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+ -169:sc= 0 (180deg=-0.0488) 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= -1.6 K(o=-1.6,f=-2.9!) 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 -3.207 -0.762 -2.350 1.00 2.45 N ATOM 2 CA LYS A 1 -1.828 -1.207 -2.186 1.00 32.14 C ATOM 3 C LYS A 1 -1.622 -2.582 -2.814 1.00 11.31 C ATOM 4 O LYS A 1 -1.667 -3.603 -2.127 1.00 45.24 O ATOM 5 CB LYS A 1 -1.458 -1.253 -0.701 1.00 53.43 C ATOM 6 CG LYS A 1 -1.445 0.113 -0.036 1.00 33.44 C ATOM 7 CD LYS A 1 -2.417 0.174 1.131 1.00 75.44 C ATOM 8 CE LYS A 1 -3.045 1.553 1.262 1.00 43.01 C ATOM 9 NZ LYS A 1 -2.781 2.157 2.597 1.00 11.42 N ATOM 0 H1 LYS A 1 -3.282 0.241 -2.086 1.00 2.45 H new ATOM 0 H2 LYS A 1 -3.495 -0.881 -3.342 1.00 2.45 H new ATOM 0 H3 LYS A 1 -3.829 -1.328 -1.739 1.00 2.45 H new ATOM 0 HA LYS A 1 -1.180 -0.493 -2.694 1.00 32.14 H new ATOM 0 HB2 LYS A 1 -2.166 -1.896 -0.178 1.00 53.43 H new ATOM 0 HB3 LYS A 1 -0.474 -1.710 -0.594 1.00 53.43 H new ATOM 0 HG2 LYS A 1 -0.438 0.338 0.316 1.00 33.44 H new ATOM 0 HG3 LYS A 1 -1.705 0.878 -0.768 1.00 33.44 H new ATOM 0 HD2 LYS A 1 -3.200 -0.572 0.993 1.00 75.44 H new ATOM 0 HD3 LYS A 1 -1.895 -0.078 2.054 1.00 75.44 H new ATOM 0 HE2 LYS A 1 -2.652 2.207 0.483 1.00 43.01 H new ATOM 0 HE3 LYS A 1 -4.121 1.479 1.103 1.00 43.01 H new ATOM 0 HZ1 LYS A 1 -3.225 3.096 2.647 1.00 11.42 H new ATOM 0 HZ2 LYS A 1 -3.178 1.546 3.339 1.00 11.42 H new ATOM 0 HZ3 LYS A 1 -1.755 2.251 2.739 1.00 11.42 H new ATOM 23 N LYS A 2 -1.395 -2.601 -4.123 1.00 13.30 N ATOM 24 CA LYS A 2 -1.179 -3.849 -4.844 1.00 73.35 C ATOM 25 C LYS A 2 0.138 -4.497 -4.429 1.00 34.13 C ATOM 26 O LYS A 2 0.202 -5.706 -4.207 1.00 22.31 O ATOM 27 CB LYS A 2 -1.182 -3.597 -6.354 1.00 5.01 C ATOM 28 CG LYS A 2 -2.410 -2.851 -6.844 1.00 14.10 C ATOM 29 CD LYS A 2 -2.100 -1.390 -7.127 1.00 34.54 C ATOM 30 CE LYS A 2 -3.211 -0.478 -6.629 1.00 74.52 C ATOM 31 NZ LYS A 2 -2.734 0.918 -6.427 1.00 31.53 N ATOM 0 H LYS A 2 -1.356 -1.765 -4.706 1.00 13.30 H new ATOM 0 HA LYS A 2 -1.993 -4.529 -4.593 1.00 73.35 H new ATOM 0 HB2 LYS A 2 -0.291 -3.028 -6.621 1.00 5.01 H new ATOM 0 HB3 LYS A 2 -1.117 -4.553 -6.873 1.00 5.01 H new ATOM 0 HG2 LYS A 2 -2.788 -3.326 -7.750 1.00 14.10 H new ATOM 0 HG3 LYS A 2 -3.200 -2.918 -6.096 1.00 14.10 H new ATOM 0 HD2 LYS A 2 -1.161 -1.117 -6.647 1.00 34.54 H new ATOM 0 HD3 LYS A 2 -1.963 -1.247 -8.199 1.00 34.54 H new ATOM 0 HE2 LYS A 2 -4.032 -0.481 -7.346 1.00 74.52 H new ATOM 0 HE3 LYS A 2 -3.606 -0.866 -5.690 1.00 74.52 H new ATOM 0 HZ1 LYS A 2 -3.520 1.508 -6.087 1.00 31.53 H new ATOM 0 HZ2 LYS A 2 -1.968 0.925 -5.724 1.00 31.53 H new ATOM 0 HZ3 LYS A 2 -2.380 1.298 -7.328 1.00 31.53 H new ATOM 45 N TRP A 3 1.183 -3.686 -4.324 1.00 5.52 N ATOM 46 CA TRP A 3 2.499 -4.180 -3.933 1.00 34.51 C ATOM 47 C TRP A 3 2.964 -5.289 -4.870 1.00 73.24 C ATOM 48 O TRP A 3 3.371 -6.361 -4.425 1.00 62.22 O ATOM 49 CB TRP A 3 2.465 -4.694 -2.492 1.00 64.15 C ATOM 50 CG TRP A 3 2.452 -3.597 -1.471 1.00 31.40 C ATOM 51 CD1 TRP A 3 3.006 -2.355 -1.595 1.00 23.45 C ATOM 52 CD2 TRP A 3 1.856 -3.645 -0.170 1.00 21.40 C ATOM 53 NE1 TRP A 3 2.791 -1.628 -0.449 1.00 20.44 N ATOM 54 CE2 TRP A 3 2.087 -2.397 0.440 1.00 10.12 C ATOM 55 CE3 TRP A 3 1.148 -4.620 0.538 1.00 24.40 C ATOM 56 CZ2 TRP A 3 1.636 -2.101 1.724 1.00 71.51 C ATOM 57 CZ3 TRP A 3 0.702 -4.326 1.812 1.00 13.30 C ATOM 58 CH2 TRP A 3 0.946 -3.075 2.394 1.00 11.32 C ATOM 0 H TRP A 3 1.146 -2.683 -4.504 1.00 5.52 H new ATOM 0 HA TRP A 3 3.206 -3.353 -4.000 1.00 34.51 H new ATOM 0 HB2 TRP A 3 1.581 -5.317 -2.357 1.00 64.15 H new ATOM 0 HB3 TRP A 3 3.333 -5.330 -2.320 1.00 64.15 H new ATOM 0 HD1 TRP A 3 3.535 -1.997 -2.466 1.00 23.45 H new ATOM 0 HE1 TRP A 3 3.105 -0.671 -0.286 1.00 20.44 H new ATOM 0 HE3 TRP A 3 0.953 -5.586 0.097 1.00 24.40 H new ATOM 0 HZ2 TRP A 3 1.824 -1.138 2.175 1.00 71.51 H new ATOM 0 HZ3 TRP A 3 0.156 -5.073 2.369 1.00 13.30 H new ATOM 0 HH2 TRP A 3 0.582 -2.875 3.391 1.00 11.32 H new ATOM 69 N GLY A 4 2.900 -5.024 -6.172 1.00 3.32 N ATOM 70 CA GLY A 4 3.319 -6.009 -7.151 1.00 74.52 C ATOM 71 C GLY A 4 4.773 -5.852 -7.548 1.00 0.21 C ATOM 72 O GLY A 4 5.200 -6.364 -8.583 1.00 12.51 O ATOM 0 H GLY