USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 264 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 Set 1.1: A 9 CYS SG : rot -110:sc= -18.3! USER MOD Set 1.2: B 9 CYS SG : rot -160:sc= -31.9! USER MOD Single : A 1 VAL N :NH3+ -135:sc= -0.061 (180deg=-0.473) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0111) USER MOD Single : A 14 LYS NZ :NH3+ 139:sc= -0.473 (180deg=-1.73!) USER MOD Single : B 1 VAL N :NH3+ 145:sc= -0.0697 (180deg=-0.386) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.141) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 0.732 0.215 -0.326 1.00 52.32 N ATOM 2 CA VAL A 1 1.740 0.236 -1.379 1.00 4.11 C ATOM 3 C VAL A 1 2.829 -0.798 -1.117 1.00 61.52 C ATOM 4 O VAL A 1 3.199 -1.048 0.029 1.00 24.44 O ATOM 5 CB VAL A 1 2.389 1.627 -1.507 1.00 43.01 C ATOM 6 CG1 VAL A 1 3.466 1.617 -2.582 1.00 13.22 C ATOM 7 CG2 VAL A 1 1.334 2.681 -1.807 1.00 43.11 C ATOM 0 H1 VAL A 1 -0.216 0.246 -0.752 1.00 52.32 H new ATOM 0 H2 VAL A 1 0.832 -0.656 0.233 1.00 52.32 H new ATOM 0 H3 VAL A 1 0.860 1.040 0.294 1.00 52.32 H new ATOM 0 HA VAL A 1 1.229 -0.006 -2.311 1.00 4.11 H new ATOM 0 HB VAL A 1 2.860 1.878 -0.557 1.00 43.01 H new ATOM 0 HG11 VAL A 1 3.913 2.608 -2.658 1.00 13.22 H new ATOM 0 HG12 VAL A 1 4.235 0.891 -2.319 1.00 13.22 H new ATOM 0 HG13 VAL A 1 3.022 1.345 -3.539 1.00 13.22 H new ATOM 0 HG21 VAL A 1 1.810 3.658 -1.894 1.00 43.11 H new ATOM 0 HG22 VAL A 1 0.832 2.437 -2.743 1.00 43.11 H new ATOM 0 HG23 VAL A 1 0.603 2.704 -0.999 1.00 43.11 H new ATOM 17 N ALA A 2 3.339 -1.397 -2.189 1.00 33.12 N ATOM 18 CA ALA A 2 4.387 -2.403 -2.076 1.00 24.15 C ATOM 19 C ALA A 2 5.677 -1.793 -1.537 1.00 22.50 C ATOM 20 O ALA A 2 6.045 -2.015 -0.383 1.00 62.23 O ATOM 21 CB ALA A 2 4.635 -3.061 -3.425 1.00 25.12 C ATOM 0 H ALA A 2 3.043 -1.202 -3.145 1.00 33.12 H new ATOM 0 HA ALA A 2 4.052 -3.163 -1.370 1.00 24.15 H new ATOM 0 HB1 ALA A 2 5.420 -3.810 -3.325 1.00 25.12 H new ATOM 0 HB2 ALA A 2 3.719 -3.540 -3.770 1.00 25.12 H new ATOM 0 HB3 ALA A 2 4.944 -2.305 -4.147 1.00 25.12 H new ATOM 27 N ARG A 3 6.360 -1.025 -2.380 1.00 20.34 N ATOM 28 CA ARG A 3 7.610 -0.385 -1.988 1.00 61.42 C ATOM 29 C ARG A 3 7.499 1.133 -2.092 1.00 64.01 C ATOM 30 O ARG A 3 6.585 1.739 -1.534 1.00 64.42 O ATOM 31 CB ARG A 3 8.760 -0.885 -2.865 1.00 11.20 C ATOM 32 CG ARG A 3 8.838 -2.400 -2.962 1.00 40.42 C ATOM 33 CD ARG A 3 9.901 -2.840 -3.957 1.00 12.11 C ATOM 34 NE ARG A 3 10.469 -4.140 -3.611 1.00 3.22 N ATOM 35 CZ ARG A 3 11.646 -4.569 -4.054 1.00 75.14 C ATOM 36 NH1 ARG A 3 12.374 -3.805 -4.857 1.00 30.40 N ATOM 37 NH2 ARG A 3 12.095 -5.765 -3.695 1.00 5.51 N ATOM 0 H ARG A 3 6.069 -0.831 -3.338 1.00 20.34 H new ATOM 0 HA ARG A 3 7.814 -0.647 -0.950 1.00 61.42 H new ATOM 0 HB2 ARG A 3 8.648 -0.471 -3.867 1.00 11.20 H new ATOM 0 HB3 ARG A 3 9.701 -0.506 -2.466 1.00 11.20 H new ATOM 0 HG2 ARG A 3 9.062 -2.818 -1.980 1.00 40.42 H new ATOM 0 HG3 ARG A 3 7.869 -2.797 -3.264 1.00 40.42 H new ATOM 0 HD2 ARG A 3 9.466 -2.889 -4.955 1.00 12.11 H new ATOM 0 HD3 ARG A 3 10.696 -2.095 -3.992 1.00 12.11 H new ATOM 0 HE ARG A 3 9.933 -4.752 -2.996 1.00 3.22 H new ATOM 0 HH11 ARG A 3 12.031 -2.886 -5.136 1.00 30.40 H new ATOM 0 HH12 ARG A 3 13.277 -4.136 -5.196 1.00 30.40 H new ATOM 0 HH21 ARG A 3 11.537 -6.356 -3.079 1.00 5.51 H new ATOM 0 HH22 ARG A 3 12.999 -6.094 -4.035 1.00 5.51 H new ATOM 51 N GLY A 4 8.438 1.742 -2.810 1.00 41.05 N ATOM 52 CA GLY A 4 8.428 3.184 -2.974 1.00 22.01 C ATOM 53 C GLY A 4 8.500 3.603 -4.429 1.00 2.12 C ATOM 54 O GLY A 4 9.588 3.769 -4.981 1.00 30.04 O ATOM 0 H GLY A 4 9.205 1.262 -3.281 1.00 41.05 H new ATOM 0 HA2 