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+ 176:sc= -0.581 (180deg=-0.636) 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+ -169:sc= -0.013 (180deg=-0.139) USER MOD Single : A 28 ASN : amide:sc= -0.733 X(o=-0.73,f=-0.44) 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= -0.672 X(o=-0.67,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 11.215 2.334 -16.912 1.00 25.32 N ATOM 2 CA LYS A 1 12.148 3.111 -16.103 1.00 75.34 C ATOM 3 C LYS A 1 13.055 2.195 -15.288 1.00 34.12 C ATOM 4 O LYS A 1 14.217 2.516 -15.039 1.00 51.11 O ATOM 5 CB LYS A 1 11.383 4.052 -15.170 1.00 1.01 C ATOM 6 CG LYS A 1 10.279 3.366 -14.385 1.00 32.42 C ATOM 7 CD LYS A 1 8.907 3.692 -14.950 1.00 72.24 C ATOM 8 CE LYS A 1 8.516 5.134 -14.668 1.00 0.33 C ATOM 9 NZ LYS A 1 8.282 5.902 -15.922 1.00 73.42 N ATOM 0 H1 LYS A 1 10.564 2.978 -17.406 1.00 25.32 H new ATOM 0 H2 LYS A 1 11.744 1.774 -17.611 1.00 25.32 H new ATOM 0 H3 LYS A 1 10.671 1.696 -16.297 1.00 25.32 H new ATOM 0 HA LYS A 1 12.769 3.702 -16.776 1.00 75.34 H new ATOM 0 HB2 LYS A 1 12.085 4.507 -14.471 1.00 1.01 H new ATOM 0 HB3 LYS A 1 10.950 4.861 -15.759 1.00 1.01 H new ATOM 0 HG2 LYS A 1 10.434 2.287 -14.404 1.00 32.42 H new ATOM 0 HG3 LYS A 1 10.327 3.677 -13.341 1.00 32.42 H new ATOM 0 HD2 LYS A 1 8.905 3.517 -16.026 1.00 72.24 H new ATOM 0 HD3 LYS A 1 8.165 3.021 -14.516 1.00 72.24 H new ATOM 0 HE2 LYS A 1 7.613 5.152 -14.057 1.00 0.33 H new ATOM 0 HE3 LYS A 1 9.303 5.617 -14.088 1.00 0.33 H new ATOM 0 HZ1 LYS A 1 8.018 6.880 -15.686 1.00 73.42 H new ATOM 0 HZ2 LYS A 1 9.151 5.907 -16.494 1.00 73.42 H new ATOM 0 HZ3 LYS A 1 7.514 5.457 -16.463 1.00 73.42 H new ATOM 23 N LYS A 2 12.517 1.052 -14.875 1.00 11.33 N ATOM 24 CA LYS A 2 13.278 0.088 -14.089 1.00 72.24 C ATOM 25 C LYS A 2 12.598 -1.278 -14.097 1.00 51.43 C ATOM 26 O LYS A 2 11.443 -1.409 -13.691 1.00 4.44 O ATOM 27 CB LYS A 2 13.436 0.582 -12.650 1.00 14.42 C ATOM 28 CG LYS A 2 14.564 -0.098 -11.893 1.00 54.43 C ATOM 29 CD LYS A 2 15.280 0.873 -10.970 1.00 4.31 C ATOM 30 CE LYS A 2 16.189 0.144 -9.991 1.00 55.44 C ATOM 31 NZ LYS A 2 17.564 -0.028 -10.534 1.00 44.05 N ATOM 0 H LYS A 2 11.556 0.771 -15.072 1.00 11.33 H new ATOM 0 HA LYS A 2 14.264 -0.013 -14.542 1.00 72.24 H new ATOM 0 HB2 LYS A 2 13.614 1.657 -12.662 1.00 14.42 H new ATOM 0 HB3 LYS A 2 12.501 0.420 -12.114 1.00 14.42 H new ATOM 0 HG2 LYS A 2 14.164 -0.928 -11.310 1.00 54.43 H new ATOM 0 HG3 LYS A 2 15.276 -0.520 -12.602 1.00 54.43 H new ATOM 0 HD2 LYS A 2 15.869 1.573 -11.563 1.00 4.31 H new ATOM 0 HD3 LYS A 2 14.546 1.461 -10.418 1.00 4.31 H new ATOM 0 HE2 LYS A 2 16.235 0.701 -9.055 1.00 55.44 H new ATOM 0 HE3 LYS A 2 15.765 -0.833 -9.760 1.00 55.44 H new ATOM 0 HZ1 LYS A 2 18.152 -0.529 -9.838 1.00 44.05 H new ATOM 0 HZ2 LYS A 2 17.523 -0.581 -11.414 1.00 44.05 H new ATOM 0 HZ3 LYS A 2 17.979 0.905 -10.730 1.00 44.05 H new ATOM 45 N TRP A 3 13.321 -2.291 -14.561 1.00 11.52 N ATOM 46 CA TRP A 3 12.787 -3.647 -14.620 1.00 11.43 C ATOM 47 C TRP A 3 12.873 -4.325 -13.257 1.00 63.32 C ATOM 48 O TRP A 3 12.094 -5.227 -12.952 1.00 12.33 O ATOM 49 CB TRP A 3 13.544 -4.470 -15.663 1.00 24.15 C ATOM 50 CG TRP A 3 12.719 -4.807 -16.867 1.00 71.22 C ATOM 51 CD1 TRP A 3 12.690 -5.999 -17.533 1.00 71.14 C ATOM 52 CD2 TRP A 3 11.805 -3.942 -17.549 1.00 50.43 C ATOM 53 NE1 TRP A 3 11.813 -5.926 -18.589 1.00 31.42 N ATOM 54 CE2 TRP A 3 11.256 -4.675 -18.620 1.00 25.14 C ATOM 55 CE3 TRP A 3 11.395 -2.619 -17.359 1.00 60.31 C ATOM 56 CZ2 TRP A 3 10.322 -4.128 -19.495 1.00 33.24 C ATOM 57 CZ3 TRP A 3 10.467 -2.078 -18.229 1.00 4.14 C ATOM 58 CH2 TRP A 3 9.938 -2.831 -19.285 1.00 24.41 C ATOM 0 H TRP A 3 14.278 -2.199 -14.902 1.00 11.52 H new ATOM 0 HA TRP A 3 11.738 -3.586 -14.909 1.00 11.43 H new ATOM 0 HB2 TRP A 3 14.428 -3.916 -15.980 1.00 24.15 H new ATOM 0 HB3 TRP A 3 13.895 -5.393 -15.202 1.00 24.15 H new ATOM 0 HD1 TRP A 3 13.271 -6.871 -17.269 1.00 71.14 H new ATOM 0 HE1 TRP A 3 11.610 -6.681 -19.244 1.00 31.42 H new ATOM 0 HE3 TRP A 3 11.796 -2.030 -16.547 1.00 60.31 H new ATOM 0 HZ2 TRP A 3 9.915 -4.706 -20.311 1.00 33.24 H new ATOM 0 HZ3 TRP A 3 10.144 -1.057 -18.092 1.00 4.14 H new ATOM 0 HH2 TRP A 3 9.213 -2.380 -19.946 1.00 24.41 H new