A 4 2.565 -4.144 -6.565 1.00 3.32 H new ATOM 0 HA2 GLY A 4 3.163 -7.009 -6.746 1.00 74.52 H new ATOM 0 HA3 GLY A 4 2.692 -5.923 -8.039 1.00 74.52 H new ATOM 76 N TRP A 5 5.535 -5.141 -6.725 1.00 0.13 N ATOM 77 CA TRP A 5 6.950 -4.916 -6.996 1.00 43.25 C ATOM 78 C TRP A 5 7.782 -6.128 -6.592 1.00 72.13 C ATOM 79 O TRP A 5 8.474 -6.723 -7.420 1.00 13.31 O ATOM 80 CB TRP A 5 7.442 -3.673 -6.252 1.00 62.32 C ATOM 81 CG TRP A 5 6.611 -2.455 -6.516 1.00 55.31 C ATOM 82 CD1 TRP A 5 5.800 -2.233 -7.593 1.00 32.05 C ATOM 83 CD2 TRP A 5 6.510 -1.290 -5.689 1.00 61.31 C ATOM 84 NE1 TRP A 5 5.202 -1.001 -7.485 1.00 15.24 N ATOM 85 CE2 TRP A 5 5.620 -0.403 -6.325 1.00 41.14 C ATOM 86 CE3 TRP A 5 7.084 -0.912 -4.472 1.00 54.44 C ATOM 87 CZ2 TRP A 5 5.293 0.838 -5.785 1.00 63.11 C ATOM 88 CZ3 TRP A 5 6.758 0.320 -3.938 1.00 4.44 C ATOM 89 CH2 TRP A 5 5.869 1.183 -4.593 1.00 25.02 C ATOM 0 H TRP A 5 5.197 -4.710 -5.864 1.00 0.13 H new ATOM 0 HA TRP A 5 7.068 -4.759 -8.068 1.00 43.25 H new ATOM 0 HB2 TRP A 5 7.445 -3.877 -5.181 1.00 62.32 H new ATOM 0 HB3 TRP A 5 8.473 -3.470 -6.541 1.00 62.32 H new ATOM 0 HD1 TRP A 5 5.651 -2.924 -8.409 1.00 32.05 H new ATOM 0 HE1 TRP A 5 4.552 -0.597 -8.159 1.00 15.24 H new ATOM 0 HE3 TRP A 5 7.769 -1.570 -3.959 1.00 54.44 H new ATOM 0 HZ2 TRP A 5 4.609 1.505 -6.289 1.00 63.11 H new ATOM 0 HZ3 TRP A 5 7.196 0.623 -2.999 1.00 4.44 H new ATOM 0 HH2 TRP A 5 5.634 2.139 -4.148 1.00 25.02 H new ATOM 100 N LEU A 6 7.710 -6.490 -5.316 1.00 61.42 N ATOM 101 CA LEU A 6 8.457 -7.633 -4.802 1.00 72.43 C ATOM 102 C LEU A 6 7.921 -8.939 -5.382 1.00 45.21 C ATOM 103 O LEU A 6 8.646 -9.928 -5.482 1.00 21.41 O ATOM 104 CB LEU A 6 8.382 -7.672 -3.275 1.00 15.20 C ATOM 105 CG LEU A 6 6.980 -7.584 -2.670 1.00 21.14 C ATOM 106 CD1 LEU A 6 6.750 -8.723 -1.688 1.00 44.11 C ATOM 107 CD2 LEU A 6 6.778 -6.240 -1.986 1.00 55.42 C ATOM 0 H LEU A 6 7.142 -6.009 -4.618 1.00 61.42 H new ATOM 0 HA LEU A 6 9.498 -7.521 -5.106 1.00 72.43 H new ATOM 0 HB2 LEU A 6 8.847 -8.596 -2.932 1.00 15.20 H new ATOM 0 HB3 LEU A 6 8.979 -6.849 -2.881 1.00 15.20 H new ATOM 0 HG LEU A 6 6.251 -7.673 -3.476 1.00 21.14 H new ATOM 0 HD11 LEU A 6 5.747 -8.644 -1.268 1.00 44.11 H new ATOM 0 HD12 LEU A 6 6.852 -9.676 -2.206 1.00 44.11 H new ATOM 0 HD13 LEU A 6 7.485 -8.666 -0.886 1.00 44.11 H new ATOM 0 HD21 LEU A 6 5.775 -6.195 -1.561 1.00 55.42 H new ATOM 0 HD22 LEU A 6 7.514 -6.122 -1.191 1.00 55.42 H new ATOM 0 HD23 LEU A 6 6.900 -5.439 -2.715 1.00 55.42 H new ATOM 119 N ALA A 7 6.649 -8.932 -5.765 1.00 32.30 N ATOM 120 CA ALA A 7 6.018 -10.114 -6.339 1.00 33.20 C ATOM 121 C ALA A 7 6.589 -10.426 -7.718 1.00 73.31 C ATOM 122 O ALA A 7 6.634 -11.584 -8.134 1.00 23.14 O ATOM 123 CB ALA A 7 4.511 -9.921 -6.421 1.00 12.41 C ATOM 0 H ALA A 7 6.035 -8.121 -5.688 1.00 32.30 H new ATOM 0 HA ALA A 7 6.230 -10.961 -5.687 1.00 33.20 H new ATOM 0 HB1 ALA A 7 4.053 -10.811 -6.852 1.00 12.41 H new ATOM 0 HB2 ALA A 7 4.111 -9.754 -5.421 1.00 12.41 H new ATOM 0 HB3 ALA A 7 4.288 -9.059 -7.049 1.00 12.41 H new ATOM 129 N TRP A 8 7.022 -9.387 -8.423 1.00 31.24 N ATOM 130 CA TRP A 8 7.589 -9.551 -9.756 1.00 64.41 C ATOM 131 C TRP A 8 9.098 -9.763 -9.684 1.00 13.43 C ATOM 132 O TRP A 8 9.686 -10.409 -10.550 1.00 61.33 O ATOM 133 CB TRP A 8 7.274 -8.330 -10.621 1.00 0.11 C ATOM 134 CG TRP A 8 5.884 -8.341 -11.180 1.00 75.02 C ATOM 135 CD1 TRP A 8 4.760 -8.825 -10.573 1.00 70.44 C ATOM 136 CD2 TRP A 8 5.470 -7.847 -12.459 1.00 22.21 C ATOM 137 NE1 TRP A 8 3.673 -8.662 -11.398 1.00 30.30 N ATOM 138 CE2 TRP A 8 4.082 -8.064 -12.560 1.00 50.22 C ATOM 139 CE3 TRP A 8 6.137 -7.241 -13.527 1.00 71.31 C ATOM 140 CZ2 TRP A 8 3.352 -7.697 -13.687 1.00 50.45 C ATOM 141 CZ3 TRP A 8 5.411 -6.878 -14.645 1.00 40.33 C ATOM 142 CH2 TRP A 8 4.030 -7.105 -14.718 1.00 63.44 C ATOM 0 H TRP A 8 6.991 -8.422 -8.094 1.00 31.24 H new ATOM 0 HA TRP A 8 7.138 -10.434 -10.209 1.00 64.41 H new ATOM 0 HB2 TRP A 8 7.412 -7.427 -10.026 1.00 0.11 H new ATOM 0 HB3 TRP A 8 7.988 -8.282 -11.443 1.00 0.11 H new ATOM 0 HD1 TRP A 8 4.730 -9.270 -9.590 1.00 70.44 H new ATOM 0 HE1 TRP A 8 2.716 -8.941 -11.180 1.00 30.30 H new ATOM 0 HE3 TRP A 8 7.201 -7.060 -13.479 1.00 71.31 H new ATOM 0 HZ2 TRP A 8 