USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 453 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: B 14 ASN : amide:sc= -1.02 K(o=-3.4,f=-5.1) USER MOD Set 1.2: B 17 THR OG1 : rot -150:sc= -2.4 USER MOD Set 2.1: A 14 ASN : amide:sc= -15.8! C(o=-19!,f=-32!) USER MOD Set 2.2: A 17 THR OG1 : rot 164:sc= -3.41! USER MOD Set 3.1: A 10 CYS SG : rot -73:sc= -8.65! USER MOD Set 3.2: B 10 CYS SG : rot 107:sc= -11.6! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.447 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -5.85! C(o=-5.9!,f=-3.6!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ -147:sc= -1.2 (180deg=-3.06!) USER MOD Single : B 1 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000353) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot 15:sc= -1.99 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -5.76! C(o=-5.8!,f=-5.2!) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LEU A 2 6.415 4.206 -12.545 1.00 0.00 N ATOM 26 CA LEU A 2 7.755 4.001 -12.012 1.00 0.00 C ATOM 27 C LEU A 2 8.534 2.805 -12.634 1.00 0.00 C ATOM 28 O LEU A 2 7.996 1.932 -13.317 1.00 0.00 O ATOM 29 CB LEU A 2 7.695 3.903 -10.482 1.00 0.00 C ATOM 30 CG LEU A 2 7.301 2.560 -9.955 1.00 0.00 C ATOM 31 CD1 LEU A 2 6.850 2.642 -8.546 1.00 0.00 C ATOM 32 CD2 LEU A 2 6.196 2.030 -10.764 1.00 0.00 C ATOM 0 HA LEU A 2 8.335 4.876 -12.305 1.00 0.00 H new ATOM 0 HB2 LEU A 2 8.672 4.164 -10.077 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.987 4.645 -10.112 1.00 0.00 H new ATOM 0 HG LEU A 2 8.173 1.909 -10.007 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.571 1.648 -8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 2 7.658 3.032 -7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.988 3.306 -8.478 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.904 1.051 -10.384 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.345 2.709 -10.707 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.517 1.936 -11.801 1.00 0.00 H new ATOM 44 N PRO A 3 9.841 2.828 -12.354 1.00 0.00 N ATOM 45 CA PRO A 3 10.882 1.867 -12.784 1.00 0.00 C ATOM 46 C PRO A 3 10.604 0.412 -12.499 1.00 0.00 C ATOM 47 O PRO A 3 9.748 0.059 -11.694 1.00 0.00 O ATOM 48 CB PRO A 3 12.091 2.267 -11.958 1.00 0.00 C ATOM 49 CG PRO A 3 11.861 3.684 -11.614 1.00 0.00 C ATOM 50 CD PRO A 3 10.388 3.873 -11.537 1.00 0.00 C ATOM 0 HA PRO A 3 10.978 1.922 -13.868 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.179 1.652 -11.062 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.015 2.142 -12.523 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.333 3.933 -10.663 1.00 0.00 H new ATOM 0 HG3 PRO A 3 12.296 4.340 -12.367 1.00 0.00 H new ATOM 0 HD2 PRO A 3 10.033 3.798 -10.509 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.096 4.857 -11.905 1.00 0.00 H new ATOM 58 N PRO A 4 11.387 -0.449 -13.157 1.00 0.00 N ATOM 59 CA PRO A 4 11.336 -1.893 -13.005 1.00 0.00 C ATOM 60 C PRO A 4 11.505 -2.329 -11.591 1.00 0.00 C ATOM 61 O PRO A 4 12.093 -1.628 -10.766 1.00 0.00 O ATOM 62 CB PRO A 4 12.481 -2.338 -13.848 1.00 0.00 C ATOM 63 CG PRO A 4 12.512 -1.322 -14.879 1.00 0.00 C ATOM 64 CD PRO A 4 12.434 -0.097 -14.113 1.00 0.00 C ATOM 0 HA PRO A 4 10.374 -2.315 -13.297 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.413 -2.374 -13.284 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.320 -3.334 -14.262 1.00 0.00 H new ATOM 0 HG2 PRO A 4 13.425 -1.373 -15.472 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.677 -1.421 -15.572 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.377 0.147 -13.624 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.162 0.761 -14.729 1.00 0.00 H new ATOM 72 N GLY A 5 10.958 -3.486 -11.318 1.00 0.00 N ATOM 73 CA GLY A 5 11.011 -4.019 -9.995 1.00 0.00 C ATOM 74 C GLY A 5 10.014 -3.353 -9.056 1.00 0.00 C ATOM 75 O GLY A 5 9.550 -3.979 -8.102 1.00 0.00 O ATOM 0 H GLY A 5 10.473 -4.071 -11.998 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.812 -5.090 -10.030 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.018 -3.895 -9.597 1.00 0.00 H new ATOM 79 N TRP A 6 9.671 -2.084 -9.331 1.00 0.00 N ATOM 80 CA TRP A 6 8.729 -1.350 -8.519 1.00 0.00 C ATOM 81 C TRP A 6 7.324 -1.852 -8.753 1.00 0.00 C ATOM 82 O TRP A 6 6.981 -2.306 -9.847 1.00 0.00 O ATOM 83 CB TRP A 6 8.734 0.132 -8.878 1.00 0.00 C ATOM 84 CG TRP A 6 9.721 0.983 -8.185 1.00 0.00 C ATOM 85 CD1 TRP A 6 10.623 1.742 -8.799 1.00 0.00 C ATOM 86 CD2 TRP A 6 9.862 1.230 -6.806 1.00 0.00 C ATOM 87 NE1 TRP A 6 11.426 2.366 -7.892 1.00 0.00 N ATOM 88 CE2 TRP A 6 10.963 2.072 -6.640 1.00 0.00 C ATOM 89 CE3 TRP A 6 9.197 0.799 -5.702 1.00 0.00 C ATOM 90 CZ2 TRP A 6 11.391 2.476 -5.386 1.00 0.00 C ATOM 91 CZ3 TRP A 6 9.607 1.203 -4.478 1.00 0.00 C ATOM 92 CH2 TRP A 6 10.683 2.017 -4.318 1.00 0.00 C ATOM 0 H TRP A 6 10.044 -1.555 -10.119 1.00 0.00 H new ATOM 0 HA TRP A 6 9.028 -1.493 -7.481 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.904 0.221 -9.951 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.740 0.533 -8.678 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.708 1.849 -9.870 1.00 0.00 H new ATOM 0 HE1 TRP A 6 12.233 2.951 -8.110 1.00 0.00 H new ATOM 0 HE3 TRP A 6 8.348 0.139 -5.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.246 3.124 -5.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 9.065 0.870 -3.605 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.983 2.306 -3.322 1.00 0.00 H new ATOM 103 N GLU A 7 6.507 -1.707 -7.739 1.00 0.00 N ATOM 104 CA GLU A 7 5.114 -2.077 -7.827 1.00 0.00 C ATOM 105 C GLU A 7 4.355 -1.453 -6.686 1.00 0.00 C ATOM 106 O GLU A 7 4.490 -1.864 -5.536 1.00 0.00 O ATOM 107 CB GLU A 7 4.905 -3.589 -7.836 1.00 0.00 C ATOM 108 CG GLU A 7 5.752 -4.354 -6.824 1.00 0.00 C ATOM 109 CD GLU A 7 5.372 -5.819 -6.735 1.00 0.00 C ATOM 110 OE1 GLU A 7 4.464 -6.150 -5.943 1.00 0.00 O ATOM 111 OE2 GLU A 7 5.984 -6.637 -7.455 1.00 0.00 O ATOM 0 H GLU A 7 6.786 -1.331 -6.833 1.00 0.00 H new ATOM 0 HA GLU A 7 4.735 -1.703 -8.778 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.853 -3.798 -7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.126 -3.967 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.803 -4.271 -7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.642 -3.894 -5.842 1.00 0.00 H new ATOM 118 N LYS A 8 3.576 -0.441 -7.020 1.00 0.00 N ATOM 119 CA LYS A 8 2.788 0.276 -6.024 1.00 0.00 C ATOM 120 C LYS A 8 2.009 -0.733 -5.158 1.00 0.00 C ATOM 121 O LYS A 8 1.365 -1.637 -5.695 1.00 0.00 