ATOM 69 N GLY A 4 13.827 -3.886 -12.441 1.00 53.11 N ATOM 70 CA GLY A 4 13.997 -4.463 -11.120 1.00 54.13 C ATOM 71 C GLY A 4 12.738 -4.370 -10.281 1.00 10.12 C ATOM 72 O GLY A 4 12.542 -5.157 -9.355 1.00 71.42 O ATOM 0 H GLY A 4 14.485 -3.141 -12.671 1.00 53.11 H new ATOM 0 HA2 GLY A 4 14.288 -5.509 -11.218 1.00 54.13 H new ATOM 0 HA3 GLY A 4 14.811 -3.952 -10.606 1.00 54.13 H new ATOM 76 N TRP A 5 11.884 -3.405 -10.603 1.00 4.24 N ATOM 77 CA TRP A 5 10.639 -3.211 -9.869 1.00 55.34 C ATOM 78 C TRP A 5 9.626 -4.295 -10.220 1.00 71.23 C ATOM 79 O TRP A 5 8.941 -4.826 -9.345 1.00 13.53 O ATOM 80 CB TRP A 5 10.053 -1.831 -10.174 1.00 50.02 C ATOM 81 CG TRP A 5 8.678 -1.632 -9.611 1.00 43.52 C ATOM 82 CD1 TRP A 5 8.220 -2.059 -8.398 1.00 14.11 C ATOM 83 CD2 TRP A 5 7.584 -0.956 -10.241 1.00 22.02 C ATOM 84 NE1 TRP A 5 6.906 -1.690 -8.235 1.00 41.34 N ATOM 85 CE2 TRP A 5 6.493 -1.011 -9.351 1.00 62.24 C ATOM 86 CE3 TRP A 5 7.420 -0.308 -11.468 1.00 64.21 C ATOM 87 CZ2 TRP A 5 5.258 -0.444 -9.653 1.00 71.21 C ATOM 88 CZ3 TRP A 5 6.194 0.254 -11.766 1.00 74.21 C ATOM 89 CH2 TRP A 5 5.126 0.184 -10.862 1.00 34.32 C ATOM 0 H TRP A 5 12.031 -2.745 -11.367 1.00 4.24 H new ATOM 0 HA TRP A 5 10.860 -3.277 -8.804 1.00 55.34 H new ATOM 0 HB2 TRP A 5 10.717 -1.065 -9.772 1.00 50.02 H new ATOM 0 HB3 TRP A 5 10.020 -1.689 -11.254 1.00 50.02 H new ATOM 0 HD1 TRP A 5 8.804 -2.606 -7.673 1.00 14.11 H new ATOM 0 HE1 TRP A 5 6.332 -1.889 -7.416 1.00 41.34 H new ATOM 0 HE3 TRP A 5 8.238 -0.248 -12.171 1.00 64.21 H new ATOM 0 HZ2 TRP A 5 4.433 -0.498 -8.958 1.00 71.21 H new ATOM 0 HZ3 TRP A 5 6.056 0.756 -12.712 1.00 74.21 H new ATOM 0 HH2 TRP A 5 4.180 0.634 -11.124 1.00 34.32 H new ATOM 100 N LEU A 6 9.536 -4.621 -11.505 1.00 32.11 N ATOM 101 CA LEU A 6 8.606 -5.644 -11.971 1.00 50.25 C ATOM 102 C LEU A 6 9.193 -7.039 -11.786 1.00 65.21 C ATOM 103 O LEU A 6 8.474 -8.037 -11.827 1.00 0.30 O ATOM 104 CB LEU A 6 8.262 -5.414 -13.444 1.00 73.41 C ATOM 105 CG LEU A 6 7.620 -6.594 -14.175 1.00 60.31 C ATOM 106 CD1 LEU A 6 6.242 -6.891 -13.604 1.00 1.42 C ATOM 107 CD2 LEU A 6 7.531 -6.312 -15.668 1.00 22.42 C ATOM 0 H LEU A 6 10.095 -4.192 -12.242 1.00 32.11 H new ATOM 0 HA LEU A 6 7.696 -5.572 -11.375 1.00 50.25 H new ATOM 0 HB2 LEU A 6 7.587 -4.561 -13.510 1.00 73.41 H new ATOM 0 HB3 LEU A 6 9.176 -5.139 -13.971 1.00 73.41 H new ATOM 0 HG LEU A 6 8.248 -7.472 -14.028 1.00 60.31 H new ATOM 0 HD11 LEU A 6 5.801 -7.734 -14.137 1.00 1.42 H new ATOM 0 HD12 LEU A 6 6.332 -7.138 -12.546 1.00 1.42 H new ATOM 0 HD13 LEU A 6 5.604 -6.015 -13.719 1.00 1.42 H new ATOM 0 HD21 LEU A 6 7.072 -7.162 -16.172 1.00 22.42 H new ATOM 0 HD22 LEU A 6 6.926 -5.421 -15.835 1.00 22.42 H new ATOM 0 HD23 LEU A 6 8.532 -6.150 -16.068 1.00 22.42 H new ATOM 119 N ALA A 7 10.505 -7.101 -11.580 1.00 50.13 N ATOM 120 CA ALA A 7 11.188 -8.373 -11.384 1.00 64.32 C ATOM 121 C ALA A 7 10.494 -9.210 -10.315 1.00 24.11 C ATOM 122 O ALA A 7 10.085 -10.343 -10.569 1.00 23.02 O ATOM 123 CB ALA A 7 12.644 -8.138 -11.011 1.00 25.25 C ATOM 0 H ALA A 7 11.115 -6.285 -11.545 1.00 50.13 H new ATOM 0 HA ALA A 7 11.150 -8.926 -12.322 1.00 64.32 H new ATOM 0 HB1 ALA A 7 13.142 -9.097 -10.868 1.00 25.25 H new ATOM 0 HB2 ALA A 7 13.140 -7.587 -11.810 1.00 25.25 H new ATOM 0 HB3 ALA A 7 12.694 -7.561 -10.088 1.00 25.25 H new ATOM 129 N TRP A 8 10.366 -8.646 -9.120 1.00 10.53 N ATOM 130 CA TRP A 8 9.722 -9.341 -8.011 1.00 74.04 C ATOM 131 C TRP A 8 8.205 -9.333 -8.172 1.00 24.44 C ATOM 132 O TRP A 8 7.488 -9.991 -7.417 1.00 63.03 O ATOM 133 CB TRP A 8 10.110 -8.693 -6.681 1.00 75.12 C ATOM 134 CG TRP A 8 9.395 -7.402 -6.418 1.00 75.34 C ATOM 135 CD1 TRP A 8 9.707 -6.174 -6.927 1.00 3.14 C ATOM 136 CD2 TRP A 8 8.248 -7.213 -5.582 1.00 50.32 C ATOM 137 NE1 TRP A 8 8.824 -5.232 -6.457 1.00 2.04 N ATOM 138 CE2 TRP A 8 7.919 -5.844 -5.631 1.00 12.13 C ATOM 139 CE3 TRP A 8 7.466 -8.066 -4.799 1.00 2.11 C ATOM 140 CZ2 TRP A 8 6.843 -5.312 -4.925 1.00 1.22 C ATOM 141 CZ3 TRP A 8 6.399 -7.536 -4.099 1.00 21.23 C ATOM 142 CH2 TRP A 8 6.095 -6.170 -4.166 1.00 32.12 C ATOM 0 H TRP A 8 10.700 -7.709 -8.894 1.00 10.53 H new ATOM 0 HA TRP A 8 10.064 -10.376 -8.015 1.00 74.04 H new ATOM 0 HB2 TRP A 8 9.897 -9.390 -5.870 1.00 75.12 H new ATOM 0 HB3 TRP A 8 11.185 -8.513 -6.673 1.00 75.12 H new ATOM 0 HD1 TRP A 8 10.527 -5.973 -7.600 1.00 3.14 H new ATOM 0 HE1 TRP A 8 8.840 -4.238 -6.686 1.00 2.04 H new ATOM 0 HE3 TRP A 8 7.691 -9.121 -4.742 1.00 2.11 H new ATOM 0 HZ2 TRP A 8 6.607 -4.259 -4.975 1.00 1.22 H new ATOM 0 HZ3 TRP A 8 5.789 -8.186 -3.490 1.00 21.23 H new ATOM 0 HH2 TRP A 8 5.254 -5.787 -3.608 1.00 32.12 H new ATOM 153 N VAL A 9 7.723 -8.586 -9.159 1.00 14.41 N ATOM 154 CA VAL A 9 6.291 -8.494 -9.419 1.00 11.14 C ATOM 155 C VAL A 9 5.814 -9.656 -10.282 1.00 55.13 C ATOM 156 O VAL A 9 4.779 -10.264 -10.007 1.00 0.25 O ATOM 157 CB VAL A 9 5.931 -7.169 -10.116 1.00 13.52 C ATOM 158 CG1 VAL A 9 4.453 -7.139 -10.476 1.00 42.12 C ATOM 159 CG2 VAL A 9 6.296 -5.986 -9.232 1.00 1.40 C ATOM 0 H VAL A 9 8.303 -8.035 -9.792 1.00 14.41 H new ATOM 0 HA VAL A 9 5.790 -8.534 -8.452 1.00 11.14 H new ATOM 0 HB VAL A 9 6.507 -7.096 -11.039 1.00 13.52 H new ATOM 0 HG11 VAL A 9 4.217 -6.195 -10.968 1.00 42.12 H new ATOM 0 HG12 VAL A 9 4.226 -7.966 -11.149 1.00 42.12 H new ATOM 0 HG13 VAL A 9 3.856 -7.235 -9.569 1.00 42.12 H new ATOM 0 HG21 VAL A 9 6.035 -5.058 -9.740 1.00 1.40 H new ATOM 0 HG22 VAL A 9 5.748 -6.052 -8.292 1.00 1.40 H new ATOM 0 HG23 VAL A 9 7.367 -6.000 -9.030 1.00 1.40 H new ATOM 169 N ASP A 10 6.574 -9.960 -11.328 1.00 41.21 N ATOM 170 CA ASP A 10 6.230 -11.051 -12.233 1.00 1.24 C ATOM 171 C ASP A 10 7.472 -11.579 -12.944 1.00 52.44 C ATOM 172 O ASP A 10 7.678 -11.351 -14.137 1.00 12.33 O ATOM 173 CB ASP A 10 5.198 -10.584 -13.260 1.00 12.30 C ATOM 174 CG ASP A 10 4.314 -11.715 -13.748 1.00 14.54 C ATOM 175 OD1 ASP A 10 4.747 -12.883 -13.667 1.00 14.24 O ATOM 176 OD2 ASP A 10 3.189 -11.431 -14.211 1.00 72.20 O ATOM 0 H ASP A 10 7.433 -9.466 -11.571 1.00 41.21 H new ATOM 0 HA ASP A 10 5.801 -11.860 -11.641 1.00 1.24 H new ATOM 0 HB2 ASP A 10 4.576 -9.806 -12.818 1.00 12.30 H new ATOM 0 HB3 ASP A 10 5.713 -10.136 -14.110 1.00 12.30 H new ATOM 181 N PRO A 11 8.321 -12.300 -12.198 1.00 35.34 N ATOM 182 CA PRO A 11 9.557 -12.875 -12.736 1.00 51.03 C ATOM 183 C PRO A 11 9.289 -14.017 -13.711 1.00 11.14 C ATOM 184 O PRO A 11 10.047 -14.229 -14.657 1.00 13.33 O ATOM 185 CB PRO A 11 10.279 -13.393 -11.490 1.00 63.53 C ATOM 186 CG PRO A 11 9.194 -13.648 -10.502 1.00 3.13 C ATOM 187 CD PRO A 11 8.138 -12.611 -10.770 1.00 24.52 C ATOM 0 HA PRO A 11 10.132 -12.145 -13.306 1.00 51.03 H new ATOM 0 HB2 PRO A 11 10.839 -14.303 -11.707 1.00 63.53 H new ATOM 0 HB3 PRO A 11 10.993 -12.661 -11.113 1.00 63.53 H new ATOM 0 HG2 PRO A 11 8.791 -14.654 -10.616 1.00 3.13 H new ATOM 0 HG3 PRO A 11 9.569 -13.569 -9.482 1.00 3.13 H new ATOM 0 HD2 PRO A 11 7.138 -12.994 -10.567 1.00 24.52 H new ATOM 0 HD3 PRO A 11 8.274 -11.728 -10.146 1.00 24.52 H new ATOM 195 N ALA A 12 8.206 -14.750 -13.473 1.00 11.42 N ATOM 196 CA ALA A 12 7.837 -15.868 -14.331 1.00 60.52 C ATOM 197 C ALA A 12 7.503 -15.392 -15.741 1.00 31.13 C ATOM 198 O ALA A 12 7.912 -16.005 -16.727 1.00 4.00 O ATOM 199 CB ALA A 12 6.660 -16.625 -13.735 1.00 34.42 C ATOM 0 H ALA A 12 7.569 -14.589 -12.693 1.00 11.42 H new ATOM 0 HA ALA A 12 8.692 -16.541 -14.396 1.00 60.52 H new ATOM 0 HB1 ALA A 12 6.395 -17.458 -14.387 1.00 34.42 H new ATOM 0 HB2 ALA A 12 6.933 -17.007 -12.751 1.00 34.42 H new ATOM 0 HB3 ALA A 12 5.807 -15.954 -13.639 1.00 34.42 H new ATOM 205 N TYR A 13 6.757 -14.297 -15.828 1.00 54.25 N ATOM 206 CA TYR A 13 6.365 -13.740 -17.118 1.00 33.21 C ATOM 207 C TYR A 13 7.579 -13.553 -18.022 1.00 42.31 C ATOM 208 O TYR A 13 7.687 -14.185 -19.072 1.00 45.43 O ATOM 209 CB TYR A 13 5.648 -12.403 -16.923 1.00 45.23 C ATOM 210 CG TYR A 13 4.718 -12.043 -18.060 1.00 21.14 C ATOM 211 CD1 TYR A 13 5.193 -11.916 -19.359 1.00 60.30 C ATOM 212 CD2 TYR A 13 3.364 -11.831 -17.834 1.00 35.14 C ATOM 213 CE1 TYR A 13 4.347 -11.587 -20.400 1.00 33.11 C ATOM 214 CE2 TYR A 13 2.509 -11.503 -18.869 1.00 5.03 C ATOM 215 CZ TYR A 13 3.006 -11.382 -20.150 1.00 11.31 C ATOM 216 OH TYR A 13 2.159 -11.055 -21.184 1.00 42.03 O ATOM 0 H TYR A 13 6.411 -13.777 -15.021 1.00 54.25 H new ATOM 0 HA TYR A 13 5.684 -14.443 -17.597 1.00 33.21 H new ATOM 0 HB2 TYR A 13 5.077 -12.438 -15.995 1.00 45.23 H new ATOM 0 