USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=5 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 -106:sc= -17.3! USER MOD Set 1.2: B 9 CYS SG : rot -83:sc= -33.4! USER MOD Single : A 1 VAL N :NH3+ -161:sc= -0.0718 (180deg=-0.576) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ 143:sc= -0.0551 (180deg=-0.338) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.345) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.329 0.000 0.000 1.00 3.00 N ATOM 2 CA VAL A 1 2.094 -0.002 -1.242 1.00 12.15 C ATOM 3 C VAL A 1 3.229 -1.018 -1.186 1.00 72.34 C ATOM 4 O VAL A 1 3.845 -1.219 -0.141 1.00 25.14 O ATOM 5 CB VAL A 1 2.680 1.390 -1.542 1.00 2.43 C ATOM 6 CG1 VAL A 1 3.451 1.374 -2.853 1.00 72.00 C ATOM 7 CG2 VAL A 1 1.577 2.437 -1.575 1.00 73.12 C ATOM 0 H1 VAL A 1 0.401 0.439 -0.165 1.00 3.00 H new ATOM 0 H2 VAL A 1 1.197 -0.978 0.328 1.00 3.00 H new ATOM 0 H3 VAL A 1 1.844 0.541 0.724 1.00 3.00 H new ATOM 0 HA VAL A 1 1.403 -0.277 -2.039 1.00 12.15 H new ATOM 0 HB VAL A 1 3.374 1.652 -0.744 1.00 2.43 H new ATOM 0 HG11 VAL A 1 3.858 2.366 -3.048 1.00 72.00 H new ATOM 0 HG12 VAL A 1 4.267 0.654 -2.787 1.00 72.00 H new ATOM 0 HG13 VAL A 1 2.782 1.090 -3.665 1.00 72.00 H new ATOM 0 HG21 VAL A 1 2.010 3.415 -1.788 1.00 73.12 H new ATOM 0 HG22 VAL A 1 0.856 2.182 -2.352 1.00 73.12 H new ATOM 0 HG23 VAL A 1 1.074 2.466 -0.609 1.00 73.12 H new ATOM 17 N ALA A 2 3.499 -1.657 -2.320 1.00 45.31 N ATOM 18 CA ALA A 2 4.562 -2.651 -2.402 1.00 3.10 C ATOM 19 C ALA A 2 5.892 -2.074 -1.927 1.00 55.21 C ATOM 20 O ALA A 2 6.335 -2.347 -0.812 1.00 34.35 O ATOM 21 CB ALA A 2 4.689 -3.172 -3.826 1.00 4.40 C ATOM 0 H ALA A 2 2.996 -1.504 -3.194 1.00 45.31 H new ATOM 0 HA ALA A 2 4.301 -3.481 -1.745 1.00 3.10 H new ATOM 0 HB1 ALA A 2 5.487 -3.913 -3.872 1.00 4.40 H new ATOM 0 HB2 ALA A 2 3.749 -3.631 -4.131 1.00 4.40 H new ATOM 0 HB3 ALA A 2 4.923 -2.345 -4.496 1.00 4.40 H new ATOM 27 N ARG A 3 6.523 -1.275 -2.781 1.00 64.10 N ATOM 28 CA ARG A 3 7.803 -0.661 -2.449 1.00 23.22 C ATOM 29 C ARG A 3 7.703 0.861 -2.489 1.00 61.24 C ATOM 30 O ARG A 3 6.853 1.455 -1.828 1.00 11.01 O ATOM 31 CB ARG A 3 8.888 -1.138 -3.417 1.00 1.53 C ATOM 32 CG ARG A 3 9.176 -2.627 -3.323 1.00 44.01 C ATOM 33 CD ARG A 3 8.163 -3.441 -4.112 1.00 34.25 C ATOM 34 NE ARG A 3 8.773 -4.604 -4.751 1.00 52.33 N ATOM 35 CZ ARG A 3 8.103 -5.709 -5.059 1.00 43.24 C ATOM 36 NH1 ARG A 3 6.809 -5.801 -4.788 1.00 72.10 N ATOM 37 NH2 ARG A 3 8.729 -6.725 -5.641 1.00 13.43 N ATOM 0 H ARG A 3 6.169 -1.038 -3.708 1.00 64.10 H new ATOM 0 HA ARG A 3 8.071 -0.963 -1.437 1.00 23.22 H new ATOM 0 HB2 ARG A 3 8.584 -0.899 -4.436 1.00 1.53 H new ATOM 0 HB3 ARG A 3 9.807 -0.586 -3.220 1.00 1.53 H new ATOM 0 HG2 ARG A 3 10.179 -2.829 -3.699 1.00 44.01 H new ATOM 0 HG3 ARG A 3 9.159 -2.937 -2.278 1.00 44.01 H new ATOM 0 HD2 ARG A 3 7.365 -3.770 -3.446 1.00 34.25 H new ATOM 0 HD3 ARG A 3 7.704 -2.809 -4.872 1.00 34.25 H new ATOM 0 HE ARG A 3 9.768 -4.566 -4.973 1.00 52.33 H new ATOM 0 HH11 ARG A 3 6.325 -5.022 -4.342 1.00 72.10 H new ATOM 0 HH12 ARG A 3 6.297 -6.651 -5.026 1.00 72.10 H new ATOM 0 HH21 ARG A 3 9.725 -6.657 -5.852 1.00 13.43 H new ATOM 0 HH22 ARG A 3 8.214 -7.573 -5.877 1.00 13.43 H new ATOM 51 N GLY A 4 8.579 1.486 -3.271 1.00 13.03 N ATOM 52 CA GLY A 4 8.572 2.933 -3.383 1.00 24.15 C ATOM 53 C GLY A 4 8.594 3.403 -4.823 1.00 54.24 C ATOM 54 O GLY A 4 9.660 3.543 -5.422 1.00 22.21 O ATOM 0 H GLY A 4 9.293 1.016 -3.828 1.00 13.03 H new ATOM 0 HA2 GLY A 4 7.685 3.328 -2.889 1.00 24.15 H new ATOM 0 HA3 GLY A 4 9.437 3.339 -2.858 1.00 24.15 H new ATOM 58 N TRP A 5 7.413 3.646 -5.382 