0 HZ3 LYS A 25 23.025 -15.395 -24.516 1.00 1.24 H new ATOM 416 N GLU A 26 27.316 -11.369 -23.052 1.00 42.13 N ATOM 417 CA GLU A 26 27.128 -9.923 -23.024 1.00 72.23 C ATOM 418 C GLU A 26 28.466 -9.198 -23.129 1.00 64.01 C ATOM 419 O GLU A 26 28.541 -8.079 -23.635 1.00 14.15 O ATOM 420 CB GLU A 26 26.408 -9.505 -21.741 1.00 31.25 C ATOM 421 CG GLU A 26 25.026 -10.119 -21.590 1.00 23.42 C ATOM 422 CD GLU A 26 23.934 -9.249 -22.180 1.00 74.51 C ATOM 423 OE1 GLU A 26 23.848 -8.064 -21.797 1.00 1.12 O ATOM 424 OE2 GLU A 26 23.164 -9.754 -23.024 1.00 42.35 O ATOM 0 H GLU A 26 27.098 -11.840 -22.174 1.00 42.13 H new ATOM 0 HA GLU A 26 26.516 -9.645 -23.882 1.00 72.23 H new ATOM 0 HB2 GLU A 26 27.018 -9.789 -20.883 1.00 31.25 H new ATOM 0 HB3 GLU A 26 26.318 -8.419 -21.723 1.00 31.25 H new ATOM 0 HG2 GLU A 26 25.011 -11.094 -22.076 1.00 23.42 H new ATOM 0 HG3 GLU A 26 24.820 -10.287 -20.533 1.00 23.42 H new ATOM 431 N GLY A 27 29.523 -9.845 -22.646 1.00 71.13 N ATOM 432 CA GLY A 27 30.844 -9.247 -22.694 1.00 24.30 C ATOM 433 C GLY A 27 31.350 -8.849 -21.322 1.00 5.02 C ATOM 434 O GLY A 27 31.495 -7.664 -21.027 1.00 4.45 O ATOM 0 H GLY A 27 29.487 -10.772 -22.223 1.00 71.13 H new ATOM 0 HA2 GLY A 27 31.542 -9.952 -23.145 1.00 24.30 H new ATOM 0 HA3 GLY A 27 30.818 -8.368 -23.338 1.00 24.30 H new ATOM 438 N ASN A 28 31.618 -9.842 -20.480 1.00 65.23 N ATOM 439 CA ASN A 28 32.109 -9.589 -19.130 1.00 40.04 C ATOM 440 C ASN A 28 33.598 -9.259 -19.146 1.00 5.20 C ATOM 441 O ASN A 28 34.406 -9.949 -18.524 1.00 34.54 O ATOM 442 CB ASN A 28 31.854 -10.804 -18.236 1.00 71.03 C ATOM 443 CG ASN A 28 30.464 -10.794 -17.630 1.00 11.01 C ATOM 444 OD1 ASN A 28 29.612 -9.994 -18.017 1.00 34.41 O ATOM 445 ND2 ASN A 28 30.229 -11.685 -16.673 1.00 45.24 N ATOM 0 H ASN A 28 31.503 -10.829 -20.709 1.00 65.23 H new ATOM 0 HA ASN A 28 31.569 -8.731 -18.729 1.00 40.04 H new ATOM 0 HB2 ASN A 28 31.987 -11.715 -18.819 1.00 71.03 H new ATOM 0 HB3 ASN A 28 32.595 -10.826 -17.437 1.00 71.03 H new ATOM 0 HD21 ASN A 28 29.312 -11.725 -16.227 1.00 45.24 H new ATOM 0 HD22 ASN A 28 30.965 -12.329 -16.384 1.00 45.24 H new ATOM 452 N LYS A 29 33.956 -8.198 -19.861 1.00 42.41 N ATOM 453 CA LYS A 29 35.348 -7.773 -19.957 1.00 53.14 C ATOM 454 C LYS A 29 35.784 -7.046 -18.689 1.00 72.40 C ATOM 455 O LYS A 29 36.967 -7.029 -18.348 1.00 35.54 O ATOM 456 CB LYS A 29 35.542 -6.862 -21.172 1.00 35.12 C ATOM 457 CG LYS A 29 35.600 -7.612 -22.491 1.00 70.04 C ATOM 458 CD LYS