HB3 TYR A 13 6.392 -11.614 -16.810 1.00 45.23 H new ATOM 0 HD1 TYR A 13 6.242 -12.077 -19.559 1.00 60.30 H new ATOM 0 HD2 TYR A 13 2.972 -11.924 -16.832 1.00 35.14 H new ATOM 0 HE1 TYR A 13 4.733 -11.491 -21.404 1.00 33.11 H new ATOM 0 HE2 TYR A 13 1.459 -11.342 -18.676 1.00 5.03 H new ATOM 0 HH TYR A 13 1.248 -10.946 -20.839 1.00 42.03 H new ATOM 226 N GLU A 14 8.490 -12.680 -17.604 1.00 45.55 N ATOM 227 CA GLU A 14 9.698 -12.408 -18.376 1.00 75.23 C ATOM 228 C GLU A 14 10.524 -13.678 -18.558 1.00 2.12 C ATOM 229 O GLU A 14 11.192 -13.857 -19.576 1.00 41.15 O ATOM 230 CB GLU A 14 10.539 -11.333 -17.687 1.00 5.42 C ATOM 231 CG GLU A 14 11.911 -11.139 -18.312 1.00 74.03 C ATOM 232 CD GLU A 14 12.405 -9.710 -18.203 1.00 50.34 C ATOM 233 OE1 GLU A 14 11.842 -8.834 -18.893 1.00 41.32 O ATOM 234 OE2 GLU A 14 13.354 -9.467 -17.429 1.00 42.14 O ATOM 0 H GLU A 14 8.415 -12.149 -16.736 1.00 45.55 H new ATOM 0 HA GLU A 14 9.397 -12.047 -19.359 1.00 75.23 H new ATOM 0 HB2 GLU A 14 9.999 -10.387 -17.716 1.00 5.42 H new ATOM 0 HB3 GLU A 14 10.662 -11.597 -16.637 1.00 5.42 H new ATOM 0 HG2 GLU A 14 12.625 -11.804 -17.826 1.00 74.03 H new ATOM 0 HG3 GLU A 14 11.871 -11.427 -19.363 1.00 74.03 H new ATOM 241 N PHE A 15 10.474 -14.557 -17.562 1.00 44.32 N ATOM 242 CA PHE A 15 11.219 -15.809 -17.610 1.00 63.41 C ATOM 243 C PHE A 15 10.724 -16.693 -18.751 1.00 70.30 C ATOM 244 O PHE A 15 11.505 -17.408 -19.381 1.00 12.34 O ATOM 245 CB PHE A 15 11.091 -16.555 -16.280 1.00 3.30 C ATOM 246 CG PHE A 15 11.937 -17.793 -16.203 1.00 65.30 C ATOM 247 CD1 PHE A 15 11.456 -19.007 -16.667 1.00 45.23 C ATOM 248 CD2 PHE A 15 13.214 -17.744 -15.666 1.00 33.02 C ATOM 249 CE1 PHE A 15 12.233 -20.149 -16.598 1.00 54.54 C ATOM 250 CE2 PHE A 15 13.995 -18.882 -15.595 1.00 34.23 C ATOM 251 CZ PHE A 15 13.503 -20.086 -16.060 1.00 60.13 C ATOM 0 H PHE A 15 9.925 -14.425 -16.712 1.00 44.32 H new ATOM 0 HA PHE A 15 12.268 -15.572 -17.786 1.00 63.41 H new ATOM 0 HB2 PHE A 15 11.369 -15.883 -15.468 1.00 3.30 H new ATOM 0 HB3 PHE A 15 10.047 -16.828 -16.125 1.00 3.30 H new ATOM 0 HD1 PHE A 15 10.463 -19.062 -17.087 1.00 45.23 H new ATOM 0 HD2 PHE A 15 13.603 -16.806 -15.299 1.00 33.02 H new ATOM 0 HE1 PHE A 15 11.847 -21.089 -16.964 1.00 54.54 H new ATOM 0 HE2 PHE A 15 14.989 -18.830 -15.176 1.00 34.23 H new ATOM 0 HZ PHE A 15 14.111 -20.977 -16.003 1.00 60.13 H new ATOM 261 N ILE A 16 9.422 -16.640 -19.011 1.00 10.44 N ATOM 262 CA ILE A 16 8.822 -17.434 -20.075 1.00 64.42 C ATOM 263 C ILE A 16 9.204 -16.892 -21.448 1.00 42.41 C ATOM 264 O ILE A 16 9.460 -17.654 -22.381 1.00 12.24 O ATOM 265 CB ILE A 16 7.287 -17.467 -19.957 1.00 41.42 C ATOM 266 CG1 ILE A 16 6.870 -18.046 -18.604 1.00 11.00 C ATOM 267 CG2 ILE A 16 6.685 -18.278 -21.095 1.00 44.30 C ATOM 268 CD1 ILE A 16 5.677 -17.348 -17.990 1.00 12.23 C ATOM 0 H ILE A 16 8.762 -16.055 -18.499 1.00 10.44 H new ATOM 0 HA ILE A 16 9.208 -18.448 -19.967 1.00 64.42 H new ATOM 0 HB ILE A 16 6.910 -16.446 -20.026 1.00 41.42 H new ATOM 0 HG12 ILE A 16 6.638 -19.104 -18.727 1.00 11.00 H new ATOM 0 HG13 ILE A 16 7.712 -17.982 -17.915 1.00 11.00 H new ATOM 0 HG21 ILE A 16 5.599 -18.292 -20.997 1.00 44.30 H new ATOM 0 HG22 ILE A 16 6.958 -17.825 -22.048 1.00 44.30 H new ATOM 0 HG23 ILE A 16 7.066 -19.299 -21.056 1.00 44.30 H new ATOM 0 HD11 ILE A 16 5.438 -17.811 -17.033 1.00 12.23 H new ATOM 0 HD12 ILE A 16 5.912 -16.295 -17.835 1.00 12.23 H new ATOM 0 HD13 ILE A 16 4.821 -17.434 -18.659 1.00 12.23 H new ATOM 280 N LYS A 17 9.243 -15.569 -21.565 1.00 51.43 N ATOM 281 CA LYS A 17 9.597 -14.921 -22.823 1.00 72.40 C ATOM 282 C LYS A 17 11.101 -14.991 -23.067 1.00 30.45 C ATOM 283 O LYS A 17 11.560 -15.666 -23.987 1.00 52.14 O ATOM 284 CB LYS A 17 9.138 -13.462 -22.816 1.00 11.51 C ATOM 285 CG LYS A 17 7.784 -13.253 -22.161 1.00 15.21 C ATOM 286 CD LYS A 17 7.083 -12.020 -22.708 1.00 64.22 C ATOM 287 CE LYS A 17 5.934 -12.396 -23.631 1.00 42.30 C ATOM 288 NZ LYS A 17 5.443 -11.225 -24.409 1.00 74.03 N ATOM 0 H LYS A 17 9.034 -14.924 -20.803 1.00 51.43 H new ATOM 0 HA LYS A 17 9.091 -15.450 -23.630 1.00 72.40 H new ATOM 0 HB2 LYS A 17 9.881 -12.859 -22.295 1.00 11.51 H new ATOM 0 HB3 LYS A 17 9.095 -13.098 -23.843 1.00 11.51 