GLY A 4 7.521 3.591 -2.526 1.00 22.01 H new ATOM 0 HA3 GLY A 4 9.271 3.614 -2.433 1.00 22.01 H new ATOM 58 N TRP A 5 7.340 3.773 -5.052 1.00 34.04 N ATOM 59 CA TRP A 5 7.276 4.174 -6.453 1.00 32.44 C ATOM 60 C TRP A 5 7.924 5.538 -6.659 1.00 2.03 C ATOM 61 O TRP A 5 7.282 6.574 -6.489 1.00 14.35 O ATOM 62 CB TRP A 5 5.823 4.209 -6.929 1.00 34.33 C ATOM 63 CG TRP A 5 5.002 3.063 -6.418 1.00 4.14 C ATOM 64 CD1 TRP A 5 3.697 3.104 -6.017 1.00 24.11 C ATOM 65 CD2 TRP A 5 5.433 1.708 -6.251 1.00 22.12 C ATOM 66 NE1 TRP A 5 3.291 1.856 -5.611 1.00 60.40 N ATOM 67 CE2 TRP A 5 4.337 0.982 -5.746 1.00 20.54 C ATOM 68 CE3 TRP A 5 6.637 1.037 -6.481 1.00 21.11 C ATOM 69 CZ2 TRP A 5 4.412 -0.380 -5.467 1.00 30.44 C ATOM 70 CZ3 TRP A 5 6.710 -0.315 -6.203 1.00 50.21 C ATOM 71 CH2 TRP A 5 5.603 -1.012 -5.701 1.00 60.02 C ATOM 0 H TRP A 5 6.431 3.640 -4.610 1.00 34.04 H new ATOM 0 HA TRP A 5 7.826 3.439 -7.041 1.00 32.44 H new ATOM 0 HB2 TRP A 5 5.366 5.145 -6.609 1.00 34.33 H new ATOM 0 HB3 TRP A 5 5.805 4.202 -8.019 1.00 34.33 H new ATOM 0 HD1 TRP A 5 3.076 3.987 -6.019 1.00 24.11 H new ATOM 0 HE1 TRP A 5 2.361 1.619 -5.265 1.00 60.40 H new ATOM 0 HE3 TRP A 5 7.495 1.565 -6.869 1.00 21.11 H new ATOM 0 HZ2 TRP A 5 3.560 -0.919 -5.079 1.00 30.44 H new ATOM 0 HZ3 TRP A 5 7.636 -0.843 -6.376 1.00 50.21 H new ATOM 0 HH2 TRP A 5 5.691 -2.068 -5.495 1.00 60.02 H new ATOM 82 N LYS A 6 9.201 5.532 -7.026 1.00 41.14 N ATOM 83 CA LYS A 6 9.937 6.769 -7.257 1.00 40.45 C ATOM 84 C LYS A 6 10.366 6.883 -8.717 1.00 14.00 C ATOM 85 O LYS A 6 9.528 6.927 -9.618 1.00 32.50 O ATOM 86 CB LYS A 6 11.166 6.834 -6.348 1.00 32.44 C ATOM 87 CG LYS A 6 10.828 6.817 -4.867 1.00 32.21 C ATOM 88 CD LYS A 6 11.763 5.903 -4.092 1.00 14.42 C ATOM 89 CE LYS A 6 11.607 6.091 -2.590 1.00 73.45 C ATOM 90 NZ LYS A 6 12.463 5.145 -1.822 1.00 0.42 N ATOM 0 H LYS A 6 9.748 4.683 -7.170 1.00 41.14 H new ATOM 0 HA LYS A 6 9.276 7.604 -7.024 1.00 40.45 H new ATOM 0 HB2 LYS A 6 11.819 5.991 -6.573 1.00 32.44 H new ATOM 0 HB3 LYS A 6 11.727 7.741 -6.574 1.00 32.44 H new ATOM 0 HG2 LYS A 6 10.892 7.829 -4.467 1.00 32.21 H new ATOM 0 HG3 LYS A 6 9.799 6.485 -4.732 1.00 32.21 H new ATOM 0 HD2 LYS A 6 11.558 4.865 -4.353 1.00 14.42 H new ATOM 0 HD3 LYS A 6 12.794 6.107 -4.380 1.00 14.42 H new ATOM 0 HE2 LYS A 6 11.867 7.115 -2.323 1.00 73.45 H new ATOM 0 HE3 LYS A 6 10.563 5.944 -2.312 1.00 73.45 H new ATOM 0 HZ1 LYS A 6 12.329 5.304 -0.803 1.00 0.42 H new ATOM 0 HZ2 LYS A 6 12.198 4.167 -2.058 1.00 0.42 H new ATOM 0 HZ3 LYS A 6 13.461 5.302 -2.068 1.00 0.42 H new ATOM 104 N ARG A 7 11.674 6.929 -8.943 1.00 4.32 N ATOM 105 CA ARG A 7 12.213 7.037 -10.293 1.00 44.41 C ATOM 106 C ARG A 7 12.285 5.667 -10.961 1.00 44.40 C ATOM 107 O ARG A 7 11.382 5.277 -11.701 1.00 31.35 O ATOM 108 CB ARG A 7 13.604 7.675 -10.261 1.00 32.44 C ATOM 109 CG ARG A 7 13.585 9.162 -9.947 1.00 22.42 C ATOM 110 CD ARG A 7 13.076 9.974 -11.127 1.00 74.31 C ATOM 111 NE ARG A 7 13.174 11.411 -10.886 1.00 61.21 N ATOM 112 CZ ARG A 7 13.070 12.325 -11.844 1.00 4.41 C ATOM 113 NH1 ARG A 7 12.866 11.954 -13.100 1.00 54.22 N ATOM 114 NH2 ARG A 7 13.171 13.614 -11.546 1.00 11.43 N ATOM 0 H ARG A 7 12.381 6.893 -8.208 1.00 4.32 H new ATOM 0 HA ARG A 7 11.544 7.671 -10.875 1.00 44.41 H new ATOM 0 HB2 ARG A 7 14.212 7.163 -9.516 1.00 32.44 H new ATOM 0 HB3 ARG A 7 14.087 7.522 -11.226 1.00 32.44 H new ATOM 0 HG2 ARG A 7 12.952 9.344 -9.079 1.00 22.42 H new ATOM 0 HG3 ARG A 7 14.590 9.492 -9.683 1.00 22.42 H new ATOM 0 HD2 ARG A 7 13.648 9.716 -12.018 1.00 74.31 H new ATOM 0 HD3 ARG A 7 12.038 9.710 -11.328 1.00 74.31 H new ATOM 0 HE ARG A 7 