2.288 -7.873 -13.746 1.00 50.45 H new ATOM 0 HZ3 TRP A 8 5.917 -6.411 -15.477 1.00 40.33 H new ATOM 0 HH2 TRP A 8 3.490 -6.807 -15.605 1.00 63.44 H new ATOM 153 N VAL A 9 9.719 -9.214 -8.645 1.00 13.55 N ATOM 154 CA VAL A 9 11.159 -9.343 -8.459 1.00 30.43 C ATOM 155 C VAL A 9 11.516 -10.698 -7.857 1.00 75.23 C ATOM 156 O VAL A 9 12.626 -11.197 -8.041 1.00 32.52 O ATOM 157 CB VAL A 9 11.710 -8.229 -7.549 1.00 63.23 C ATOM 158 CG1 VAL A 9 13.210 -8.392 -7.354 1.00 31.43 C ATOM 159 CG2 VAL A 9 11.386 -6.860 -8.128 1.00 34.31 C ATOM 0 H VAL A 9 9.247 -8.675 -7.919 1.00 13.55 H new ATOM 0 HA VAL A 9 11.614 -9.255 -9.445 1.00 30.43 H new ATOM 0 HB VAL A 9 11.230 -8.309 -6.574 1.00 63.23 H new ATOM 0 HG11 VAL A 9 13.582 -7.596 -6.709 1.00 31.43 H new ATOM 0 HG12 VAL A 9 13.414 -9.358 -6.893 1.00 31.43 H new ATOM 0 HG13 VAL A 9 13.711 -8.338 -8.321 1.00 31.43 H new ATOM 0 HG21 VAL A 9 11.783 -6.085 -7.473 1.00 34.31 H new ATOM 0 HG22 VAL A 9 11.838 -6.766 -9.116 1.00 34.31 H new ATOM 0 HG23 VAL A 9 10.305 -6.747 -8.211 1.00 34.31 H new ATOM 169 N ASP A 10 10.567 -11.288 -7.139 1.00 33.31 N ATOM 170 CA ASP A 10 10.780 -12.587 -6.511 1.00 74.20 C ATOM 171 C ASP A 10 11.232 -13.620 -7.539 1.00 11.03 C ATOM 172 O ASP A 10 12.316 -14.195 -7.441 1.00 43.14 O ATOM 173 CB ASP A 10 9.498 -13.061 -5.823 1.00 64.22 C ATOM 174 CG ASP A 10 9.587 -12.977 -4.312 1.00 43.11 C ATOM 175 OD1 ASP A 10 9.414 -11.866 -3.768 1.00 75.02 O ATOM 176 OD2 ASP A 10 9.830 -14.022 -3.673 1.00 73.03 O ATOM 0 H ASP A 10 9.643 -10.888 -6.977 1.00 33.31 H new ATOM 0 HA ASP A 10 11.565 -12.477 -5.763 1.00 74.20 H new ATOM 0 HB2 ASP A 10 8.659 -12.457 -6.169 1.00 64.22 H new ATOM 0 HB3 ASP A 10 9.292 -14.091 -6.115 1.00 64.22 H new ATOM 181 N PRO A 11 10.382 -13.863 -8.547 1.00 71.14 N ATOM 182 CA PRO A 11 10.672 -14.828 -9.612 1.00 44.22 C ATOM 183 C PRO A 11 11.788 -14.352 -10.537 1.00 33.31 C ATOM 184 O PRO A 11 12.438 -15.156 -11.205 1.00 10.33 O ATOM 185 CB PRO A 11 9.349 -14.923 -10.376 1.00 10.35 C ATOM 186 CG PRO A 11 8.668 -13.623 -10.116 1.00 31.52 C ATOM 187 CD PRO A 11 9.072 -13.214 -8.726 1.00 61.54 C ATOM 0 HA PRO A 11 11.019 -15.782 -9.214 1.00 44.22 H new ATOM 0 HB2 PRO A 11 9.517 -15.076 -11.442 1.00 10.35 H new ATOM 0 HB3 PRO A 11 8.748 -15.762 -10.025 1.00 10.35 H new ATOM 0 HG2 PRO A 11 8.969 -12.872 -10.847 1.00 31.52 H new ATOM 0 HG3 PRO A 11 7.586 -13.727 -10.193 1.00 31.52 H new ATOM 0 HD2 PRO A 11 9.144 -12.131 -8.631 1.00 61.54 H new ATOM 0 HD3 PRO A 11 8.351 -13.552 -7.982 1.00 61.54 H new ATOM 195 N ALA A 12 12.004 -13.041 -10.570 1.00 72.43 N ATOM 196 CA ALA A 12 13.042 -12.460 -11.411 1.00 45.43 C ATOM 197 C ALA A 12 14.430 -12.740 -10.844 1.00 33.33 C ATOM 198 O ALA A 12 15.311 -13.234 -11.548 1.00 11.11 O ATOM 199 CB ALA A 12 12.824 -10.961 -11.559 1.00 70.12 C ATOM 0 H ALA A 12 11.474 -12.362 -10.024 1.00 72.43 H new ATOM 0 HA ALA A 12 12.979 -12.925 -12.395 1.00 45.43 H new ATOM 0 HB1 ALA A 12 13.607 -10.540 -12.190 1.00 70.12 H new ATOM 0 HB2 ALA A 12 11.852 -10.778 -12.017 1.00 70.12 H new ATOM 0 HB3 ALA A 12 12.857 -10.490 -10.577 1.00 70.12 H new ATOM 205 N TYR A 13 14.617 -12.422 -9.568 1.00 21.43 N ATOM 206 CA TYR A 13 15.899 -12.638 -8.907 1.00 13.34 C ATOM 207 C TYR A 13 16.271 -14.117 -8.909 1.00 62.20 C ATOM 208 O TYR A 13 17.378 -14.489 -9.298 1.00 52.52 O ATOM 209 CB TYR A 13 15.849 -12.115 -7.470 1.00 24.11 C ATOM 210 CG TYR A 13 17.167 -11.556 -6.983 1.00 42.14 C ATOM 211 CD1 TYR A 13 18.328 -12.319 -7.030 1.00 54.02 C ATOM 212 CD2 TYR A 13 17.252 -10.265 -6.476 1.00 62.32 C ATOM 213 CE1 TYR A 13 19.534 -11.813 -6.586 1.00 51.32 C ATOM 214 CE2 TYR A 13 18.454 -9.750 -6.031 1.00 63.34 C ATOM 215 CZ TYR A 13 19.592 -10.528 -6.088 1.00 42.22 C ATOM 216 OH TYR A 13 20.791 -10.019 -5.645 1.00 3.22 O ATOM 0 H TYR A 13 13.898 -12.014 -8.971 1.00 21.43 H new ATOM 0 HA TYR A 13 16.662 -12.090 -9.460 1.00 13.34 H new ATOM 0 HB2 TYR A 13 15.087 -11.339 -7.401 1.00 24.11 H new ATOM 0 HB3 TYR A 13 15.540 -12.924 -6.808 1.00 24.11 H new ATOM 0 HD1 TYR A 13 18.286 -13.325 -7.421 1.00 54.02 H new ATOM 0 HD2 TYR A 13 16.363 -9.654 -6.429 1.00 62.32 H new ATOM 0 HE1 TYR A 13 20.426 -12.420 -6.628 1.00 51.32 H new ATOM 0 HE2 