H new ATOM 0 HG2 LYS A 17 7.160 -14.131 -22.327 1.00 15.21 H new ATOM 0 HG3 LYS A 17 7.912 -13.152 -21.083 1.00 15.21 H new ATOM 0 HD2 LYS A 17 6.705 -11.418 -21.881 1.00 64.22 H new ATOM 0 HD3 LYS A 17 7.800 -11.403 -23.250 1.00 64.22 H new ATOM 0 HE2 LYS A 17 6.260 -13.177 -24.317 1.00 42.30 H new ATOM 0 HE3 LYS A 17 5.116 -12.810 -23.042 1.00 42.30 H new ATOM 0 HZ1 LYS A 17 4.660 -11.522 -25.026 1.00 74.03 H new ATOM 0 HZ2 LYS A 17 5.108 -10.489 -23.755 1.00 74.03 H new ATOM 0 HZ3 LYS A 17 6.217 -10.845 -24.990 1.00 74.03 H new ATOM 302 N GLY A 18 11.864 -14.290 -22.233 1.00 63.44 N ATOM 303 CA GLY A 18 13.309 -14.288 -22.375 1.00 34.04 C ATOM 304 C GLY A 18 13.816 -13.070 -23.120 1.00 3.53 C ATOM 305 O GLY A 18 14.865 -12.520 -22.784 1.00 4.24 O ATOM 0 H GLY A 18 11.508 -13.724 -21.463 1.00 63.44 H new ATOM 0 HA2 GLY A 18 13.768 -14.323 -21.387 1.00 34.04 H new ATOM 0 HA3 GLY A 18 13.620 -15.189 -22.903 1.00 34.04 H new ATOM 309 N PHE A 19 13.072 -12.646 -24.136 1.00 34.51 N ATOM 310 CA PHE A 19 13.454 -11.487 -24.933 1.00 13.42 C ATOM 311 C PHE A 19 12.361 -11.133 -25.937 1.00 53.30 C ATOM 312 O PHE A 19 11.556 -11.981 -26.320 1.00 10.21 O ATOM 313 CB PHE A 19 14.769 -11.756 -25.667 1.00 73.51 C ATOM 314 CG PHE A 19 14.628 -12.714 -26.816 1.00 41.51 C ATOM 315 CD1 PHE A 19 14.497 -14.074 -26.590 1.00 21.14 C ATOM 316 CD2 PHE A 19 14.628 -12.253 -28.123 1.00 14.42 C ATOM 317 CE1 PHE A 19 14.367 -14.958 -27.645 1.00 1.43 C ATOM 318 CE2 PHE A 19 14.498 -13.131 -29.182 1.00 34.13 C ATOM 319 CZ PHE A 19 14.368 -14.485 -28.942 1.00 65.35 C ATOM 0 H PHE A 19 12.200 -13.088 -24.427 1.00 34.51 H new ATOM 0 HA PHE A 19 13.590 -10.642 -24.258 1.00 13.42 H new ATOM 0 HB2 PHE A 19 15.169 -10.812 -26.038 1.00 73.51 H new ATOM 0 HB3 PHE A 19 15.496 -12.154 -24.959 1.00 73.51 H new ATOM 0 HD1 PHE A 19 14.496 -14.449 -25.577 1.00 21.14 H new ATOM 0 HD2 PHE A 19 14.731 -11.195 -28.316 1.00 14.42 H new ATOM 0 HE1 PHE A 19 14.265 -16.016 -27.455 1.00 1.43 H new ATOM 0 HE2 PHE A 19 14.498 -12.759 -30.196 1.00 34.13 H new ATOM 0 HZ PHE A 19 14.267 -15.173 -29.768 1.00 65.35 H new ATOM 329 N GLY A 20 12.339 -9.872 -26.359 1.00 72.14 N ATOM 330 CA GLY A 20 11.341 -9.427 -27.314 1.00 51.04 C ATOM 331 C GLY A 20 10.197 -8.684 -26.654 1.00 12.04 C ATOM 332 O GLY A 20 9.028 -8.996 -26.884 1.00 42.20 O ATOM 0 H GLY A 20 12.994 -9.151 -26.057 1.00 72.14 H new ATOM 0 HA2 GLY A 20 11.813 -8.779 -28.052 1.00 51.04 H new ATOM 0 HA3 GLY A 20 10.948 -10.289 -27.852 1.00 51.04 H new ATOM 336 N LYS A 21 10.532 -7.699 -25.828 1.00 10.52 N ATOM 337 CA LYS A 21 9.525 -6.908 -25.130 1.00 73.22 C ATOM 338 C LYS A 21 10.175 -5.799 -24.310 1.00 25.23 C ATOM 339 O LYS A 21 9.631 -4.702 -24.189 1.00 25.41 O ATOM 340 CB LYS A 21 8.684 -7.805 -24.219 1.00 23.44 C ATOM 341 CG LYS A 21 9.509 -8.606 -23.225 1.00 74.05 C ATOM 342 CD LYS A 21 9.679 -7.860 -21.913 1.00 33.24 C ATOM 343 CE LYS A 21 9.032 -8.610 -20.758 1.00 0.11 C ATOM 344 NZ LYS A 21 8.737 -7.710 -19.609 1.00 34.24 N ATOM 0 H LYS A 21 11.494 -7.429 -25.625 1.00 10.52 H new ATOM 0 HA LYS A 21 8.877 -6.450 -25.877 1.00 73.22 H new ATOM 0 HB2 LYS A 21 7.971 -7.188 -23.673 1.00 23.44 H new ATOM 0 HB3 LYS A 21 8.104 -8.492 -24.835 1.00 23.44 H new ATOM 0 HG2 LYS A 21 9.026 -9.565 -23.039 1.00 74.05 H new ATOM 0 HG3 LYS A 21 10.489 -8.820 -23.653 1.00 74.05 H new ATOM 0 HD2 LYS A 21 10.740 -7.719 -21.708 1.00 33.24 H new ATOM 0 HD3 LYS A 21 9.236 -6.868 -21.997 1.00 33.24 H new ATOM 0 HE2 LYS A 21 8.108 -9.077 -21.100 1.00 0.11 H new ATOM 0 HE3 LYS A 21 9.693 -9.413 -20.430 1.00 0.11 H new ATOM 0 HZ1 LYS A 21 8.297 -8.258 -18.843 1.00 34.24 H new ATOM 0 HZ2 LYS A 21 9.621 -7.284 -19.266 1.00 34.24 H new ATOM 0 HZ3 LYS A 21 8.086 -6.959 -19.915 1.00 34.24 H new ATOM 358 N GLY A 22 11.345 -6.092 -23.749 1.00 33.45 N ATOM 359 CA GLY A 22 12.051 -5.109 -22.948 1.00 73.10 C ATOM 360 C GLY A 22 13.395 -5.613 -22.463 1.00 64.53 C ATOM 361 O GLY A 22 14.345 -4.842 -22.333 1.00 11.34 O ATOM 0 H GLY A 22 11.816 -6.993 -23.835 1.00 33.45 H new ATOM 0 HA2 GLY A 22 12.197 -4.203 -23.536 1.00 73.10 H new ATOM 0 HA3 GLY A 22 11.437 -4.836 -22.089 1.00 73.10 H new ATOM 365 N ALA A 23 13.476 -6.912 -22.194 1.00 64.43 N