13.331 11.730 -9.930 1.00 61.21 H new ATOM 0 HH11 ARG A 7 12.788 10.964 -13.333 1.00 54.22 H new ATOM 0 HH12 ARG A 7 12.787 12.658 -13.833 1.00 54.22 H new ATOM 0 HH21 ARG A 7 13.329 13.903 -10.581 1.00 11.43 H new ATOM 0 HH22 ARG A 7 13.091 14.315 -12.282 1.00 11.43 H new ATOM 128 N LYS A 8 13.366 4.942 -10.696 1.00 25.21 N ATOM 129 CA LYS A 8 13.558 3.615 -11.270 1.00 13.13 C ATOM 130 C LYS A 8 12.518 2.636 -10.734 1.00 71.24 C ATOM 131 O LYS A 8 12.791 1.866 -9.813 1.00 4.33 O ATOM 132 CB LYS A 8 14.965 3.101 -10.960 1.00 23.14 C ATOM 133 CG LYS A 8 16.066 4.077 -11.336 1.00 42.13 C ATOM 134 CD LYS A 8 16.743 3.680 -12.638 1.00 33.34 C ATOM 135 CE LYS A 8 17.853 2.667 -12.402 1.00 11.10 C ATOM 136 NZ LYS A 8 19.084 3.309 -11.865 1.00 5.12 N ATOM 0 H LYS A 8 14.123 5.251 -10.087 1.00 25.21 H new ATOM 0 HA LYS A 8 13.437 3.692 -12.350 1.00 13.13 H new ATOM 0 HB2 LYS A 8 15.035 2.880 -9.895 1.00 23.14 H new ATOM 0 HB3 LYS A 8 15.125 2.163 -11.492 1.00 23.14 H new ATOM 0 HG2 LYS A 8 15.648 5.079 -11.433 1.00 42.13 H new ATOM 0 HG3 LYS A 8 16.807 4.117 -10.537 1.00 42.13 H new ATOM 0 HD2 LYS A 8 16.004 3.260 -13.320 1.00 33.34 H new ATOM 0 HD3 LYS A 8 17.154 4.567 -13.121 1.00 33.34 H new ATOM 0 HE2 LYS A 8 17.507 1.905 -11.704 1.00 11.10 H new ATOM 0 HE3 LYS A 8 18.087 2.160 -13.338 1.00 11.10 H new ATOM 0 HZ1 LYS A 8 19.848 2.605 -11.813 1.00 5.12 H new ATOM 0 HZ2 LYS A 8 19.372 4.087 -12.492 1.00 5.12 H new ATOM 0 HZ3 LYS A 8 18.893 3.683 -10.914 1.00 5.12 H new ATOM 150 N CYS A 9 11.325 2.669 -11.319 1.00 30.52 N ATOM 151 CA CYS A 9 10.244 1.783 -10.902 1.00 1.52 C ATOM 152 C CYS A 9 10.773 0.384 -10.599 1.00 11.41 C ATOM 153 O CYS A 9 11.049 -0.410 -11.498 1.00 42.00 O ATOM 154 CB CYS A 9 9.169 1.710 -11.988 1.00 1.31 C ATOM 155 SG CYS A 9 9.827 1.720 -13.687 1.00 14.52 S ATOM 0 H CYS A 9 11.082 3.300 -12.083 1.00 30.52 H new ATOM 0 HA CYS A 9 9.804 2.191 -9.992 1.00 1.52 H new ATOM 0 HB2 CYS A 9 8.582 0.803 -11.843 1.00 1.31 H new ATOM 0 HB3 CYS A 9 8.489 2.553 -11.868 1.00 1.31 H new ATOM 0 HG CYS A 9 9.540 2.853 -14.257 1.00 14.52 H new ATOM 160 N PRO A 10 10.917 0.075 -9.302 1.00 22.51 N ATOM 161 CA PRO A 10 11.413 -1.229 -8.850 1.00 14.01 C ATOM 162 C PRO A 10 10.412 -2.351 -9.108 1.00 2.55 C ATOM 163 O PRO A 10 10.744 -3.363 -9.726 1.00 4.14 O ATOM 164 CB PRO A 10 11.616 -1.029 -7.346 1.00 41.00 C ATOM 165 CG PRO A 10 10.675 0.066 -6.979 1.00 5.32 C ATOM 166 CD PRO A 10 10.607 0.973 -8.177 1.00 22.52 C ATOM 0 HA PRO A 10 12.317 -1.527 -9.380 1.00 14.01 H new ATOM 0 HB2 PRO A 10 11.397 -1.942 -6.792 1.00 41.00 H new ATOM 0 HB3 PRO A 10 12.647 -0.758 -7.118 1.00 41.00 H new ATOM 0 HG2 PRO A 10 9.690 -0.332 -6.734 1.00 5.32 H new ATOM 0 HG3 PRO A 10 11.028 0.606 -6.100 1.00 5.32 H new ATOM 0 HD2 PRO A 10 9.621 1.425 -8.283 1.00 22.52 H new ATOM 0 HD3 PRO A 10 11.326 1.789 -8.104 1.00 22.52 H new ATOM 174 N LEU A 11 9.186 -2.164 -8.631 1.00 23.42 N ATOM 175 CA LEU A 11 8.136 -3.161 -8.810 1.00 61.02 C ATOM 176 C LEU A 11 7.201 -2.768 -9.949 1.00 51.41 C ATOM 177 O LEU A 11 7.154 -3.431 -10.985 1.00 72.12 O ATOM 178 CB LEU A 11 7.339 -3.329 -7.516 1.00 20.44 C ATOM 179 CG LEU A 11 6.512 -4.610 -7.398 1.00 72.14 C ATOM 180 CD1 LEU A 11 5.321 -4.565 -8.344 1.00 3.24 C ATOM 181 CD2 LEU A 11 7.375 -5.831 -7.683 1.00 40.51 C ATOM 0 H LEU A 11 8.895 -1.332 -8.118 1.00 23.42 H new ATOM 0 HA LEU A 11 8.609 -4.110 -9.064 1.00 61.02 H new ATOM 0 HB2 LEU A 11 8.034 -3.291 -6.677 1.00 20.44 H new ATOM 0 HB3 LEU A 11 6.668 -2.476 -7.413 1.00 20.44 H new ATOM 0 HG LEU A 11 6.138 -4.685 -6.377 1.00 72.14 H new ATOM 0 HD11 LEU A 11 4.744 -5.485 -8.246 1.00 3.24 