O ATOM 122 CB LYS A 8 1.772 1.232 -6.709 1.00 0.00 C ATOM 123 CG LYS A 8 1.202 2.287 -5.765 1.00 0.00 C ATOM 124 CD LYS A 8 0.241 3.221 -6.485 1.00 0.00 C ATOM 125 CE LYS A 8 -0.050 4.466 -5.660 1.00 0.00 C ATOM 126 NZ LYS A 8 -0.850 5.466 -6.422 1.00 0.00 N ATOM 0 H LYS A 8 3.469 -0.094 -7.973 1.00 0.00 H new ATOM 0 HA LYS A 8 3.469 0.861 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.261 1.730 -7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.953 0.644 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.685 1.797 -4.940 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.017 2.866 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.666 3.511 -7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.691 2.696 -6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.589 4.184 -4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.890 4.919 -5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.026 6.298 -5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.325 5.755 -7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.758 5.043 -6.703 1.00 0.00 H new ATOM 140 N ARG A 9 2.064 -0.585 -3.832 1.00 0.00 N ATOM 141 CA ARG A 9 1.352 -1.503 -2.931 1.00 0.00 C ATOM 142 C ARG A 9 0.426 -0.739 -1.988 1.00 0.00 C ATOM 143 O ARG A 9 0.857 -0.275 -0.932 1.00 0.00 O ATOM 144 CB ARG A 9 2.343 -2.345 -2.111 1.00 0.00 C ATOM 145 CG ARG A 9 3.454 -2.973 -2.938 1.00 0.00 C ATOM 146 CD ARG A 9 3.209 -4.453 -3.179 1.00 0.00 C ATOM 147 NE ARG A 9 3.093 -5.193 -1.967 1.00 0.00 N ATOM 148 CZ ARG A 9 4.087 -5.848 -1.408 1.00 0.00 C ATOM 149 NH1 ARG A 9 5.348 -5.702 -1.811 1.00 0.00 N ATOM 150 NH2 ARG A 9 3.784 -6.643 -0.435 1.00 0.00 N ATOM 0 H ARG A 9 2.587 0.152 -3.360 1.00 0.00 H new ATOM 0 HA ARG A 9 0.750 -2.168 -3.551 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.789 -1.715 -1.341 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.795 -3.135 -1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.531 -2.457 -3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.407 -2.841 -2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.298 -4.576 -3.764 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.027 -4.861 -3.773 1.00 0.00 H new ATOM 0 HE ARG A 9 2.184 -5.216 -1.505 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.568 -5.065 -2.577 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.094 -6.227 -1.354 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.813 -6.737 -0.137 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.516 -7.176 0.035 1.00 0.00 H new ATOM 164 N CYS A 10 -0.847 -0.612 -2.371 1.00 0.00 N ATOM 165 CA CYS A 10 -1.822 0.105 -1.546 1.00 0.00 C ATOM 166 C CYS A 10 -2.704 -0.855 -0.755 1.00 0.00 C ATOM 167 O CYS A 10 -3.734 -1.323 -1.247 1.00 0.00 O ATOM 168 CB CYS A 10 -2.683 1.043 -2.401 1.00 0.00 C ATOM 169 SG CYS A 10 -1.784 1.818 -3.785 1.00 0.00 S ATOM 0 H CYS A 10 -1.224 -0.993 -3.239 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.260 0.707 -0.832 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.528 0.482 -2.799 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.092 1.826 -1.763 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.987 2.736 -3.325 1.00 0.00 H new ATOM 174 N PHE A 11 -2.297 -1.128 0.487 1.00 0.00 N ATOM 175 CA PHE A 11 -3.052 -2.013 1.363 1.00 0.00 C ATOM 176 C PHE A 11 -3.786 -1.210 2.441 1.00 0.00 C ATOM 177 O PHE A 11 -3.215 -0.306 3.054 1.00 0.00 O ATOM 178 CB PHE A 11 -2.133 -3.053 2.037 1.00 0.00 C ATOM 179 CG PHE A 11 -1.221 -2.472 3.079 1.00 0.00 C ATOM 180 CD1 PHE A 11 -1.696 -2.231 4.358 1.00 0.00 C ATOM 181 CD2 PHE A 11 0.098 -2.169 2.787 1.00 0.00 C ATOM 182 CE1 PHE A 11 -0.871 -1.697 5.329 1.00 0.00 C ATOM 183 CE2 PHE A 11 0.928 -1.636 3.755 1.00 0.00 C ATOM 184 CZ PHE A 11 0.443 -1.400 5.026 1.00 0.00 C ATOM 0 H PHE A 11 -1.448 -0.747 0.904 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.780 -2.538 0.745 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.750 -3.825 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.530 -3.541 1.271 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.723 -2.463 4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.482 -2.351 1.794 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.253 -1.512 6.322 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.956 -1.404 3.517 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.091 -0.983 5.783 1.00 0.00 H new ATOM 194 N TYR A 12 -5.035 -1.577 2.694 1.00 0.00 N ATOM 195 CA TYR A 12 -5.835 -0.942 3.730 1.00 0.00 C ATOM 196 C TYR A 12 -5.424 -1.516 5.075 1.00 0.00 C ATOM 197 O TYR A 12 -5.116 -2.704 5.163 1.00 0.00 O ATOM 198 CB TYR A 12 -7.327 -1.204 3.507 1.00 0.00 C ATOM 199 CG TYR A 12 -7.996 -0.091 2.734 1.00 0.00 C ATOM 200 CD1 TYR A 12 -8.479 1.022 3.380 1.00 0.00 C ATOM 201 CD2 TYR A 12 -8.159 -0.157 1.358 1.00 0.00 C ATOM 202 CE1 TYR A 12 -9.112 2.021 2.711 1.00 0.00 C ATOM 203 CE2 TYR A 12 -8.787 0.840 0.664 1.00 0.00 C ATOM 204 CZ TYR A 12 -9.277 1.938 1.344 1.00 0.00 C ATOM 205 OH TYR A 12 -9.917 2.947 0.658 1.00 0.00 O ATOM 0 H TYR A 12 -5.519 -2.319 2.189 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.667 0.135 3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.452 -2.143 2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.821 -1.321 4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.352 1.105 4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.781 -1.015 0.823 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -9.486 2.880 3.249 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.899 0.769 -0.408 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.945 2.727 -0.297 1.00 0.00 H new ATOM 215 N PHE A 13 -5.427 -0.700 6.119 1.00 0.00 N ATOM 216 CA PHE A 13 -5.071 -1.192 7.450 1.00 0.00 C ATOM 217 C PHE A 13 -6.107 -0.764 8.460 1.00 0.00 C ATOM 218 O PHE A 13 -6.262 0.427 8.739 1.00 0.00 O ATOM 219 CB PHE A 13 -3.713 -0.684 7.902 1.00 0.00 C ATOM 220 CG PHE A 13 -3.133 -1.523 9.004 1.00 0.00 C ATOM 221 CD1 PHE A 13 -2.364 -2.622 8.695 1.00 0.00 C ATOM 222 CD2 PHE A 13 -3.348 -1.215 10.344 1.00 0.00 C ATOM 223 CE1 PHE A 13 -1.808 -3.396 9.683 1.00 0.00 C ATOM 224 CE2 PHE A 13 -2.798 -1.981 11.341 1.00 0.00 C ATOM 225 CZ PHE A 13 -2.017 -3.075 11.014 1.00 0.00 C ATOM 0 H PHE A 13 -5.667 0.290 6.077 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.030 -2.279 7.385 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.028 -0.677 7.054 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.808 0.347 8.243 