1.00 5.32 N ATOM 59 CA TRP A 5 7.301 4.102 -6.763 1.00 31.12 C ATOM 60 C TRP A 5 7.972 5.459 -6.945 1.00 31.14 C ATOM 61 O TRP A 5 7.355 6.502 -6.727 1.00 2.13 O ATOM 62 CB TRP A 5 5.830 4.187 -7.175 1.00 65.22 C ATOM 63 CG TRP A 5 5.006 3.038 -6.677 1.00 5.54 C ATOM 64 CD1 TRP A 5 3.711 3.085 -6.245 1.00 45.33 C ATOM 65 CD2 TRP A 5 5.422 1.674 -6.556 1.00 65.21 C ATOM 66 NE1 TRP A 5 3.297 1.832 -5.864 1.00 24.20 N ATOM 67 CE2 TRP A 5 4.328 0.948 -6.046 1.00 2.22 C ATOM 68 CE3 TRP A 5 6.612 0.994 -6.832 1.00 32.24 C ATOM 69 CZ2 TRP A 5 4.391 -0.422 -5.805 1.00 50.33 C ATOM 70 CZ3 TRP A 5 6.673 -0.366 -6.592 1.00 54.20 C ATOM 71 CH2 TRP A 5 5.568 -1.062 -6.084 1.00 32.01 C ATOM 0 H TRP A 5 6.521 3.535 -4.901 1.00 5.32 H new ATOM 0 HA TRP A 5 7.809 3.379 -7.401 1.00 31.12 H new ATOM 0 HB2 TRP A 5 5.408 5.118 -6.797 1.00 65.22 H new ATOM 0 HB3 TRP A 5 5.766 4.226 -8.262 1.00 65.22 H new ATOM 0 HD1 TRP A 5 3.102 3.976 -6.208 1.00 45.33 H new ATOM 0 HE1 TRP A 5 2.372 1.598 -5.504 1.00 24.20 H new ATOM 0 HE3 TRP A 5 7.468 1.522 -7.226 1.00 32.24 H new ATOM 0 HZ2 TRP A 5 3.541 -0.960 -5.412 1.00 50.33 H new ATOM 0 HZ3 TRP A 5 7.588 -0.901 -6.800 1.00 54.20 H new ATOM 0 HH2 TRP A 5 5.647 -2.125 -5.909 1.00 32.01 H new ATOM 82 N LYS A 6 9.238 5.439 -7.346 1.00 25.15 N ATOM 83 CA LYS A 6 9.994 6.668 -7.559 1.00 34.15 C ATOM 84 C LYS A 6 10.411 6.804 -9.019 1.00 70.23 C ATOM 85 O LYS A 6 9.567 6.844 -9.915 1.00 32.24 O ATOM 86 CB LYS A 6 11.231 6.693 -6.659 1.00 65.40 C ATOM 87 CG LYS A 6 10.909 6.607 -5.177 1.00 75.54 C ATOM 88 CD LYS A 6 11.871 5.683 -4.450 1.00 33.34 C ATOM 89 CE LYS A 6 13.211 6.357 -4.203 1.00 5.15 C ATOM 90 NZ LYS A 6 13.913 5.781 -3.022 1.00 60.32 N ATOM 0 H LYS A 6 9.763 4.584 -7.530 1.00 25.15 H new ATOM 0 HA LYS A 6 9.350 7.510 -7.304 1.00 34.15 H new ATOM 0 HB2 LYS A 6 11.883 5.862 -6.929 1.00 65.40 H new ATOM 0 HB3 LYS A 6 11.789 7.610 -6.848 1.00 65.40 H new ATOM 0 HG2 LYS A 6 10.955 7.602 -4.735 1.00 75.54 H new ATOM 0 HG3 LYS A 6 9.888 6.247 -5.046 1.00 75.54 H new ATOM 0 HD2 LYS A 6 11.435 5.378 -3.499 1.00 33.34 H new ATOM 0 HD3 LYS A 6 12.021 4.777 -5.037 1.00 33.34 H new ATOM 0 HE2 LYS A 6 13.840 6.250 -5.087 1.00 5.15 H new ATOM 0 HE3 LYS A 6 13.057 7.425 -4.049 1.00 5.15 H new ATOM 0 HZ1 LYS A 6 14.822 6.267 -2.887 1.00 60.32 H new ATOM 0 HZ2 LYS A 6 13.325 5.906 -2.174 1.00 60.32 H new ATOM 0 HZ3 LYS A 6 14.083 4.767 -3.180 1.00 60.32 H new ATOM 104 N ARG A 7 11.717 6.873 -9.253 1.00 25.12 N ATOM 105 CA ARG A 7 12.246 7.004 -10.605 1.00 60.22 C ATOM 106 C ARG A 7 12.283 5.650 -11.308 1.00 30.10 C ATOM 107 O ARG A 7 11.368 5.300 -12.053 1.00 73.52 O ATOM 108 CB ARG A 7 13.650 7.611 -10.570 1.00 72.25 C ATOM 109 CG ARG A 7 13.659 9.112 -10.331 1.00 75.23 C ATOM 110 CD ARG A 7 14.347 9.463 -9.022 1.00 2.22 C ATOM 111 NE ARG A 7 15.774 9.714 -9.204 1.00 23.10 N ATOM 112 CZ ARG A 7 16.615 9.939 -8.200 1.00 60.43 C ATOM 113 NH1 ARG A 7 16.174 9.943 -6.950 1.00 52.30 N ATOM 114 NH2 ARG A 7 17.900 10.159 -8.446 1.00 62.34 N ATOM 0 H ARG A 7 12.429 6.840 -8.523 1.00 25.12 H new ATOM 0 HA ARG A 7 11.585 7.666 -11.164 1.00 60.22 H new ATOM 0 HB2 ARG A 7 14.228 7.123 -9.785 1.00 72.25 H new ATOM 0 HB3 ARG A 7 14.152 7.399 -11.514 1.00 72.25 H new ATOM 0 HG2 ARG A 7 14.168 9.610 -11.156 1.00 75.23 H new ATOM 0 HG3 ARG A 7 12.635 9.485 -10.317 1.00 75.23 H new ATOM 0 HD2 ARG A 7 13.876 10.346 -8.590 1.00 2.22 H new ATOM 0 HD3 ARG A 7 14.210 8.649 -8.311 1.00 2.22 H new ATOM 0 HE ARG A 7 16.146 9.717 -10.154 1.00 23.10 H new ATOM 0 HH11 ARG A 7 15.187 9.773 -6.757 1.00 52.30 H new ATOM 0 HH12 ARG A 7 16.822 10.116 -6.181 1.00 52.30 H new ATOM 0 HH21 ARG A 7 18.243 10.156 -9.407 1.00 62.34 H new ATOM 0 HH22 ARG A 7 18.545 10.332 -7.675 1.00 62.34 H new ATOM 128 N LYS A 8 13.347 4.892 -11.066 1.00 4.40 N ATOM 129 CA LYS A 8 13.505 3.577 -11.674 1.00 31.50 C ATOM 130 C LYS A 8 12.458 2.603 -11.142 1.00 64.40 C ATOM 131 O LYS A 8 12.739 1.799 -10.252 1.00 51.01 O ATOM 132 CB LYS A 8 14.909 3.031 -11.403 1.00 11.43 C ATOM 133 CG LYS A 8 15.928 3.425 -12.458 1.00 25.34 C ATOM 134 CD LYS A 8 16.414 4.851 -12.260 1.00 30.24 C ATOM 135 CE LYS A 8 17.398 4.949 -11.104 1.00 10.20 C ATOM 136 NZ LYS A 8 17.133 6.140 -10.250 1.00 32.35 N ATOM 0 H LYS A 8 14.114 5.167 -10.452 1.00 4.40 H new ATOM 0 HA LYS A 8 13.365 3.683 -12.750 1.00 31.50 H new ATOM 0 HB2 LYS A 8 15.248 3.389 -10.431 1.00 11.43 H new ATOM 0 HB3 LYS A 8 14.862 1.944 -11.343 1.00 11.43 H new ATOM 0 HG2 LYS A 8 16.776 2.742 -12.418 1.00 25.34 H new ATOM 0 HG3 LYS A 8 15.484 3.325 -13.449 1.00 25.34 H new ATOM 0 HD2 LYS A 8 16.889 5.205 -13.175 1.00 30.24 H new ATOM 0 HD3 LYS A 8 15.562 5.504 -12.070 1.00 30.24 H new ATOM 0 HE2 LYS A 8 17.336 4.046 -10.497 1.00 10.20 H new ATOM 0 HE3 LYS A 8 18.414 5.001 -11.495 1.00 10.20 H new ATOM 0 HZ1 LYS A 8 17.824 6.171 -9.474 1.00 32.35 H new ATOM 0 HZ2 LYS A 8 17.217 7.004 -10.823 1.00 32.35 H new ATOM 0 HZ3 LYS A 8 16.173 6.078 -9.856 1.00 32.35 H new ATOM 150 N CYS A 9 11.252 2.678 -11.693 1.00 52.44 N ATOM 151 CA CYS A 9 10.163 1.803 -11.276 1.00 2.33 C ATOM 152 C CYS A 9 10.669 0.384 -11.034 1.00 74.22 C ATOM 153 O CYS A 9 10.906 -0.384 -11.967 1.00 24.34 O ATOM 154 CB CYS A 9 9.057 1.790 -12.333 1.00 25.30 C ATOM 155 SG CYS A 9 9.669 1.834 -14.049 1.00 35.14 S ATOM 0 H CYS A 9 11.003 3.337 -12.431 1.00 52.44 H new ATOM 0 HA CYS A 9 9.757 2.189 -10.341 1.00 2.33 H new ATOM 0 HB2 CYS A 9 8.450 0.895 -12.198 1.00 25.30 H new ATOM 0 HB3 CYS A 9 8.403 2.646 -12.170 1.00 25.30 H new ATOM 0 HG CYS A 9 9.465 3.015 -14.552 1.00 35.14 H new ATOM 160 N PRO A 10 10.837 0.026 -9.753 1.00 33.34 N ATOM 161 CA PRO A 10 11.314 -1.303 -9.358 1.00 4.20 C ATOM 162 C PRO A 10 10.284 -2.394 -9.630 1.00 1.33 C ATOM 163 O PRO A 10 10.574 -3.380 -10.308 1.00 33.31 O ATOM 164 CB PRO A 10 11.558 -1.160 -7.853 1.00 54.15 C ATOM 165 CG PRO A 10 10.650 -0.059 -7.426 1.00 13.21 C ATOM 166 CD PRO A 10 10.573 0.890 -8.590 1.00 12.00 C ATOM 0 HA PRO A 10 12.199 -1.602 -9.920 1.00 4.20 H new ATOM 0 HB2 PRO A 10 11.332 -2.087 -7.325 1.00 54.15 H new ATOM 0 HB3 PRO A 10 12.600 -0.919 -7.642 1.00 54.15 H new ATOM 0 HG2 PRO A 10 9.663 -0.444 -7.171 1.00 13.21 H new ATOM 0 HG3 PRO A 10 11.036 0.443 -6.538 1.00 13.21 H new ATOM 0 HD2 PRO A 10 9.594 1.366 -8.657 1.00 12.00 H new ATOM 0 HD3 PRO A 10 11.310 1.688 -8.507 1.00 12.00 H new ATOM 174 N LEU A 11 9.081 -2.210 -9.097 1.00 71.34 N ATOM 175 CA LEU A 11 8.006 -3.179 -9.283 1.00 63.23 C ATOM 176 C LEU A 11 7.064 -2.740 -10.399 1.00 52.22 C ATOM 177 O LEU A 11 6.984 -3.381 -11.447 1.00 43.13 O ATOM 178 CB LEU A 11 7.224 -3.359 -7.981 1.00 23.11 C ATOM 179 CG LEU A 11 6.371 -4.624 -7.880 1.00 12.33 C ATOM 180 CD1 LEU A 11 5.173 -4.535 -8.812 1.00 71.45 C ATOM 181 CD2 LEU A 11 7.205 -5.857 -8.195 1.00 51.22 C ATOM 0 H LEU A 11 8.825 -1.399 -8.533 1.00 71.34 H new ATOM 0 HA LEU A 11 8.454 -4.132 -9.565 1.00 63.23 H new ATOM 0 HB2 LEU A 11 7.932 -3.355 -7.152 1.00 23.11 H new ATOM 0 HB3 LEU A 11 6.573 -2.495 -7.849 1.00 23.11 H new ATOM 0 HG LEU A 11 6.004 -4.711 -6.857 1.00 12.33 H new ATOM 0 HD11 LEU A 11 4.577 -5.444 -8.727 1.00 71.45 H new ATOM 0 HD12 LEU A 11 4.563 -3.674 -8.539 1.00 71.45 H new ATOM 0 HD13 LEU A 11 5.519 -4.423 -9.840 