USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 398 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 180:sc= -0.294 USER MOD Set 1.2: B 2 TYR OH : rot 159:sc= 0.0727 USER MOD Single : A 1 VAL N :NH3+ -163:sc= -0.131 (180deg=-0.609) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00627) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LYS N :NH3+ -152:sc= -0.0369 (180deg=-0.531) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 THR OG1 : rot -76:sc= 1.91 USER MOD Single : B 6 THR OG1 : rot 180:sc= -0.788 USER MOD Single : B 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 9 ASN : amide:sc= -1.78 X(o=-1.8,f=-1.5!) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.00421 USER MOD Single : B 16 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.27) USER MOD Single : B 22 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.4!) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot -126:sc= 0.36 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 4.734 3.834 1.680 1.00 3.00 N ATOM 2 CA VAL A 1 4.797 5.233 1.272 1.00 12.15 C ATOM 3 C VAL A 1 3.879 5.501 0.085 1.00 15.11 C ATOM 4 O VAL A 1 4.221 5.200 -1.057 1.00 73.41 O ATOM 5 CB VAL A 1 6.233 5.644 0.901 1.00 53.23 C ATOM 6 CG1 VAL A 1 6.310 7.141 0.644 1.00 64.43 C ATOM 7 CG2 VAL A 1 7.205 5.232 1.994 1.00 21.41 C ATOM 0 H1 VAL A 1 5.125 3.734 2.638 1.00 3.00 H new ATOM 0 H2 VAL A 1 3.744 3.515 1.675 1.00 3.00 H new ATOM 0 H3 VAL A 1 5.288 3.254 1.018 1.00 3.00 H new ATOM 0 HA VAL A 1 4.466 5.827 2.124 1.00 12.15 H new ATOM 0 HB VAL A 1 6.514 5.127 -0.016 1.00 53.23 H new ATOM 0 HG11 VAL A 1 7.333 7.413 0.383 1.00 64.43 H new ATOM 0 HG12 VAL A 1 5.644 7.404 -0.178 1.00 64.43 H new ATOM 0 HG13 VAL A 1 6.009 7.680 1.542 1.00 64.43 H new ATOM 0 HG21 VAL A 1 8.215 5.531 1.714 1.00 21.41 H new ATOM 0 HG22 VAL A 1 6.929 5.719 2.929 1.00 21.41 H new ATOM 0 HG23 VAL A 1 7.169 4.150 2.124 1.00 21.41 H new ATOM 17 N ALA A 2 2.710 6.069 0.364 1.00 33.42 N ATOM 18 CA ALA A 2 1.743 6.380 -0.681 1.00 33.43 C ATOM 19 C ALA A 2 1.526 7.884 -0.798 1.00 75.11 C ATOM 20 O ALA A 2 0.578 8.430 -0.233 1.00 55.25 O ATOM 21 CB ALA A 2 0.423 5.674 -0.406 1.00 75.53 C ATOM 0 H ALA A 2 2.410 6.323 1.305 1.00 33.42 H new ATOM 0 HA ALA A 2 2.143 6.022 -1.630 1.00 33.43 H new ATOM 0 HB1 ALA A 2 -0.290 5.915 -1.194 1.00 75.53 H new ATOM 0 HB2 ALA A 2 0.585 4.596 -0.381 1.00 75.53 H new ATOM 0 HB3 ALA A 2 0.027 6.004 0.554 1.00 75.53 H new ATOM 27 N ARG A 3 2.411 8.550 -1.534 1.00 13.42 N ATOM 28 CA ARG A 3 2.317 9.991 -1.723 1.00 44.31 C ATOM 29 C ARG A 3 2.151 10.337 -3.200 1.00 30.41 C ATOM 30 O ARG A 3 1.731 11.440 -3.547 1.00 11.34 O ATOM 31 CB ARG A 3 3.561 10.683 -1.164 1.00 5.23 C ATOM 32 CG ARG A 3 4.302 9.856 -0.126 1.00 23.23 C ATOM 33 CD ARG A 3 3.445 9.608 1.105 1.00 50.11 C ATOM 34 NE ARG A 3 3.905 10.378 2.257 1.00 10.53 N ATOM 35 CZ ARG A 3 3.251 10.434 3.412 1.00 31.13 C ATOM 36 NH1 ARG A 3 2.115 9.768 3.568 1.00 70.34 N ATOM 37 NH2 ARG A 3 3.734 11.157 4.416 1.00 55.24 N ATOM 0 H ARG A 3 3.201 8.113 -2.009 1.00 13.42 H new ATOM 0 HA ARG A 3 1.439 10.345 -1.183 1.00 44.31 H new ATOM 0 HB2 ARG A 3 4.239 10.912 -1.986 1.00 5.23 H new ATOM 0 HB3 ARG A 3 3.268 11.633 -0.718 1.00 5.23 H new ATOM 0 HG2 ARG A 3 4.598 8.902 -0.563 1.00 23.23 H new ATOM 0 HG3 ARG A 3 5.218 10.371 0.165 1.00 23.23 H new ATOM 0 HD2 ARG A 3 2.410 9.869 0.885 1.00 50.11 H new ATOM 0 HD3 ARG A 3 3.461 8.546 1.349 1.00 50.11 H new ATOM 0 HE ARG A 3 4.776 10.902 2.170 1.00 10.53 H new ATOM 0 HH11 ARG A 3 1.741 9.211 2.800 1.00 70.34 H new ATOM 0 HH12 ARG A 3 1.615 9.813 4.456 1.00 70.34 H new ATOM 0 HH21 ARG A 3 4.608 11.670 4.301 1.00 55.24 H new ATOM 0 HH22 ARG A 3 3.231 11.199 5.302 1.00 55.24 H new ATOM 51 N GLY A 4 2.485 9.385 -4.066 1.00 73.51 N ATOM 52 CA GLY A 4 2.367 9.608 -5.495 1.00 33.01 C ATOM 53 C GLY A 4 0.925 9.702 -5.950 1.00 55.51 C ATOM 54 O GLY A 4 0.643 10.184 -7.048 1.00 11.45 O ATOM 0 H GLY A 4 2.835 8.464 -3.803 1.00 73.51 H new ATOM 0 HA2 GLY A 4 2.889 10.527 -5.760 1.00 33.01 H new ATOM 0 HA3 GLY A 4 2.861 8.796 -6.028 1.00 33.01 H new ATOM 58 N TRP A 5 0.009 9.239 -5.107 1.00 3.21 N ATOM 59 CA TRP A 5 -1.414 9.272 -5.430 1.00 25.03 C ATOM 60 C TRP A 5 -2.192 10.059 -4.380 1.00 71.30 C ATOM 61 O TRP A 5 -3.378 10.338 -4.553 1.00 14.35 O ATOM 62 CB TRP A 5 -1.967 7.849 -5.531 1.00 61.15 C ATOM 63 CG TRP A 5 -0.908 6.816 -5.766 1.00 72.10 C ATOM 64 CD1 TRP A 5 -0.081 6.720 -6.850 1.00 41.40 C ATOM 65 CD2 TRP A 5 -0.563 5.730 -4.899 1.00 72.30 C ATOM 66 NE1 TRP A 5 0.756 5.640 -6.709 1.00 21.35 N ATOM 67 CE2 TRP A 5 0.481 5.017 -5.520 1.00 24.21 C ATOM 68 CE3 TRP A 5 -1.033 5.292 -3.658 1.00 60.22 C ATOM 69 CZ2 TRP A 5 1.061 3.891 -4.940 1.00 11.11 C ATOM 70 CZ3 TRP A 5 -0.458 4.174 -3.084 1.00 75.45 C ATOM 71 CH2 TRP A 5 0.580 3.484 -3.725 1.00 64.54 C ATOM 0 H TRP A 5 0.225 8.836 -4.195 1.00 3.21 H new ATOM 0 HA TRP A 5 -1.532 9.770 -6.392 1.00 25.03 H new ATOM 0 HB2 TRP A 5 -2.502 7.608 -4.612 1.00 61.15 H new ATOM 0 HB3 TRP A 5 -2.693 7.806 -6.343 1.00 61.15 H new ATOM 0 HD1 TRP A 5 -0.085 7.394 -7.694 1.00 41.40 H new ATOM 0 HE1 TRP A 5 1.467 5.349 -7.380 1.00 21.35 H new ATOM 0 HE3 TRP A 5 -1.832 5.818 -3.156 1.00 60.22 H new ATOM 0 HZ2 TRP A 5 1.862 3.358 -5.432 1.00 11.11 H new ATOM 0 HZ3 TRP A 5 -0.814 3.826 -2.126 1.00 75.45 H new ATOM 0 HH2 TRP A 5 1.009 2.614 -3.251 1.00 64.54 H new ATOM 82 N LYS A 6 -1.516 10.415 -3.293 1.00 40.14 N ATOM 83 CA LYS A 6 -2.143 11.173 -2.216 1.00 53.22 C ATOM 84 C LYS A 6 -1.667 12.622 -2.220 1.00 34.12 C ATOM 85 O