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.196 -2.879 7.660 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.956 -0.361 10.603 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.208 -4.255 9.422 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.974 -1.731 12.377 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.572 -3.676 11.793 1.00 0.00 H new ATOM 235 N ASN A 14 -6.792 -1.738 9.030 1.00 0.00 N ATOM 236 CA ASN A 14 -7.782 -1.457 10.029 1.00 0.00 C ATOM 237 C ASN A 14 -7.151 -1.637 11.379 1.00 0.00 C ATOM 238 O ASN A 14 -7.229 -2.714 11.943 1.00 0.00 O ATOM 239 CB ASN A 14 -9.018 -2.356 9.934 1.00 0.00 C ATOM 240 CG ASN A 14 -8.731 -3.788 9.582 1.00 0.00 C ATOM 241 OD1 ASN A 14 -7.612 -4.139 9.267 1.00 0.00 O ATOM 242 ND2 ASN A 14 -9.766 -4.621 9.617 1.00 0.00 N ATOM 0 H ASN A 14 -6.674 -2.727 8.812 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.126 -0.435 9.870 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.543 -2.330 10.889 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.695 -1.942 9.187 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.639 -5.603 9.373 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.688 -4.278 9.888 1.00 0.00 H new ATOM 249 N ARG A 15 -6.494 -0.601 11.875 1.00 0.00 N ATOM 250 CA ARG A 15 -5.808 -0.681 13.151 1.00 0.00 C ATOM 251 C ARG A 15 -6.692 -1.254 14.275 1.00 0.00 C ATOM 252 O ARG A 15 -6.160 -1.662 15.310 1.00 0.00 O ATOM 253 CB ARG A 15 -5.182 0.667 13.511 1.00 0.00 C ATOM 254 CG ARG A 15 -4.961 0.876 14.996 1.00 0.00 C ATOM 255 CD ARG A 15 -3.864 1.899 15.261 1.00 0.00 C ATOM 256 NE ARG A 15 -2.530 1.343 15.030 1.00 0.00 N ATOM 257 CZ ARG A 15 -1.858 0.604 15.919 1.00 0.00 C ATOM 258 NH1 ARG A 15 -2.389 0.324 17.108 1.00 0.00 N ATOM 259 NH2 ARG A 15 -0.650 0.141 15.616 1.00 0.00 N ATOM 0 H ARG A 15 -6.422 0.305 11.412 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.996 -1.400 13.042 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.225 0.759 12.997 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.824 1.464 13.135 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.890 1.209 15.459 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.695 -0.073 15.462 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.013 2.765 14.616 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.937 2.251 16.290 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.084 1.532 14.132 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.317 0.674 17.348 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.868 -0.241 17.779 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.237 0.350 14.707 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.135 -0.423 16.293 1.00 0.00 H new ATOM 273 N ILE A 16 -8.021 -1.375 14.068 1.00 0.00 N ATOM 274 CA ILE A 16 -8.859 -1.974 15.040 1.00 0.00 C ATOM 275 C ILE A 16 -8.506 -3.433 15.138 1.00 0.00 C ATOM 276 O ILE A 16 -8.184 -3.965 16.202 1.00 0.00 O ATOM 277 CB ILE A 16 -10.291 -1.862 14.622 1.00 0.00 C ATOM 278 CG1 ILE A 16 -10.795 -0.437 14.800 1.00 0.00 C ATOM 279 CG2 ILE A 16 -11.052 -2.843 15.449 1.00 0.00 C ATOM 280 CD1 ILE A 16 -9.805 0.577 15.347 1.00 0.00 C ATOM 0 H ILE A 16 -8.503 -1.056 13.228 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.720 -1.472 15.998 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.420 -2.089 13.564 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.149 -0.079 13.833 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.658 -0.463 15.466 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.108 -2.802 15.182 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.670 -3.847 15.265 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.934 -2.598 16.505 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.288 1.551 15.426 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.466 0.259 16.333 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.950 0.649 14.675 1.00 0.00 H new ATOM 292 N THR A 17 -8.538 -4.045 13.970 1.00 0.00 N ATOM 293 CA THR A 17 -8.197 -5.423 13.802 1.00 0.00 C ATOM 294 C THR A 17 -6.814 -5.508 13.213 1.00 0.00 C ATOM 295 O THR A 17 -6.413 -6.541 12.675 1.00 0.00 O ATOM 296 CB THR A 17 -9.255 -6.087 12.943 1.00 0.00 C ATOM 297 OG1 THR A 17 -8.946 -5.997 11.567 1.00 0.00 O ATOM 298 CG2 THR A 17 -10.602 -5.462 13.212 1.00 0.00 C ATOM 0 H THR A 17 -8.808 -3.580 13.103 1.00 0.00 H new ATOM 0 HA THR A 17 -8.177 -5.955 14.753 1.00 0.00 H new ATOM 0 HB THR A 17 -9.283 -7.144 13.207 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.492 -6.639 11.066 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.357 -5.944 12.591 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.860 -5.591 14.263 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.563 -4.399 12.976 1.00 0.00 H new ATOM 306 N GLY A 18 -6.127 -4.352 13.294 1.00 0.00 N ATOM 307 CA GLY A 18 -4.812 -4.163 12.717 1.00 0.00 C ATOM 308 C GLY A 18 -4.612 -5.019 11.493 1.00 0.00 C ATOM 309 O GLY A 18 -3.508 -5.496 11.226 1.00 0.00 O ATOM 0 H GLY A 18 -6.486 -3.524 13.770 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.678 -3.114 12.453 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.051 -4.405 13.459 1.00 0.00 H new ATOM 313 N LYS A 19 -5.711 -5.248 10.767 1.00 0.00 N ATOM 314 CA LYS A 19 -5.675 -6.080 9.594 1.00 0.00 C ATOM 315 C LYS A 19 -5.251 -5.333 8.359 1.00 0.00 C ATOM 316 O LYS A 19 -5.344 -4.110 8.282 1.00 0.00 O ATOM 317 CB LYS A 19 -7.029 -6.686 9.363 1.00 0.00 C ATOM 318 CG LYS A 19 -7.167 -8.020 10.004 1.00 0.00 C ATOM 319 CD LYS A 19 -8.348 -8.801 9.452 1.00 0.00 C ATOM 320 CE LYS A 19 -7.974 -10.249 9.170 1.00 0.00 C ATOM 321 NZ LYS A 19 -7.594 -10.466 7.744 1.00 0.00 N ATOM 0 H LYS A 19 -6.630 -4.862 10.984 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.931 -6.855 9.778 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.796 -6.017 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.204 -6.780 8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.252 -8.592 9.851 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.288 -7.894 11.080 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.172 -8.769 10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.701 -8.330 8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.144 -10.540 9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.815 -10.895 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.347 -11.466 7.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.394 -10.214 7.