ATOM 366 CA ALA A 23 14.715 -7.519 -21.721 1.00 53.24 C ATOM 367 C ALA A 23 15.870 -7.219 -22.670 1.00 42.22 C ATOM 368 O ALA A 23 16.837 -6.555 -22.295 1.00 41.02 O ATOM 369 CB ALA A 23 14.538 -9.021 -21.560 1.00 24.42 C ATOM 0 H ALA A 23 12.699 -7.564 -22.295 1.00 64.43 H new ATOM 0 HA ALA A 23 14.956 -7.086 -20.750 1.00 53.24 H new ATOM 0 HB1 ALA A 23 15.470 -9.461 -21.206 1.00 24.42 H new ATOM 0 HB2 ALA A 23 13.746 -9.219 -20.837 1.00 24.42 H new ATOM 0 HB3 ALA A 23 14.270 -9.461 -22.521 1.00 24.42 H new ATOM 375 N ILE A 24 15.764 -7.712 -23.899 1.00 73.33 N ATOM 376 CA ILE A 24 16.800 -7.496 -24.901 1.00 60.12 C ATOM 377 C ILE A 24 16.750 -6.073 -25.445 1.00 42.54 C ATOM 378 O ILE A 24 17.772 -5.509 -25.837 1.00 65.32 O ATOM 379 CB ILE A 24 16.666 -8.487 -26.073 1.00 12.32 C ATOM 380 CG1 ILE A 24 17.902 -8.418 -26.972 1.00 10.32 C ATOM 381 CG2 ILE A 24 15.405 -8.193 -26.873 1.00 24.12 C ATOM 382 CD1 ILE A 24 19.173 -8.870 -26.287 1.00 51.51 C ATOM 0 H ILE A 24 14.971 -8.264 -24.225 1.00 73.33 H new ATOM 0 HA ILE A 24 17.757 -7.660 -24.406 1.00 60.12 H new ATOM 0 HB ILE A 24 16.590 -9.497 -25.669 1.00 12.32 H new ATOM 0 HG12 ILE A 24 17.735 -9.036 -27.854 1.00 10.32 H new ATOM 0 HG13 ILE A 24 18.031 -7.393 -27.320 1.00 10.32 H new ATOM 0 HG21 ILE A 24 15.324 -8.901 -27.698 1.00 24.12 H new ATOM 0 HG22 ILE A 24 14.533 -8.288 -26.226 1.00 24.12 H new ATOM 0 HG23 ILE A 24 15.454 -7.179 -27.269 1.00 24.12 H new ATOM 0 HD11 ILE A 24 20.008 -8.795 -26.983 1.00 51.51 H new ATOM 0 HD12 ILE A 24 19.364 -8.237 -25.421 1.00 51.51 H new ATOM 0 HD13 ILE A 24 19.063 -9.905 -25.963 1.00 51.51 H new ATOM 394 N LYS A 25 15.554 -5.494 -25.465 1.00 61.34 N ATOM 395 CA LYS A 25 15.369 -4.135 -25.958 1.00 42.43 C ATOM 396 C LYS A 25 16.166 -3.139 -25.121 1.00 20.31 C ATOM 397 O LYS A 25 16.914 -2.322 -25.657 1.00 72.54 O ATOM 398 CB LYS A 25 13.885 -3.760 -25.939 1.00 64.52 C ATOM 399 CG LYS A 25 12.996 -4.763 -26.653 1.00 60.44 C ATOM 400 CD LYS A 25 13.457 -4.999 -28.082 1.00 31.30 C ATOM 401 CE LYS A 25 13.421 -3.716 -28.898 1.00 63.31 C ATOM 402 NZ LYS A 25 12.039 -3.178 -29.025 1.00 12.20 N ATOM 0 H LYS A 25 14.697 -5.946 -25.145 1.00 61.34 H new ATOM 0 HA LYS A 25 15.734 -4.095 -26.984 1.00 42.43 H new ATOM 0 HB2 LYS A 25 13.555 -3.667 -24.904 1.00 64.52 H new ATOM 0 HB3 LYS A 25 13.760 -2.781 -26.403 1.00 64.52 H new ATOM 0 HG2 LYS A 25 13.000 -5.707 -26.108 1.00 60.44 H new ATOM 0 HG3 LYS A 25 11.968 -4.401 -26.656 1.00 60.44 H new ATOM 0 HD2 LYS A 25 14.471 -5.400 -28.077 1.00 31.30 H new ATOM 0 HD3 LYS A 25 12.820 -5.748 -28.552 1.00 31.30 H new ATOM 0 HE2 LYS A 25 14.060 -2.968 -28.428 1.00 63.31 H new ATOM 0 HE3 LYS A 25 13.830 -3.905 -29.891 1.00 63.31 H new ATOM 0 HZ1 LYS A 25 12.026 -2.417 -29.734 1.00 12.20 H new ATOM 0 HZ2 LYS A 25 11.396 -3.939 -29.322 1.00 12.20 H new ATOM 0 HZ3 LYS A 25 11.728 -2.801 -28.107 1.00 12.20 H new ATOM 416 N GLU A 26 16.001 -3.215 -23.804 1.00 23.10 N ATOM 417 CA GLU A 26 16.707 -2.320 -22.894 1.00 34.52 C ATOM 418 C GLU A 26 18.163 -2.746 -22.733 1.00 2.13 C ATOM 419 O GLU A 26 18.950 -2.068 -22.073 1.00 40.14 O ATOM 420 CB GLU A 26 16.016 -2.298 -21.528 1.00 64.24 C ATOM 421 CG GLU A 26 16.316 -3.519 -20.675 1.00 2.12 C ATOM 422 CD GLU A 26 15.228 -3.801 -19.658 1.00 34.24 C ATOM 423 OE1 GLU A 26 14.875 -2.877 -18.895 1.00 52.13 O ATOM 424 OE2 GLU A 26 14.729 -4.945 -19.624 1.00 31.45 O ATOM 0 H GLU A 26 15.386 -3.886 -23.344 1.00 23.10 H new ATOM 0 HA GLU A 26 16.685 -1.317 -23.321 1.00 34.52 H new ATOM 0 HB2 GLU A 26 16.325 -1.403 -20.988 1.00 64.24 H new ATOM 0 HB3 GLU A 26 14.939 -2.224 -21.676 1.00 64.24 H new ATOM 0 HG2 GLU A 26 16.438 -4.388 -21.321 1.00 2.12 H new ATOM 0 HG3 GLU A 26 17.263 -3.372 -20.157 1.00 2.12 H new ATOM 431 N GLY A 27 18.515 -3.875 -23.340 1.00 74.25 N ATOM 432 CA GLY A 27 19.875 -4.373 -23.252 1.00 40.23 C ATOM 433 C GLY A 27 20.717 -3.975 -24.449 1.00 14.14 C ATOM 434 O GLY A 27 21.856 -3.536 -24.296 1.00 32.40 O ATOM 0 H GLY A 27 17.882 -4.454 -23.892 1.00 74.25 H new ATOM 0 HA2 GLY A 27 20.340 -3.993 -22.342 1.00 40.23 H new ATOM 0 HA3 GLY A 27 19.856 -5.460 -23.170 1.00 40.23 H new ATOM 438 N ASN A 28 20.155 -4.130 -25.643 1.00 52.21 N ATOM 439 CA