LYS A 6 -2.350 13.511 -1.713 1.00 15.54 O ATOM 86 CB LYS A 6 -1.835 10.527 -0.863 1.00 72.41 C ATOM 87 CG LYS A 6 -2.213 11.393 0.325 1.00 13.44 C ATOM 88 CD LYS A 6 -1.003 12.109 0.900 1.00 12.24 C ATOM 89 CE LYS A 6 -1.336 13.542 1.290 1.00 33.32 C ATOM 90 NZ LYS A 6 -1.884 13.627 2.672 1.00 63.32 N ATOM 0 H LYS A 6 -0.534 10.191 -3.134 1.00 40.14 H new ATOM 0 HA LYS A 6 -3.221 11.163 -2.379 1.00 53.22 H new ATOM 0 HB2 LYS A 6 -2.367 9.578 -0.794 1.00 72.41 H new ATOM 0 HB3 LYS A 6 -0.770 10.300 -0.812 1.00 72.41 H new ATOM 0 HG2 LYS A 6 -2.959 12.126 0.019 1.00 13.44 H new ATOM 0 HG3 LYS A 6 -2.671 10.774 1.096 1.00 13.44 H new ATOM 0 HD2 LYS A 6 -0.640 11.568 1.774 1.00 12.24 H new ATOM 0 HD3 LYS A 6 -0.196 12.108 0.167 1.00 12.24 H new ATOM 0 HE2 LYS A 6 -0.439 14.156 1.217 1.00 33.32 H new ATOM 0 HE3 LYS A 6 -2.061 13.951 0.586 1.00 33.32 H new ATOM 0 HZ1 LYS A 6 -2.098 14.619 2.900 1.00 63.32 H new ATOM 0 HZ2 LYS A 6 -2.754 13.061 2.736 1.00 63.32 H new ATOM 0 HZ3 LYS A 6 -1.183 13.260 3.347 1.00 63.32 H new ATOM 104 N ARG A 7 -0.491 12.852 -2.797 1.00 12.33 N ATOM 105 CA ARG A 7 0.076 14.192 -2.866 1.00 72.35 C ATOM 106 C ARG A 7 0.268 14.626 -4.316 1.00 60.53 C ATOM 107 O ARG A 7 0.071 15.792 -4.659 1.00 72.21 O ATOM 108 CB ARG A 7 1.414 14.243 -2.126 1.00 50.45 C ATOM 109 CG ARG A 7 2.170 15.546 -2.324 1.00 22.11 C ATOM 110 CD ARG A 7 3.548 15.305 -2.918 1.00 74.44 C ATOM 111 NE ARG A 7 4.617 15.635 -1.979 1.00 43.40 N ATOM 112 CZ ARG A 7 5.865 15.897 -2.348 1.00 31.52 C ATOM 113 NH1 ARG A 7 6.202 15.866 -3.630 1.00 51.35 N ATOM 114 NH2 ARG A 7 6.781 16.190 -1.433 1.00 60.15 N ATOM 0 H ARG A 7 0.086 12.127 -3.223 1.00 12.33 H new ATOM 0 HA ARG A 7 -0.622 14.879 -2.387 1.00 72.35 H new ATOM 0 HB2 ARG A 7 1.236 14.094 -1.061 1.00 50.45 H new ATOM 0 HB3 ARG A 7 2.038 13.416 -2.464 1.00 50.45 H new ATOM 0 HG2 ARG A 7 1.599 16.203 -2.980 1.00 22.11 H new ATOM 0 HG3 ARG A 7 2.269 16.059 -1.368 1.00 22.11 H new ATOM 0 HD2 ARG A 7 3.637 14.260 -3.215 1.00 74.44 H new ATOM 0 HD3 ARG A 7 3.662 15.904 -3.822 1.00 74.44 H new ATOM 0 HE ARG A 7 4.392 15.666 -0.985 1.00 43.40 H new ATOM 0 HH11 ARG A 7 5.501 15.640 -4.336 1.00 51.35 H new ATOM 0 HH12 ARG A 7 7.162 16.068 -3.910 1.00 51.35 H new ATOM 0 HH21 ARG A 7 6.526 16.214 -0.446 1.00 60.15 H new ATOM 0 HH22 ARG A 7 7.740 16.391 -1.717 1.00 60.15 H new ATOM 128 N LYS A 8 0.656 13.680 -5.165 1.00 73.52 N ATOM 129 CA LYS A 8 0.876 13.962 -6.579 1.00 71.12 C ATOM 130 C LYS A 8 -0.410 13.775 -7.377 1.00 13.25 C ATOM 131 O LYS A 8 -0.503 12.883 -8.222 1.00 2.04 O ATOM 132 CB LYS A 8 1.973 13.054 -7.137 1.00 15.23 C ATOM 133 CG LYS A 8 3.345 13.704 -7.171 1.00 45.20 C ATOM 134 CD LYS A 8 3.897 13.914 -5.770 1.00 32.04 C ATOM 135 CE LYS A 8 4.843 12.792 -5.371 1.00 73.41 C ATOM 136 NZ LYS A 8 6.172 12.926 -6.029 1.00 62.11 N ATOM 0 H LYS A 8 0.825 12.710 -4.898 1.00 73.52 H new ATOM 0 HA LYS A 8 1.192 15.001 -6.672 1.00 71.12 H new ATOM 0 HB2 LYS A 8 2.025 12.148 -6.533 1.00 15.23 H new ATOM 0 HB3 LYS A 8 1.700 12.748 -8.147 1.00 15.23 H new ATOM 0 HG2 LYS A 8 4.031 13.079 -7.743 1.00 45.20 H new ATOM 0 HG3 LYS A 8 3.282 14.663 -7.686 1.00 45.20 H new ATOM 0 HD2 LYS A 8 4.422 14.868 -5.724 1.00 32.04 H new ATOM 0 HD3 LYS A 8 3.074 13.968 -5.058 1.00 32.04 H new ATOM 0 HE2 LYS A 8 4.972 12.794 -4.289 1.00 73.41 H new ATOM 0 HE3 LYS A 8 4.401 11.832 -5.638 1.00 73.41 H new ATOM 0 HZ1 LYS A 8 6.645 12.000 -6.047 1.00 62.11 H new ATOM 0 HZ2 LYS A 8 6.044 13.268 -7.003 1.00 62.11 H new ATOM 0 HZ3 LYS A 8 6.756 13.603 -5.498 1.00 62.11 H new ATOM 150 N CYS A 9 -1.398 14.620 -7.106 1.00 21.42 N ATOM 151 CA CYS A 9 -2.678 14.548 -7.801 1.00 11.51 C ATOM 152 C CYS A 9 -2.578 15.160 -9.193 1.00 73.50 C ATOM 153 O CYS A 9 -2.819 14.503 -10.207 1.00 3.32 O ATOM 154 CB CYS A 9 -3.762 15.264 -6.992 1.00 72.53 C ATOM 155 SG CYS A 9 -5.087 15.971 -7.999 1.00 5.01 S ATOM 0 H CYS A 9 -1.337 15.363 -6.410 1.00 21.42 H new ATOM 0 HA CYS A 9 -2.947 13.497 -7.906 1.00 11.51 H new ATOM 0 HB2 CYS A 9 -4.196 14.560 -6.282 1.00 72.53 H new ATOM 0 HB3 CYS A 9 -3.299 16.060 -6.409 1.00 72.53 H new ATOM 0 HG CYS A 9 -5.956 16.553 -7.227 1.00 5.01 H new ATOM 161 N PRO A 10 -2.214 16.450 -9.248 1.00 13.21 N ATOM 162 CA PRO A 10 -2.074 17.180 -10.512 1.00 21.44 C ATOM 163 C PRO A 10 -0.874 16.706 -11.325 1.00 35.21 C ATOM 164 O PRO A 10 -0.695 17.105 -12.476 1.00 60.22 O ATOM 165 CB PRO A 10 -1.876 18.630 -10.064 1.00 0.52 C ATOM 166 CG PRO A 10 -1.304 18.528 -8.691 1.00 55.33 C ATOM 167 CD PRO A 10 -1.911 17.295 -8.081 1.00 23.21 C ATOM 0 HA PRO A 10 -2.935 17.034 -11.164 1.00 21.44 H new ATOM 0 HB2 PRO A 10 -1.202 19.163 -10.735 1.00 0.52 H new ATOM 0 HB3 PRO A 10 -2.820 19.176 -10.060 1.00 0.52 H new ATOM 0 HG2 PRO A 10 -0.217 18.452 -8.726 1.00 55.33 H new ATOM 0 HG3 PRO A 10 -1.543 19.413 -8.102 1.00 55.33 H new ATOM 0 HD2 PRO A 10 -1.219 16.803 -7.397 1.00 23.21 H new ATOM 0 HD3 PRO A 10 -2.810 17.530 -7.511 1.00 23.21 H new ATOM 175 N LEU A 11 -0.056 15.852 -10.721 1.00 62.52 N ATOM 176 CA LEU A 11 1.128 15.322 -11.390 1.00 2.43 C ATOM 177 C LEU A 11 0.883 13.900 -11.884 1.00 30.11 C ATOM 178 O LEU A 11 0.768 13.660 -13.086 1.00 62.41 O ATOM 179 CB LEU A 11 2.327 15.346 -10.441 1.00 32.20 C ATOM 180 CG LEU A 11 2.965 16.714 -10.200 1.00 63.21 C ATOM 181 CD1 LEU A 11 2.758 17.153 -8.758 1.00 15.10 C ATOM 182 CD2 LEU A 11 4.448 16.680 -10.540 1.00 0.10 C ATOM 0 H LEU A 11 -0.190 15.511 -9.769 1.00 62.52 H new ATOM 0 HA LEU A 11 1.342 15.954 -12.252 1.00 2.43 H new ATOM 0 HB2 LEU A 11 2.012 14.940 -9.480 