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.775 -9.870 7.508 1.00 0.00 H new ATOM 335 N ARG A 20 -4.797 -6.091 7.385 1.00 0.00 N ATOM 336 CA ARG A 20 -4.379 -5.514 6.132 1.00 0.00 C ATOM 337 C ARG A 20 -4.967 -6.229 4.945 1.00 0.00 C ATOM 338 O ARG A 20 -5.045 -7.459 4.901 1.00 0.00 O ATOM 339 CB ARG A 20 -2.875 -5.494 6.006 1.00 0.00 C ATOM 340 CG ARG A 20 -2.247 -6.859 5.755 1.00 0.00 C ATOM 341 CD ARG A 20 -0.785 -6.734 5.351 1.00 0.00 C ATOM 342 NE ARG A 20 -0.405 -7.721 4.339 1.00 0.00 N ATOM 343 CZ ARG A 20 0.776 -7.734 3.715 1.00 0.00 C ATOM 344 NH1 ARG A 20 1.699 -6.817 3.994 1.00 0.00 N ATOM 345 NH2 ARG A 20 1.035 -8.670 2.808 1.00 0.00 N ATOM 0 H ARG A 20 -4.709 -7.106 7.439 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.754 -4.491 6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.600 -4.825 5.190 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.451 -5.075 6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.326 -7.468 6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.799 -7.376 4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.601 -5.731 4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.155 -6.858 6.232 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.083 -8.443 4.095 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.508 -6.096 4.690 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.598 -6.835 3.512 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.333 -9.377 2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.936 -8.682 2.330 1.00 0.00 H new ATOM 359 N GLN A 21 -5.371 -5.431 3.981 1.00 0.00 N ATOM 360 CA GLN A 21 -5.950 -5.934 2.763 1.00 0.00 C ATOM 361 C GLN A 21 -5.734 -4.929 1.656 1.00 0.00 C ATOM 362 O GLN A 21 -5.835 -3.734 1.895 1.00 0.00 O ATOM 363 CB GLN A 21 -7.432 -6.157 2.935 1.00 0.00 C ATOM 364 CG GLN A 21 -7.953 -5.727 4.275 1.00 0.00 C ATOM 365 CD GLN A 21 -9.348 -6.209 4.554 1.00 0.00 C ATOM 366 OE1 GLN A 21 -9.561 -7.071 5.407 1.00 0.00 O ATOM 367 NE2 GLN A 21 -10.309 -5.661 3.845 1.00 0.00 N ATOM 0 H GLN A 21 -5.305 -4.414 4.023 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.472 -6.882 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.966 -5.613 2.156 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.651 -7.215 2.792 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.286 -6.099 5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.934 -4.639 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.087 -4.950 3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.277 -5.947 3.991 1.00 0.00 H new ATOM 376 N PHE A 22 -5.495 -5.384 0.441 1.00 0.00 N ATOM 377 CA PHE A 22 -5.330 -4.455 -0.678 1.00 0.00 C ATOM 378 C PHE A 22 -6.716 -4.009 -1.173 1.00 0.00 C ATOM 379 O PHE A 22 -6.979 -3.946 -2.376 1.00 0.00 O ATOM 380 CB PHE A 22 -4.570 -5.131 -1.811 1.00 0.00 C ATOM 381 CG PHE A 22 -3.113 -5.348 -1.511 1.00 0.00 C ATOM 382 CD1 PHE A 22 -2.239 -4.277 -1.432 1.00 0.00 C ATOM 383 CD2 PHE A 22 -2.615 -6.623 -1.303 1.00 0.00 C ATOM 384 CE1 PHE A 22 -0.909 -4.473 -1.152 1.00 0.00 C ATOM 385 CE2 PHE A 22 -1.285 -6.822 -1.025 1.00 0.00 C ATOM 386 CZ PHE A 22 -0.436 -5.746 -0.949 1.00 0.00 C ATOM 0 H PHE A 22 -5.411 -6.371 0.198 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.763 -3.586 -0.346 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.035 -6.093 -2.027 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.661 -4.524 -2.712 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.608 -3.275 -1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.281 -7.472 -1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.238 -3.629 -1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.908 -7.822 -0.867 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.610 -5.902 -0.728 1.00 0.00 H new ATOM 396 N GLU A 23 -7.609 -3.773 -0.214 1.00 0.00 N ATOM 397 CA GLU A 23 -8.989 -3.418 -0.472 1.00 0.00 C ATOM 398 C GLU A 23 -9.562 -2.488 0.541 1.00 0.00 C ATOM 399 O GLU A 23 -9.193 -2.525 1.707 1.00 0.00 O ATOM 400 CB GLU A 23 -9.823 -4.688 -0.363 1.00 0.00 C ATOM 401 CG GLU A 23 -11.040 -4.554 0.558 1.00 0.00 C ATOM 402 CD GLU A 23 -11.880 -5.818 0.623 1.00 0.00 C ATOM 403 OE1 GLU A 23 -12.346 -6.278 -0.441 1.00 0.00 O ATOM 404 OE2 GLU A 23 -12.077 -6.345 1.737 1.00 0.00 O ATOM 0 H GLU A 23 -7.383 -3.826 0.779 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.011 -2.939 -1.451 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.163 -4.975 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.190 -5.496 0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.702 -4.298 1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.662 -3.729 0.211 1.00 0.00 H new ATOM 411 N ARG A 24 -10.593 -1.792 0.089 1.00 0.00 N ATOM 412 CA ARG A 24 -11.401 -0.983 0.940 1.00 0.00 C ATOM 413 C ARG A 24 -12.557 -1.909 1.319 1.00 0.00 C ATOM 414 O ARG A 24 -13.430 -2.228 0.509 1.00 0.00 O ATOM 415 CB ARG A 24 -11.825 0.278 0.237 1.00 0.00 C ATOM 416 CG ARG A 24 -12.643 1.168 1.112 1.00 0.00 C ATOM 417 CD ARG A 24 -13.299 2.262 0.303 1.00 0.00 C ATOM 418 NE ARG A 24 -14.479 2.799 0.961 1.00 0.00 N ATOM 419 CZ ARG A 24 -15.691 2.233 0.912 1.00 0.00 C ATOM 420 NH1 ARG A 24 -15.880 1.099 0.239 1.00 0.00 N ATOM 421 NH2 ARG A 24 -16.716 2.800 1.539 1.00 0.00 N ATOM 0 H ARG A 24 -10.882 -1.783 -0.889 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.888 -0.618 1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.940 0.818 -0.101 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.399 0.020 -0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.406 0.581 1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.010 1.609 1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.582 3.066 0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.577 1.871 -0.676 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.377 3.662 1.494 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.098 0.656 -0.244 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.807 0.674 0.206 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.580 3.667 2.058 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.639 2.368 1.501 1.00 0.00 H new ATOM 435 N PRO A 25 -12.476 -2.416 2.547 1.00 0.00 N ATOM 436 CA PRO A 25 -13.391 -3.410 3.113 1.00 0.00 C ATOM 437 C PRO A 25 -14.858 -3.101 2.937 1.00 0.00 C ATOM 438 O PRO A 25 -15.304 -1.951 2.971 1.00 0.00 O ATOM 439 CB PRO A 25 -12.986 -3.526 4.555 1.00 0.00 C ATOM 440 CG PRO A 25 -11.617 -2.950 4.628 1.00 0.00 C ATOM 441 CD PRO A 25 -11.411 -2.064 3.460 1.00 