1.00 71.45 H new ATOM 0 HD21 LEU A 11 6.581 -6.748 -8.118 1.00 51.22 H new ATOM 0 HD22 LEU A 11 7.602 -5.779 -9.207 1.00 51.22 H new ATOM 0 HD23 LEU A 11 8.030 -5.929 -7.486 1.00 51.22 H new ATOM 193 N PHE A 12 6.353 -1.641 -10.168 1.00 33.43 N ATOM 194 CA PHE A 12 5.416 -1.115 -11.154 1.00 2.11 C ATOM 195 C PHE A 12 6.148 -0.677 -12.419 1.00 41.11 C ATOM 196 O PHE A 12 6.355 0.514 -12.649 1.00 22.21 O ATOM 197 CB PHE A 12 4.636 0.064 -10.569 1.00 35.33 C ATOM 198 CG PHE A 12 5.423 1.342 -10.525 1.00 61.11 C ATOM 199 CD1 PHE A 12 6.626 1.407 -9.841 1.00 21.12 C ATOM 200 CD2 PHE A 12 4.960 2.479 -11.168 1.00 20.31 C ATOM 201 CE1 PHE A 12 7.354 2.581 -9.799 1.00 14.41 C ATOM 202 CE2 PHE A 12 5.683 3.656 -11.130 1.00 23.22 C ATOM 203 CZ PHE A 12 6.881 3.708 -10.444 1.00 31.45 C ATOM 0 H PHE A 12 6.408 -1.097 -9.307 1.00 33.43 H new ATOM 0 HA PHE A 12 4.718 -1.910 -11.416 1.00 2.11 H new ATOM 0 HB2 PHE A 12 3.735 0.222 -11.161 1.00 35.33 H new ATOM 0 HB3 PHE A 12 4.314 -0.190 -9.559 1.00 35.33 H new ATOM 0 HD1 PHE A 12 7.000 0.529 -9.334 1.00 21.12 H new ATOM 0 HD2 PHE A 12 4.024 2.445 -11.705 1.00 20.31 H new ATOM 0 HE1 PHE A 12 8.291 2.618 -9.263 1.00 14.41 H new ATOM 0 HE2 PHE A 12 5.312 4.535 -11.636 1.00 23.22 H new ATOM 0 HZ PHE A 12 7.447 4.627 -10.412 1.00 31.45 H new ATOM 213 N GLY A 13 6.538 -1.650 -13.237 1.00 50.12 N ATOM 214 CA GLY A 13 7.243 -1.346 -14.469 1.00 0.33 C ATOM 215 C GLY A 13 6.596 -1.987 -15.681 1.00 3.35 C ATOM 216 O GLY A 13 5.504 -1.594 -16.092 1.00 22.22 O ATOM 0 H GLY A 13 6.378 -2.643 -13.069 1.00 50.12 H new ATOM 0 HA2 GLY A 13 7.276 -0.265 -14.608 1.00 0.33 H new ATOM 0 HA3 GLY A 13 8.274 -1.689 -14.388 1.00 0.33 H new ATOM 220 N LYS A 14 7.272 -2.976 -16.256 1.00 11.40 N ATOM 221 CA LYS A 14 6.758 -3.673 -17.429 1.00 32.13 C ATOM 222 C LYS A 14 5.300 -4.073 -17.228 1.00 34.31 C ATOM 223 O LYS A 14 4.563 -4.274 -18.192 1.00 75.21 O ATOM 224 CB LYS A 14 7.603 -4.915 -17.720 1.00 61.03 C ATOM 225 CG LYS A 14 8.915 -4.607 -18.422 1.00 33.14 C ATOM 226 CD LYS A 14 10.091 -5.263 -17.718 1.00 11.44 C ATOM 227 CE LYS A 14 11.382 -4.495 -17.957 1.00 61.45 C ATOM 228 NZ LYS A 14 12.576 -5.268 -17.517 1.00 65.33 N ATOM 0 H LYS A 14 8.177 -3.313 -15.929 1.00 11.40 H new ATOM 0 HA LYS A 14 6.816 -2.994 -18.279 1.00 32.13 H new ATOM 0 HB2 LYS A 14 7.814 -5.428 -16.782 1.00 61.03 H new ATOM 0 HB3 LYS A 14 7.023 -5.602 -18.336 1.00 61.03 H new ATOM 0 HG2 LYS A 14 8.867 -4.955 -19.454 1.00 33.14 H new ATOM 0 HG3 LYS A 14 9.066 -3.528 -18.456 1.00 33.14 H new ATOM 0 HD2 LYS A 14 9.892 -5.318 -16.648 1.00 11.44 H new ATOM 0 HD3 LYS A 14 10.204 -6.287 -18.074 1.00 11.44 H new ATOM 0 HE2 LYS A 14 11.473 -4.258 -19.017 1.00 61.45 H new ATOM 0 HE3 LYS A 14 11.345 -3.547 -17.421 1.00 61.45 H new ATOM 0 HZ1 LYS A 14 13.436 -4.711 -17.696 1.00 65.33 H new ATOM 0 HZ2 LYS A 14 12.502 -5.472 -16.500 1.00 65.33 H new ATOM 0 HZ3 LYS A 14 12.626 -6.162 -18.047 1.00 65.33 H new ATOM 242 N GLY A 15 4.889 -4.186 -15.968 1.00 65.21 N ATOM 243 CA GLY A 15 3.521 -4.560 -15.664 1.00 73.53 C ATOM 244 C GLY A 15 2.517 -3.869 -16.565 1.00 51.21 C ATOM 245 O GLY A 15 1.453 -4.414 -16.855 1.00 31.24 O ATOM 0 H GLY A 15 5.480 -4.025 -15.153 1.00 65.21 H new ATOM 0 HA2 GLY A 15 3.412 -5.640 -15.765 1.00 73.53 H new ATOM 0 HA3 GLY A 15 3.302 -4.313 -14.625 1.00 73.53 H new ATOM 249 N GLY A 16 2.855 -2.662 -17.009 1.00 2.21 N ATOM 250 CA GLY A 16 1.964 -1.914 -17.876 1.00 11.41 C ATOM 251 C GLY A 16 2.082 -2.332 -19.328 1.00 55.21 C ATOM 252 O GLY A 16 1.112 -2.792 -19.929 1.00 52.45 O ATOM 0 H GLY A 16 3.730 -2.189 -16.783 1.00 2.21 H new ATOM 