1.00 32.20 H new ATOM 0 HB3 LEU A 11 3.091 14.676 -10.836 1.00 32.20 H new ATOM 0 HG LEU A 11 2.480 17.439 -10.853 1.00 63.21 H new ATOM 0 HD11 LEU A 11 3.219 18.129 -8.605 1.00 15.10 H new ATOM 0 HD12 LEU A 11 1.691 17.219 -8.547 1.00 15.10 H new ATOM 0 HD13 LEU A 11 3.216 16.426 -8.087 1.00 15.10 H new ATOM 0 HD21 LEU A 11 4.885 17.663 -10.362 1.00 0.10 H new ATOM 0 HD22 LEU A 11 4.948 15.942 -9.913 1.00 0.10 H new ATOM 0 HD23 LEU A 11 4.575 16.411 -11.589 1.00 0.10 H new ATOM 194 N PHE A 12 0.803 12.959 -10.948 1.00 44.42 N ATOM 195 CA PHE A 12 0.570 11.561 -11.288 1.00 30.42 C ATOM 196 C PHE A 12 -0.754 11.393 -12.027 1.00 43.44 C ATOM 197 O PHE A 12 -0.980 10.388 -12.698 1.00 73.23 O ATOM 198 CB PHE A 12 0.574 10.699 -10.023 1.00 55.15 C ATOM 199 CG PHE A 12 1.529 9.543 -10.089 1.00 30.41 C ATOM 200 CD1 PHE A 12 2.858 9.743 -10.426 1.00 32.23 C ATOM 201 CD2 PHE A 12 1.099 8.255 -9.814 1.00 2.33 C ATOM 202 CE1 PHE A 12 3.741 8.681 -10.487 1.00 52.42 C ATOM 203 CE2 PHE A 12 1.977 7.189 -9.873 1.00 4.42 C ATOM 204 CZ PHE A 12 3.299 7.402 -10.210 1.00 55.31 C ATOM 0 H PHE A 12 0.896 13.140 -9.949 1.00 44.42 H new ATOM 0 HA PHE A 12 1.376 11.234 -11.945 1.00 30.42 H new ATOM 0 HB2 PHE A 12 0.831 11.324 -9.168 1.00 55.15 H new ATOM 0 HB3 PHE A 12 -0.433 10.319 -9.849 1.00 55.15 H new ATOM 0 HD1 PHE A 12 3.209 10.741 -10.644 1.00 32.23 H new ATOM 0 HD2 PHE A 12 0.066 8.082 -9.551 1.00 2.33 H new ATOM 0 HE1 PHE A 12 4.774 8.851 -10.751 1.00 52.42 H new ATOM 0 HE2 PHE A 12 1.629 6.190 -9.656 1.00 4.42 H new ATOM 0 HZ PHE A 12 3.986 6.570 -10.257 1.00 55.31 H new ATOM 214 N GLY A 13 -1.627 12.388 -11.897 1.00 14.22 N ATOM 215 CA GLY A 13 -2.919 12.332 -12.558 1.00 5.15 C ATOM 216 C GLY A 13 -3.020 13.302 -13.717 1.00 42.02 C ATOM 217 O GLY A 13 -2.810 12.928 -14.871 1.00 61.25 O ATOM 0 H GLY A 13 -1.463 13.231 -11.347 1.00 14.22 H new ATOM 0 HA2 GLY A 13 -3.095 11.319 -12.920 1.00 5.15 H new ATOM 0 HA3 GLY A 13 -3.704 12.553 -11.834 1.00 5.15 H new ATOM 221 N LYS A 14 -3.344 14.554 -13.412 1.00 60.05 N ATOM 222 CA LYS A 14 -3.474 15.583 -14.437 1.00 4.20 C ATOM 223 C LYS A 14 -2.262 15.584 -15.364 1.00 12.52 C ATOM 224 O LYS A 14 -2.403 15.507 -16.584 1.00 60.42 O ATOM 225 CB LYS A 14 -3.634 16.960 -13.789 1.00 52.32 C ATOM 226 CG LYS A 14 -4.449 17.934 -14.623 1.00 65.32 C ATOM 227 CD LYS A 14 -5.524 18.615 -13.794 1.00 22.24 C ATOM 228 CE LYS A 14 -5.094 20.008 -13.360 1.00 42.33 C ATOM 229 NZ LYS A 14 -5.400 21.032 -14.396 1.00 54.23 N ATOM 0 H LYS A 14 -3.522 14.881 -12.462 1.00 60.05 H new ATOM 0 HA LYS A 14 -4.362 15.361 -15.029 1.00 4.20 H new ATOM 0 HB2 LYS A 14 -4.110 16.841 -12.816 1.00 52.32 H new ATOM 0 HB3 LYS A 14 -2.646 17.385 -13.611 1.00 52.32 H new ATOM 0 HG2 LYS A 14 -3.789 18.687 -15.053 1.00 65.32 H new ATOM 0 HG3 LYS A 14 -4.912 17.403 -15.455 1.00 65.32 H new ATOM 0 HD2 LYS A 14 -6.445 18.681 -14.374 1.00 22.24 H new ATOM 0 HD3 LYS A 14 -5.744 18.010 -12.914 1.00 22.24 H new ATOM 0 HE2 LYS A 14 -5.599 20.270 -12.430 1.00 42.33 H new ATOM 0 HE3 LYS A 14 -4.024 20.010 -13.153 1.00 42.33 H new ATOM 0 HZ1 LYS A 14 -5.092 21.967 -14.062 1.00 54.23 H new ATOM 0 HZ2 LYS A 14 -4.898 20.796 -15.276 1.00 54.23 H new ATOM 0 HZ3 LYS A 14 -6.424 21.049 -14.575 1.00 54.23 H new ATOM 243 N GLY A 15 -1.073 15.669 -14.776 1.00 11.01 N ATOM 244 CA GLY A 15 0.145 15.676 -15.565 1.00 31.33 C ATOM 245 C GLY A 15 0.282 14.440 -16.432 1.00 0.13 C ATOM 246 O GLY A 15 0.619 14.535 -17.611 1.00 31.21 O ATOM 0 H GLY A 15 -0.931 15.733 -13.768 1.00 11.01 H new ATOM 0 HA2 GLY A 15 0.159 16.563 -16.198 1.00 31.33 H new ATOM 0 HA3 GLY A 15 1.005 15.746 -14.899 1.00 31.33 H new ATOM 250 N GLY A 16 0.019 13.275 -15.847 1.00 23.15 N ATOM 251 CA GLY A 16 0.122 12.032 -16.587 1.00 61.25 C ATOM 252 C GLY A 16 -0.714 12.041 -17.852 1.00 11.21 C ATOM 253 O GLY A 16 -0.295 11.521 -18.885 1.00 64.45 O ATOM 0 H GLY A 16 -0.264 13.171 -14.873 1.00 23.15 H new ATOM 0 HA2 GLY A 16 1.165 11.852 -16.846 1.00 61.25 H new ATOM 0 HA3 GLY A 16 -0.196 11.206 -15.951 1.00 61.25 H new TER 257 GLY A 16 ATOM 258 N LYS B 1 -6.974 8.247 -13.216 1.00 35.04 N ATOM 259 CA LYS B 1 -5.535 8.123 -13.408 1.00 31.33 C ATOM 260 C LYS B 1 -4.921 7.210 -12.351 1.00 72.25 C ATOM 261 O LYS B 1 -4.470 6.106 -12.657 1.00 74.31 O ATOM 262 CB LYS B 1 -4.872 9.502 -13.352 1.00 74.42 C ATOM 263 CG LYS B 1 -5.567 10.545 -14.210 1.00 61.05 C ATOM 264 CD LYS B 1 -6.383 11.508 -13.365 1.00 25.31 C ATOM 265 CE LYS B 1 -7.756 11.755 -13.968 1.00 71.41 C ATOM 266 NZ LYS B 1 -8.230 13.145 -13.720 1.00 24.03 N ATOM 0 H1 LYS B 1 -7.431 8.440 -14.130 1.00 35.04 H new ATOM 0 H2 LYS B 1 -7.349 7.361 -12.821 1.00 35.04 H new ATOM 0 H3 LYS B 1 -7.170 9.029 -12.559 1.00 35.04 H new ATOM 0 HA LYS B 1 -5.362 7.682 -14.389 1.00 31.33 H new ATOM 0 HB2 LYS B 1 -4.855 9.846 -12.318 1.00 74.42 H new ATOM 0 HB3 LYS B 1 -3.835 9.411 -13.674 1.00 74.42 H new ATOM 0 HG2 LYS B 1 -4.824 11.101 -14.782 1.00 61.05 H new ATOM 0 HG3 LYS B 1 -6.218 10.050 -14.930 1.00 61.05 H new ATOM 0 HD2 LYS B 1 -6.494 11.105 -12.358 1.00 25.31 H new ATOM 0 HD3 LYS B 1 -5.850 12.454 -13.273 1.00 25.31 H new ATOM 0 HE2 LYS B 1 -7.720 11.570 -15.042 1.00 71.41 H new ATOM 0 HE3 LYS B 1 -8.470 11.047 -13.547 1.00 71.41 H new ATOM 0 HZ1 LYS B 1 -9.170 13.273 -14.147 1.00 24.03 H new ATOM 0 HZ2 LYS B 1 -8.289 13.314 -12.696 1.00 24.03 H new ATOM 0 HZ3 LYS B 1 -7.562 13.820 -14.144 1.00 24.03 H new ATOM 280 N TYR B 2 -4.909 7.677 -11.107 1.00 74.05 N ATOM 281 CA TYR B 2 -4.350 6.902 -10.006 1.00 55.11 C ATOM 282 C TYR B 2 -5.451 6.187 -9.229 1.00 3.42 C ATOM 283 O TYR B 2 -5.300 5.898 -8.042 1.00 74.42 O ATOM 284 CB TYR B 2 -3.555 7.812 -9.068 1.00 5.24 C ATOM 285 CG TYR B 2 -4.277 9.092 -8.710 1.00 72.32 C ATOM 286 CD1 TYR B 2 -5.317 9.092 -7.789 1.00 21.10 C ATOM 287 CD2 TYR B 2 -3.919 10.301 -9.295 1.00 34.40 C ATOM 288 CE1 TYR B 2 -5.979 10.259 -7.461 1.00 3.15 C ATOM 289 CE2 TYR B 2 -4.575 11.472 -8.971 1.00 64.35 C ATOM 290 CZ TYR B 2 -5.604 11.447 -8.054 1.00 11.25 C ATOM 291 OH TYR B 2 -6.261 12.611 -7.729 1.00 53.42 O ATOM 0 H TYR B 2 -5.280 8.588 -10.836 1.00 74.05 H new ATOM 0 HA TYR B 2 -3.681 6.151 -10.426 1.00 55.11 H new ATOM 0 HB2 TYR B 2 -3.326 7.266 -8.153 1.00 5.24 H new ATOM 0 HB3 TYR B 2 -2.603 8.061 -9.537 1.00 5.24 H new ATOM 0 HD1 TYR B 2 -5.613 8.164 -7.322 1.00 21.10 H new ATOM 0 HD2 TYR B 2 -3.114 10.325 -10.015 1.00 34.40 H new ATOM 0 HE1 TYR B 2 -6.786 10.242 -6.744 1.00 3.15 H new ATOM 0 HE2 TYR B 2 -4.283 12.403 -9.434 1.00 64.35 H new ATOM 0 HH TYR B 2 -5.691 13.379 -7.943 1.00 53.42 H new ATOM 301 N GLU B 3 -6.559 5.907 -9.908 1.00 1.15 N ATOM 302 CA GLU B 3 -7.686 5.226 -9.281 1.00 12.51 C ATOM 303 C GLU B 3 -7.443 3.721 -9.213 1.00 50.21 C ATOM 304 O GLU B 3 -8.278 2.970 -8.706 1.00 70.43 O ATOM 305 CB GLU B 3 -8.976 5.511 -10.055 1.00 3.44 C ATOM 306 CG GLU B 3 -9.932 6.438 -9.322 1.00 54.51 C ATOM 307 CD GLU B 3 -10.174 7.735 -10.070 1.00 3.33 C ATOM 308 OE1 GLU B 3 -11.262 7.882 -10.665 1.00 22.14 O ATOM 309 OE2 GLU B 3 -9.276 8.603 -10.059 1.00 34.24 O ATOM 0 H GLU B 3 -6.700 6.141 -10.891 1.00 1.15 H new ATOM 0 HA GLU B 3 -7.788 5.606 -8.265 1.00 12.51 H new ATOM 0 HB2 GLU B 3 -8.722 5.953 -11.019 1.00 3.44 H new ATOM 0 HB3 GLU B 3 -9.483 4.568 -10.260 1.00 3.44 H new ATOM 0 HG2 GLU B 3 -10.883 5.927 -9.170 1.00 54.51 H new ATOM 0 HG3 GLU B 3 -9.529 6.662 -8.334 1.00 54.51 H new ATOM 316 N ILE B 4 -6.297 3.290 -9.726 1.00 34.24 N ATOM 317 CA ILE B 4 -5.944 1.875 -9.722 1.00 23.42 C ATOM 318 C ILE B 4 -4.650 1.634 -8.951 1.00 74.41 C ATOM 319 O ILE B 4 -4.287 0.491 -8.668 1.00 2.42 O ATOM 320 CB ILE B 4 -5.783 1.332 -11.155 1.00 13.54 C ATOM 321 CG1 ILE B 4 -6.993 1.717 -12.008 1.00 11.31 C ATOM 322 CG2 ILE B 4 -5.605 -0.180 -11.130 1.00 44.01 C ATOM 323 CD1 ILE B 4 -6.791 2.990 -12.801 1.00 11.44 C ATOM 0 H ILE B 4 -5.597 3.899 -10.150 1.00 34.24 H new ATOM 0 HA ILE B 4 -6.761 1.346 -9.231 1.00 23.42 H new ATOM 0 HB ILE B 4 -4.893 1.777 -11.600 1.00 13.54 H new ATOM 0 HG12 ILE B 4 -7.217 0.902 -12.696 1.00 11.31 H new ATOM 0 HG13 ILE B 4 -7.862 1.836 -11.360 1.00 11.31 H new ATOM 0 HG21 ILE B 4 -5.492 -0.550 -12.149 1.00 44.01 H new ATOM 0 HG22 ILE B 4 -4.716 -0.432 -10.552 1.00 44.01 H new ATOM 0 HG23 ILE B 4 -6.479 -0.642 -10.671 1.00 44.01 H new ATOM 0 HD11 ILE B 4 -7.688 3.203 -13.383 1.00 11.44 H new ATOM 0 HD12 ILE B 4 -6.597 3.817 -12.118 1.00 11.44 H new ATOM 0 HD13 ILE B 4 -5.943 2.868 -13.474 1.00 11.44 H new ATOM 335 N THR B 5 -3.958 2.716 -8.612 1.00 51.45 N ATOM 336 CA THR B 5 -2.705 2.623 -7.873 1.00 54.22 C ATOM 337 C THR B 5 -2.839 3.238 -6.484 1.00 40.24 C ATOM 338 O THR B 5 -1.877 3.283 -5.718 1.00 41.05 O ATOM 339 CB THR B 5 -1.557 3.323 -8.623 1.00 60.24 C ATOM 340 OG1 THR B 5 -2.080 4.091 -9.713 1.00 60.35 O ATOM 341 CG2 THR B 5 -0.554 2.306 -9.147 1.00 55.23 C ATOM 0 H THR B 5 -4.244 3.669 -8.838 1.00 51.45 H new ATOM 0 HA THR B 5 -2.473 1.562 -7.777 1.00 54.22 H new ATOM 0 HB THR B 5 -1.047 3.986 -7.924 1.00 60.24 H new ATOM 0 HG1 THR B 5 -2.320 3.492 -10.450 1.00 60.35 H new ATOM 0 HG21 THR B 5 0.248 2.824 -9.673 1.00 55.23 H new ATOM 0 HG22 THR B 5 -0.136 1.744 -8.312 1.00 55.23 H new ATOM 0 HG23 THR B 5 -1.054 1.621 -9.832 1.00 55.23 H new ATOM 349 N THR B 6 -4.040 3.711 -6.165 1.00 13.13 N ATOM 350 CA THR B 6 -4.300 4.324 -4.868 1.00 73.12 C ATOM 351 C THR B 6 -5.308 3.509 -4.067 1.00 33.34 C ATOM 352 O THR B 6 -5.232 3.444 -2.839 1.00 12.52 O ATOM 353 CB THR B 6 -4.829 5.763 -5.023 1.00 25.35 C ATOM 354 OG1 THR B 6 -4.396 6.565 -3.918 1.00 32.31 O ATOM 355 CG2 THR B 6 -6.347 5.776 -5.101 1.00 51.52 C ATOM 0 H THR B 6 -4.848 3.681 -6.787 1.00 13.13 H new ATOM 0 HA THR B 6 -3.350 4.349 -4.334 1.00 73.12 H new ATOM 0 HB THR B 6 -4.430 6.176 -5.950 1.00 25.35 H new ATOM 0 HG1 THR B 6 -4.735 7.479 -4.024 1.00 32.31 H new ATOM 0 HG21 THR B 6 -6.697 6.803 -5.210 1.00 51.52 H new ATOM 0 HG22 THR B 6 -6.672 5.189 -5.960 1.00 51.52 H new ATOM 0 HG23 THR B 6 -6.762 5.346 -4.189 1.00 51.52 H new ATOM 363 N ILE B 7 -6.250 2.886 -4.767 1.00 34.23 N ATOM 364 CA ILE B 7 -7.271 2.073 -4.120 1.00 33.03 C ATOM 365 C ILE B 7 -7.206 0.626 -4.596 1.00 72.40 C ATOM 366 O ILE B 7 -7.544 -0.299 -3.857 1.00 32.01 O ATOM 367 CB ILE B 7 -8.684 2.625 -4.386 1.00 71.03 C ATOM 368 CG1 ILE B 7 -9.715 1.881 -3.537 1.00 14.14 C ATOM 369 CG2 ILE B 7 -9.027 2.513 -5.865 1.00 21.11 C ATOM 370 CD1 ILE B 7 -10.305 0.670 -4.225 1.00 72.11 C ATOM 0 H ILE B 7 -6.327 2.929 -5.783 1.00 34.23 H new ATOM 0 HA ILE B 7 -7.071 2.111 -3.049 1.00 33.03 H new ATOM 0 HB ILE B 7 -8.704 3.678 -4.107 1.00 71.03 H new ATOM 0 HG12 ILE B 7 -9.247 1.566 -2.604 1.00 14.14 H new ATOM 0 HG13 ILE B 7 -10.520 2.567 -3.274 1.00 14.14 H new ATOM 0 HG21 ILE B 7 -10.029 2.907 -6.037 1.00 21.11 H new ATOM 0 HG22 ILE B 7 -8.307 3.085 -6.450 1.00 21.11 H new ATOM 0 HG23 ILE B 7 -8.992 1.467 -6.168 1.00 21.11 H new ATOM 0 HD11 ILE B 7 -11.028 0.192 -3.564 1.00 72.11 H new ATOM 0 HD12 ILE B 7 -10.803 0.980 -5.144 1.00 72.11 H new ATOM 0 HD13 ILE B 7 -9.510 -0.036 -4.464 1.00 72.11 H new ATOM 382 N HIS B 8 -6.766 0.436 -5.837 1.00 71.50 N ATOM 