A 29 34.597 -7.061 -23.491 1.00 33.12 C ATOM 459 CE LYS A 29 34.468 -7.965 -24.707 1.00 74.20 C ATOM 460 NZ LYS A 29 35.428 -7.590 -25.782 1.00 12.24 N ATOM 0 H LYS A 29 33.301 -7.616 -20.383 1.00 42.41 H new ATOM 0 HA LYS A 29 35.966 -8.663 -20.075 1.00 53.14 H new ATOM 0 HB2 LYS A 29 34.725 -6.141 -21.209 1.00 35.12 H new ATOM 0 HB3 LYS A 29 36.463 -6.294 -21.046 1.00 35.12 H new ATOM 0 HG2 LYS A 29 36.605 -7.542 -22.906 1.00 70.04 H new ATOM 0 HG3 LYS A 29 35.400 -8.669 -22.318 1.00 70.04 H new ATOM 0 HD2 LYS A 29 33.624 -6.954 -23.011 1.00 33.12 H new ATOM 0 HD3 LYS A 29 34.907 -6.065 -23.808 1.00 33.12 H new ATOM 0 HE2 LYS A 29 34.641 -8.999 -24.410 1.00 74.20 H new ATOM 0 HE3 LYS A 29 33.450 -7.910 -25.094 1.00 74.20 H new ATOM 0 HZ1 LYS A 29 35.308 -8.230 -26.593 1.00 12.24 H new ATOM 0 HZ2 LYS A 29 35.247 -6.611 -26.083 1.00 12.24 H new ATOM 0 HZ3 LYS A 29 36.400 -7.667 -25.421 1.00 12.24 H new ATOM 474 N ASP A 30 34.822 -6.449 -17.995 1.00 12.04 N ATOM 475 CA ASP A 30 35.106 -5.723 -16.762 1.00 64.12 C ATOM 476 C ASP A 30 33.915 -5.778 -15.812 1.00 34.15 C ATOM 477 O ASP A 30 33.607 -4.802 -15.127 1.00 52.01 O ATOM 478 CB ASP A 30 35.460 -4.268 -17.072 1.00 44.25 C ATOM 479 CG ASP A 30 34.252 -3.455 -17.494 1.00 60.32 C ATOM 480 OD1 ASP A 30 33.454 -3.960 -18.311 1.00 34.34 O ATOM 481 OD2 ASP A 30 34.105 -2.314 -17.009 1.00 2.14 O ATOM 0 H ASP A 30 33.838 -6.453 -18.265 1.00 12.04 H new ATOM 0 HA ASP A 30 35.957 -6.201 -16.276 1.00 64.12 H new ATOM 0 HB2 ASP A 30 35.912 -3.812 -16.191 1.00 44.25 H new ATOM 0 HB3 ASP A 30 36.208 -4.240 -17.864 1.00 44.25 H new ATOM 486 N LYS A 31 33.246 -6.926 -15.775 1.00 2.22 N ATOM 487 CA LYS A 31 32.088 -7.110 -14.909 1.00 12.35 C ATOM 488 C LYS A 31 32.491 -7.039 -13.439 1.00 73.50 C ATOM 489 O LYS A 31 31.661 -6.769 -12.571 1.00 1.32 O ATOM 490 CB LYS A 31 31.415 -8.453 -15.200 1.00 42.03 C ATOM 491 CG LYS A 31 32.290 -9.653 -14.881 1.00 73.13 C ATOM 492 CD LYS A 31 32.102 -10.114 -13.445 1.00 44.25 C ATOM 493 CE LYS A 31 33.431 -10.466 -12.795 1.00 65.54 C ATOM 494 NZ LYS A 31 33.790 -11.896 -13.007 1.00 64.11 N ATOM 0 H LYS A 31 33.487 -7.743 -16.336 1.00 2.22 H new ATOM 0 HA LYS A 31 31.382 -6.305 -15.113 1.00 12.35 H new ATOM 0 HB2 LYS A 31 30.494 -8.521 -14.621 1.00 42.03 H new ATOM 0 HB3 LYS A 31 31.134 -8.488 -16.252 1.00 42.03 H new ATOM 0 HG2 LYS A 31 32.050 -10.470 -15.561 1.00 73.13 H new ATOM 0 HG3 LYS A 31 33.336 -9.396 -15.048 1.00 73.13 H new ATOM 0 HD2 LYS