TYR A 13 18.503 -8.744 -5.641 1.00 63.34 H new ATOM 0 HH TYR A 13 20.659 -9.102 -5.327 1.00 3.22 H new ATOM 226 N GLU A 14 15.338 -14.957 -8.472 1.00 15.51 N ATOM 227 CA GLU A 14 15.567 -16.396 -8.423 1.00 44.43 C ATOM 228 C GLU A 14 15.955 -16.931 -9.799 1.00 33.54 C ATOM 229 O GLU A 14 16.679 -17.921 -9.910 1.00 52.03 O ATOM 230 CB GLU A 14 14.317 -17.117 -7.916 1.00 60.43 C ATOM 231 CG GLU A 14 13.195 -17.183 -8.939 1.00 1.51 C ATOM 232 CD GLU A 14 11.981 -17.933 -8.426 1.00 43.01 C ATOM 233 OE1 GLU A 14 11.357 -17.457 -7.455 1.00 22.25 O ATOM 234 OE2 GLU A 14 11.656 -18.995 -8.996 1.00 33.44 O ATOM 0 H GLU A 14 14.416 -14.665 -8.147 1.00 15.51 H new ATOM 0 HA GLU A 14 16.390 -16.585 -7.733 1.00 44.43 H new ATOM 0 HB2 GLU A 14 14.587 -18.131 -7.620 1.00 60.43 H new ATOM 0 HB3 GLU A 14 13.953 -16.610 -7.022 1.00 60.43 H new ATOM 0 HG2 GLU A 14 12.901 -16.171 -9.216 1.00 1.51 H new ATOM 0 HG3 GLU A 14 13.561 -17.668 -9.844 1.00 1.51 H new ATOM 241 N PHE A 15 15.467 -16.271 -10.843 1.00 74.14 N ATOM 242 CA PHE A 15 15.760 -16.681 -12.212 1.00 14.12 C ATOM 243 C PHE A 15 17.229 -16.441 -12.549 1.00 35.54 C ATOM 244 O PHE A 15 17.865 -17.260 -13.213 1.00 2.22 O ATOM 245 CB PHE A 15 14.869 -15.921 -13.196 1.00 54.33 C ATOM 246 CG PHE A 15 13.965 -16.813 -13.999 1.00 13.44 C ATOM 247 CD1 PHE A 15 12.863 -17.414 -13.411 1.00 44.11 C ATOM 248 CD2 PHE A 15 14.217 -17.050 -15.340 1.00 72.12 C ATOM 249 CE1 PHE A 15 12.029 -18.235 -14.147 1.00 4.15 C ATOM 250 CE2 PHE A 15 13.386 -17.870 -16.081 1.00 2.33 C ATOM 251 CZ PHE A 15 12.292 -18.464 -15.483 1.00 11.21 C ATOM 0 H PHE A 15 14.867 -15.450 -10.768 1.00 74.14 H new ATOM 0 HA PHE A 15 15.555 -17.748 -12.297 1.00 14.12 H new ATOM 0 HB2 PHE A 15 14.262 -15.204 -12.644 1.00 54.33 H new ATOM 0 HB3 PHE A 15 15.499 -15.348 -13.877 1.00 54.33 H new ATOM 0 HD1 PHE A 15 12.654 -17.239 -12.366 1.00 44.11 H new ATOM 0 HD2 PHE A 15 15.072 -16.589 -15.812 1.00 72.12 H new ATOM 0 HE1 PHE A 15 11.173 -18.697 -13.678 1.00 4.15 H new ATOM 0 HE2 PHE A 15 13.592 -18.046 -17.126 1.00 2.33 H new ATOM 0 HZ PHE A 15 11.643 -19.107 -16.059 1.00 11.21 H new ATOM 261 N ILE A 16 17.759 -15.315 -12.086 1.00 41.41 N ATOM 262 CA ILE A 16 19.152 -14.967 -12.337 1.00 63.34 C ATOM 263 C ILE A 16 20.095 -15.987 -11.708 1.00 62.43 C ATOM 264 O ILE A 16 21.224 -16.171 -12.165 1.00 75.33 O ATOM 265 CB ILE A 16 19.491 -13.567 -11.792 1.00 32.41 C ATOM 266 CG1 ILE A 16 18.556 -12.519 -12.400 1.00 64.53 C ATOM 267 CG2 ILE A 16 20.944 -13.222 -12.083 1.00 74.43 C ATOM 268 CD1 ILE A 16 18.607 -12.469 -13.911 1.00 72.42 C ATOM 0 H ILE A 16 17.245 -14.628 -11.535 1.00 41.41 H new ATOM 0 HA ILE A 16 19.287 -14.969 -13.419 1.00 63.34 H new ATOM 0 HB ILE A 16 19.349 -13.570 -10.711 1.00 32.41 H new ATOM 0 HG12 ILE A 16 17.534 -12.730 -12.086 1.00 64.53 H new ATOM 0 HG13 ILE A 16 18.816 -11.538 -12.003 1.00 64.53 H new ATOM 0 HG21 ILE A 16 21.168 -12.230 -11.692 1.00 74.43 H new ATOM 0 HG22 ILE A 16 21.595 -13.955 -11.606 1.00 74.43 H new ATOM 0 HG23 ILE A 16 21.112 -13.234 -13.160 1.00 74.43 H new ATOM 0 HD11 ILE A 16 17.920 -11.704 -14.273 1.00 72.42 H new ATOM 0 HD12 ILE A 16 19.620 -12.228 -14.233 1.00 72.42 H new ATOM 0 HD13 ILE A 16 18.318 -13.438 -14.317 1.00 72.42 H new ATOM 280 N LYS A 17 19.625 -16.650 -10.657 1.00 74.33 N ATOM 281 CA LYS A 17 20.423 -17.655 -9.966 1.00 23.23 C ATOM 282 C LYS A 17 20.739 -18.829 -10.888 1.00 12.42 C ATOM 283 O LYS A 17 21.757 -19.500 -10.728 1.00 44.31 O ATOM 284 CB LYS A 17 19.686 -18.155 -8.721 1.00 53.33 C ATOM 285 CG LYS A 17 19.425 -17.069 -7.692 1.00 51.30 C ATOM 286 CD LYS A 17 20.664 -16.779 -6.861 1.00 54.21 C ATOM 287 CE LYS A 17 20.300 -16.197 -5.503 1.00 64.34 C ATOM 288 NZ LYS A 17 20.061 -17.262 -4.490 1.00 55.12 N ATOM 0 H LYS A 17 18.694 -16.509 -10.265 1.00 74.33 H new ATOM 0 HA LYS A 17 21.362 -17.191 -9.663 1.00 23.23 H new ATOM 0 HB2 LYS A 17 18.735 -18.593 -9.024 1.00 53.33 H new ATOM 0 HB3 LYS A 17 20.270 -18.950 -8.258 1.00 53.33 H new ATOM 0 HG2 LYS A 17 19.103 -16.158 -8.197 1.00 51.30 H new ATOM 0 HG3 LYS A 17 18.610 -17.376 -7.037 1.00 51.30 H new ATOM 0 HD2 LYS A 17 21.234 -17.698 -6.723 1.00 54.21 H new ATOM 0 HD3 LYS A 17 21.308 -16.081 -7.397 1.00 54.21 H new ATOM 0 HE2 LYS A 17 21.103 -15.544 -5.161 1.00 64.34 H new ATOM 0 HE3 LYS A 17 19.406 -15.580 -5.600 1.00 64.34 H new ATOM 0 HZ1 LYS A 17 19.816 -16.825 -3.579 1.00 55.12 H new ATOM 0 HZ2 LYS A 17 19.278 -17.871 -4.804 1.00 55.12 H new ATOM 0 HZ3 LYS A 17 20.922 -17.835 -4.379 1.00 55.12 H new ATOM 302 N GLY A 18 19.858 -19.069 -11.854 1.00 61.55 N ATOM 303 CA GLY A 18 20.062 -20.161 -12.789 1.00 31.35 C ATOM 304 C GLY A 18 20.835 -19.734 -14.021 1.00 15.35 C ATOM 305 O GLY A 18 21.500 -20.549 -14.659 1.00 75.54 O ATOM 0 H GLY A 18 19.007 -18.527 -12.006 1.00 61.55 H new ATOM 0 HA2 GLY A 18 20.598 -20.968 -12.289 1.00 31.35 H new ATOM 0 HA3 GLY A 18 19.094 -20.561 -13.092 1.00 31.35 H new ATOM 309 N PHE A 19 20.746 -18.451 -14.357 1.00 23.12 N ATOM 310 CA PHE A 19 21.441 -17.917 -15.523 1.00 13.25 C ATOM 311 C PHE A 19 22.912 -17.663 -15.210 1.00 4.42 C ATOM 312 O PHE A 19 23.762 -17.696 -16.099 1.00 0.31 O ATOM 313 CB PHE A 19 20.775 -16.620 -15.989 1.00 25.20 C ATOM 314 CG PHE A 19 20.548 -16.563 -17.473 1.00 24.14 C ATOM 315 CD1 PHE A 19 19.493 -17.249 -18.052 1.00 65.13 C ATOM 316 CD2 PHE A 19 21.390 -15.824 -18.288 1.00 4.44 C ATOM 317 CE1 PHE A 19 19.281 -17.198 -19.417 1.00 64.33 C ATOM 318 CE2 PHE A 19 21.183 -15.769 -19.653 1.00 1.31 C ATOM 319 CZ PHE A 19 20.128 -16.458 -20.219 1.00 1.14 C ATOM 0 H PHE A 19 20.200 -17.762 -13.839 1.00 23.12 H new ATOM 0 HA PHE A 19 21.381 -18.656 -16.322 1.00 13.25 H new ATOM 0 HB2 PHE A 19 19.818 -16.508 -15.478 1.00 25.20 H new ATOM 0 HB3 PHE A 19 21.396 -15.775 -15.692 1.00 25.20 H new ATOM 0 HD1 PHE A 19 18.829 -17.830 -17.430 1.00 65.13 H new ATOM 0 HD2 PHE A 19 22.218 -15.285 -17.851 1.00 4.44 H new ATOM 0 HE1 PHE A 19 18.454 -17.736 -19.856 1.00 64.33 H new ATOM 0 HE2 PHE A 19 21.846 -15.188 -20.277 1.00 1.31 H new ATOM 0 HZ PHE A 19 19.966 -16.418 -21.286 1.00 1.14 H new ATOM 329 N GLY A 20 23.206 -17.408 -13.938 1.00 72.10 N ATOM 330 CA GLY A 20 24.574 -17.151 -13.530 1.00 24.14 C ATOM 331 C GLY A 20 25.188 -18.322 -12.787 1.00 75.05 C ATOM 332 O GLY A 20 26.020 -18.137 -11.900 1.00 24.22 O ATOM 0 H GLY A 20 22.521 -17.375 -13.183 1.00 72.10 H new ATOM 0 HA2 GLY A 20 25.176 -16.927 -14.410 1.00 24.14 H new ATOM 0 HA3 GLY A 20 24.600 -16.267 -12.893 1.00 24.14 H new ATOM 336 N LYS A 21 24.774 -19.532 -13.150 1.00 3.23 N ATOM 337 CA LYS A 21 25.287 -20.739 -12.512 1.00 44.34 C ATOM 338 C LYS A 21 26.792 -20.869 -12.726 1.00 61.20 C ATOM 339 O LYS A 21 27.468 -21.611 -12.014 1.00 72.14 O ATOM 340 CB LYS A 21 24.574 -21.975 -13.065 1.00 40.31 C ATOM 341 CG LYS A 21 25.117 -22.443 -14.404 1.00 43.41 C ATOM 342 CD LYS A 21 24.887 -21.407 -15.492 1.00 21.01 C ATOM 343 CE LYS A 21 24.848 -22.047 -16.871 1.00 51.12 C ATOM 344 NZ LYS A 21 26.027 -21.662 -17.695 1.00 2.00 N ATOM 0 H LYS A 21 24.085 -19.702 -13.882 1.00 3.23 H new ATOM 0 HA LYS A 21 25.095 -20.665 -11.442 1.00 44.34 H new ATOM 0 HB2 LYS A 21 24.661 -22.787 -12.343 1.00 40.31 H new ATOM 0 HB3 LYS A 21 23.512 -21.754 -13.170 1.00 40.31 H new ATOM 0 HG2 LYS A 21 26.184 -22.647 -14.314 1.00 43.41 H new ATOM 0 HG3 LYS A 21 24.636 -23.380 -14.685 1.00 43.41 H new ATOM 0 HD2 LYS A 21 23.949 -20.884 -15.306 1.00 21.01 H new ATOM 0 HD3 LYS A 21 25.680 -20.660 -15.458 1.00 21.01 H new ATOM 0 HE2 LYS A 21 24.816 -23.132 -16.767 1.00 51.12 H new ATOM 0 HE3 LYS A 21 23.934 -21.749 -17.384 1.00 51.12 H new ATOM 0 HZ1 LYS A 21 25.963 -22.119 -18.627 1.00 2.00 H new ATOM 0 HZ2 LYS A 21 26.044 -20.629 -17.816 1.00 2.00 H new ATOM 0 HZ3 LYS A 21 26.899 -21.969 -17.218 1.00 2.00 H new ATOM 358 N GLY A 22 27.311 -20.142 -13.711 1.00 10.44 N ATOM 359 CA GLY A 22 28.732 -20.190 -13.999 1.00 5.32 C ATOM 360 C GLY A 22 29.110 -19.344 -15.199 1.00 33.11 C ATOM 361 O GLY A 22 29.890 -19.773 -16.048 1.00 42.11 O ATOM 0 H GLY A 22 26.772 -19.521 -14.314 1.00 10.44 H new ATOM 0 HA2 GLY A 22 29.288 -19.846 -13.127 1.00 5.32 H new ATOM 0 HA3 GLY A 22 29.028 -21.223 -14.179 1.00 5.32 H new ATOM 365 N ALA A 23 28.553 -18.139 -15.271 1.00 31.44 N ATOM 366 CA ALA A 23 28.836 -17.232 -16.375 1.00 54.43 C ATOM 367 C ALA A 23 28.489 -15.793 -16.006 1.00 61.23 C ATOM 368 O ALA A 23 27.354 -15.352 -16.188 1.00 33.44 O