0 HA2 GLY A 16 0.936 -2.054 -17.543 1.00 11.41 H new ATOM 0 HA3 GLY A 16 2.185 -0.850 -17.788 1.00 11.41 H new TER 256 GLY A 16 ATOM 257 N VAL B 1 7.843 -2.191 -28.511 1.00 12.14 N ATOM 258 CA VAL B 1 7.818 -1.288 -27.366 1.00 53.54 C ATOM 259 C VAL B 1 6.928 -0.080 -27.639 1.00 34.20 C ATOM 260 O VAL B 1 6.843 0.399 -28.769 1.00 44.22 O ATOM 261 CB VAL B 1 9.233 -0.797 -27.007 1.00 71.40 C ATOM 262 CG1 VAL B 1 9.880 -0.113 -28.201 1.00 43.40 C ATOM 263 CG2 VAL B 1 9.184 0.137 -25.808 1.00 1.22 C ATOM 0 H1 VAL B 1 8.797 -2.592 -28.616 1.00 12.14 H new ATOM 0 H2 VAL B 1 7.159 -2.960 -28.362 1.00 12.14 H new ATOM 0 H3 VAL B 1 7.591 -1.666 -29.373 1.00 12.14 H new ATOM 0 HA VAL B 1 7.413 -1.853 -26.526 1.00 53.54 H new ATOM 0 HB VAL B 1 9.842 -1.661 -26.741 1.00 71.40 H new ATOM 0 HG11 VAL B 1 10.879 0.227 -27.928 1.00 43.40 H new ATOM 0 HG12 VAL B 1 9.950 -0.817 -29.030 1.00 43.40 H new ATOM 0 HG13 VAL B 1 9.275 0.742 -28.502 1.00 43.40 H new ATOM 0 HG21 VAL B 1 10.192 0.474 -25.568 1.00 1.22 H new ATOM 0 HG22 VAL B 1 8.559 0.999 -26.043 1.00 1.22 H new ATOM 0 HG23 VAL B 1 8.765 -0.392 -24.952 1.00 1.22 H new ATOM 273 N ALA B 2 6.265 0.407 -26.595 1.00 51.11 N ATOM 274 CA ALA B 2 5.383 1.561 -26.721 1.00 73.41 C ATOM 275 C ALA B 2 6.183 2.851 -26.862 1.00 72.02 C ATOM 276 O ALA B 2 6.178 3.483 -27.919 1.00 14.35 O ATOM 277 CB ALA B 2 4.449 1.644 -25.522 1.00 43.54 C ATOM 0 H ALA B 2 6.322 0.020 -25.653 1.00 51.11 H new ATOM 0 HA ALA B 2 4.786 1.435 -27.624 1.00 73.41 H new ATOM 0 HB1 ALA B 2 3.796 2.510 -25.629 1.00 43.54 H new ATOM 0 HB2 ALA B 2 3.845 0.738 -25.468 1.00 43.54 H new ATOM 0 HB3 ALA B 2 5.037 1.743 -24.609 1.00 43.54 H new ATOM 283 N ARG B 3 6.869 3.236 -25.791 1.00 50.43 N ATOM 284 CA ARG B 3 7.672 4.453 -25.796 1.00 24.02 C ATOM 285 C ARG B 3 9.138 4.138 -25.512 1.00 21.51 C ATOM 286 O ARG B 3 9.767 3.362 -26.231 1.00 4.43 O ATOM 287 CB ARG B 3 7.142 5.444 -24.757 1.00 64.55 C ATOM 288 CG ARG B 3 5.690 5.836 -24.975 1.00 62.44 C ATOM 289 CD ARG B 3 5.470 6.405 -26.368 1.00 51.30 C ATOM 290 NE ARG B 3 4.241 7.190 -26.450 1.00 41.22 N ATOM 291 CZ ARG B 3 4.140 8.444 -26.024 1.00 2.22 C ATOM 292 NH1 ARG B 3 5.190 9.052 -25.488 1.00 53.45 N ATOM 293 NH2 ARG B 3 2.988 9.093 -26.133 1.00 33.31 N ATOM 0 H ARG B 3 6.885 2.723 -24.909 1.00 50.43 H new ATOM 0 HA ARG B 3 7.599 4.902 -26.787 1.00 24.02 H new ATOM 0 HB2 ARG B 3 7.246 5.007 -23.764 1.00 64.55 H new ATOM 0 HB3 ARG B 3 7.759 6.342 -24.776 1.00 64.55 H new ATOM 0 HG2 ARG B 3 5.051 4.965 -24.832 1.00 62.44 H new ATOM 0 HG3 ARG B 3 5.395 6.574 -24.229 1.00 62.44 H new ATOM 0 HD2 ARG B 3 6.319 7.031 -26.642 1.00 51.30 H new ATOM 0 HD3 ARG B 3 5.428 5.590 -27.090 1.00 51.30 H new ATOM 0 HE ARG B 3 3.415 6.751 -26.857 1.00 41.22 H new ATOM 0 HH11 ARG B 3 6.077 8.556 -25.402 1.00 53.45 H new ATOM 0 HH12 ARG B 3 5.110 10.015 -25.162 1.00 53.45 H new ATOM 0 HH21 ARG B 3 2.178 8.629 -26.544 1.00 33.31 H new ATOM 0 HH22 ARG B 3 2.912 10.056 -25.805 1.00 33.31 H new ATOM 307 N GLY B 4 9.676 4.745 -24.458 1.00 52.04 N ATOM 308 CA GLY B 4 11.063 4.517 -24.098 1.00 60.15 C ATOM 309 C GLY B 4 11.233 4.181 -22.630 1.00 64.12 C ATOM 310 O GLY B 4 11.555 5.051 -21.821 1.00 62.00 O ATOM 0 H GLY B 4 9.176 5.391 -23.847 1.00 52.04 H new ATOM 0 HA2 GLY B 4 11.463 3.703 -24.703 1.00 60.15 H new ATOM 0 HA3 GLY B 4 11.647 5.406 -24.334 1.00 60.15 H new ATOM 314 N TRP B 5 11.016 2.917 -22.285 1.00 52.13 N ATOM 315 CA TRP B 5 11.146 2.469 -20.903 1.00 74.04 C ATOM 316 C TRP B 5 12.501 2.865 -20.328 1.00 31.31 C ATOM 317 O TRP B 5 13.504 2.186 -20.551 1.00 52.23 O ATOM 318 CB TRP B 5 10.965 