0.00 C ATOM 0 HA PRO A 25 -13.300 -4.355 2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.676 -2.983 5.202 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.993 -4.566 4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.492 -2.389 5.554 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.872 -3.746 4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.463 -1.013 3.745 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.432 -2.224 3.008 1.00 0.00 H new ATOM 449 N SER A 26 -15.579 -4.188 2.735 1.00 0.00 N ATOM 450 CA SER A 26 -17.007 -4.202 2.521 1.00 0.00 C ATOM 451 C SER A 26 -17.744 -3.505 3.599 1.00 0.00 C ATOM 452 O SER A 26 -18.765 -2.855 3.365 1.00 0.00 O ATOM 453 CB SER A 26 -17.465 -5.620 2.478 1.00 0.00 C ATOM 454 OG SER A 26 -16.808 -6.356 1.459 1.00 0.00 O ATOM 0 H SER A 26 -15.166 -5.120 2.715 1.00 0.00 H new ATOM 0 HA SER A 26 -17.210 -3.682 1.585 1.00 0.00 H new ATOM 0 HB2 SER A 26 -17.280 -6.091 3.443 1.00 0.00 H new ATOM 0 HB3 SER A 26 -18.542 -5.649 2.311 1.00 0.00 H new ATOM 0 HG SER A 26 -17.132 -7.281 1.462 1.00 0.00 H new ATOM 460 N ASP A 27 -17.193 -3.644 4.769 1.00 0.00 N ATOM 461 CA ASP A 27 -17.730 -3.022 5.949 1.00 0.00 C ATOM 462 C ASP A 27 -18.971 -3.747 6.486 1.00 0.00 C ATOM 463 O ASP A 27 -19.094 -3.860 7.724 1.00 0.00 O ATOM 464 CB ASP A 27 -18.011 -1.586 5.586 1.00 0.00 C ATOM 465 CG ASP A 27 -19.422 -1.116 5.905 1.00 0.00 C ATOM 466 OD1 ASP A 27 -19.674 -0.747 7.071 1.00 0.00 O ATOM 467 OD2 ASP A 27 -20.271 -1.116 4.990 1.00 0.00 O ATOM 468 OXT ASP A 27 -19.808 -4.192 5.670 1.00 0.00 O ATOM 0 H ASP A 27 -16.352 -4.196 4.935 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.014 -3.077 6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -17.302 -0.947 6.112 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.830 -1.453 4.519 1.00 0.00 H new ATOM 474 N LYS B 1 -16.097 6.352 3.803 1.00 0.00 N ATOM 475 CA LYS B 1 -15.101 5.293 3.467 1.00 0.00 C ATOM 476 C LYS B 1 -15.225 4.095 4.411 1.00 0.00 C ATOM 477 O LYS B 1 -15.994 4.129 5.373 1.00 0.00 O ATOM 478 CB LYS B 1 -13.676 5.884 3.571 1.00 0.00 C ATOM 479 CG LYS B 1 -13.197 6.714 2.374 1.00 0.00 C ATOM 480 CD LYS B 1 -14.119 7.888 2.071 1.00 0.00 C ATOM 481 CE LYS B 1 -13.334 9.128 1.690 1.00 0.00 C ATOM 482 NZ LYS B 1 -12.591 8.957 0.408 1.00 0.00 N ATOM 0 H1 LYS B 1 -16.396 6.836 2.933 1.00 0.00 H new ATOM 0 H2 LYS B 1 -16.925 5.918 4.259 1.00 0.00 H new ATOM 0 H3 LYS B 1 -15.666 7.041 4.452 1.00 0.00 H new ATOM 0 HA LYS B 1 -15.294 4.948 2.451 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -13.629 6.510 4.462 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -12.975 5.063 3.721 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -12.193 7.087 2.574 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -13.130 6.073 1.495 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -14.795 7.621 1.259 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -14.737 8.101 2.943 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -14.016 9.974 1.602 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -12.629 9.368 2.486 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -12.084 9.836 0.181 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -11.909 8.178 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -13.262 8.738 -0.356 1.00 0.00 H new ATOM 498 N LEU B 2 -14.464 3.036 4.106 1.00 0.00 N ATOM 499 CA LEU B 2 -14.448 1.806 4.880 1.00 0.00 C ATOM 500 C LEU B 2 -14.527 2.004 6.417 1.00 0.00 C ATOM 501 O LEU B 2 -14.327 3.089 6.966 1.00 0.00 O ATOM 502 CB LEU B 2 -13.228 0.970 4.480 1.00 0.00 C ATOM 503 CG LEU B 2 -11.939 1.431 5.078 1.00 0.00 C ATOM 504 CD1 LEU B 2 -10.780 0.769 4.446 1.00 0.00 C ATOM 505 CD2 LEU B 2 -11.801 2.872 4.878 1.00 0.00 C ATOM 0 H LEU B 2 -13.837 3.018 3.302 1.00 0.00 H new ATOM 0 HA LEU B 2 -15.365 1.271 4.634 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -13.401 -0.065 4.774 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -13.135 0.982 3.394 1.00 0.00 H new ATOM 0 HG LEU B 2 -11.957 1.179 6.138 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -9.860 1.129 4.906 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -10.857 -0.309 4.584 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -10.766 0.998 3.380 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -10.861 3.211 5.313 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -11.807 3.093 3.811 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -12.631 3.387 5.360 1.00 0.00 H new ATOM 517 N PRO B 3 -14.842 0.885 7.078 1.00 0.00 N ATOM 518 CA PRO B 3 -15.016 0.718 8.534 1.00 0.00 C ATOM 519 C PRO B 3 -13.950 1.340 9.403 1.00 0.00 C ATOM 520 O PRO B 3 -12.858 1.674 8.955 1.00 0.00 O ATOM 521 CB PRO B 3 -14.976 -0.783 8.725 1.00 0.00 C ATOM 522 CG PRO B 3 -15.419 -1.340 7.424 1.00 0.00 C ATOM 523 CD PRO B 3 -15.047 -0.349 6.371 1.00 0.00 C ATOM 0 HA PRO B 3 -15.933 1.221 8.841 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -13.972 -1.123 8.980 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -15.634 -1.097 9.535 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -14.941 -2.301 7.234 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -16.495 -1.514 7.426 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -14.145 -0.655 5.842 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -15.836 -0.250 5.625 1.00 0.00 H new ATOM 531 N PRO B 4 -14.283 1.472 10.689 1.00 0.00 N ATOM 532 CA PRO B 4 -13.412 2.016 11.715 1.00 0.00 C ATOM 533 C PRO B 4 -12.086 1.341 11.793 1.00 0.00 C ATOM 534 O PRO B 4 -11.930 0.165 11.452 1.00 0.00 O ATOM 535 CB PRO B 4 -14.208 1.788 12.952 1.00 0.00 C ATOM 536 CG PRO B 4 -15.567 1.922 12.468 1.00 0.00 C ATOM 537 CD PRO B 4 -15.562 1.089 11.285 1.00 0.00 C ATOM 0 HA PRO B 4 -13.152 3.058 11.527 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -14.023 0.803 13.380 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.977 2.520 13.726 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -16.295 1.579 13.203 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -15.814 2.958 12.234 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -15.604 0.027 11.527 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -16.405 1.300 10.627 1.00 0.00 H new ATOM 545 N GLY B 5 -11.126 2.118 12.229 1.00 0.00 N ATOM 546 CA GLY B 5 -9.787 1.634 12.341 1.00 0.00 C ATOM 547 C GLY B 5 -9.083 1.514 10.995 1.00 0.00 C ATOM 548 O GLY B 5 -7.854 1.563 10.938 1.00 0.00 O ATOM 0 H GLY B 5 -11.255 3.090 12.511 