ATOM 369 CB ALA A 23 28.070 -17.659 -17.619 1.00 14.33 C ATOM 0 H ALA A 23 27.903 -17.769 -14.577 1.00 31.44 H new ATOM 0 HA ALA A 23 29.904 -17.278 -16.586 1.00 54.43 H new ATOM 0 HB1 ALA A 23 28.291 -16.972 -18.436 1.00 14.33 H new ATOM 0 HB2 ALA A 23 28.369 -18.668 -17.902 1.00 14.33 H new ATOM 0 HB3 ALA A 23 27.000 -17.643 -17.411 1.00 14.33 H new ATOM 375 N ILE A 24 29.473 -15.067 -15.488 1.00 5.13 N ATOM 376 CA ILE A 24 29.272 -13.678 -15.094 1.00 33.12 C ATOM 377 C ILE A 24 29.320 -12.751 -16.304 1.00 1.05 C ATOM 378 O ILE A 24 28.753 -11.658 -16.286 1.00 34.51 O ATOM 379 CB ILE A 24 30.329 -13.224 -14.070 1.00 42.14 C ATOM 380 CG1 ILE A 24 30.297 -14.127 -12.836 1.00 32.22 C ATOM 381 CG2 ILE A 24 30.097 -11.772 -13.678 1.00 20.54 C ATOM 382 CD1 ILE A 24 28.950 -14.163 -12.149 1.00 32.34 C ATOM 0 H ILE A 24 30.418 -15.417 -15.331 1.00 5.13 H new ATOM 0 HA ILE A 24 28.285 -13.620 -14.634 1.00 33.12 H new ATOM 0 HB ILE A 24 31.315 -13.303 -14.528 1.00 42.14 H new ATOM 0 HG12 ILE A 24 30.573 -15.140 -13.129 1.00 32.22 H new ATOM 0 HG13 ILE A 24 31.049 -13.785 -12.125 1.00 32.22 H new ATOM 0 HG21 ILE A 24 30.852 -11.466 -12.954 1.00 20.54 H new ATOM 0 HG22 ILE A 24 30.166 -11.140 -14.564 1.00 20.54 H new ATOM 0 HG23 ILE A 24 29.106 -11.668 -13.235 1.00 20.54 H new ATOM 0 HD11 ILE A 24 29.001 -14.823 -11.283 1.00 32.34 H new ATOM 0 HD12 ILE A 24 28.680 -13.158 -11.824 1.00 32.34 H new ATOM 0 HD13 ILE A 24 28.197 -14.534 -12.844 1.00 32.34 H new ATOM 394 N LYS A 25 30.000 -13.195 -17.355 1.00 44.41 N ATOM 395 CA LYS A 25 30.121 -12.407 -18.576 1.00 63.34 C ATOM 396 C LYS A 25 28.792 -12.353 -19.323 1.00 22.42 C ATOM 397 O LYS A 25 28.437 -11.327 -19.901 1.00 74.21 O ATOM 398 CB LYS A 25 31.204 -12.997 -19.483 1.00 31.41 C ATOM 399 CG LYS A 25 31.004 -14.472 -19.789 1.00 51.41 C ATOM 400 CD LYS A 25 30.573 -14.688 -21.230 1.00 63.50 C ATOM 401 CE LYS A 25 30.693 -16.150 -21.634 1.00 22.14 C ATOM 402 NZ LYS A 25 31.936 -16.411 -22.411 1.00 3.31 N ATOM 0 H LYS A 25 30.476 -14.097 -17.386 1.00 44.41 H new ATOM 0 HA LYS A 25 30.402 -11.392 -18.297 1.00 63.34 H new ATOM 0 HB2 LYS A 25 31.225 -12.440 -20.420 1.00 31.41 H new ATOM 0 HB3 LYS A 25 32.176 -12.861 -19.009 1.00 31.41 H new ATOM 0 HG2 LYS A 25 31.931 -15.013 -19.600 1.00 51.41 H new ATOM 0 HG3 LYS A 25 30.252 -14.885 -19.117 1.00 51.41 H new ATOM 0 HD2 LYS A 25 29.542 -14.358 -21.356 1.00 63.50 H new ATOM 0 HD3 LYS A 25 31.187 -14.075 -21.890 1.00 63.50 H new ATOM 0 HE2 LYS A 25 30.685 -16.775 -20.741 1.00 22.14 H new ATOM 0 HE3 LYS A 25 29.826 -16.434 -22.230 1.00 22.14 H new ATOM 0 HZ1 LYS A 25 31.980 -17.418 -22.667 1.00 3.31 H new ATOM 0 HZ2 LYS A 25 31.932 -15.834 -23.276 1.00 3.31 H new ATOM 0 HZ3 LYS A 25 32.765 -16.164 -21.833 1.00 3.31 H new ATOM 416 N GLU A 26 28.062 -13.464 -19.304 1.00 65.50 N ATOM 417 CA GLU A 26 26.772 -13.542 -19.979 1.00 43.31 C ATOM 418 C GLU A 26 25.728 -12.698 -19.254 1.00 75.20 C ATOM 419 O GLU A 26 24.860 -12.091 -19.881 1.00 3.13 O ATOM 420 CB GLU A 26 26.302 -14.995 -20.063 1.00 34.23 C ATOM 421 CG GLU A 26 27.316 -15.928 -20.704 1.00 12.53 C ATOM 422 CD GLU A 26 27.332 -15.821 -22.216 1.00 74.22 C ATOM 423 OE1 GLU A 26 27.723 -14.754 -22.732 1.00 41.25 O ATOM 424 OE2 GLU A 26 26.952 -16.806 -22.884 1.00 22.45 O ATOM 0 H GLU A 26 28.342 -14.322 -18.829 1.00 65.50 H new ATOM 0 HA GLU A 26 26.894 -13.150 -20.989 1.00 43.31 H new ATOM 0 HB2 GLU A 26 26.076 -15.353 -19.059 1.00 34.23 H new ATOM 0 HB3 GLU A 26 25.373 -15.035 -20.633 1.00 34.23 H new ATOM 0 HG2 GLU A 26 28.309 -15.700 -20.317 1.00 12.53 H new ATOM 0 HG3 GLU A 26 27.090 -16.955 -20.418 1.00 12.53 H new ATOM 431 N GLY A 27 25.817 -12.666 -17.928 1.00 24.52 N ATOM 432 CA GLY A 27 24.874 -11.896 -17.139 1.00 3.14 C ATOM 433 C GLY A 27 25.403 -10.520 -16.784 1.00 21.43 C ATOM 434 O GLY A 27 25.000 -9.521 -17.377 1.00 70.13 O ATOM 0 H GLY A 27 26.526 -13.160 -17.386 1.00 24.52 H new ATOM 0 HA2 GLY A 27 23.941 -11.791 -17.693 1.00 3.14 H new ATOM 0 HA3 GLY A 27 24.642 -12.440 -16.223 1.00 3.14 H new ATOM 438 N ASN A 28 26.308 -10.469 -15.811 1.00 55.41 N ATOM 439 CA ASN A 28 26.891 -9.205 -15.376 1.00 54.52 C ATOM 440 C ASN A 28 27.550 -8.479 -16.545 1.00 54.31 