0.953 -20.818 1.00 74.42 C ATOM 319 CG TRP B 5 9.834 0.441 -21.659 1.00 42.21 C ATOM 320 CD1 TRP B 5 9.793 -0.737 -22.348 1.00 21.41 C ATOM 321 CD2 TRP B 5 8.583 1.093 -21.901 1.00 51.51 C ATOM 322 NE1 TRP B 5 8.591 -0.857 -23.004 1.00 24.05 N ATOM 323 CE2 TRP B 5 7.831 0.253 -22.745 1.00 20.52 C ATOM 324 CE3 TRP B 5 8.023 2.305 -21.486 1.00 25.34 C ATOM 325 CZ2 TRP B 5 6.551 0.587 -23.180 1.00 24.21 C ATOM 326 CZ3 TRP B 5 6.753 2.635 -21.919 1.00 5.24 C ATOM 327 CH2 TRP B 5 6.028 1.779 -22.758 1.00 24.21 C ATOM 0 H TRP B 5 10.749 2.184 -22.943 1.00 52.13 H new ATOM 0 HA TRP B 5 10.367 2.954 -20.315 1.00 74.04 H new ATOM 0 HB2 TRP B 5 11.889 0.466 -21.129 1.00 74.42 H new ATOM 0 HB3 TRP B 5 10.791 0.673 -19.779 1.00 74.42 H new ATOM 0 HD1 TRP B 5 10.588 -1.467 -22.374 1.00 21.41 H new ATOM 0 HE1 TRP B 5 8.311 -1.644 -23.589 1.00 24.05 H new ATOM 0 HE3 TRP B 5 8.573 2.971 -20.838 1.00 25.34 H new ATOM 0 HZ2 TRP B 5 5.991 -0.071 -23.827 1.00 24.21 H new ATOM 0 HZ3 TRP B 5 6.312 3.569 -21.605 1.00 5.24 H new ATOM 0 HH2 TRP B 5 5.037 2.065 -23.078 1.00 24.21 H new ATOM 338 N LYS B 6 12.525 3.966 -19.586 1.00 12.44 N ATOM 339 CA LYS B 6 13.757 4.452 -18.976 1.00 40.31 C ATOM 340 C LYS B 6 13.621 4.526 -17.459 1.00 10.44 C ATOM 341 O LYS B 6 13.404 3.512 -16.795 1.00 50.23 O ATOM 342 CB LYS B 6 14.117 5.831 -19.534 1.00 63.03 C ATOM 343 CG LYS B 6 14.360 5.835 -21.034 1.00 5.54 C ATOM 344 CD LYS B 6 13.718 7.041 -21.699 1.00 41.10 C ATOM 345 CE LYS B 6 14.463 8.325 -21.365 1.00 72.42 C ATOM 346 NZ LYS B 6 13.885 9.501 -22.073 1.00 24.13 N ATOM 0 H LYS B 6 11.704 4.540 -19.392 1.00 12.44 H new ATOM 0 HA LYS B 6 14.554 3.749 -19.218 1.00 40.31 H new ATOM 0 HB2 LYS B 6 13.312 6.529 -19.303 1.00 63.03 H new ATOM 0 HB3 LYS B 6 15.011 6.196 -19.028 1.00 63.03 H new ATOM 0 HG2 LYS B 6 15.432 5.838 -21.230 1.00 5.54 H new ATOM 0 HG3 LYS B 6 13.959 4.921 -21.471 1.00 5.54 H new ATOM 0 HD2 LYS B 6 13.704 6.898 -22.779 1.00 41.10 H new ATOM 0 HD3 LYS B 6 12.681 7.127 -21.376 1.00 41.10 H new ATOM 0 HE2 LYS B 6 14.428 8.496 -20.289 1.00 72.42 H new ATOM 0 HE3 LYS B 6 15.513 8.217 -21.637 1.00 72.42 H new ATOM 0 HZ1 LYS B 6 14.420 10.356 -21.819 1.00 24.13 H new ATOM 0 HZ2 LYS B 6 13.941 9.350 -23.100 1.00 24.13 H new ATOM 0 HZ3 LYS B 6 12.890 9.620 -21.794 1.00 24.13 H new ATOM 360 N ARG B 7 13.749 5.733 -16.916 1.00 35.33 N ATOM 361 CA ARG B 7 13.639 5.938 -15.477 1.00 4.35 C ATOM 362 C ARG B 7 12.183 6.133 -15.064 1.00 3.00 C ATOM 363 O ARG B 7 11.525 5.197 -14.609 1.00 11.51 O ATOM 364 CB ARG B 7 14.468 7.151 -15.049 1.00 24.33 C ATOM 365 CG ARG B 7 15.969 6.922 -15.131 1.00 51.42 C ATOM 366 CD ARG B 7 16.504 7.233 -16.520 1.00 60.44 C ATOM 367 NE ARG B 7 17.538 8.264 -16.491 1.00 21.51 N ATOM 368 CZ ARG B 7 18.047 8.825 -17.582 1.00 1.22 C ATOM 369 NH1 ARG B 7 17.620 8.458 -18.782 1.00 34.42 N ATOM 370 NH2 ARG B 7 18.986 9.757 -17.473 1.00 74.15 N ATOM 0 H ARG B 7 13.929 6.583 -17.451 1.00 35.33 H new ATOM 0 HA ARG B 7 14.024 5.048 -14.979 1.00 4.35 H new ATOM 0 HB2 ARG B 7 14.204 8.001 -15.678 1.00 24.33 H new ATOM 0 HB3 ARG B 7 14.205 7.417 -14.025 1.00 24.33 H new ATOM 0 HG2 ARG B 7 16.475 7.549 -14.396 1.00 51.42 H new ATOM 0 HG3 ARG B 7 16.195 5.887 -14.876 1.00 51.42 H new ATOM 0 HD2 ARG B 7 16.911 6.324 -16.963 1.00 60.44 H new ATOM 0 HD3 ARG B 7 15.684 7.560 -17.159 1.00 60.44 H new ATOM 0 HE ARG B 7 17.888 8.570 -15.583 1.00 21.51 H new ATOM 0 HH11 ARG B 7 16.898 7.743 -18.870 1.00 34.42 H new ATOM 0 HH12 ARG B 7 18.013 8.891 -19.618 1.00 34.42 H new ATOM 0 HH21 ARG B 7 19.317 10.042 -16.551 1.00 74.15 H new ATOM 0 HH22 ARG B 7 19.377 