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -9.217 2.304 12.985 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -9.799 0.658 12.827 1.00 0.00 H new ATOM 552 N TRP B 6 -9.855 1.361 9.904 1.00 0.00 N ATOM 553 CA TRP B 6 -9.289 1.237 8.579 1.00 0.00 C ATOM 554 C TRP B 6 -8.734 2.558 8.100 1.00 0.00 C ATOM 555 O TRP B 6 -9.250 3.628 8.432 1.00 0.00 O ATOM 556 CB TRP B 6 -10.346 0.816 7.563 1.00 0.00 C ATOM 557 CG TRP B 6 -10.613 -0.629 7.439 1.00 0.00 C ATOM 558 CD1 TRP B 6 -11.808 -1.192 7.584 1.00 0.00 C ATOM 559 CD2 TRP B 6 -9.728 -1.662 7.070 1.00 0.00 C ATOM 560 NE1 TRP B 6 -11.723 -2.549 7.466 1.00 0.00 N ATOM 561 CE2 TRP B 6 -10.441 -2.867 7.129 1.00 0.00 C ATOM 562 CE3 TRP B 6 -8.404 -1.696 6.735 1.00 0.00 C ATOM 563 CZ2 TRP B 6 -9.839 -4.092 6.853 1.00 0.00 C ATOM 564 CZ3 TRP B 6 -7.812 -2.891 6.453 1.00 0.00 C ATOM 565 CH2 TRP B 6 -8.510 -4.065 6.516 1.00 0.00 C ATOM 0 H TRP B 6 -10.874 1.322 9.930 1.00 0.00 H new ATOM 0 HA TRP B 6 -8.502 0.486 8.652 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -11.281 1.313 7.821 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -10.045 1.191 6.585 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -12.723 -0.649 7.770 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -12.487 -3.211 7.606 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -7.830 -0.782 6.694 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -10.392 -5.018 6.902 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -6.769 -2.911 6.174 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -8.003 -4.993 6.295 1.00 0.00 H new ATOM 576 N GLU B 7 -7.726 2.464 7.265 1.00 0.00 N ATOM 577 CA GLU B 7 -7.130 3.632 6.659 1.00 0.00 C ATOM 578 C GLU B 7 -6.274 3.210 5.496 1.00 0.00 C ATOM 579 O GLU B 7 -5.172 2.683 5.669 1.00 0.00 O ATOM 580 CB GLU B 7 -6.318 4.470 7.640 1.00 0.00 C ATOM 581 CG GLU B 7 -5.584 3.671 8.711 1.00 0.00 C ATOM 582 CD GLU B 7 -4.816 4.556 9.672 1.00 0.00 C ATOM 583 OE1 GLU B 7 -5.420 5.024 10.661 1.00 0.00 O ATOM 584 OE2 GLU B 7 -3.609 4.779 9.439 1.00 0.00 O ATOM 0 H GLU B 7 -7.298 1.581 6.987 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.945 4.270 6.316 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -5.589 5.054 7.079 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -6.986 5.179 8.130 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -6.303 3.072 9.270 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -4.894 2.976 8.232 1.00 0.00 H new ATOM 591 N LYS B 8 -6.812 3.427 4.313 1.00 0.00 N ATOM 592 CA LYS B 8 -6.127 3.058 3.082 1.00 0.00 C ATOM 593 C LYS B 8 -4.669 3.544 3.129 1.00 0.00 C ATOM 594 O LYS B 8 -4.414 4.730 3.347 1.00 0.00 O ATOM 595 CB LYS B 8 -6.820 3.688 1.845 1.00 0.00 C ATOM 596 CG LYS B 8 -6.460 2.993 0.533 1.00 0.00 C ATOM 597 CD LYS B 8 -7.198 3.606 -0.647 1.00 0.00 C ATOM 598 CE LYS B 8 -6.331 4.612 -1.388 1.00 0.00 C ATOM 599 NZ LYS B 8 -6.886 4.946 -2.730 1.00 0.00 N ATOM 0 H LYS B 8 -7.726 3.859 4.174 1.00 0.00 H new ATOM 0 HA LYS B 8 -6.162 1.972 2.994 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -7.900 3.650 1.984 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -6.544 4.740 1.779 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -5.385 3.063 0.367 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -6.703 1.933 0.604 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -7.508 2.817 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -8.105 4.097 -0.294 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -6.244 5.522 -0.795 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -5.325 4.209 -1.502 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -6.265 5.634 -3.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -6.945 4.082 -3.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -7.836 5.355 -2.621 1.00 0.00 H new ATOM 613 N ARG B 9 -3.722 2.632 2.920 1.00 0.00 N ATOM 614 CA ARG B 9 -2.297 2.977 2.934 1.00 0.00 C ATOM 615 C ARG B 9 -1.614 2.418 1.691 1.00 0.00 C ATOM 616 O ARG B 9 -2.124 1.481 1.079 1.00 0.00 O ATOM 617 CB ARG B 9 -1.628 2.427 4.197 1.00 0.00 C ATOM 618 CG ARG B 9 -2.027 3.163 5.469 1.00 0.00 C ATOM 619 CD ARG B 9 -0.841 3.345 6.403 1.00 0.00 C ATOM 620 NE ARG B 9 -0.147 2.127 6.651 1.00 0.00 N ATOM 621 CZ ARG B 9 -0.385 1.341 7.678 1.00 0.00 C ATOM 622 NH1 ARG B 9 -1.442 1.509 8.469 1.00 0.00 N ATOM 623 NH2 ARG B 9 0.459 0.385 7.886 1.00 0.00 N ATOM 0 H ARG B 9 -3.913 1.647 2.738 1.00 0.00 H new ATOM 0 HA ARG B 9 -2.199 4.063 2.934 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.882 1.372 4.303 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -0.546 2.484 4.079 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -2.442 4.138 5.212 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -2.813 2.607 5.981 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -0.151 4.070 5.971 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -1.189 3.760 7.349 1.00 0.00 H new ATOM 0 HE ARG B 9 0.579 1.847 5.992 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -2.100 2.267 8.287 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -1.595 0.879 9.257 1.00 0.00 H new ATOM 0 HH21 ARG B 9 1.262 0.270 7.267 1.00 0.00 H new ATOM 0 HH22 ARG B 9 0.323 -0.254 8.669 1.00 0.00 H new ATOM 637 N CYS B 10 -0.471 2.990 1.299 1.00 0.00 N ATOM 638 CA CYS B 10 0.222 2.503 0.103 1.00 0.00 C ATOM 639 C CYS B 10 1.704 2.853 0.065 1.00 0.00 C ATOM 640 O CYS B 10 2.092 4.014 0.214 1.00 0.00 O ATOM 641 CB CYS B 10 -0.454 3.054 -1.162 1.00 0.00 C ATOM 642 SG CYS B 10 0.350 2.565 -2.721 1.00 0.00 S ATOM 0 H CYS B 10 -0.017 3.768 1.777 1.00 0.00 H new ATOM 0 HA CYS B 10 0.151 1.416 0.141 1.00 0.00 H new ATOM 0 HB2 CYS B 10 -1.490 2.717 -1.181 1.00 0.00 H new ATOM 0 HB3 CYS B 10 -0.474 4.142 -1.104 1.00 0.00 H new ATOM 0 HG CYS B 10 -0.378 1.673 -3.324 1.00 0.00 H new ATOM 647 N PHE B 11 2.516 1.829 -0.202 1.00 0.00 N ATOM 648 CA PHE B 11 3.955 1.987 -0.342 1.00 0.00 C ATOM 649 C PHE B 11 4.414 1.266 -1.608 1.00 0.00 C ATOM 650 O PHE B 11 4.063 0.107 -1.835 1.00 0.00 O ATOM 651 CB PHE B 11 4.729 1.434 0.874 1.00 0.00 C ATOM 652 CG PHE B 11 4.713 -0.064 0.984 1.00 0.00 C ATOM 653 CD1 PHE B 11 5.573 -0.829 0.200 1.00 0.00 C ATOM 654 CD2 PHE B 11 3.854 -0.711 1.867 1.00 0.00 C ATOM 655 CE1 PHE B 11 5.575 -2.215 0.294 1.00 0.00 C ATOM 656 CE2 PHE B 11 3.852 -2.097 1.967 1.00 0.00 C ATOM 657 CZ PHE B 11 4.714 -2.850 1.180 1.00 0.00 C ATOM 0 H PHE B 11 2.190 0.870 -0.326 1.00 0.00 H new ATOM 0 HA PHE B 11 4.168 3.054 -0.405 