H new ATOM 0 HD12 LEU A 11 4.690 -3.712 -8.094 1.00 3.24 H new ATOM 0 HD13 LEU A 11 5.675 -4.466 -9.370 1.00 3.24 H new ATOM 0 HD21 LEU A 11 6.770 -6.733 -7.594 1.00 40.51 H new ATOM 0 HD22 LEU A 11 7.779 -5.763 -8.693 1.00 40.51 H new ATOM 0 HD23 LEU A 11 8.195 -5.872 -6.966 1.00 40.51 H new ATOM 193 N PHE A 12 6.459 -1.683 -9.751 1.00 2.21 N ATOM 194 CA PHE A 12 5.526 -1.200 -10.762 1.00 12.33 C ATOM 195 C PHE A 12 6.264 -0.792 -12.033 1.00 62.34 C ATOM 196 O PHE A 12 6.489 0.392 -12.282 1.00 34.51 O ATOM 197 CB PHE A 12 4.725 -0.013 -10.221 1.00 72.33 C ATOM 198 CG PHE A 12 5.495 1.276 -10.214 1.00 12.31 C ATOM 199 CD1 PHE A 12 6.682 1.385 -9.509 1.00 5.25 C ATOM 200 CD2 PHE A 12 5.031 2.379 -10.913 1.00 4.34 C ATOM 201 CE1 PHE A 12 7.392 2.571 -9.499 1.00 64.04 C ATOM 202 CE2 PHE A 12 5.737 3.568 -10.908 1.00 23.35 C ATOM 203 CZ PHE A 12 6.920 3.663 -10.201 1.00 10.12 C ATOM 0 H PHE A 12 6.486 -1.122 -8.900 1.00 2.21 H new ATOM 0 HA PHE A 12 4.841 -2.012 -11.006 1.00 12.33 H new ATOM 0 HB2 PHE A 12 3.826 0.113 -10.824 1.00 72.33 H new ATOM 0 HB3 PHE A 12 4.399 -0.238 -9.206 1.00 72.33 H new ATOM 0 HD1 PHE A 12 7.057 0.534 -8.961 1.00 5.25 H new ATOM 0 HD2 PHE A 12 4.107 2.309 -11.468 1.00 4.34 H new ATOM 0 HE1 PHE A 12 8.315 2.644 -8.943 1.00 64.04 H new ATOM 0 HE2 PHE A 12 5.364 4.421 -11.456 1.00 23.35 H new ATOM 0 HZ PHE A 12 7.475 4.590 -10.197 1.00 10.12 H new ATOM 213 N GLY A 13 6.640 -1.784 -12.836 1.00 2.42 N ATOM 214 CA GLY A 13 7.350 -1.509 -14.072 1.00 31.24 C ATOM 215 C GLY A 13 6.691 -2.155 -15.274 1.00 61.13 C ATOM 216 O GLY A 13 5.633 -1.714 -15.724 1.00 45.23 O ATOM 0 H GLY A 13 6.466 -2.772 -12.653 1.00 2.42 H new ATOM 0 HA2 GLY A 13 7.402 -0.431 -14.226 1.00 31.24 H new ATOM 0 HA3 GLY A 13 8.375 -1.869 -13.986 1.00 31.24 H new ATOM 220 N LYS A 14 7.318 -3.203 -15.798 1.00 73.03 N ATOM 221 CA LYS A 14 6.787 -3.912 -16.957 1.00 0.32 C ATOM 222 C LYS A 14 5.520 -4.679 -16.592 1.00 24.21 C ATOM 223 O LYS A 14 5.463 -5.901 -16.725 1.00 40.22 O ATOM 224 CB LYS A 14 7.837 -4.875 -17.516 1.00 35.00 C ATOM 225 CG LYS A 14 8.784 -5.420 -16.462 1.00 25.31 C ATOM 226 CD LYS A 14 10.053 -4.589 -16.370 1.00 22.35 C ATOM 227 CE LYS A 14 11.055 -4.979 -17.446 1.00 74.20 C ATOM 228 NZ LYS A 14 10.874 -4.177 -18.688 1.00 22.51 N ATOM 0 H LYS A 14 8.195 -3.580 -15.438 1.00 73.03 H new ATOM 0 HA LYS A 14 6.537 -3.175 -17.720 1.00 0.32 H new ATOM 0 HB2 LYS A 14 7.331 -5.708 -18.003 1.00 35.00 H new ATOM 0 HB3 LYS A 14 8.417 -4.362 -18.283 1.00 35.00 H new ATOM 0 HG2 LYS A 14 8.284 -5.431 -15.493 1.00 25.31 H new ATOM 0 HG3 LYS A 14 9.040 -6.452 -16.701 1.00 25.31 H new ATOM 0 HD2 LYS A 14 9.805 -3.532 -16.469 1.00 22.35 H new ATOM 0 HD3 LYS A 14 10.504 -4.720 -15.387 1.00 22.35 H new ATOM 0 HE2 LYS A 14 12.068 -4.839 -17.067 1.00 74.20 H new ATOM 0 HE3 LYS A 14 10.945 -6.038 -17.678 1.00 74.20 H new ATOM 0 HZ1 LYS A 14 11.805 -3.914 -19.070 1.00 22.51 H new ATOM 0 HZ2 LYS A 14 10.357 -4.741 -19.393 1.00 22.51 H new ATOM 0 HZ3 LYS A 14 10.333 -3.316 -18.469 1.00 22.51 H new ATOM 242 N GLY A 15 4.506 -3.953 -16.132 1.00 34.41 N ATOM 243 CA GLY A 15 3.253 -4.583 -15.756 1.00 63.25 C ATOM 244 C GLY A 15 2.061 -3.972 -16.466 1.00 4.00 C ATOM 245 O GLY A 15 0.945 -4.480 -16.369 1.00 40.22 O ATOM 0 H GLY A 15 4.529 -2.940 -16.013 1.00 34.41 H new ATOM 0 HA2 GLY A 15 3.302 -5.648 -15.985 1.00 63.25 H new ATOM 0 HA3 GLY A 15 3.115 -4.495 -14.678 1.00 63.25 H new ATOM 249 N GLY A 16 2.298 -2.876 -17.181 1.00 30.11 N ATOM 250 CA GLY A 16 1.225 -2.212 -17.897 1.00 50.24 C ATOM 251 C GLY A 16 0.521 -3.134 -18.873 1.00 30.24 C ATOM 252 O GLY A 16 -0.668 -3.414 -18.726 1.00 10.24 O ATOM 0 H GLY A 16 3.214 -2.437 -17.277 1.00 30.11 H new ATOM 0 HA2 GLY A 16 0.500 -1.824 -17.181 1.00 50.24 H new ATOM 0 HA3 GLY A 16 1.629 -1.356 -18.437 1.00 50.24 H new TER 256 GLY A 16 ATOM 257 N VAL B 1 7.951 -2.678 -27.992 1.00 33.32 N ATOM 258 CA VAL B 1 7.930 -1.732 -26.883 1.00 52.42 C ATOM 259 C VAL B 1 7.082 -0.510 -27.220 1.00 32.14 C ATOM 260 O VAL B 1 7.042 -0.066 -28.367 1.00 31.43 O ATOM 261 CB VAL B 1 9.352 -1.270 -26.513 1.00 14.43 C ATOM 262 CG1 VAL B 1 10.054 -0.679 -27.726 1.00 2.35 C ATOM 263 CG2 VAL B 1 9.305 -0.265 -25.372 1.00 15.24 C ATOM 0 H1 VAL B 1 8.884 -3.135 -28.041 1.00 33.32 H new ATOM 0 H2 VAL B 1 7.218 -3.401 -27.845 1.00 33.32 H new ATOM 0 H3 VAL B 1 7.766 -2.173 -28.882 1.00 33.32 H new ATOM 0 HA VAL B 1 7.492 -2.252 -26.031 1.00 52.42 H new ATOM 0 HB VAL B 1 9.922 -2.137 -26.180 1.00 14.43 H new ATOM 0 HG11 VAL B 1 11.057 -0.358 -27.445 1.00 2.35 H new ATOM 0 HG12 VAL B 1 10.120 -1.432 -28.511 1.00 2.35 H new ATOM 0 HG13 VAL B 1 9.488 0.178 -28.092 1.00 2.35 H new ATOM 0 HG21 VAL B 1 10.318 0.051 -25.123 1.00 15.24 H new ATOM 0 HG22 VAL B 1 8.719 0.602 -25.675 1.00 15.24 H new ATOM 0 HG23 VAL B 1 8.845 -0.727 -24.499 1.00 15.24 H new ATOM 273 N ALA B 2 6.405 0.029 -26.211 1.00 40.51 N ATOM 274 CA ALA B 2 5.559 1.202 -26.399 1.00 64.31 C ATOM 275 C ALA B 2 6.399 2.463 -26.571 1.00 24.23 C ATOM 276 O ALA B 2 6.432 3.056 -27.649 1.00 12.43 O ATOM 277 CB ALA B 2 4.604 1.357 -25.225 1.00 2.20 C ATOM 0 H ALA B 2 6.426 -0.328 -25.256 1.00 40.51 H new ATOM 0 HA ALA B 2 4.977 1.058 -27.310 1.00 64.31 H new ATOM 0 HB1 ALA B 2 3.979 2.236 -25.378 1.00 2.20 H new ATOM 0 HB2 ALA B 2 3.973 0.471 -25.150 1.00 2.20 H new ATOM 0 HB3 ALA B 2 5.175 1.474 -24.304 1.00 2.20 H new ATOM 283 N ARG B 3 7.077 2.867 -25.501 1.00 60.12 N ATOM 284 CA ARG B 3 7.916 4.059 -25.534 1.00 13.04 C ATOM 285 C ARG B 3 9.365 3.714 -25.202 1.00 74.43 C ATOM 286 O ARG B 3 9.994 2.910 -25.888 1.00 63.42 O ATOM 287 CB ARG B 3 7.391 5.105 -24.548 1.00 21.53 C ATOM 288 CG ARG B 3 5.975 5.567 -24.847 1.00 53.31 C ATOM 289 CD ARG B 3 5.857 6.126 -26.256 1.00 44.34 C ATOM 290 NE ARG B 3 4.621 6.881 -26.445 1.00 21.50 N ATOM 291 CZ ARG B 3 4.247 7.398 -27.609 1.00 55.55 C ATOM 292 NH1 ARG B 3 5.009 7.244 -28.683 1.00 53.13 N ATOM 293 NH2 ARG B 3 3.107 8.072 -27.702 1.00 1.15 N ATOM 0 H ARG B 3 7.062 2.387 -24.601 1.00 60.12 H new ATOM 0 HA ARG B 3 7.881 4.470 -26.543 1.00 13.04 H new ATOM 0 HB2 ARG B 3 7.424 4.691 -23.540 1.00 21.53 H new ATOM 0 HB3 ARG B 3 8.056 5.969 -24.559 1.00 21.53 H new ATOM 0 HG2 ARG B 3 5.286 4.731 -24.727 1.00 53.31 H new ATOM 0 HG3 ARG B 3 5.680 6.329 -24.126 1.00 53.31 H new ATOM 0 HD2 ARG B 3 6.711 6.771 -26.462 1.00 44.34 H new ATOM 0 HD3 ARG B 3 5.895 5.307 -26.975 1.00 44.34 H new ATOM 0 HE ARG B 3 4.012 7.018 -25.638 1.00 21.50 H new ATOM 0 HH11 ARG B 3 5.886 6.727 -28.616 1.00 53.13 H new ATOM 0 HH12 ARG B 3 4.719 7.643 -29.576 1.00 53.13 H new ATOM 0 HH21 ARG B 3 2.517 8.193 -26.878 1.00 1.15 H new ATOM 0 HH22 ARG B 3 2.821 8.469 -28.597 1.00 1.15 H new ATOM 307 N GLY B 4 9.887 4.328 -24.145 1.00 44.14 N ATOM 308 CA GLY B 4 11.258 4.073 -23.742 1.00 10.30 C ATOM 309 C GLY B 4 11.376 3.742 -22.268 1.00 3.15 C ATOM 310 O GLY B 4 11.676 4.613 -21.451 1.00 52.31 O ATOM 0 H GLY B 4 9.386 4.997 -23.561 1.00 44.14 H new ATOM 0 HA2 GLY B 4 11.659 3.247 -24.330 1.00 10.30 H new ATOM 0 HA3 GLY B 4 11.868 4.949 -23.965 1.00 10.30 H new ATOM 314 N TRP B 5 11.139 2.481 -21.926 1.00 23.14 N ATOM 315 CA TRP B 5 11.219 2.037 -20.538 1.00 43.44 C ATOM 316 C TRP B 5 12.565 2.409 -19.925 1.00 31.30 C ATOM 317 O TRP