C ATOM 441 O ASN A 28 28.672 -8.800 -16.937 1.00 12.20 O ATOM 442 CB ASN A 28 27.917 -9.447 -14.268 1.00 21.02 C ATOM 443 CG ASN A 28 28.044 -8.263 -13.328 1.00 61.43 C ATOM 444 OD1 ASN A 28 28.284 -7.136 -13.761 1.00 65.21 O ATOM 445 ND2 ASN A 28 27.883 -8.515 -12.034 1.00 71.35 N ATOM 0 H ASN A 28 26.653 -11.288 -15.310 1.00 55.41 H new ATOM 0 HA ASN A 28 26.088 -8.578 -14.988 1.00 54.52 H new ATOM 0 HB2 ASN A 28 27.630 -10.331 -13.698 1.00 21.02 H new ATOM 0 HB3 ASN A 28 28.888 -9.658 -14.716 1.00 21.02 H new ATOM 0 HD21 ASN A 28 27.957 -7.758 -11.354 1.00 71.35 H new ATOM 0 HD22 ASN A 28 27.685 -9.465 -11.720 1.00 71.35 H new ATOM 452 N LYS A 29 26.845 -7.498 -17.098 1.00 52.53 N ATOM 453 CA LYS A 29 27.360 -6.723 -18.221 1.00 63.42 C ATOM 454 C LYS A 29 28.396 -5.707 -17.751 1.00 54.54 C ATOM 455 O LYS A 29 29.510 -5.656 -18.272 1.00 41.50 O ATOM 456 CB LYS A 29 26.216 -6.007 -18.941 1.00 51.52 C ATOM 457 CG LYS A 29 25.559 -6.844 -20.025 1.00 25.31 C ATOM 458 CD LYS A 29 24.123 -7.189 -19.670 1.00 31.12 C ATOM 459 CE LYS A 29 23.521 -8.165 -20.669 1.00 55.21 C ATOM 460 NZ LYS A 29 22.043 -8.012 -20.771 1.00 73.43 N ATOM 0 H LYS A 29 25.914 -7.220 -16.786 1.00 52.53 H new ATOM 0 HA LYS A 29 27.842 -7.412 -18.915 1.00 63.42 H new ATOM 0 HB2 LYS A 29 25.461 -5.719 -18.209 1.00 51.52 H new ATOM 0 HB3 LYS A 29 26.597 -5.087 -19.385 1.00 51.52 H new ATOM 0 HG2 LYS A 29 25.581 -6.300 -20.969 1.00 25.31 H new ATOM 0 HG3 LYS A 29 26.129 -7.761 -20.173 1.00 25.31 H new ATOM 0 HD2 LYS A 29 24.088 -7.622 -18.670 1.00 31.12 H new ATOM 0 HD3 LYS A 29 23.525 -6.278 -19.644 1.00 31.12 H new ATOM 0 HE2 LYS A 29 23.971 -8.006 -21.649 1.00 55.21 H new ATOM 0 HE3 LYS A 29 23.761 -9.185 -20.370 1.00 55.21 H new ATOM 0 HZ1 LYS A 29 21.670 -8.694 -21.462 1.00 73.43 H new ATOM 0 HZ2 LYS A 29 21.611 -8.189 -19.842 1.00 73.43 H new ATOM 0 HZ3 LYS A 29 21.815 -7.046 -21.081 1.00 73.43 H new ATOM 474 N ASP A 30 28.021 -4.900 -16.764 1.00 74.35 N ATOM 475 CA ASP A 30 28.918 -3.886 -16.223 1.00 31.43 C ATOM 476 C ASP A 30 29.766 -4.460 -15.091 1.00 55.52 C ATOM 477 O ASP A 30 29.864 -3.870 -14.015 1.00 23.12 O ATOM 478 CB ASP A 30 28.118 -2.684 -15.719 1.00 3.11 C ATOM 479 CG ASP A 30 27.242 -2.078 -16.798 1.00 32.45 C ATOM 480 OD1 ASP A 30 27.413 -2.448 -17.978 1.00 41.44 O ATOM 481 OD2 ASP A 30 26.384 -1.236 -16.461 1.00 32.12 O ATOM 0 H ASP A 30 27.102 -4.929 -16.323 1.00 74.35 H new ATOM 0 HA ASP A 30 29.583 -3.560 -17.022 1.00 31.43 H new ATOM 0 HB2 ASP A 30 27.495 -2.992 -14.880 1.00 3.11 H new ATOM 0 HB3 ASP A 30 28.805 -1.925 -15.344 1.00 3.11 H new ATOM 486 N LYS A 31 30.375 -5.613 -15.342 1.00 22.24 N ATOM 487 CA LYS A 31 31.215 -6.267 -14.345 1.00 70.42 C ATOM 488 C LYS A 31 32.643 -5.734 -14.402 1.00 12.31 C ATOM 489 O LYS A 31 33.382 -5.807 -13.420 1.00 61.44 O ATOM 490 CB LYS A 31 31.216 -7.782 -14.564 1.00 43.03 C ATOM 491 CG LYS A 31 31.907 -8.210 -15.847 1.00 60.34 C ATOM 492 CD LYS A 31 33.382 -8.493 -15.619 1.00 23.21 C ATOM 493 CE LYS A 31 34.236 -7.957 -16.758 1.00 13.21 C ATOM 494 NZ LYS A 31 35.078 -9.022 -17.369 1.00 41.00 N ATOM 0 H LYS A 31 30.303 -6.115 -16.227 1.00 22.24 H new ATOM 0 HA LYS A 31 30.803 -6.048 -13.360 1.00 70.42 H new ATOM 0 HB2 LYS A 31 31.708 -8.263 -13.718 1.00 43.03 H new ATOM 0 HB3 LYS A 31 30.186 -8.139 -14.579 1.00 43.03 H new ATOM 0 HG2 LYS A 31 31.421 -9.102 -16.242 1.00 60.34 H new ATOM 0 HG3 LYS A 31 31.798 -7.428 -16.598 1.00 60.34 H new ATOM 0 HD2 LYS A 31 33.700 -8.039 -14.680 1.00 23.21 H new ATOM 0 HD3 LYS A 31 33.536 -9.568 -15.522 1.00 23.21 H new ATOM 0 HE2 LYS A 31 33.591 -7.521 -17.521 1.00 13.21 H new ATOM 0 HE3 LYS A 31 34.876 -7.157 -16.386 1.00 13.21 H new ATOM 0 HZ1 LYS A 31 35.645 -8.616 -18.141 1.00 41.00 H new ATOM 0 HZ2 LYS A 31 35.711 -9.421 -16.647 1.00 41.00 H new ATOM 0 HZ3 LYS A 31 34.467 -9.774 -17.747 1.00 41.00 H new ATOM 508 N TRP A 32 33.023 -5.196 -15.555 1.00 52.02 N ATOM 509 CA TRP A 32 34.362 -4.648 -15.738 1.00 62.54 C ATOM 510 C TRP A 32 34.573 -3.419 -14.861 1.00 75.31 C ATOM 511 O TRP A 32 35.706 -3.014 -14.604 1.00 43.23 O ATOM 512 CB TRP A 32 34.591 -4.288 -17.207 1.00 5.51 C ATOM 513 CG TRP A 32 33.511 -3.422 -17.781 1.00 44.53 C ATOM 514 