A 31 31.612 -9.328 -12.871 1.00 44.25 H new ATOM 0 HD3 LYS A 31 31.444 -10.983 -13.424 1.00 44.25 H new ATOM 0 HE2 LYS A 31 34.216 -9.830 -13.205 1.00 65.54 H new ATOM 0 HE3 LYS A 31 33.379 -10.259 -11.726 1.00 65.54 H new ATOM 0 HZ1 LYS A 31 34.702 -12.097 -12.549 1.00 64.11 H new ATOM 0 HZ2 LYS A 31 33.054 -12.504 -12.594 1.00 64.11 H new ATOM 0 HZ3 LYS A 31 33.865 -12.088 -14.026 1.00 64.11 H new ATOM 508 N TRP A 32 33.768 -7.283 -13.168 1.00 72.54 N ATOM 509 CA TRP A 32 34.280 -7.246 -11.803 1.00 62.24 C ATOM 510 C TRP A 32 34.231 -5.829 -11.242 1.00 63.50 C ATOM 511 O TRP A 32 34.214 -5.632 -10.027 1.00 35.52 O ATOM 512 CB TRP A 32 35.715 -7.776 -11.761 1.00 15.24 C ATOM 513 CG TRP A 32 36.634 -7.078 -12.717 1.00 21.13 C ATOM 514 CD1 TRP A 32 36.923 -7.454 -13.997 1.00 42.34 C ATOM 515 CD2 TRP A 32 37.386 -5.885 -12.467 1.00 33.42 C ATOM 516 NE1 TRP A 32 37.809 -6.566 -14.559 1.00 24.21 N ATOM 517 CE2 TRP A 32 38.108 -5.595 -13.641 1.00 11.43 C ATOM 518 CE3 TRP A 32 37.517 -5.034 -11.367 1.00 3.32 C ATOM 519 CZ2 TRP A 32 38.949 -4.490 -13.742 1.00 52.54 C ATOM 520 CZ3 TRP A 32 38.352 -3.938 -11.469 1.00 45.42 C ATOM 521 CH2 TRP A 32 39.059 -3.673 -12.650 1.00 51.30 C ATOM 0 H TRP A 32 34.468 -7.509 -13.875 1.00 72.54 H new ATOM 0 HA TRP A 32 33.647 -7.883 -11.185 1.00 62.24 H new ATOM 0 HB2 TRP A 32 36.105 -7.668 -10.749 1.00 15.24 H new ATOM 0 HB3 TRP A 32 35.708 -8.842 -11.988 1.00 15.24 H new ATOM 0 HD1 TRP A 32 36.516 -8.321 -14.495 1.00 42.34 H new ATOM 0 HE1 TRP A 32 38.183 -6.621 -15.506 1.00 24.21 H new ATOM 0 HE3 TRP A 32 36.975 -5.229 -10.453 1.00 3.32 H new ATOM 0 HZ2 TRP A 32 39.495 -4.285 -14.651 1.00 52.54 H new ATOM 0 HZ3 TRP A 32 38.462 -3.274 -10.624 1.00 45.42 H new ATOM 0 HH2 TRP A 32 39.703 -2.807 -12.699 1.00 51.30 H new ATOM 532 N LYS A 33 34.209 -4.845 -12.134 1.00 4.22 N ATOM 533 CA LYS A 33 34.161 -3.445 -11.728 1.00 31.21 C ATOM 534 C LYS A 33 32.920 -3.166 -10.886 1.00 51.52 C ATOM 535 O LYS A 33 32.901 -2.236 -10.081 1.00 44.41 O ATOM 536 CB LYS A 33 34.171 -2.535 -12.958 1.00 62.33 C ATOM 537 CG LYS A 33 35.363 -2.762 -13.872 1.00 50.14 C ATOM 538 CD LYS A 33 36.540 -1.884 -13.482 1.00 22.22 C ATOM 539 CE LYS A 33 36.263 -0.418 -13.775 1.00 4.41 C ATOM 540 NZ LYS A 33 36.308 0.413 -12.540 1.00 23.02 N ATOM 0 H LYS A 33 34.224 -4.991 -13.143 1.00 4.22 H new ATOM 0 HA LYS A 33 35.044 -3.237 -11.123 1.00 31.21 H new ATOM 0 HB2 LYS A 33 33.254 -2.694 -13.525 1.00 62.33 H new ATOM 0 HB3 LYS