B 5 13.560 1.709 -20.115 1.00 72.14 O ATOM 318 CB TRP B 5 11.005 0.525 -20.452 1.00 1.43 C ATOM 319 CG TRP B 5 9.854 0.040 -21.280 1.00 42.11 C ATOM 320 CD1 TRP B 5 9.763 -1.154 -21.936 1.00 71.14 C ATOM 321 CD2 TRP B 5 8.632 0.738 -21.542 1.00 1.53 C ATOM 322 NE1 TRP B 5 8.558 -1.240 -22.590 1.00 75.05 N ATOM 323 CE2 TRP B 5 7.845 -0.092 -22.363 1.00 62.34 C ATOM 324 CE3 TRP B 5 8.125 1.984 -21.160 1.00 71.54 C ATOM 325 CZ2 TRP B 5 6.581 0.284 -22.809 1.00 43.44 C ATOM 326 CZ3 TRP B 5 6.870 2.356 -21.604 1.00 44.02 C ATOM 327 CH2 TRP B 5 6.110 1.509 -22.421 1.00 33.11 C ATOM 0 H TRP B 5 10.890 1.748 -22.590 1.00 23.14 H new ATOM 0 HA TRP B 5 10.433 2.540 -19.975 1.00 43.44 H new ATOM 0 HB2 TRP B 5 11.914 0.018 -20.774 1.00 1.43 H new ATOM 0 HB3 TRP B 5 10.837 0.248 -19.411 1.00 1.43 H new ATOM 0 HD1 TRP B 5 10.526 -1.918 -21.940 1.00 71.14 H new ATOM 0 HE1 TRP B 5 8.245 -2.030 -23.153 1.00 75.05 H new ATOM 0 HE3 TRP B 5 8.703 2.643 -20.530 1.00 71.54 H new ATOM 0 HZ2 TRP B 5 5.993 -0.368 -23.439 1.00 43.44 H new ATOM 0 HZ3 TRP B 5 6.468 3.316 -21.316 1.00 44.02 H new ATOM 0 HH2 TRP B 5 5.133 1.829 -22.751 1.00 33.11 H new ATOM 338 N LYS B 6 12.589 3.514 -19.188 1.00 23.35 N ATOM 339 CA LYS B 6 13.813 3.978 -18.544 1.00 73.22 C ATOM 340 C LYS B 6 13.632 4.069 -17.032 1.00 55.04 C ATOM 341 O LYS B 6 13.318 3.077 -16.374 1.00 71.25 O ATOM 342 CB LYS B 6 14.221 5.343 -19.103 1.00 31.22 C ATOM 343 CG LYS B 6 13.085 6.351 -19.136 1.00 23.14 C ATOM 344 CD LYS B 6 12.945 6.988 -20.508 1.00 0.53 C ATOM 345 CE LYS B 6 13.668 8.325 -20.578 1.00 15.12 C ATOM 346 NZ LYS B 6 12.966 9.288 -21.471 1.00 44.41 N ATOM 0 H LYS B 6 11.775 4.105 -19.021 1.00 23.35 H new ATOM 0 HA LYS B 6 14.601 3.255 -18.754 1.00 73.22 H new ATOM 0 HB2 LYS B 6 15.035 5.745 -18.499 1.00 31.22 H new ATOM 0 HB3 LYS B 6 14.608 5.211 -20.113 1.00 31.22 H new ATOM 0 HG2 LYS B 6 12.151 5.857 -18.866 1.00 23.14 H new ATOM 0 HG3 LYS B 6 13.263 7.126 -18.390 1.00 23.14 H new ATOM 0 HD2 LYS B 6 13.347 6.315 -21.265 1.00 0.53 H new ATOM 0 HD3 LYS B 6 11.889 7.132 -20.738 1.00 0.53 H new ATOM 0 HE2 LYS B 6 13.746 8.749 -19.577 1.00 15.12 H new ATOM 0 HE3 LYS B 6 14.685 8.170 -20.939 1.00 15.12 H new ATOM 0 HZ1 LYS B 6 13.489 10.187 -21.492 1.00 44.41 H new ATOM 0 HZ2 LYS B 6 12.914 8.895 -22.432 1.00 44.41 H new ATOM 0 HZ3 LYS B 6 12.004 9.456 -21.113 1.00 44.41 H new ATOM 360 N ARG B 7 13.830 5.265 -16.488 1.00 54.33 N ATOM 361 CA ARG B 7 13.688 5.485 -15.054 1.00 54.31 C ATOM 362 C ARG B 7 12.237 5.789 -14.692 1.00 33.34 C ATOM 363 O ARG B 7 11.511 4.919 -14.210 1.00 75.10 O ATOM 364 CB ARG B 7 14.589 6.636 -14.601 1.00 72.53 C ATOM 365 CG ARG B 7 16.072 6.315 -14.683 1.00 4.15 C ATOM 366 CD ARG B 7 16.809 7.307 -15.570 1.00 33.25 C ATOM 367 NE ARG B 7 18.051 6.750 -16.099 1.00 11.21 N ATOM 368 CZ ARG B 7 18.991 7.480 -16.689 1.00 54.42 C ATOM 369 NH1 ARG B 7 18.830 8.790 -16.824 1.00 62.43 N ATOM 370 NH2 ARG B 7 20.094 6.901 -17.145 1.00 52.22 N ATOM 0 H ARG B 7 14.089 6.097 -17.019 1.00 54.33 H new ATOM 0 HA ARG B 7 13.990 4.572 -14.540 1.00 54.31 H new ATOM 0 HB2 ARG B 7 14.381 7.513 -15.215 1.00 72.53 H new ATOM 0 HB3 ARG B 7 14.339 6.900 -13.573 1.00 72.53 H new ATOM 0 HG2 ARG B 7 16.504 6.329 -13.682 1.00 4.15 H new ATOM 0 HG3 ARG B 7 16.206 5.306 -15.074 1.00 4.15 H new ATOM 0 HD2 ARG B 7 16.163 7.603 -16.397 1.00 33.25 H new ATOM 0 HD3 ARG B 7 17.030 8.209 -14.999 1.00 33.25 H new ATOM 0 HE ARG B 7 18.205 5.746 -16.011 1.00 11.21 H new ATOM 0 HH11 ARG B 7 17.983 9.238 -16.474 1.00 62.43 H new ATOM 0 HH12 ARG B 7 19.553 9.349 -17.277 1.00 62.43 H new ATOM 0 HH21 ARG B 7 20.221 5.894 -17.043 1.00 52.22 H new ATOM 0 HH22 ARG B 7 20.815 7.463 -17.598 1.00 52.22 H new ATOM 384 N LYS B 8 11.821 7.029 -14.926 1.00 32.31 N ATOM 385 CA LYS B 8 10.457 7.448 -14.625 1.00 41.44 C ATOM 386 C LYS B 8 9.451 6.674 -15.471 1.00 52.51 C ATOM 387 O LYS B 8 8.877 7.212 -16.419 1.00 2.22 O ATOM 388 CB LYS B 8 10.298 8.950 -14.872 1.00 11.44 C ATOM 389 CG LYS B 8 10.714 9.386 -16.266 1.00 73.31 C ATOM 390 CD LYS B 8 12.171 9.813 -16.305 1.00 63.15 C ATOM 391 CE LYS B 8 12.371 11.030 -17.195 1.00 4.40 C ATOM 392 NZ LYS B 8 11.925 12.284 -16.527 1.00 43.53 N ATOM 0 H LYS B 8 12.409 7.762 -15.323 1.00 32.31 H new ATOM 0 HA LYS B 8 10.261 7.235 -13.574 1.00 41.44 H new ATOM 0 HB2 LYS B 8 9.257 9.228 -14.709 1.00 11.44 H new ATOM 0 HB3 LYS B 8 10.892 9.495 -14.138 1.00 11.44 H new ATOM 0 HG2 LYS B 8 10.555 8.567 -16.967 1.00 73.31 H new ATOM 0 HG3 LYS B 8 10.083 10.212 -16.593 1.00 73.31 H new ATOM 0 HD2 LYS B 8 12.512 10.040 -15.295 1.00 63.15 H new ATOM 0 HD3 LYS B 8 12.783 8.989 -16.671 1.00 63.15 H new ATOM 0 HE2 LYS B 8 13.424 11.116 -17.462 1.00 4.40 H new ATOM 0 HE3 LYS B 8 11.816 10.896 -18.124 1.00 4.40 H new ATOM 0 HZ1 LYS B 8 11.820 13.037 -17.237 1.00 43.53 H new ATOM 0 HZ2 LYS B 8 11.012 12.121 -16.057 1.00 43.53 H new ATOM 0 HZ3 LYS B 8 12.632 12.571 -15.820 1.00 43.53 H new ATOM 406 N CYS B 9 9.240 5.410 -15.122 1.00 31.12 N ATOM 407 CA CYS B 9 8.302 4.562 -15.848 1.00 21.24 C ATOM 408 C CYS B 9 7.077 5.358 -16.289 1.00 4.34 C ATOM 409 O CYS B 9 6.158 5.612 -15.510 1.00 74.15 O ATOM 410 CB CYS B 9 7.870 3.381 -14.976 1.00 15.43 C ATOM 411 SG CYS B 9 9.247 2.333 -14.407 1.00 75.24 S ATOM 0 H CYS B 9 9.706 4.950 -14.340 1.00 31.12 H new ATOM 0 HA CYS B 9 8.806 4.184 -16.737 1.00 21.24 H new ATOM 0 HB2 CYS B 9 7.334 3.762 -14.107 1.00 15.43 H new ATOM 0 HB3 CYS B 9 7.168 2.766 -15.538 1.00 15.43 H new ATOM 0 HG CYS B 9 8.789 1.168 -14.055 1.00 75.24 H new ATOM 416 N PRO B 10 7.064 5.763 -17.567 1.00 72.34 N ATOM 417 CA PRO B 10 5.958 6.535 -18.142 1.00 3.44 C ATOM 418 C PRO B 10 4.686 5.707 -18.288 1.00 24.14 C ATOM 419 O PRO B 10 3.620 6.099 -17.812 1.00 52.03 O ATOM 420 CB PRO B 10 6.490 6.946 -19.517 1.00 55.40 C ATOM 421 CG PRO B 10 7.504 5.910 -19.857 1.00 21.35 C ATOM 422 CD PRO B 10 8.126 5.496 -18.551 1.00 43.35 C ATOM 0 HA PRO B 10 5.677 7.377 -17.509 1.00 3.44 H new ATOM 0 HB2 PRO B 10 5.691 6.976 -20.258 1.00 55.40 H new ATOM 0 HB3 PRO B 10 6.935 7.941 -19.488 1.00 55.40 H new ATOM 0 HG2 PRO B 10 7.040 5.059 -20.356 1.00 21.35 H new ATOM 0 HG3 PRO B 10 8.256 6.308 -20.539 1.00 21.35 H new ATOM 0 HD2 PRO B 10 8.412 4.444 -18.558 1.00 43.35 H new ATOM 0 HD3 PRO B 10 9.027 6.070 -18.335 1.00 43.35 H new ATOM 430 N LEU B 11 4.806 4.560 -18.947 1.00 74.10 N ATOM 431 CA LEU B 11 3.665 3.675 -19.155 1.00 73.02 C ATOM 432 C LEU B 11 3.749 2.454 -18.245 1.00 2.23 C ATOM 433 O LEU B 11 2.938 2.289 -17.333 1.00 42.21 O ATOM 434 CB LEU B 11 3.599 3.231 -20.618 1.00 13.14 C ATOM 435 CG LEU B 11 3.188 4.304 -21.627 1.00 32.13 C ATOM 436 CD1 LEU B 11 4.304 5.321 -21.809 1.00 60.53 C ATOM 437 CD2 LEU B 11 2.819 3.669 -22.960 1.00 20.04 C ATOM 0 H LEU B 11 5.681 4.221 -19.346 1.00 74.10 H new ATOM 0 HA LEU B 11 2.759 4.228 -18.908 1.00 73.02 H new ATOM 0 HB2 LEU B 11 4.578 2.847 -20.905 1.00 13.14 H new ATOM 0 HB3 LEU B 11 2.896 2.401 -20.694 1.00 13.14 H new ATOM 0 HG LEU B 11 2.311 4.823 -21.240 1.00 32.13 H new ATOM 0 HD11 LEU B 11 3.993 6.077 -22.531 1.00 60.53 H new ATOM 0 HD12 LEU B 11 4.520 5.799 -20.853 1.00 60.53 H new ATOM 0 HD13 LEU B 11 5.199 4.817 -22.174 1.00 60.53 H new ATOM 0 HD21 LEU B 11 2.529 4.447 -23.666 1.00 20.04 H new ATOM 