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.764 1.772 0.816 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.305 1.859 1.784 1.00 0.00 H new ATOM 0 HD1 PHE B 11 6.246 -0.339 -0.489 1.00 0.00 H new ATOM 0 HD2 PHE B 11 3.182 -0.130 2.481 1.00 0.00 H new ATOM 0 HE1 PHE B 11 6.245 -2.798 -0.321 1.00 0.00 H new ATOM 0 HE2 PHE B 11 3.181 -2.588 2.656 1.00 0.00 H new ATOM 0 HZ PHE B 11 4.715 -3.927 1.257 1.00 0.00 H new ATOM 667 N TYR B 12 5.217 1.936 -2.412 1.00 0.00 N ATOM 668 CA TYR B 12 5.754 1.339 -3.620 1.00 0.00 C ATOM 669 C TYR B 12 6.859 0.387 -3.218 1.00 0.00 C ATOM 670 O TYR B 12 7.637 0.706 -2.322 1.00 0.00 O ATOM 671 CB TYR B 12 6.317 2.407 -4.559 1.00 0.00 C ATOM 672 CG TYR B 12 5.305 2.843 -5.594 1.00 0.00 C ATOM 673 CD1 TYR B 12 5.153 2.134 -6.769 1.00 0.00 C ATOM 674 CD2 TYR B 12 4.502 3.970 -5.411 1.00 0.00 C ATOM 675 CE1 TYR B 12 4.268 2.519 -7.736 1.00 0.00 C ATOM 676 CE2 TYR B 12 3.597 4.370 -6.367 1.00 0.00 C ATOM 677 CZ TYR B 12 3.482 3.645 -7.545 1.00 0.00 C ATOM 678 OH TYR B 12 2.583 4.032 -8.510 1.00 0.00 O ATOM 0 H TYR B 12 5.513 2.898 -2.249 1.00 0.00 H new ATOM 0 HA TYR B 12 4.959 0.814 -4.149 1.00 0.00 H new ATOM 0 HB2 TYR B 12 6.634 3.271 -3.976 1.00 0.00 H new ATOM 0 HB3 TYR B 12 7.203 2.018 -5.060 1.00 0.00 H new ATOM 0 HD1 TYR B 12 5.751 1.249 -6.928 1.00 0.00 H new ATOM 0 HD2 TYR B 12 4.593 4.541 -4.499 1.00 0.00 H new ATOM 0 HE1 TYR B 12 4.181 1.947 -8.648 1.00 0.00 H new ATOM 0 HE2 TYR B 12 2.981 5.241 -6.202 1.00 0.00 H new ATOM 0 HH TYR B 12 2.447 3.297 -9.144 1.00 0.00 H new ATOM 688 N PHE B 13 6.952 -0.763 -3.867 1.00 0.00 N ATOM 689 CA PHE B 13 8.017 -1.703 -3.540 1.00 0.00 C ATOM 690 C PHE B 13 8.832 -1.983 -4.769 1.00 0.00 C ATOM 691 O PHE B 13 8.325 -2.507 -5.761 1.00 0.00 O ATOM 692 CB PHE B 13 7.492 -3.009 -2.968 1.00 0.00 C ATOM 693 CG PHE B 13 8.555 -3.774 -2.230 1.00 0.00 C ATOM 694 CD1 PHE B 13 8.878 -3.426 -0.930 1.00 0.00 C ATOM 695 CD2 PHE B 13 9.230 -4.843 -2.824 1.00 0.00 C ATOM 696 CE1 PHE B 13 9.839 -4.124 -0.225 1.00 0.00 C ATOM 697 CE2 PHE B 13 10.196 -5.549 -2.130 1.00 0.00 C ATOM 698 CZ PHE B 13 10.500 -5.194 -0.821 1.00 0.00 C ATOM 0 H PHE B 13 6.319 -1.065 -4.608 1.00 0.00 H new ATOM 0 HA PHE B 13 8.633 -1.239 -2.770 1.00 0.00 H new ATOM 0 HB2 PHE B 13 6.662 -2.800 -2.293 1.00 0.00 H new ATOM 0 HB3 PHE B 13 7.098 -3.625 -3.776 1.00 0.00 H new ATOM 0 HD1 PHE B 13 8.371 -2.596 -0.460 1.00 0.00 H new ATOM 0 HD2 PHE B 13 8.994 -5.122 -3.840 1.00 0.00 H new ATOM 0 HE1 PHE B 13 10.078 -3.839 0.789 1.00 0.00 H new ATOM 0 HE2 PHE B 13 10.711 -6.372 -2.603 1.00 0.00 H new ATOM 0 HZ PHE B 13 11.246 -5.746 -0.269 1.00 0.00 H new ATOM 708 N ASN B 14 10.100 -1.635 -4.692 1.00 0.00 N ATOM 709 CA ASN B 14 10.991 -1.846 -5.796 1.00 0.00 C ATOM 710 C ASN B 14 11.681 -3.175 -5.597 1.00 0.00 C ATOM 711 O ASN B 14 12.847 -3.215 -5.246 1.00 0.00 O ATOM 712 CB ASN B 14 12.011 -0.707 -5.917 1.00 0.00 C ATOM 713 CG ASN B 14 12.656 -0.636 -7.290 1.00 0.00 C ATOM 714 OD1 ASN B 14 12.369 -1.450 -8.166 1.00 0.00 O ATOM 715 ND2 ASN B 14 13.541 0.337 -7.482 1.00 0.00 N ATOM 0 H ASN B 14 10.530 -1.205 -3.873 1.00 0.00 H new ATOM 0 HA ASN B 14 10.424 -1.857 -6.727 1.00 0.00 H new ATOM 0 HB2 ASN B 14 11.517 0.241 -5.704 1.00 0.00 H new ATOM 0 HB3 ASN B 14 12.787 -0.839 -5.163 1.00 0.00 H new ATOM 0 HD21 ASN B 14 14.011 0.429 -8.383 1.00 0.00 H new ATOM 0 HD22 ASN B 14 13.751 0.992 -6.729 1.00 0.00 H new ATOM 722 N ARG B 15 10.918 -4.256 -5.763 1.00 0.00 N ATOM 723 CA ARG B 15 11.419 -5.617 -5.542 1.00 0.00 C ATOM 724 C ARG B 15 12.848 -5.841 -6.053 1.00 0.00 C ATOM 725 O ARG B 15 13.541 -6.713 -5.521 1.00 0.00 O ATOM 726 CB ARG B 15 10.446 -6.677 -6.085 1.00 0.00 C ATOM 727 CG ARG B 15 11.102 -7.761 -6.925 1.00 0.00 C ATOM 728 CD ARG B 15 10.070 -8.719 -7.508 1.00 0.00 C ATOM 729 NE ARG B 15 9.200 -8.059 -8.483 1.00 0.00 N ATOM 730 CZ ARG B 15 9.571 -7.745 -9.728 1.00 0.00 C ATOM 731 NH1 ARG B 15 10.795 -8.034 -10.164 1.00 0.00 N ATOM 732 NH2 ARG B 15 8.712 -7.140 -10.541 1.00 0.00 N ATOM 0 H ARG B 15 9.941 -4.216 -6.053 1.00 0.00 H new ATOM 0 HA ARG B 15 11.474 -5.737 -4.460 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.933 -7.146 -5.245 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.685 -6.180 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG B 15 11.671 -7.302 -7.733 1.00 0.00 H new ATOM 0 HG3 ARG B 15 11.811 -8.318 -6.313 1.00 0.00 H new ATOM 0 HD2 ARG B 15 10.580 -9.556 -7.985 1.00 0.00 H new ATOM 0 HD3 ARG B 15 9.464 -9.133 -6.702 1.00 0.00 H new ATOM 0 HE ARG B 15 8.251 -7.824 -8.194 1.00 0.00 H new ATOM 0 HH11 ARG B 15 11.460 -8.499 -9.546 1.00 0.00 H new ATOM 0 HH12 ARG B 15 11.068 -7.790 -11.116 1.00 0.00 H new ATOM 0 HH21 ARG B 15 7.772 -6.916 -10.215 1.00 0.00 H new ATOM 0 HH22 ARG B 15 8.993 -6.899 -11.492 1.00 0.00 H new ATOM 746 N ILE B 16 13.337 -5.046 -7.021 1.00 0.00 N ATOM 747 CA ILE B 16 14.674 -5.186 -7.462 1.00 0.00 C ATOM 748 C ILE B 16 15.594 -4.850 -6.321 1.00 0.00 C ATOM 749 O ILE B 16 16.509 -5.594 -5.963 1.00 0.00 O ATOM 750 CB ILE B 16 14.948 -4.225 -8.576 1.00 0.00 C ATOM 751 CG1 ILE B 16 14.294 -4.688 -9.870 1.00 0.00 C ATOM 752 CG2 ILE B 16 16.432 -4.123 -8.697 1.00 0.00 C ATOM 753 CD1 ILE B 16 13.448 -5.948 -9.799 1.00 0.00 C ATOM 0 H ILE B 16 12.805 -4.314 -7.490 1.00 0.00 H new ATOM 0 HA ILE B 16 14.833 -6.208 -7.807 1.00 0.00 H new ATOM 0 HB ILE B 16 14.522 -3.244 -8.367 1.00 0.00 H new ATOM 0 HG12 ILE B 16 13.666 -3.878 -10.242 1.00 0.00 H new ATOM 0 HG13 ILE B 16 15.079 -4.848 -10.609 1.00 0.00 H new ATOM 0 HG21 ILE B 16 16.685 -3.431 -9.500 1.00 0.00 H new ATOM 0 HG22 ILE B 16 16.849 -3.758 -7.758 1.00 0.00 H new ATOM 0 HG23 ILE B 16 16.847 -5.106 -8.921 1.00 0.00 H new ATOM 0 HD11 ILE B 16 13.040 -6.169 -10.786 1.00 0.00 H new ATOM 0 HD12 ILE B 16 14.065 -6.783 -9.467 1.00 0.00 H new ATOM 0 HD13 ILE B 16 12.631 -5.798 -9.094 1.00 0.00 H new ATOM 765 N THR B 17 15.296 -3.698 -5.762 1.00 0.00 N ATOM 766 CA THR B 17 16.007 -3.154 -4.652 1.00 0.00 C ATOM 767 C THR B 17 15.220 -3.368 -3.384 1.00 0.00 C ATOM 768 O THR B 17 15.453 -2.705 -2.371 1.00 0.00 O ATOM 769 CB THR B 17 16.262 -1.696 -4.959 1.00 0.00 C ATOM 770 OG1 THR B 17 15.093 -0.919 -4.776 1.00 0.00 O ATOM 771 CG2 THR B 17 16.729 -1.571 -6.383 1.00 0.00 C ATOM 0 H THR B 17 14.530 -3.106 -6.084 1.00 0.00 H new ATOM 0 HA THR B 17 16.965 -3.650 -4.494 1.00 0.00 H new ATOM 0 HB THR B 17 17.024 -1.325 -4.274 1.00 0.00 H new ATOM 0 HG1 THR B 17 15.109 -0.154 -5.389 1.00 