383 CA HIS B 8 -6.653 -0.900 -6.412 1.00 52.45 C ATOM 384 C HIS B 8 -5.194 -1.341 -6.481 1.00 3.34 C ATOM 385 O HIS B 8 -4.894 -2.467 -6.874 1.00 4.13 O ATOM 386 CB HIS B 8 -7.273 -0.930 -7.809 1.00 74.22 C ATOM 387 CG HIS B 8 -8.391 -1.917 -7.948 1.00 65.14 C ATOM 388 ND1 HIS B 8 -9.702 -1.544 -8.159 1.00 61.25 N ATOM 389 CD2 HIS B 8 -8.388 -3.269 -7.905 1.00 55.33 C ATOM 390 CE1 HIS B 8 -10.457 -2.625 -8.239 1.00 52.23 C ATOM 391 NE2 HIS B 8 -9.684 -3.685 -8.088 1.00 73.11 N ATOM 0 H HIS B 8 -6.482 1.190 -6.463 1.00 71.50 H new ATOM 0 HA HIS B 8 -7.193 -1.593 -5.767 1.00 52.45 H new ATOM 0 HB2 HIS B 8 -7.645 0.065 -8.054 1.00 74.22 H new ATOM 0 HB3 HIS B 8 -6.497 -1.168 -8.537 1.00 74.22 H new ATOM 0 HD2 HIS B 8 -7.527 -3.903 -7.755 1.00 55.33 H new ATOM 0 HE1 HIS B 8 -11.525 -2.639 -8.400 1.00 52.23 H new ATOM 0 HE2 HIS B 8 -9.998 -4.655 -8.105 1.00 73.11 H new ATOM 399 N ASN B 9 -4.291 -0.444 -6.094 1.00 52.25 N ATOM 400 CA ASN B 9 -2.863 -0.740 -6.113 1.00 54.41 C ATOM 401 C ASN B 9 -2.569 -2.042 -5.374 1.00 72.42 C ATOM 402 O ASN B 9 -1.560 -2.700 -5.631 1.00 33.21 O ATOM 403 CB ASN B 9 -2.075 0.409 -5.482 1.00 10.24 C ATOM 404 CG ASN B 9 -1.228 -0.048 -4.309 1.00 31.11 C ATOM 405 OD1 ASN B 9 -1.751 -0.416 -3.258 1.00 4.14 O ATOM 406 ND2 ASN B 9 0.088 -0.025 -4.486 1.00 50.43 N ATOM 0 H ASN B 9 -4.523 0.493 -5.764 1.00 52.25 H new ATOM 0 HA ASN B 9 -2.553 -0.855 -7.152 1.00 54.41 H new ATOM 0 HB2 ASN B 9 -1.432 0.863 -6.236 1.00 10.24 H new ATOM 0 HB3 ASN B 9 -2.768 1.181 -5.148 1.00 10.24 H new ATOM 0 HD21 ASN B 9 0.709 -0.320 -3.733 1.00 50.43 H new ATOM 0 HD22 ASN B 9 0.478 0.288 -5.375 1.00 50.43 H new ATOM 413 N LEU B 10 -3.455 -2.408 -4.455 1.00 53.25 N ATOM 414 CA LEU B 10 -3.292 -3.631 -3.678 1.00 20.20 C ATOM 415 C LEU B 10 -3.129 -4.840 -4.594 1.00 22.13 C ATOM 416 O LEU B 10 -2.478 -5.822 -4.234 1.00 42.42 O ATOM 417 CB LEU B 10 -4.492 -3.836 -2.752 1.00 62.43 C ATOM 418 CG LEU B 10 -5.709 -4.523 -3.372 1.00 35.42 C ATOM 419 CD1 LEU B 10 -6.717 -4.898 -2.297 1.00 63.31 C ATOM 420 CD2 LEU B 10 -6.351 -3.626 -4.420 1.00 10.22 C ATOM 0 H LEU B 10 -4.295 -1.875 -4.230 1.00 53.25 H new ATOM 0 HA LEU B 10 -2.390 -3.531 -3.075 1.00 20.20 H new ATOM 0 HB2 LEU B 10 -4.167 -4.423 -1.893 1.00 62.43 H new ATOM 0 HB3 LEU B 10 -4.803 -2.863 -2.373 1.00 62.43 H new ATOM 0 HG LEU B 10 -5.375 -5.438 -3.861 1.00 35.42 H new ATOM 0 HD11 LEU B 10 -7.576 -5.386 -2.758 1.00 63.31 H new ATOM 0 HD12 LEU B 10 -6.252 -5.579 -1.584 1.00 63.31 H new ATOM 0 HD13 LEU B 10 -7.046 -3.998 -1.777 1.00 63.31 H new ATOM 0 HD21 LEU B 10 -7.216 -4.131 -4.851 1.00 10.22 H new ATOM 0 HD22 LEU B 10 -6.670 -2.693 -3.955 1.00 10.22 H new ATOM 0 HD23 LEU B 10 -5.628 -3.410 -5.206 1.00 10.22 H new ATOM 432 N PHE B 11 -3.723 -4.762 -5.780 1.00 31.03 N ATOM 433 CA PHE B 11 -3.643 -5.849 -6.748 1.00 1.25 C ATOM 434 C PHE B 11 -3.004 -5.373 -8.049 1.00 53.21 C ATOM 435 O PHE B 11 -3.265 -5.923 -9.119 1.00 32.52 O ATOM 436 CB PHE B 11 -5.037 -6.414 -7.028 1.00 43.43 C ATOM 437 CG PHE B 11 -5.165 -7.878 -6.717 1.00 40.32 C ATOM 438 CD1 PHE B 11 -4.642 -8.399 -5.545 1.00 22.43 C ATOM 439 CD2 PHE B 11 -5.808 -8.733 -7.597 1.00 72.14 C ATOM 440 CE1 PHE B 11 -4.757 -9.745 -5.256 1.00 10.52 C ATOM 441 CE2 PHE B 11 -5.927 -10.081 -7.313 1.00 52.23 C ATOM 442 CZ PHE B 11 -5.400 -10.587 -6.141 1.00 52.02 C ATOM 0 H PHE B 11 -4.265 -3.957 -6.094 1.00 31.03 H new ATOM 0 HA PHE B 11 -3.018 -6.635 -6.324 1.00 1.25 H new ATOM 0 HB2 PHE B 11 -5.769 -5.861 -6.440 1.00 43.43 H new ATOM 0 HB3 PHE B 11 -5.282 -6.251 -8.078 1.00 43.43 H new ATOM 0 HD1 PHE B 11 -4.138 -7.745 -4.849 1.00 22.43 H new ATOM 0 HD2 PHE B 11 -6.221 -8.342 -8.515 1.00 72.14 H new ATOM 0 HE1 PHE B 11 -4.344 -10.138 -4.339 1.00 10.52 H new ATOM 0 HE2 PHE B 11 -6.431 -10.737 -8.007 1.00 52.23 H new ATOM 0 HZ PHE B 11 -5.491 -11.640 -5.917 1.00 52.02 H new ATOM 452 N ARG B 12 -2.167 -4.346 -7.949 1.00 22.24 N ATOM 453 CA ARG B 12 -1.491 -3.795 -9.117 1.00 45.33 C ATOM 454 C ARG B 12 -0.645 -4.858 -9.809 1.00 21.32 C ATOM 455 O ARG B 12 -0.348 -4.755 -10.999 1.00 52.54 O ATOM 456 CB ARG B 12 -0.610 -2.611 -8.711 1.00 51.45 C ATOM 457 CG ARG B 12 0.522 -2.989 -7.769 1.00 51.00 C ATOM 458 CD ARG B 12 1.020 -1.785 -6.986 1.00 52.13 C ATOM 459 NE ARG B 12 1.882 -2.174 -5.873 1.00 10.15 N ATOM 460 CZ ARG B 12 2.732 -1.346 -5.277 1.00 3.22 C ATOM 461 NH1 ARG B 12 2.833 -0.088 -5.685 1.00 43.20 N ATOM 462 NH2 ARG B 12 3.482 -1.774 -4.270 1.00 1.52 N ATOM 0 H ARG B 12 -1.941 -3.879 -7.071 1.00 22.24 H new ATOM 0 HA ARG B 12 -2.252 -3.450 -9.817 1.00 45.33 H new ATOM 0 HB2 ARG B 12 -0.189 -2.158 -9.608 1.00 51.45 H new ATOM 0 HB3 ARG B 12 -1.231 -1.854 -8.233 1.00 51.45 H new ATOM 0 HG2 ARG B 12 0.179 -3.758 -7.077 1.00 51.00 H new ATOM 0 HG3 ARG B 12 1.345 -3.418 -8.341 1.00 51.00 H new ATOM 0 HD2 ARG B 12 1.568 -1.120 -7.654 1.00 52.13 H new ATOM 0 HD3 ARG B 12 0.168 -1.223 -6.605 1.00 52.13 H new ATOM 0 HE ARG B 12 1.828 -3.135 -5.535 1.00 10.15 H new ATOM 0 HH11 ARG B 12 2.257 0.245 -6.458 1.00 43.20 H new ATOM 0 HH12 ARG B 12 3.487 0.546 -5.226 1.00 43.20 H new ATOM 0 HH21 ARG B 12 3.406 -2.740 -3.952 1.00 1.52 H new ATOM 0 HH22 ARG B 12 4.134 -1.137 -3.813 1.00 1.52 H new ATOM 476 N LYS B 13 -0.257 -5.882 -9.055 1.00 63.04 N ATOM 477 CA LYS B 13 0.554 -6.966 -9.594 1.00 61.31 C ATOM 478 C LYS B 13 -0.319 -8.008 -10.285 1.00 14.42 C ATOM 479 O LYS B 13 0.170 -9.048 -10.729 1.00 0.12 O ATOM 480 CB LYS B 13 1.368 -7.625 -8.478 1.00 31.32 C ATOM 481 CG LYS B 13 2.392 -6.700 -7.844 1.00 72.11 C ATOM 482 CD