10.188 -18.311 1.00 74.15 H new ATOM 384 N LYS B 8 11.686 7.355 -15.226 1.00 24.34 N ATOM 385 CA LYS B 8 10.309 7.674 -14.871 1.00 75.23 C ATOM 386 C LYS B 8 9.328 6.888 -15.736 1.00 64.42 C ATOM 387 O LYS B 8 8.791 7.409 -16.714 1.00 13.04 O ATOM 388 CB LYS B 8 10.054 9.175 -15.029 1.00 61.41 C ATOM 389 CG LYS B 8 10.435 9.988 -13.804 1.00 45.14 C ATOM 390 CD LYS B 8 11.944 10.073 -13.639 1.00 35.23 C ATOM 391 CE LYS B 8 12.383 11.473 -13.239 1.00 15.10 C ATOM 392 NZ LYS B 8 11.854 11.859 -11.901 1.00 41.54 N ATOM 0 H LYS B 8 12.217 8.141 -15.601 1.00 24.34 H new ATOM 0 HA LYS B 8 10.155 7.393 -13.829 1.00 75.23 H new ATOM 0 HB2 LYS B 8 10.616 9.542 -15.888 1.00 61.41 H new ATOM 0 HB3 LYS B 8 8.998 9.335 -15.247 1.00 61.41 H new ATOM 0 HG2 LYS B 8 10.020 10.992 -13.889 1.00 45.14 H new ATOM 0 HG3 LYS B 8 9.996 9.536 -12.915 1.00 45.14 H new ATOM 0 HD2 LYS B 8 12.269 9.359 -12.883 1.00 35.23 H new ATOM 0 HD3 LYS B 8 12.430 9.791 -14.573 1.00 35.23 H new ATOM 0 HE2 LYS B 8 13.472 11.523 -13.227 1.00 15.10 H new ATOM 0 HE3 LYS B 8 12.039 12.189 -13.986 1.00 15.10 H new ATOM 0 HZ1 LYS B 8 11.273 12.717 -11.992 1.00 41.54 H new ATOM 0 HZ2 LYS B 8 11.272 11.085 -11.521 1.00 41.54 H new ATOM 0 HZ3 LYS B 8 12.647 12.045 -11.255 1.00 41.54 H new ATOM 406 N CYS B 9 9.099 5.631 -15.370 1.00 1.12 N ATOM 407 CA CYS B 9 8.183 4.773 -16.111 1.00 32.10 C ATOM 408 C CYS B 9 6.956 5.556 -16.571 1.00 22.43 C ATOM 409 O CYS B 9 6.021 5.798 -15.807 1.00 62.31 O ATOM 410 CB CYS B 9 7.750 3.587 -15.247 1.00 22.31 C ATOM 411 SG CYS B 9 9.123 2.510 -14.721 1.00 55.22 S ATOM 0 H CYS B 9 9.536 5.184 -14.564 1.00 1.12 H new ATOM 0 HA CYS B 9 8.706 4.401 -16.992 1.00 32.10 H new ATOM 0 HB2 CYS B 9 7.238 3.964 -14.362 1.00 22.31 H new ATOM 0 HB3 CYS B 9 7.027 2.991 -15.803 1.00 22.31 H new ATOM 0 HG CYS B 9 9.397 1.662 -15.668 1.00 55.22 H new ATOM 416 N PRO B 10 6.958 5.961 -17.849 1.00 41.13 N ATOM 417 CA PRO B 10 5.853 6.721 -18.440 1.00 50.43 C ATOM 418 C PRO B 10 4.593 5.878 -18.607 1.00 43.42 C ATOM 419 O PRO B 10 3.516 6.254 -18.142 1.00 43.34 O ATOM 420 CB PRO B 10 6.401 7.140 -19.807 1.00 22.02 C ATOM 421 CG PRO B 10 7.433 6.115 -20.131 1.00 0.51 C ATOM 422 CD PRO B 10 8.039 5.708 -18.817 1.00 22.05 C ATOM 0 HA PRO B 10 5.553 7.559 -17.811 1.00 50.43 H new ATOM 0 HB2 PRO B 10 5.613 7.161 -20.560 1.00 22.02 H new ATOM 0 HB3 PRO B 10 6.834 8.140 -19.771 1.00 22.02 H new ATOM 0 HG2 PRO B 10 6.987 5.259 -20.637 1.00 0.51 H new ATOM 0 HG3 PRO B 10 8.191 6.522 -20.801 1.00 0.51 H new ATOM 0 HD2 PRO B 10 8.338 4.660 -18.820 1.00 22.05 H new ATOM 0 HD3 PRO B 10 8.929 6.293 -18.587 1.00 22.05 H new ATOM 430 N LEU B 11 4.735 4.737 -19.272 1.00 53.34 N ATOM 431 CA LEU B 11 3.607 3.840 -19.500 1.00 64.23 C ATOM 432 C LEU B 11 3.698 2.613 -18.599 1.00 33.40 C ATOM 433 O LEU B 11 2.851 2.404 -17.730 1.00 10.02 O ATOM 434 CB LEU B 11 3.563 3.407 -20.967 1.00 13.51 C ATOM 435 CG LEU B 11 2.244 2.800 -21.448 1.00 24.03 C ATOM 436 CD1 LEU B 11 2.053 1.409 -20.863 1.00 50.12 C ATOM 437 CD2 LEU B 11 1.076 3.701 -21.078 1.00 15.42 C ATOM 0 H LEU B 11 5.619 4.411 -19.663 1.00 53.34 H new ATOM 0 HA LEU B 11 2.691 4.379 -19.259 1.00 64.23 H new ATOM 0 HB2 LEU B 11 3.789 4.274 -21.588 1.00 13.51 H new ATOM 0 HB3 LEU B 11 4.357 2.679 -21.134 1.00 13.51 H new ATOM 0 HG LEU B 11 2.280 2.714 -22.534 1.00 24.03 H new ATOM 0 HD11 LEU B 11 1.110 0.992 -21.216 1.00 50.12 H new ATOM 0 HD12 LEU B 11 2.874 0.766 -21.179 1.00 50.12 H new ATOM 0 HD13 LEU B 11 2.038 1.471 -19.775 1.00 50.12 H new ATOM 0 HD21 LEU B 11 0.146 3.253 -21.428 1.00 15.42 H new ATOM 0 HD22 LEU B 11 1.037 3.819 -19.995 1.00 15.42 H new ATOM 0 HD23 LEU B 11 1.207 4.677 -21.545 1.00 15.42 H new ATOM 449 N PHE B 12 4.731 1.804 -18.811 1.00 12.12 N ATOM 450 CA PHE B 12 4.933 0.598 -18.017 1.00 31.33 C ATOM 451 C PHE B 12 5.226 0.948 -16.561 1.00 32.23 C ATOM 452 O PHE B 12 6.365 0.856 -16.106 1.00 21.43 O ATOM 453 CB PHE B 12 6.081 -0.232 -18.594 1.00 62.34 C ATOM 454 CG PHE B 12 7.441 0.304 -18.249 1.00 61.13 C ATOM 455 CD1 PHE B 12 7.744 1.641 -18.449 1.00 1.25 C ATOM 456 CD2 PHE B 12 8.416 -0.529 -17.725 1.00 63.32 C ATOM 457 CE1 PHE B 12 8.995 2.137 -18.133 1.00 30.35 C ATOM 458 CE2 PHE B 12 9.669 -0.039 -17.407 1.00 31.21 C ATOM 459 CZ PHE B 12 9.958 1.296 -17.610 1.00 21.11 C ATOM 0 H PHE B 12 5.441 1.962 -19.526 1.00 12.12 H new ATOM 0 HA PHE B 12 4.015 0.011 -18.054 1.00 31.33 H new ATOM 0 HB2 PHE B 12 5.999 -1.255 -18.227 1.00 62.34 H new ATOM 0 HB3 PHE B 12 5.980 -0.273 -19.679 1.00 62.34 H new ATOM 0 HD1 PHE B 12 6.994 2.303 -18.856 1.00 1.25 H new ATOM 0 HD2 PHE B 12 8.195 -1.574 -17.563 1.00 63.32 H new ATOM 0 HE1 PHE B 12 9.219 3.181 -18.295 1.00 30.35 H new ATOM 0 HE2 PHE B 12 10.421 -0.699 -17.000 1.00 31.21 H new ATOM 0 HZ PHE B 12 10.935 1.682 -17.360 1.00 21.11 H new ATOM 469 N GLY B 13 4.187 1.351 -15.835 1.00 24.15 N ATOM 470 CA GLY B 13 4.353 1.710 -14.438 1.00 63.42 C ATOM 471 C GLY B 13 3.406 0.953 -13.529 1.00 14.03 C ATOM 472 O GLY B 13 3.588 -0.240 -13.283 1.00 53.42 O ATOM 0 H GLY B 13 3.234 1.435 -16.189 1.00 24.15 H new ATOM 0 HA2 GLY B 13 5.381 1.510 -14.134 1.00 63.42 H new ATOM 0 HA3 GLY B 13 4.188 2.781 -14.319 1.00 63.42 H new ATOM 476 N LYS B 14 2.391 1.647 -13.025 1.00 52.31 N ATOM 477 CA LYS B 14 1.410 1.035 -12.137 1.00 21.12 C ATOM 478 C LYS B 14 0.987 -0.336 -12.655 1.00 44.14 C ATOM 479 O LYS B 14 0.620 -1.217 -11.880 1.00 21.50 O ATOM 480 CB LYS B 14 0.184 1.939 -11.996 1.00 54.35 C ATOM 481 CG LYS B 14 0.394 3.106 -11.047 1.00 53.21 C ATOM 482 CD LYS B 14 -0.127 4.406 -11.637 1.00 71.12 C ATOM 483 CE LYS B 14 0.722 5.593 -11.208 1.00 32.43 C ATOM 484 NZ LYS B 14 0.007 6.885 -11.401 1.00 20.32 N ATOM 0 H LYS B 14 2.226 2.635 -13.217 1.00 52.31 H new ATOM 0 HA LYS B 14 1.874 0.907 -11.159 1.00 21.12 H new ATOM 0 HB2 LYS B 14 -0.087 2.325 -12.979 1.00 54.35 H new ATOM 0 HB3 LYS B 14 -0.658 1.343 -11.644 1.00 54.35 H new ATOM 0 HG2 LYS B 14 -0.113 2.905 -10.104 1.00 53.21 H new ATOM 0 HG3 LYS B 14 1.456 3.207 -10.823 1.00 53.21 H new ATOM 0 HD2 LYS B 14 -0.133 4.336 -12.725 1.00 71.12 H new ATOM 0 HD3 LYS B 14 -1.159 4.562 -11.322 1.00 71.12 H new ATOM 0 HE2 LYS B 14 0.996 5.483 -10.159 1.00 32.43 H new ATOM 0 HE3 LYS B 14 1.649 5.602 -11.781 1.00 32.43 H new ATOM 0 HZ1 LYS B 14 0.619 7.669 -11.097 1.00 20.32 H new ATOM 0 HZ2 LYS B 14 -0.233 7.002 -12.406 1.00 20.32 H new ATOM 0 HZ3 LYS B 14 -0.865 6.887 -10.835 1.00 20.32 H new ATOM 498 N GLY B 15 1.043 -0.509 -13.973 1.00 4.53 N ATOM 499 CA GLY B 15 0.665 -1.775 -14.572 1.00 32.04 C ATOM 500 C GLY B 15 0.954 -2.955 -13.665 1.00 15.45 C ATOM 501 O GLY B 15 0.113 -3.837 -13.495 1.00 12.42 O ATOM 0 H GLY B 15 1.344 0.206 -14.636 1.00 4.53 H new ATOM 0 HA2 GLY B 15 -0.398 -1.757 -14.812 1.00 32.04 H new ATOM 0 HA3 GLY B 15 1.202 -1.903 -15.512 1.00 32.04 H new ATOM 505 N GLY B 16 2.148 -2.972 -13.081 1.00 30.05 N ATOM 506 CA GLY B 16 2.525 -4.058 -12.195 1.00 11.13 C ATOM 507 C GLY B 16 2.221 -5.420 -12.786 1.00 20.33 C ATOM 508 O GLY B 16 1.575 -6.251 -12.147 1.00 61.12 O ATOM 0 H GLY B 16 2.861 -2.253 -13.205 1.00 30.05 H new ATOM 0 HA2 GLY B 16 3.590 -3.990 -11.975 1.00 11.13 H new ATOM 0 HA3 GLY B 16 1.997 -3.950 -11.248 1.00 11.13 H new TER 512 GLY B 16