ASN A 28 20.863 -3.785 -26.871 1.00 35.41 C ATOM 440 C ASN A 28 20.923 -2.272 -27.058 1.00 25.54 C ATOM 441 O ASN A 28 21.898 -1.740 -27.589 1.00 2.24 O ATOM 442 CB ASN A 28 20.178 -4.432 -28.077 1.00 64.20 C ATOM 443 CG ASN A 28 19.037 -3.591 -28.615 1.00 2.55 C ATOM 444 OD1 ASN A 28 19.144 -2.991 -29.684 1.00 51.33 O ATOM 445 ND2 ASN A 28 17.937 -3.542 -27.872 1.00 61.43 N ATOM 0 H ASN A 28 19.212 -4.492 -25.787 1.00 52.21 H new ATOM 0 HA ASN A 28 21.882 -4.164 -26.793 1.00 35.41 H new ATOM 0 HB2 ASN A 28 20.913 -4.590 -28.867 1.00 64.20 H new ATOM 0 HB3 ASN A 28 19.799 -5.414 -27.793 1.00 64.20 H new ATOM 0 HD21 ASN A 28 17.137 -2.991 -28.182 1.00 61.43 H new ATOM 0 HD22 ASN A 28 17.893 -4.056 -26.992 1.00 61.43 H new ATOM 452 N LYS A 29 19.875 -1.585 -26.617 1.00 5.23 N ATOM 453 CA LYS A 29 19.809 -0.133 -26.732 1.00 52.15 C ATOM 454 C LYS A 29 20.680 0.538 -25.676 1.00 25.24 C ATOM 455 O LYS A 29 21.103 1.682 -25.841 1.00 45.02 O ATOM 456 CB LYS A 29 18.361 0.344 -26.593 1.00 45.51 C ATOM 457 CG LYS A 29 17.858 0.350 -25.160 1.00 42.10 C ATOM 458 CD LYS A 29 16.351 0.534 -25.099 1.00 42.30 C ATOM 459 CE LYS A 29 15.953 1.506 -23.999 1.00 54.32 C ATOM 460 NZ LYS A 29 15.882 2.908 -24.497 1.00 4.25 N ATOM 0 H LYS A 29 19.059 -2.011 -26.176 1.00 5.23 H new ATOM 0 HA LYS A 29 20.185 0.146 -27.716 1.00 52.15 H new ATOM 0 HB2 LYS A 29 18.278 1.351 -27.003 1.00 45.51 H new ATOM 0 HB3 LYS A 29 17.716 -0.298 -27.193 1.00 45.51 H new ATOM 0 HG2 LYS A 29 18.131 -0.586 -24.674 1.00 42.10 H new ATOM 0 HG3 LYS A 29 18.346 1.151 -24.605 1.00 42.10 H new ATOM 0 HD2 LYS A 29 15.989 0.901 -26.059 1.00 42.30 H new ATOM 0 HD3 LYS A 29 15.872 -0.430 -24.925 1.00 42.30 H new ATOM 0 HE2 LYS A 29 14.985 1.216 -23.591 1.00 54.32 H new ATOM 0 HE3 LYS A 29 16.674 1.446 -23.183 1.00 54.32 H new ATOM 0 HZ1 LYS A 29 15.608 3.540 -23.718 1.00 4.25 H new ATOM 0 HZ2 LYS A 29 16.812 3.194 -24.863 1.00 4.25 H new ATOM 0 HZ3 LYS A 29 15.176 2.971 -25.258 1.00 4.25 H new ATOM 474 N ASP A 30 20.946 -0.182 -24.591 1.00 1.30 N ATOM 475 CA ASP A 30 21.770 0.343 -23.508 1.00 51.11 C ATOM 476 C ASP A 30 23.248 0.074 -23.770 1.00 63.35 C ATOM 477 O ASP A 30 24.098 0.330 -22.917 1.00 63.43 O ATOM 478 CB ASP A 30 21.354 -0.280 -22.174 1.00 41.35 C ATOM 479 CG ASP A 30 20.150 0.409 -21.564 1.00 55.52 C ATOM 480 OD1 ASP A 30 19.271 0.859 -22.330 1.00 62.23 O ATOM 481 OD2 ASP A 30 20.085 0.499 -20.321 1.00 34.25 O ATOM 0 H ASP A 30 20.603 -1.130 -24.438 1.00 1.30 H new ATOM 0 HA ASP A 30 21.619 1.421 -23.460 1.00 51.11 H new ATOM 0 HB2 ASP A 30 21.127 -1.336 -22.324 1.00 41.35 H new ATOM 0 HB3 ASP A 30 22.190 -0.230 -21.476 1.00 41.35 H new ATOM 486 N LYS A 31 23.549 -0.445 -24.956 1.00 75.51 N ATOM 487 CA LYS A 31 24.924 -0.750 -25.332 1.00 72.15 C ATOM 488 C LYS A 31 25.705 0.528 -25.620 1.00 2.04 C ATOM 489 O LYS A 31 26.928 0.564 -25.480 1.00 73.40 O ATOM 490 CB LYS A 31 24.948 -1.662 -26.561 1.00 60.11 C ATOM 491 CG LYS A 31 24.214 -2.976 -26.358 1.00 21.33 C ATOM 492 CD LYS A 31 24.942 -3.875 -25.372 1.00 1.20 C ATOM 493 CE LYS A 31 26.155 -4.535 -26.010 1.00 52.20 C ATOM 494 NZ LYS A 31 27.400 -4.275 -25.235 1.00 34.10 N ATOM 0 H LYS A 31 22.858 -0.663 -25.674 1.00 75.51 H new ATOM 0 HA LYS A 31 25.397 -1.264 -24.496 1.00 72.15 H new ATOM 0 HB2 LYS A 31 24.503 -1.133 -27.404 1.00 60.11 H new ATOM 0 HB3 LYS A 31 25.984 -1.872 -26.827 1.00 60.11 H new ATOM 0 HG2 LYS A 31 23.205 -2.778 -25.995 1.00 21.33 H new ATOM 0 HG3 LYS A 31 24.114 -3.489 -27.314 1.00 21.33 H new ATOM 0 HD2 LYS A 31 25.257 -3.289 -24.508 1.00 1.20 H new ATOM 0 HD3 LYS A 31 24.260 -4.642 -25.005 1.00 1.20 H new ATOM 0 HE2 LYS A 31 25.989 -5.610 -26.080 1.00 52.20 H new ATOM 0 HE3 LYS A 31 26.277 -4.164 -27.028 1.00 52.20 H new ATOM 0 HZ1 LYS A 31 28.204 -4.741 -25.702 1.00 34.10 H new ATOM 0 HZ2 LYS A 31 27.573 -3.251 -25.190 1.00 34.10 H new ATOM 0 HZ3 LYS A 31 27.294 -4.651 -24.271 1.00 34.10 H new ATOM 508 N TRP A 32 24.992 1.574 -26.019 1.00 50.54 N ATOM 509 CA TRP A 32 25.620 2.855 -26.324 1.00 55.35 C ATOM 510 C TRP A 32 26.493 3.323 -25.166 1.00 11.33 C ATOM 511 O TRP A 32 27.480 4.031 -25.365 1.00 43.15 O ATOM 512 CB TRP A 32 24.554 3.908 -26.633 1.00 73.05 C ATOM 513 CG TRP A 