CD1 TRP A 32 32.400 -3.837 -18.458 1.00 24.51 C ATOM 515 CD2 TRP A 32 33.441 -1.992 -17.731 1.00 23.41 C ATOM 516 NE1 TRP A 32 31.644 -2.753 -18.831 1.00 52.11 N ATOM 517 CE2 TRP A 32 32.260 -1.610 -18.396 1.00 42.53 C ATOM 518 CE3 TRP A 32 34.260 -0.999 -17.187 1.00 31.12 C ATOM 519 CZ2 TRP A 32 31.881 -0.277 -18.532 1.00 1.33 C ATOM 520 CZ3 TRP A 32 33.882 0.323 -17.322 1.00 44.33 C ATOM 521 CH2 TRP A 32 32.701 0.675 -17.989 1.00 64.05 C ATOM 0 H TRP A 32 32.423 -5.127 -16.377 1.00 52.02 H new ATOM 0 HA TRP A 32 35.083 -5.410 -15.441 1.00 62.54 H new ATOM 0 HB2 TRP A 32 35.548 -3.775 -17.303 1.00 5.51 H new ATOM 0 HB3 TRP A 32 34.661 -5.205 -17.792 1.00 5.51 H new ATOM 0 HD1 TRP A 32 32.152 -4.867 -18.669 1.00 24.51 H new ATOM 0 HE1 TRP A 32 30.766 -2.793 -19.348 1.00 52.11 H new ATOM 0 HE3 TRP A 32 35.172 -1.260 -16.670 1.00 31.12 H new ATOM 0 HZ2 TRP A 32 30.972 -0.004 -19.048 1.00 1.33 H new ATOM 0 HZ3 TRP A 32 34.508 1.099 -16.906 1.00 44.33 H new ATOM 0 HH2 TRP A 32 32.433 1.717 -18.076 1.00 64.05 H new ATOM 532 N LYS A 33 33.474 -2.829 -14.403 1.00 75.52 N ATOM 533 CA LYS A 33 33.537 -1.647 -13.553 1.00 10.21 C ATOM 534 C LYS A 33 34.317 -1.937 -12.275 1.00 3.23 C ATOM 535 O LYS A 33 34.850 -1.026 -11.642 1.00 32.34 O ATOM 536 CB LYS A 33 32.126 -1.168 -13.204 1.00 50.10 C ATOM 537 CG LYS A 33 31.253 -0.911 -14.420 1.00 51.20 C ATOM 538 CD LYS A 33 31.508 0.467 -15.008 1.00 75.12 C ATOM 539 CE LYS A 33 30.925 1.564 -14.130 1.00 41.03 C ATOM 540 NZ LYS A 33 29.760 2.231 -14.775 1.00 64.14 N ATOM 0 H LYS A 33 32.528 -3.151 -14.607 1.00 75.52 H new ATOM 0 HA LYS A 33 34.055 -0.862 -14.104 1.00 10.21 H new ATOM 0 HB2 LYS A 33 31.644 -1.914 -12.572 1.00 50.10 H new ATOM 0 HB3 LYS A 33 32.197 -0.252 -12.618 1.00 50.10 H new ATOM 0 HG2 LYS A 33 31.447 -1.672 -15.176 1.00 51.20 H new ATOM 0 HG3 LYS A 33 30.203 -1.000 -14.141 1.00 51.20 H new ATOM 0 HD2 LYS A 33 32.581 0.622 -15.122 1.00 75.12 H new ATOM 0 HD3 LYS A 33 31.070 0.525 -16.004 1.00 75.12 H new ATOM 0 HE2 LYS A 33 30.617 1.139 -13.175 1.00 41.03 H new ATOM 0 HE3 LYS A 33 31.695 2.305 -13.916 1.00 41.03 H new ATOM 0 HZ1 LYS A 33 29.392 2.972 -14.145 1.00 64.14 H new ATOM 0 HZ2 LYS A 33 30.059 2.659 -15.675 1.00 64.14 H new ATOM 0 HZ3 LYS A 33 29.015 1.529 -14.956 1.00 64.14 H new ATOM 554 N ASN A 34 34.382 -3.211 -11.902 1.00 74.03 N ATOM 555 CA ASN A 34 35.098 -3.621 -10.700 1.00 1.31 C ATOM 556 C ASN A 34 36.578 -3.840 -10.997 1.00 24.10 C ATOM 557 O ASN A 34 37.338 -4.273 -10.130 1.00 3.41 O ATOM 558 CB ASN A 34 34.486 -4.901 -10.128 1.00 1.24 C ATOM 559 CG ASN A 34 33.612 -4.633 -8.918 1.00 22.05 C ATOM 560 OD1 ASN A 34 33.869 -5.144 -7.827 1.00 73.23 O ATOM 561 ND2 ASN A 34 32.573 -3.828 -9.105 1.00 72.11 N ATOM 0 H ASN A 34 33.947 -3.978 -12.415 1.00 74.03 H new ATOM 0 HA ASN A 34 35.008 -2.823 -9.963 1.00 1.31 H new ATOM 0 HB2 ASN A 34 33.893 -5.393 -10.899 1.00 1.24 H new ATOM 0 HB3 ASN A 34 35.284 -5.590 -9.851 1.00 1.24 H new ATOM 0 HD21 ASN A 34 31.950 -3.611 -8.327 1.00 72.11 H new ATOM 0 HD22 ASN A 34 32.398 -3.427 -10.026 1.00 72.11 H new ATOM 568 N ILE A 35 36.980 -3.538 -12.227 1.00 24.31 N ATOM 569 CA ILE A 35 38.370 -3.701 -12.637 1.00 55.15 C ATOM 570 C ILE A 35 39.150 -2.403 -12.461 1.00 25.13 C ATOM 571 O ILE A 35 40.263 -2.402 -11.933 1.00 70.35 O ATOM 572 CB ILE A 35 38.473 -4.153 -14.106 1.00 23.30 C ATOM 573 CG1 ILE A 35 37.572 -5.364 -14.354 1.00 70.52 C ATOM 574 CG2 ILE A 35 39.917 -4.479 -14.459 1.00 72.20 C ATOM 575 CD1 ILE A 35 37.610 -5.863 -15.782 1.00 34.22 C ATOM 0 H ILE A 35 36.364 -3.179 -12.957 1.00 24.31 H new ATOM 0 HA ILE A 35 38.801 -4.471 -11.997 1.00 55.15 H new ATOM 0 HB ILE A 35 38.138 -3.337 -14.747 1.00 23.30 H new ATOM 0 HG12 ILE A 35 37.872 -6.172 -13.687 1.00 70.52 H new ATOM 0 HG13 ILE A 35 36.546 -5.102 -14.096 1.00 70.52 H new ATOM 0 HG21 ILE A 35 39.974 -4.797 -15.500 1.00 72.20 H new ATOM 0 HG22 ILE A 35 40.536 -3.593 -14.316 1.00 72.20 H new ATOM 0 HG23 ILE A 35 40.277 -5.281 -13.814 1.00 72.20 H new ATOM 0 HD11 ILE A 35 36.948 -6.723 -15.885 1.00 34.22 H new ATOM 0 HD12 ILE A 35 37.282 -5.070 -16.453 1.00 34.22 H new ATOM 0 HD13 ILE A 35 38.628 -6.157 -16.038 1.00 34.22 H new TER 587 ILE A 35