LYS B 13 2.589 -7.013 -6.370 1.00 74.30 C ATOM 483 CE LYS B 13 1.567 -6.292 -5.505 1.00 11.41 C ATOM 484 NZ LYS B 13 1.435 -6.919 -4.162 1.00 3.21 N ATOM 0 H LYS B 13 -0.492 -5.983 -8.068 1.00 63.04 H new ATOM 0 HA LYS B 13 1.236 -6.543 -10.332 1.00 61.31 H new ATOM 0 HB2 LYS B 13 0.687 -7.983 -7.706 1.00 31.32 H new ATOM 0 HB3 LYS B 13 1.880 -8.499 -8.881 1.00 31.32 H new ATOM 0 HG2 LYS B 13 3.343 -6.795 -8.367 1.00 72.11 H new ATOM 0 HG3 LYS B 13 2.068 -5.665 -7.957 1.00 72.11 H new ATOM 0 HD2 LYS B 13 2.507 -8.088 -6.211 1.00 74.30 H new ATOM 0 HD3 LYS B 13 3.594 -6.721 -6.066 1.00 74.30 H new ATOM 0 HE2 LYS B 13 1.860 -5.248 -5.391 1.00 11.41 H new ATOM 0 HE3 LYS B 13 0.599 -6.299 -6.005 1.00 11.41 H new ATOM 0 HZ1 LYS B 13 0.729 -6.398 -3.604 1.00 3.21 H new ATOM 0 HZ2 LYS B 13 1.131 -7.908 -4.269 1.00 3.21 H new ATOM 0 HZ3 LYS B 13 2.353 -6.890 -3.674 1.00 3.21 H new ATOM 498 N LEU B 14 -1.614 -7.723 -10.372 1.00 75.53 N ATOM 499 CA LEU B 14 -2.556 -8.636 -11.012 1.00 11.41 C ATOM 500 C LEU B 14 -2.502 -8.500 -12.530 1.00 32.24 C ATOM 501 O LEU B 14 -1.933 -9.347 -13.220 1.00 4.40 O ATOM 502 CB LEU B 14 -3.977 -8.363 -10.515 1.00 5.51 C ATOM 503 CG LEU B 14 -5.087 -9.186 -11.170 1.00 50.24 C ATOM 504 CD1 LEU B 14 -5.209 -10.546 -10.502 1.00 23.42 C ATOM 505 CD2 LEU B 14 -6.411 -8.438 -11.107 1.00 15.11 C ATOM 0 H LEU B 14 -2.035 -6.868 -10.008 1.00 75.53 H new ATOM 0 HA LEU B 14 -2.273 -9.655 -10.747 1.00 11.41 H new ATOM 0 HB2 LEU B 14 -4.005 -8.542 -9.440 1.00 5.51 H new ATOM 0 HB3 LEU B 14 -4.197 -7.306 -10.668 1.00 5.51 H new ATOM 0 HG LEU B 14 -4.829 -9.342 -12.217 1.00 50.24 H new ATOM 0 HD11 LEU B 14 -6.004 -11.117 -10.982 1.00 23.42 H new ATOM 0 HD12 LEU B 14 -4.266 -11.085 -10.598 1.00 23.42 H new ATOM 0 HD13 LEU B 14 -5.444 -10.413 -9.446 1.00 23.42 H new ATOM 0 HD21 LEU B 14 -7.190 -9.037 -11.577 1.00 15.11 H new ATOM 0 HD22 LEU B 14 -6.675 -8.252 -10.066 1.00 15.11 H new ATOM 0 HD23 LEU B 14 -6.317 -7.488 -11.633 1.00 15.11 H new ATOM 517 N THR B 15 -3.096 -7.428 -13.045 1.00 63.30 N ATOM 518 CA THR B 15 -3.114 -7.181 -14.481 1.00 70.35 C ATOM 519 C THR B 15 -2.207 -6.013 -14.849 1.00 63.42 C ATOM 520 O THR B 15 -1.045 -6.205 -15.211 1.00 33.20 O ATOM 521 CB THR B 15 -4.540 -6.886 -14.982 1.00 70.13 C ATOM 522 OG1 THR B 15 -5.333 -6.351 -13.916 1.00 43.14 O ATOM 523 CG2 THR B 15 -5.195 -8.147 -15.524 1.00 60.03 C ATOM 0 H THR B 15 -3.571 -6.717 -12.489 1.00 63.30 H new ATOM 0 HA THR B 15 -2.748 -8.088 -14.962 1.00 70.35 H new ATOM 0 HB THR B 15 -4.474 -6.155 -15.788 1.00 70.13 H new ATOM 0 HG1 THR B 15 -6.238 -6.164 -14.243 1.00 43.14 H new ATOM 0 HG21 THR B 15 -6.201 -7.914 -15.872 1.00 60.03 H new ATOM 0 HG22 THR B 15 -4.605 -8.535 -16.354 1.00 60.03 H new ATOM 0 HG23 THR B 15 -5.249 -8.897 -14.735 1.00 60.03 H new ATOM 531 N HIS B 16 -2.742 -4.800 -14.754 1.00 30.14 N ATOM 532 CA HIS B 16 -1.979 -3.599 -15.077 1.00 0.34 C ATOM 533 C HIS B 16 -0.644 -3.590 -14.339 1.00 22.42 C ATOM 534 O HIS B 16 -0.587 -3.308 -13.141 1.00 34.55 O ATOM 535 CB HIS B 16 -2.781 -2.348 -14.719 1.00 11.34 C ATOM 536 CG HIS B 16 -4.209 -2.402 -15.170 1.00 21.43 C ATOM 537 ND1 HIS B 16 -5.265 -2.588 -14.303 1.00 62.23 N ATOM 538 CD2 HIS B 16 -4.752 -2.292 -16.404 1.00 34.24 C ATOM 539 CE1 HIS B 16 -6.396 -2.591 -14.985 1.00 15.22 C ATOM 540 NE2 HIS B 16 -6.113 -2.414 -16.263 1.00 60.31 N ATOM 0 H HIS B 16 -3.701 -4.622 -14.456 1.00 30.14 H new ATOM 0 HA HIS B 16 -1.782 -3.600 -16.149 1.00 0.34 H new ATOM 0 HB2 HIS B 16 -2.755 -2.207 -13.639 1.00 11.34 H new ATOM 0 HB3 HIS B 16 -2.300 -1.478 -15.166 1.00 11.34 H new ATOM 0 HD2 HIS B 16 -4.215 -2.137 -17.328 1.00 34.24 H new ATOM 0 HE1 HIS B 16 -7.384 -2.717 -14.568 1.00 15.22 H new ATOM 0 HE2 HIS B 16 -6.794 -2.374 -17.021 1.00 60.31 H new ATOM 548 N ARG B 17 0.428 -3.901 -15.060 1.00 73.42 N ATOM 549 CA ARG B 17 1.762 -3.930 -14.473 1.00 34.21 C ATOM 550 C ARG B 17 2.444 -2.572 -14.606 1.00 71.25 C ATOM 551 O ARG B 17 3.337 -2.234 -13.827 1.00 52.20 O ATOM 552 CB ARG B 17 2.615 -5.009 -15.145 1.00 52.25 C ATOM 553 CG ARG B 17 2.910 -4.727 -16.609 1.00 62.12 C ATOM 554 CD ARG B 17 2.975 -6.010 -17.422 1.00 74.44 C ATOM 555 NE ARG B 17 4.345 -6.489 -17.581 1.00 23.23 N ATOM 556 CZ ARG B 17 5.260 -5.868 -18.317 1.00 71.20 C ATOM 557 NH1 ARG B 17 4.953 -4.750 -18.958 1.00 53.43 N ATOM 558 NH2 ARG B 17 6.486 -6.367 -18.413 1.00 4.01 N ATOM 0 H ARG B 17 0.399 -4.137 -16.052 1.00 73.42 H new ATOM 0 HA ARG B 17 1.660 -4.164 -13.413 1.00 34.21 H new ATOM 0 HB2 ARG B 17 3.557 -5.104 -14.605 1.00 52.25 H new ATOM 0 HB3 ARG B 17 2.103 -5.968 -15.064 1.00 52.25 H new ATOM 0 HG2 ARG B 17 2.138 -4.075 -17.018 1.00 62.12 H new ATOM 0 HG3 ARG B 17 3.856 -4.193 -16.694 1.00 62.12 H new ATOM 0 HD2 ARG B 17 2.377 -6.779 -16.934 1.00 74.44 H new ATOM 0 HD3 ARG B 17 2.535 -5.839 -18.404 1.00 74.44 H new ATOM 0 HE ARG B 17 4.614 -7.348 -17.101 1.00 23.23 H new ATOM 0 HH11 ARG B 17 4.012 -4.364 -18.887 1.00 53.43 H new ATOM 0 HH12 ARG B 17 5.658 -4.276 -19.522 1.00 53.43 H new ATOM 0 HH21 ARG B 17 6.726 -7.228 -17.921 1.00 4.01 H new ATOM 0 HH22 ARG B 17 7.188 -5.890 -18.978 1.00 4.01 H new ATOM 572 N LEU B 18 2.020 -1.796 -15.598 1.00 3.04 N ATOM 573 CA LEU B 18 2.589 -0.474 -15.833 1.00 20.12 C ATOM 574 C LEU B 18 2.234 0.482 -14.699 1.00 13.21 C ATOM 575 O LEU B 18 2.808 1.565 -14.583 1.00 34.15 O ATOM 576 CB LEU B 18 2.091 0.088 -17.165 1.00 70.13 C ATOM 577 CG LEU B 18 0.591 -0.047 -17.432 1.00 10.03 C ATOM 578 CD1 LEU B 18 -0.010 1.300 -17.800 1.00 22.43 C ATOM 579 CD2 LEU B 18 0.334 -1.067 -18.532 1.00 61.10 C ATOM 0 H LEU B 18 1.284 -2.060 -16.253 1.00 3.04 H new ATOM 0 HA LEU B 18 3.674 -0.574 -15.871 1.00 20.12 H new ATOM 0 HB2 LEU B 18 2.354 1.145 -17.212 1.00 70.13 H new ATOM 0 HB3 LEU B 18 2.629 -0.411 -17.971 1.00 70.13 H new ATOM 0 HG LEU B 18 0.110 -0.398 -16.519 1.00 10.03 H new ATOM 0 HD11 LEU B 18 -1.078 1.183 -17.986 1.00 22.43 H new ATOM 0 HD12 LEU B 18 0.141 2.002 -16.980 1.00 22.43 H new ATOM 0 HD13 LEU B 18 0.475 1.682 -18.698 1.00 22.43 H new ATOM 0 HD21 LEU B 18 -0.738 -1.150 -18.708 1.00 61.10 H new ATOM 0 HD22 LEU B 18 0.829 -0.746 -19.449 1.00 61.10 H new ATOM 0 HD23 LEU B 18 0.728 -2.037 -18.228 1.00 61.10 H new ATOM 591 N PHE B 19 1.284 0.074 -13.865 1.00 3.45 N ATOM 592 CA PHE B 19 0.852 0.893 -12.738 1.00 52.33 C ATOM 593 C PHE B 19 1.820 0.761 -11.566 1.00 2.42 C ATOM 594 O PHE B 19 1.900 1.643 -10.711 1.00 24.50 O ATOM 595 CB PHE B 19 -0.557 0.491 -12.298 1.00 54.21 C ATOM 596 CG PHE B 19 -1.613 1.488 -12.683 1.00 62.03 C ATOM 597 CD1 PHE B 19 -2.676 1.115 -13.489 1.00 3.03 C ATOM 598 CD2 PHE B 19 -1.541 2.798 -12.239 1.00 1.12 C ATOM 599 CE1 PHE B 19 -3.650 2.029 -13.844 1.00 21.11 C ATOM 600 CE2 PHE B 19 -2.512 3.717 -12.591 1.00 21.01 C ATOM 601 CZ PHE B 19 -3.567 3.333 -13.395 1.00 74.23 C ATOM 0 H PHE B 19 0.798 -0.819 -13.948 1.00 3.45 H new ATOM 0 HA PHE B 19 0.841 1.934 -13.061 1.00 52.33 H new ATOM 0 HB2 PHE B 19 -0.804 -0.476 -12.737 1.00 54.21 H new ATOM 0 HB3 PHE B 19 -0.568 0.362 -11.216 1.00 54.21 H new ATOM 0 HD1 PHE B 19 -2.745 0.097 -13.844 1.00 3.03 H new ATOM 0 HD2 PHE B 19 -0.718 3.105 -11.611 1.00 1.12 H new ATOM 0 HE1 PHE B 19 -4.475 1.724 -14.471 1.00 21.11 H new ATOM 0 HE2 PHE B 19 -2.445 4.735 -12.237 1.00 21.01 H new ATOM 0 HZ PHE B 19 -4.325 4.050 -13.672 1.00 74.23 H new ATOM 611 N ARG B 20 2.553 -0.347 -11.533 1.00 35.12 N ATOM 612 CA ARG B 20 3.514 -0.597 -10.466 1.00 45.35 C ATOM 613 C ARG B 20 4.944 -0.512 -10.992 1.00 42.43 C ATOM 614 O ARG B 20 5.850 -0.070 -10.286 1.00 3.25 O ATOM 615 CB ARG B 20 3.270 -1.972 -9.842 1.00 11.12 C ATOM 616 CG ARG B 20 4.350 -2.395 -8.860 1.00 15.13 C ATOM 617 CD ARG B 20 5.073 -3.647 -9.332 1.00 51.42 C ATOM 618 NE ARG B 20 6.484 -3.638 -8.957 1.00 34.21 N ATOM 619 CZ ARG B 20 6.926 -3.968 -7.748 1.00 54.54 C ATOM 620 NH1 ARG B 20 6.070 -4.331 -6.803 1.00 70.40 N ATOM 621 NH2 ARG B 20 8.225 -3.936 -7.484 1.00 65.31 N ATOM 0 H ARG B 20 2.499 -1.086 -12.234 1.00 35.12 H new ATOM 0 HA ARG B 20 3.379 0.170 -9.703 1.00 45.35 H new ATOM 0 HB2 ARG B 20 2.308 -1.964 -9.330 1.00 11.12 H new ATOM 0 HB3 ARG B 20 3.202 -2.715 -10.636 1.00 11.12 H new ATOM 0 HG2 ARG B 20 5.068 -1.584 -8.735 1.00 15.13 H new ATOM 0 HG3 ARG B 20 3.903 -2.578 -7.883 1.00 15.13 H new ATOM 0 HD2 ARG B 20 4.590 -4.527 -8.906 1.00 51.42 H new ATOM 0 HD3 ARG B 20 4.986 -3.729 -10.415 1.00 51.42 H new ATOM 0 HE ARG B 20 7.168 -3.363 -9.662 1.00 34.21 H new ATOM 0 HH11 ARG B 20 5.070 -4.357 -7.003 1.00 70.40 H new ATOM 0 HH12 ARG B 20 6.411 -4.584 -5.876 1.00 70.40 H new ATOM 0 HH21 ARG B 20 8.886 -3.658 -8.209 1.00 65.31 H new ATOM 0 HH22 ARG B 20 8.563 -4.189 -6.556 1.00 65.31 H new ATOM 635 N ARG B 21 5.138 -0.936 -12.237 1.00 5.04 N ATOM 636 CA ARG B 21 6.458 -0.910 -12.855 1.00 11.10 C ATOM 637 C ARG B 21 6.792 0.490 -13.362 1.00 12.10 C ATOM 638 O ARG B 21 7.959 0.827 -13.560 1.00 42.52 O ATOM 639 CB ARG B 21 6.523 -1.911 -14.010 1.00 53.20 C ATOM 640 CG ARG B 21 7.852 -2.642 -14.108 1.00 11.35 C ATOM 641 CD ARG B 21 7.655 -4.111 -14.447 1.00 34.23 C ATOM 642 NE ARG B 21 8.771 -4.934 -13.989 1.00 25.32 N ATOM 643 CZ ARG B 21 9.975 -4.916 -14.548 1.00 72.51 C ATOM 644 NH1 ARG B 21 10.219 -4.122 -15.582 1.00 54.42 N ATOM 645 NH2 ARG B 21 10.940 -5.693 -14.074 1.00 21.44 N ATOM 0 H ARG B 21 4.398 -1.301 -12.837 1.00 5.04 H new ATOM 0 HA ARG B 21 7.192 -1.189 -12.099 1.00 11.10 H new ATOM 0 HB2 ARG B 21 5.724 -2.642 -13.891 1.00 53.20 H new ATOM 0 HB3 ARG B 21 6.337 -1.385 -14.946 1.00 53.20 H new ATOM 0 HG2 ARG B 21 8.472 -2.171 -14.871 1.00 11.35 H new ATOM 0 HG3 ARG B 21 8.388 -2.554 -13.163 1.00 11.35 H new ATOM 0 HD2 ARG B 21 6.731 -4.467 -13.991 1.00 34.23 H new ATOM 0 HD3 ARG B 21 7.542 -4.222 -15.525 1.00 34.23 H new ATOM 0 HE ARG B 21 8.617 -5.557 -13.196 1.00 25.32 H new ATOM 0 HH11 ARG B 21 9.480 -3.523 -15.950 1.00 54.42 H new ATOM 0 HH12 ARG B 21 11.145 -4.111 -16.009 1.00 54.42 H new ATOM 0 HH21 ARG B 21 10.757 -6.305 -13.279 1.00 21.44 H new ATOM 0 HH22 ARG B 21 11.865 -5.678 -14.505 1.00 21.44 H new ATOM 659 N ASN B 22 5.760 1.301 -13.572 1.00 11.14 N ATOM 660 CA ASN B 22 5.944 2.663 -14.056 1.00 41.33 C ATOM 661 C ASN B 22 5.380 3.675 -13.063 1.00 71.21 C ATOM 662 O ASN B 22 6.071 4.609 -12.653 1.00 0.31 O ATOM 663 CB ASN B 22 5.268 2.838 -15.418 1.00 44.52 C ATOM 664 CG ASN B 22 6.113 3.646 -16.383 1.00 71.34 C ATOM 665 OD1 ASN B 22 7.342 3.596 -16.341 1.00 63.42 O ATOM 666 ND2 ASN B 22 5.456 4.395 -17.261 1.00 25.12 N ATOM 0 H ASN B 22 4.787 1.038 -13.414 1.00 11.14 H new ATOM 0 HA ASN B 22 7.014 2.842 -14.162 1.00 41.33 H new ATOM 0 HB2 ASN B 22 5.066 1.857 -15.849 1.00 44.52 H new ATOM 0 HB3 ASN B 22 4.305 3.331 -15.282 1.00 44.52 H new ATOM 0 HD21 ASN B 22 5.971 4.959 -17.937 1.00 25.12 H new ATOM 0 HD22 ASN B 22 4.436 4.406 -17.260 1.00 25.12 H new ATOM 673 N PHE B 23 4.122 3.483 -12.679 1.00 34.44 N ATOM 674 CA PHE B 23 3.466 4.378 -11.734 1.00 52.15 C ATOM 675 C PHE B 23 3.662 3.894 -10.301 1.00 0.22 C ATOM 676 O PHE B 23 3.015 4.382 -9.375 1.00 30.31 O ATOM 677 CB PHE B 23 1.973 4.481 -12.050 1.00 40.41 C ATOM 678 CG