32 23.798 4.362 -25.421 1.00 61.13 C ATOM 514 CD1 TRP A 32 23.175 3.570 -24.500 1.00 23.45 C ATOM 515 CD2 TRP A 32 23.585 5.714 -25.001 1.00 75.21 C ATOM 516 NE1 TRP A 32 22.587 4.348 -23.532 1.00 23.34 N ATOM 517 CE2 TRP A 32 22.825 5.667 -23.816 1.00 34.51 C ATOM 518 CE3 TRP A 32 23.963 6.959 -25.509 1.00 52.32 C ATOM 519 CZ2 TRP A 32 22.437 6.817 -23.134 1.00 74.04 C ATOM 520 CZ3 TRP A 32 23.577 8.100 -24.832 1.00 13.21 C ATOM 521 CH2 TRP A 32 22.821 8.023 -23.655 1.00 13.05 C ATOM 0 H TRP A 32 23.979 1.561 -26.139 1.00 50.54 H new ATOM 0 HA TRP A 32 26.254 2.721 -27.201 1.00 55.35 H new ATOM 0 HB2 TRP A 32 25.030 4.770 -27.099 1.00 73.05 H new ATOM 0 HB3 TRP A 32 23.851 3.500 -27.359 1.00 73.05 H new ATOM 0 HD1 TRP A 32 23.148 2.491 -24.528 1.00 23.45 H new ATOM 0 HE1 TRP A 32 22.059 4.000 -22.732 1.00 23.34 H new ATOM 0 HE3 TRP A 32 24.547 7.029 -26.415 1.00 52.32 H new ATOM 0 HZ2 TRP A 32 21.854 6.760 -22.227 1.00 74.04 H new ATOM 0 HZ3 TRP A 32 23.863 9.068 -25.217 1.00 13.21 H new ATOM 0 HH2 TRP A 32 22.536 8.933 -23.149 1.00 13.05 H new ATOM 532 N LYS A 33 26.124 2.924 -23.953 1.00 70.24 N ATOM 533 CA LYS A 33 26.875 3.301 -22.762 1.00 34.34 C ATOM 534 C LYS A 33 28.328 2.849 -22.868 1.00 53.23 C ATOM 535 O LYS A 33 29.215 3.428 -22.242 1.00 74.14 O ATOM 536 CB LYS A 33 26.230 2.692 -21.514 1.00 65.42 C ATOM 537 CG LYS A 33 26.286 3.598 -20.297 1.00 22.14 C ATOM 538 CD LYS A 33 25.597 2.966 -19.099 1.00 21.11 C ATOM 539 CE LYS A 33 24.100 3.236 -19.111 1.00 23.14 C ATOM 540 NZ LYS A 33 23.342 2.192 -18.367 1.00 65.41 N ATOM 0 H LYS A 33 25.309 2.339 -23.769 1.00 70.24 H new ATOM 0 HA LYS A 33 26.857 4.388 -22.680 1.00 34.34 H new ATOM 0 HB2 LYS A 33 25.189 2.455 -21.732 1.00 65.42 H new ATOM 0 HB3 LYS A 33 26.729 1.752 -21.280 1.00 65.42 H new ATOM 0 HG2 LYS A 33 27.326 3.812 -20.049 1.00 22.14 H new ATOM 0 HG3 LYS A 33 25.811 4.551 -20.530 1.00 22.14 H new ATOM 0 HD2 LYS A 33 25.774 1.890 -19.102 1.00 21.11 H new ATOM 0 HD3 LYS A 33 26.031 3.358 -18.179 1.00 21.11 H new ATOM 0 HE2 LYS A 33 23.904 4.212 -18.668 1.00 23.14 H new ATOM 0 HE3 LYS A 33 23.747 3.276 -20.141 1.00 23.14 H new ATOM 0 HZ1 LYS A 33 22.326 2.412 -18.398 1.00 65.41 H new ATOM 0 HZ2 LYS A 33 23.509 1.264 -18.805 1.00 65.41 H new ATOM 0 HZ3 LYS A 33 23.661 2.170 -17.377 1.00 65.41 H new ATOM 554 N ASN A 34 28.563 1.813 -23.666 1.00 65.14 N ATOM 555 CA ASN A 34 29.910 1.285 -23.856 1.00 33.34 C ATOM 556 C ASN A 34 30.545 0.923 -22.517 1.00 22.14 C ATOM 557 O ASN A 34 31.769 0.926 -22.378 1.00 13.21 O ATOM 558 CB ASN A 34 30.782 2.306 -24.588 1.00 25.03 C ATOM 559 CG ASN A 34 32.105 1.718 -25.040 1.00 21.32 C ATOM 560 OD1 ASN A 34 33.173 2.230 -24.702 1.00 74.35 O ATOM 561 ND2 ASN A 34 32.040 0.636 -25.808 1.00 13.40 N ATOM 0 H ASN A 34 27.839 1.322 -24.191 1.00 65.14 H new ATOM 0 HA ASN A 34 29.838 0.381 -24.460 1.00 33.34 H new ATOM 0 HB2 ASN A 34 30.241 2.686 -25.455 1.00 25.03 H new ATOM 0 HB3 ASN A 34 30.970 3.156 -23.932 1.00 25.03 H new ATOM 0 HD21 ASN A 34 32.897 0.196 -26.142 1.00 13.40 H new ATOM 0 HD22 ASN A 34 31.133 0.246 -26.063 1.00 13.40 H new ATOM 568 N ILE A 35 29.706 0.611 -21.535 1.00 21.02 N ATOM 569 CA ILE A 35 30.186 0.245 -20.208 1.00 12.21 C ATOM 570 C ILE A 35 29.091 -0.441 -19.397 1.00 44.04 C ATOM 571 O ILE A 35 28.259 -1.164 -19.945 1.00 51.33 O ATOM 572 CB ILE A 35 30.688 1.477 -19.432 1.00 22.24 C ATOM 573 CG1 ILE A 35 31.256 1.055 -18.075 1.00 34.03 C ATOM 574 CG2 ILE A 35 29.563 2.484 -19.251 1.00 53.41 C ATOM 575 CD1 ILE A 35 32.491 1.829 -17.669 1.00 74.32 C ATOM 0 H ILE A 35 28.691 0.604 -21.633 1.00 21.02 H new ATOM 0 HA ILE A 35 31.016 -0.447 -20.352 1.00 12.21 H new ATOM 0 HB ILE A 35 31.484 1.951 -20.007 1.00 22.24 H new ATOM 0 HG12 ILE A 35 30.488 1.186 -17.312 1.00 34.03 H new ATOM 0 HG13 ILE A 35 31.497 -0.008 -18.106 1.00 34.03 H new ATOM 0 HG21 ILE A 35 29.934 3.349 -18.701 1.00 53.41 H new ATOM 0 HG22 ILE A 35 29.200 2.804 -20.228 1.00 53.41 H new ATOM 0 HG23 ILE A 35 28.747 2.022 -18.694 1.00 53.41 H new ATOM 0 HD11 ILE A 35 32.838 1.477 -16.698 1.00 74.32 H new ATOM 0 HD12 ILE A 35 33.275 1.678 -18.411 1.00 74.32 H new ATOM 0 HD13 ILE A 35 32.251 2.890 -17.605 1.00 74.32 H new TER 587 ILE A 35