A 33 34.167 -1.495 -12.631 1.00 62.33 H new ATOM 0 HG2 LYS A 33 35.660 -3.810 -13.830 1.00 50.14 H new ATOM 0 HG3 LYS A 33 35.077 -2.552 -14.903 1.00 50.14 H new ATOM 0 HD2 LYS A 33 36.753 -2.010 -12.420 1.00 22.22 H new ATOM 0 HD3 LYS A 33 37.429 -2.203 -14.026 1.00 22.22 H new ATOM 0 HE2 LYS A 33 36.997 -0.046 -14.490 1.00 4.41 H new ATOM 0 HE3 LYS A 33 35.284 -0.320 -14.243 1.00 4.41 H new ATOM 0 HZ1 LYS A 33 36.114 1.406 -12.782 1.00 23.02 H new ATOM 0 HZ2 LYS A 33 35.591 0.074 -11.867 1.00 23.02 H new ATOM 0 HZ3 LYS A 33 37.251 0.340 -12.107 1.00 23.02 H new ATOM 554 N ASN A 34 31.885 -3.978 -11.077 1.00 43.34 N ATOM 555 CA ASN A 34 30.640 -3.818 -10.335 1.00 5.43 C ATOM 556 C ASN A 34 30.630 -4.703 -9.093 1.00 23.54 C ATOM 557 O ASN A 34 29.655 -4.725 -8.341 1.00 72.25 O ATOM 558 CB ASN A 34 29.444 -4.156 -11.226 1.00 15.32 C ATOM 559 CG ASN A 34 28.746 -2.916 -11.751 1.00 73.14 C ATOM 560 OD1 ASN A 34 27.529 -2.775 -11.627 1.00 30.31 O ATOM 561 ND2 ASN A 34 29.515 -2.010 -12.343 1.00 63.12 N ATOM 0 H ASN A 34 31.884 -4.754 -11.740 1.00 43.34 H new ATOM 0 HA ASN A 34 30.566 -2.778 -10.019 1.00 5.43 H new ATOM 0 HB2 ASN A 34 29.780 -4.764 -12.066 1.00 15.32 H new ATOM 0 HB3 ASN A 34 28.733 -4.759 -10.661 1.00 15.32 H new ATOM 0 HD21 ASN A 34 29.101 -1.156 -12.717 1.00 63.12 H new ATOM 0 HD22 ASN A 34 30.519 -2.168 -12.424 1.00 63.12 H new ATOM 568 N ILE A 35 31.722 -5.432 -8.883 1.00 53.22 N ATOM 569 CA ILE A 35 31.839 -6.318 -7.732 1.00 10.22 C ATOM 570 C ILE A 35 30.622 -7.229 -7.613 1.00 12.42 C ATOM 571 O ILE A 35 30.067 -7.675 -8.617 1.00 32.53 O ATOM 572 CB ILE A 35 32.000 -5.522 -6.423 1.00 45.12 C ATOM 573 CG1 ILE A 35 33.215 -4.595 -6.511 1.00 31.32 C ATOM 574 CG2 ILE A 35 32.134 -6.469 -5.240 1.00 64.12 C ATOM 575 CD1 ILE A 35 34.530 -5.333 -6.637 1.00 13.44 C ATOM 0 H ILE A 35 32.538 -5.426 -9.495 1.00 53.22 H new ATOM 0 HA ILE A 35 32.730 -6.925 -7.891 1.00 10.22 H new ATOM 0 HB ILE A 35 31.110 -4.911 -6.275 1.00 45.12 H new ATOM 0 HG12 ILE A 35 33.095 -3.933 -7.369 1.00 31.32 H new ATOM 0 HG13 ILE A 35 33.245 -3.964 -5.623 1.00 31.32 H new ATOM 0 HG21 ILE A 35 32.247 -5.891 -4.323 1.00 64.12 H new ATOM 0 HG22 ILE A 35 31.242 -7.091 -5.169 1.00 64.12 H new ATOM 0 HG23 ILE A 35 33.009 -7.104 -5.379 1.00 64.12 H new ATOM 0 HD11 ILE A 35 35.347 -4.614 -6.694 1.00 13.44 H new ATOM 0 HD12 ILE A 35 34.672 -5.975 -5.767 1.00 13.44 H new ATOM 0 HD13 ILE A 35 34.520 -5.943 -7.540 1.00 13.44 H new TER 587 ILE A 35