PHE B 23 1.682 5.134 -13.372 1.00 21.52 C ATOM 679 CD1 PHE B 23 1.368 4.369 -14.482 1.00 53.44 C ATOM 680 CD2 PHE B 23 1.727 6.513 -13.502 1.00 73.21 C ATOM 681 CE1 PHE B 23 1.100 4.966 -15.700 1.00 1.31 C ATOM 682 CE2 PHE B 23 1.460 7.115 -14.717 1.00 60.23 C ATOM 683 CZ PHE B 23 1.147 6.342 -15.818 1.00 11.14 C ATOM 0 H PHE B 23 3.537 2.715 -13.008 1.00 34.44 H new ATOM 0 HA PHE B 23 3.920 5.364 -11.831 1.00 52.15 H new ATOM 0 HB2 PHE B 23 1.539 3.481 -12.045 1.00 40.41 H new ATOM 0 HB3 PHE B 23 1.481 5.046 -11.259 1.00 40.41 H new ATOM 0 HD1 PHE B 23 1.332 3.293 -14.396 1.00 53.44 H new ATOM 0 HD2 PHE B 23 1.973 7.123 -12.646 1.00 73.21 H new ATOM 0 HE1 PHE B 23 0.854 4.358 -16.558 1.00 1.31 H new ATOM 0 HE2 PHE B 23 1.496 8.191 -14.806 1.00 60.23 H new ATOM 0 HZ PHE B 23 0.940 6.812 -16.768 1.00 11.14 H new ATOM 693 N GLY B 24 4.560 2.929 -10.126 1.00 13.24 N ATOM 694 CA GLY B 24 4.825 2.394 -8.803 1.00 54.00 C ATOM 695 C GLY B 24 6.207 2.756 -8.297 1.00 20.25 C ATOM 696 O GLY B 24 6.481 2.666 -7.101 1.00 23.24 O ATOM 0 H GLY B 24 5.108 2.508 -10.876 1.00 13.24 H new ATOM 0 HA2 GLY B 24 4.076 2.770 -8.106 1.00 54.00 H new ATOM 0 HA3 GLY B 24 4.723 1.309 -8.826 1.00 54.00 H new ATOM 700 N TYR B 25 7.081 3.166 -9.210 1.00 42.41 N ATOM 701 CA TYR B 25 8.444 3.539 -8.851 1.00 52.31 C ATOM 702 C TYR B 25 8.448 4.560 -7.717 1.00 14.12 C ATOM 703 O TYR B 25 9.372 4.600 -6.904 1.00 0.53 O ATOM 704 CB TYR B 25 9.176 4.108 -10.067 1.00 62.32 C ATOM 705 CG TYR B 25 10.024 3.090 -10.794 1.00 33.44 C ATOM 706 CD1 TYR B 25 9.511 1.841 -11.128 1.00 64.01 C ATOM 707 CD2 TYR B 25 11.337 3.373 -11.146 1.00 62.40 C ATOM 708 CE1 TYR B 25 10.283 0.907 -11.792 1.00 52.43 C ATOM 709 CE2 TYR B 25 12.116 2.446 -11.812 1.00 12.22 C ATOM 710 CZ TYR B 25 11.584 1.213 -12.132 1.00 44.13 C ATOM 711 OH TYR B 25 12.356 0.286 -12.793 1.00 52.34 O ATOM 0 H TYR B 25 6.869 3.248 -10.204 1.00 42.41 H new ATOM 0 HA TYR B 25 8.962 2.642 -8.510 1.00 52.31 H new ATOM 0 HB2 TYR B 25 8.444 4.521 -10.761 1.00 62.32 H new ATOM 0 HB3 TYR B 25 9.811 4.934 -9.745 1.00 62.32 H new ATOM 0 HD1 TYR B 25 8.493 1.597 -10.864 1.00 64.01 H new ATOM 0 HD2 TYR B 25 11.757 4.336 -10.895 1.00 62.40 H new ATOM 0 HE1 TYR B 25 9.869 -0.058 -12.044 1.00 52.43 H new ATOM 0 HE2 TYR B 25 13.135 2.685 -12.080 1.00 12.22 H new ATOM 0 HH TYR B 25 13.246 0.660 -12.959 1.00 52.34 H new ATOM 721 N THR B 26 7.406 5.385 -7.668 1.00 54.22 N ATOM 722 CA THR B 26 7.288 6.407 -6.636 1.00 64.34 C ATOM 723 C THR B 26 7.428 5.801 -5.244 1.00 71.31 C ATOM 724 O THR B 26 6.531 5.106 -4.766 1.00 2.33 O ATOM 725 CB THR B 26 5.939 7.146 -6.729 1.00 64.44 C ATOM 726 OG1 THR B 26 4.993 6.349 -7.449 1.00 73.04 O ATOM 727 CG2 THR B 26 6.106 8.492 -7.418 1.00 70.35 C ATOM 0 H THR B 26 6.632 5.365 -8.332 1.00 54.22 H new ATOM 0 HA THR B 26 8.096 7.119 -6.802 1.00 64.34 H new ATOM 0 HB THR B 26 5.573 7.317 -5.717 1.00 64.44 H new ATOM 0 HG1 THR B 26 4.625 6.870 -8.193 1.00 73.04 H new ATOM 0 HG21 THR B 26 5.141 8.995 -7.472 1.00 70.35 H new ATOM 0 HG22 THR B 26 6.805 9.107 -6.851 1.00 70.35 H new ATOM 0 HG23 THR B 26 6.493 8.339 -8.426 1.00 70.35 H new ATOM 735 N LEU B 27 8.558 6.069 -4.599 1.00 52.30 N ATOM 736 CA LEU B 27 8.815 5.550 -3.259 1.00 55.24 C ATOM 737 C LEU B 27 8.914 6.685 -2.245 1.00 52.43 C ATOM 738 O LEU B 27 8.650 6.495 -1.058 1.00 62.00 O ATOM 739 CB LEU B 27 10.104 4.728 -3.249 1.00 64.00 C ATOM 740 CG LEU B 27 9.962 3.251 -3.619 1.00 64.43 C ATOM 741 CD1 LEU B 27 11.133 2.802 -4.480 1.00 1.22 C ATOM 742 CD2 LEU B 27 9.859 2.395 -2.366 1.00 13.54 C ATOM 0 H LEU B 27 9.310 6.642 -4.981 1.00 52.30 H new ATOM 0 HA LEU B 27 7.980 4.909 -2.978 1.00 55.24 H new ATOM 0 HB2 LEU B 27 10.810 5.189 -3.940 1.00 64.00 H new ATOM 0 HB3 LEU B 27 10.544 4.792 -2.254 1.00 64.00 H new ATOM 0 HG LEU B 27 9.045 3.127 -4.195 1.00 64.43 H new ATOM 0 HD11 LEU B 27 11.015 1.748 -4.734 1.00 1.22 H new ATOM 0 HD12 LEU B 27 11.161 3.395 -5.394 1.00 1.22 H new ATOM 0 HD13 LEU B 27 12.064 2.941 -3.930 1.00 1.22 H new ATOM 0 HD21 LEU B 27 9.759 1.347 -2.649 1.00 13.54 H new ATOM 0 HD22 LEU B 27 10.758 2.524 -1.763 1.00 13.54 H new ATOM 0 HD23 LEU B 27 8.987 2.700 -1.788 1.00 13.54 H new ATOM 754 N ARG B 28 9.293 7.866 -2.722 1.00 42.22 N ATOM 755 CA ARG B 28 9.425 9.033 -1.858 1.00 70.40 C ATOM 756 C ARG B 28 8.367 10.080 -2.192 1.00 4.35 C ATOM 757 O ARG B 28 8.686 11.243 -2.437 1.00 74.11 O ATOM 758 CB ARG B 28 10.822 9.642 -1.997 1.00 32.24 C ATOM 759 CG ARG B 28 11.206 9.962 -3.433 1.00 24.02 C ATOM 760 CD ARG B 28 12.479 9.240 -3.843 1.00 22.53 C ATOM 761 NE ARG B 28 13.294 10.041 -4.753 1.00 73.22 N ATOM 762 CZ ARG B 28 13.002 10.219 -6.037 1.00 13.41 C ATOM 763 NH1 ARG B 28 11.919 9.657 -6.558 1.00 42.24 N ATOM 764 NH2 ARG B 28 13.791 10.961 -6.802 1.00 64.32 N ATOM 0 H ARG B 28 9.514 8.040 -3.702 1.00 42.22 H new ATOM 0 HA ARG B 28 9.278 8.709 -0.828 1.00 70.40 H new ATOM 0 HB2 ARG B 28 10.872 10.555 -1.404 1.00 32.24 H new ATOM 0 HB3 ARG B 28 11.554 8.951 -1.579 1.00 32.24 H new ATOM 0 HG2 ARG B 28 10.393 9.676 -4.100 1.00 24.02 H new ATOM 0 HG3 ARG B 28 11.345 11.038 -3.543 1.00 24.02 H new ATOM 0 HD2 ARG B 28 13.061 8.998 -2.954 1.00 22.53 H new ATOM 0 HD3 ARG B 28 12.222 8.296 -4.323 1.00 22.53 H new ATOM 0 HE ARG B 28 14.133 10.488 -4.383 1.00 73.22 H new ATOM 0 HH11 ARG B 28 11.308 9.087 -5.973 1.00 42.24 H new ATOM 0 HH12 ARG B 28 11.697 9.795 -7.544 1.00 42.24 H new ATOM 0 HH21 ARG B 28 14.624 11.396 -6.405 1.00 64.32 H new ATOM 0 HH22 ARG B 28 13.565 11.096 -7.787 1.00 64.32 H new TER 778 ARG B 28