0 HD22 LEU B 11 3.677 3.124 -23.353 1.00 20.04 H new ATOM 0 HD23 LEU B 11 1.986 2.980 -22.817 1.00 20.04 H new ATOM 449 N PHE B 12 4.737 1.602 -18.496 1.00 63.14 N ATOM 450 CA PHE B 12 4.929 0.396 -17.699 1.00 1.44 C ATOM 451 C PHE B 12 5.234 0.749 -16.246 1.00 32.44 C ATOM 452 O PHE B 12 6.377 0.659 -15.800 1.00 42.54 O ATOM 453 CB PHE B 12 6.064 -0.450 -18.279 1.00 42.40 C ATOM 454 CG PHE B 12 7.432 0.065 -17.934 1.00 43.43 C ATOM 455 CD1 PHE B 12 7.754 1.399 -18.128 1.00 63.04 C ATOM 456 CD2 PHE B 12 8.397 -0.784 -17.417 1.00 33.24 C ATOM 457 CE1 PHE B 12 9.012 1.876 -17.812 1.00 3.31 C ATOM 458 CE2 PHE B 12 9.656 -0.313 -17.098 1.00 1.51 C ATOM 459 CZ PHE B 12 9.965 1.019 -17.297 1.00 33.01 C ATOM 0 H PHE B 12 5.418 1.724 -19.246 1.00 63.14 H new ATOM 0 HA PHE B 12 4.005 -0.181 -17.729 1.00 1.44 H new ATOM 0 HB2 PHE B 12 5.967 -1.473 -17.915 1.00 42.40 H new ATOM 0 HB3 PHE B 12 5.961 -0.487 -19.364 1.00 42.40 H new ATOM 0 HD1 PHE B 12 7.013 2.074 -18.531 1.00 63.04 H new ATOM 0 HD2 PHE B 12 8.162 -1.827 -17.261 1.00 33.24 H new ATOM 0 HE1 PHE B 12 9.250 2.918 -17.968 1.00 3.31 H new ATOM 0 HE2 PHE B 12 10.398 -0.985 -16.693 1.00 1.51 H new ATOM 0 HZ PHE B 12 10.949 1.389 -17.050 1.00 33.01 H new ATOM 469 N GLY B 13 4.201 1.150 -15.511 1.00 12.12 N ATOM 470 CA GLY B 13 4.378 1.511 -14.116 1.00 70.43 C ATOM 471 C GLY B 13 3.460 0.732 -13.195 1.00 53.31 C ATOM 472 O GLY B 13 3.687 -0.449 -12.932 1.00 10.22 O ATOM 0 H GLY B 13 3.245 1.231 -15.857 1.00 12.12 H new ATOM 0 HA2 GLY B 13 5.414 1.334 -13.827 1.00 70.43 H new ATOM 0 HA3 GLY B 13 4.191 2.578 -13.993 1.00 70.43 H new ATOM 476 N LYS B 14 2.419 1.395 -12.702 1.00 21.04 N ATOM 477 CA LYS B 14 1.462 0.759 -11.804 1.00 4.14 C ATOM 478 C LYS B 14 1.071 -0.623 -12.316 1.00 60.20 C ATOM 479 O LYS B 14 0.764 -1.522 -11.534 1.00 15.31 O ATOM 480 CB LYS B 14 0.214 1.632 -11.654 1.00 61.33 C ATOM 481 CG LYS B 14 0.511 3.040 -11.169 1.00 31.00 C ATOM 482 CD LYS B 14 1.240 3.028 -9.836 1.00 10.31 C ATOM 483 CE LYS B 14 1.336 4.425 -9.241 1.00 33.23 C ATOM 484 NZ LYS B 14 0.535 4.552 -7.992 1.00 35.41 N ATOM 0 H LYS B 14 2.217 2.373 -12.909 1.00 21.04 H new ATOM 0 HA LYS B 14 1.937 0.645 -10.829 1.00 4.14 H new ATOM 0 HB2 LYS B 14 -0.297 1.688 -12.615 1.00 61.33 H new ATOM 0 HB3 LYS B 14 -0.472 1.153 -10.955 1.00 61.33 H new ATOM 0 HG2 LYS B 14 1.116 3.561 -11.911 1.00 31.00 H new ATOM 0 HG3 LYS B 14 -0.421 3.596 -11.070 1.00 31.00 H new ATOM 0 HD2 LYS B 14 0.718 2.370 -9.141 1.00 10.31 H new ATOM 0 HD3 LYS B 14 2.241 2.619 -9.971 1.00 10.31 H new ATOM 0 HE2 LYS B 14 2.379 4.658 -9.029 1.00 33.23 H new ATOM 0 HE3 LYS B 14 0.988 5.156 -9.971 1.00 33.23 H new ATOM 0 HZ1 LYS B 14 0.626 5.518 -7.618 1.00 35.41 H new ATOM 0 HZ2 LYS B 14 -0.465 4.354 -8.199 1.00 35.41 H new ATOM 0 HZ3 LYS B 14 0.883 3.873 -7.286 1.00 35.41 H new ATOM 498 N GLY B 15 1.086 -0.787 -13.636 1.00 1.44 N ATOM 499 CA GLY B 15 0.732 -2.063 -14.229 1.00 41.31 C ATOM 500 C GLY B 15 1.417 -3.230 -13.546 1.00 42.22 C ATOM 501 O GLY B 15 0.904 -4.348 -13.550 1.00 25.15 O ATOM 0 H GLY B 15 1.337 -0.059 -14.305 1.00 1.44 H new ATOM 0 HA2 GLY B 15 -0.348 -2.198 -14.175 1.00 41.31 H new ATOM 0 HA3 GLY B 15 1.000 -2.056 -15.285 1.00 41.31 H new ATOM 505 N GLY B 16 2.582 -2.970 -12.959 1.00 54.33 N ATOM 506 CA GLY B 16 3.320 -4.018 -12.279 1.00 50.32 C ATOM 507 C GLY B 16 4.697 -4.237 -12.874 1.00 53.14 C ATOM 508 O GLY B 16 5.275 -5.314 -12.736 1.00 64.53 O ATOM 0 H GLY B 16 3.027 -2.052 -12.943 1.00 54.33 H new ATOM 0 HA2 GLY B 16 3.420 -3.762 -11.224 1.00 50.32 H new ATOM 0 HA3 GLY B 16 2.754 -4.948 -12.329 1.00 50.32 H new TER 512 GLY B 16