0.00 H new ATOM 0 HG21 THR B 17 16.916 -0.522 -6.614 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.649 -2.141 -6.516 1.00 0.00 H new ATOM 0 HG23 THR B 17 15.962 -1.959 -7.053 1.00 0.00 H new ATOM 779 N GLY B 18 14.228 -4.271 -3.509 1.00 0.00 N ATOM 780 CA GLY B 18 13.274 -4.558 -2.447 1.00 0.00 C ATOM 781 C GLY B 18 12.942 -3.315 -1.646 1.00 0.00 C ATOM 782 O GLY B 18 12.604 -3.377 -0.464 1.00 0.00 O ATOM 0 H GLY B 18 14.075 -4.818 -4.356 1.00 0.00 H new ATOM 0 HA2 GLY B 18 12.361 -4.969 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY B 18 13.684 -5.320 -1.784 1.00 0.00 H new ATOM 786 N LYS B 19 13.083 -2.179 -2.321 1.00 0.00 N ATOM 787 CA LYS B 19 12.845 -0.873 -1.752 1.00 0.00 C ATOM 788 C LYS B 19 11.390 -0.610 -1.465 1.00 0.00 C ATOM 789 O LYS B 19 10.505 -1.218 -2.055 1.00 0.00 O ATOM 790 CB LYS B 19 13.309 0.184 -2.718 1.00 0.00 C ATOM 791 CG LYS B 19 14.688 0.691 -2.435 1.00 0.00 C ATOM 792 CD LYS B 19 15.089 1.801 -3.396 1.00 0.00 C ATOM 793 CE LYS B 19 14.907 3.176 -2.771 1.00 0.00 C ATOM 794 NZ LYS B 19 16.161 3.674 -2.141 1.00 0.00 N ATOM 0 H LYS B 19 13.372 -2.148 -3.299 1.00 0.00 H new ATOM 0 HA LYS B 19 13.394 -0.842 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS B 19 13.281 -0.222 -3.729 1.00 0.00 H new ATOM 0 HB3 LYS B 19 12.611 1.021 -2.691 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.736 1.061 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS B 19 15.400 -0.131 -2.511 1.00 0.00 H new ATOM 0 HD2 LYS B 19 16.130 1.670 -3.690 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.490 1.731 -4.304 1.00 0.00 H new ATOM 0 HE2 LYS B 19 14.581 3.881 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS B 19 14.118 3.131 -2.021 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 15.993 4.613 -1.728 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 16.459 3.015 -1.394 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 16.908 3.742 -2.861 1.00 0.00 H new ATOM 808 N ARG B 20 11.165 0.348 -0.586 1.00 0.00 N ATOM 809 CA ARG B 20 9.829 0.768 -0.245 1.00 0.00 C ATOM 810 C ARG B 20 9.749 2.252 -0.020 1.00 0.00 C ATOM 811 O ARG B 20 10.591 2.853 0.652 1.00 0.00 O ATOM 812 CB ARG B 20 9.304 0.060 0.973 1.00 0.00 C ATOM 813 CG ARG B 20 9.941 0.510 2.283 1.00 0.00 C ATOM 814 CD ARG B 20 9.783 -0.541 3.373 1.00 0.00 C ATOM 815 NE ARG B 20 11.046 -0.818 4.060 1.00 0.00 N ATOM 816 CZ ARG B 20 11.141 -1.495 5.208 1.00 0.00 C ATOM 817 NH1 ARG B 20 10.051 -1.970 5.806 1.00 0.00 N ATOM 818 NH2 ARG B 20 12.333 -1.697 5.761 1.00 0.00 N ATOM 0 H ARG B 20 11.902 0.852 -0.093 1.00 0.00 H new ATOM 0 HA ARG B 20 9.208 0.502 -1.101 1.00 0.00 H new ATOM 0 HB2 ARG B 20 8.227 0.216 1.034 1.00 0.00 H new ATOM 0 HB3 ARG B 20 9.465 -1.011 0.854 1.00 0.00 H new ATOM 0 HG2 ARG B 20 11.000 0.712 2.123 1.00 0.00 H new ATOM 0 HG3 ARG B 20 9.484 1.444 2.609 1.00 0.00 H new ATOM 0 HD2 ARG B 20 9.043 -0.202 4.098 1.00 0.00 H new ATOM 0 HD3 ARG B 20 9.400 -1.462 2.934 1.00 0.00 H new ATOM 0 HE ARG B 20 11.907 -0.473 3.636 1.00 0.00 H new ATOM 0 HH11 ARG B 20 9.133 -1.818 5.388 1.00 0.00 H new ATOM 0 HH12 ARG B 20 10.134 -2.486 6.682 1.00 0.00 H new ATOM 0 HH21 ARG B 20 13.173 -1.335 5.309 1.00 0.00 H new ATOM 0 HH22 ARG B 20 12.408 -2.214 6.637 1.00 0.00 H new ATOM 832 N GLN B 21 8.718 2.829 -0.591 1.00 0.00 N ATOM 833 CA GLN B 21 8.477 4.241 -0.478 1.00 0.00 C ATOM 834 C GLN B 21 7.009 4.513 -0.703 1.00 0.00 C ATOM 835 O GLN B 21 6.401 3.879 -1.553 1.00 0.00 O ATOM 836 CB GLN B 21 9.278 4.996 -1.512 1.00 0.00 C ATOM 837 CG GLN B 21 10.064 4.110 -2.438 1.00 0.00 C ATOM 838 CD GLN B 21 11.063 4.861 -3.271 1.00 0.00 C ATOM 839 OE1 GLN B 21 12.272 4.708 -3.099 1.00 0.00 O ATOM 840 NE2 GLN B 21 10.574 5.677 -4.176 1.00 0.00 N ATOM 0 H GLN B 21 8.024 2.329 -1.147 1.00 0.00 H new ATOM 0 HA GLN B 21 8.776 4.571 0.517 1.00 0.00 H new ATOM 0 HB2 GLN B 21 8.601 5.613 -2.103 1.00 0.00 H new ATOM 0 HB3 GLN B 21 9.964 5.673 -1.003 1.00 0.00 H new ATOM 0 HG2 GLN B 21 10.586 3.354 -1.851 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.375 3.582 -3.097 1.00 0.00 H new ATOM 0 HE21 GLN B 21 9.564 5.773 -4.284 1.00 0.00 H new ATOM 0 HE22 GLN B 21 11.204 6.215 -4.771 1.00 0.00 H new ATOM 849 N PHE B 22 6.438 5.477 -0.006 1.00 0.00 N ATOM 850 CA PHE B 22 5.027 5.811 -0.234 1.00 0.00 C ATOM 851 C PHE B 22 4.920 6.699 -1.487 1.00 0.00 C ATOM 852 O PHE B 22 4.202 7.701 -1.504 1.00 0.00 O ATOM 853 CB PHE B 22 4.437 6.551 0.964 1.00 0.00 C ATOM 854 CG PHE B 22 3.878 5.650 2.031 1.00 0.00 C ATOM 855 CD1 PHE B 22 4.530 4.471 2.383 1.00 0.00 C ATOM 856 CD2 PHE B 22 2.695 5.977 2.691 1.00 0.00 C ATOM 857 CE1 PHE B 22 4.017 3.643 3.364 1.00 0.00 C ATOM 858 CE2 PHE B 22 2.179 5.151 3.671 1.00 0.00 C ATOM 859 CZ PHE B 22 2.842 3.986 4.005 1.00 0.00 C ATOM 0 H PHE B 22 6.907 6.036 0.707 1.00 0.00 H new ATOM 0 HA PHE B 22 4.467 4.886 -0.374 1.00 0.00 H new ATOM 0 HB2 PHE B 22 5.210 7.181 1.404 1.00 0.00 H new ATOM 0 HB3 PHE B 22 3.646 7.215 0.614 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.448 4.200 1.883 1.00 0.00 H new ATOM 0 HD2 PHE B 22 2.175 6.888 2.433 1.00 0.00 H new ATOM 0 HE1 PHE B 22 4.533 2.732 3.628 1.00 0.00 H new ATOM 0 HE2 PHE B 22 1.261 5.415 4.174 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.440 3.340 4.771 1.00 0.00 H new ATOM 869 N GLU B 23 5.712 6.351 -2.501 1.00 0.00 N ATOM 870 CA GLU B 23 5.819 7.109 -3.732 1.00 0.00 C ATOM 871 C GLU B 23 6.063 6.265 -4.937 1.00 0.00 C ATOM 872 O GLU B 23 6.696 5.222 -4.853 1.00 0.00 O ATOM 873 CB GLU B 23 7.048 8.003 -3.619 1.00 0.00 C ATOM 874 CG GLU B 23 8.014 7.877 -4.801 1.00 0.00 C ATOM 875 CD GLU B 23 9.287 8.684 -4.623 1.00 0.00 C ATOM 876 OE1 GLU B 23 9.951 8.530 -3.575 1.00 0.00 O ATOM 877 OE2 GLU B 23 9.623 9.468 -5.536 1.00 0.00 O ATOM 0 H GLU B 23 6.304 5.520 -2.483 1.00 0.00 H new ATOM 0 HA GLU B 23 4.874 7.639 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU B 23 6.725 9.041 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.580 7.759 -2.699 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.273 6.827 -4.939 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.509 8.203 -5.710 1.00 0.00 H new ATOM 884 N ARG B 24 5.701 6.850 -6.069 1.00 0.00 N ATOM 885 CA ARG B 24 6.010 6.303 -7.349 1.00 0.00 C ATOM 886 C ARG B 24 7.295 7.029 -7.749 1.00 0.00 C ATOM 887 O ARG B 24 7.301 8.217 -8.077 1.00 0.00 O ATOM 888 CB ARG B 24 4.865 6.499 -8.308 1.00 0.00 C ATOM 889 CG ARG B 24 5.157 5.918 -9.656 1.00 0.00 C ATOM 890 CD ARG B 24 4.303 6.564 -10.732 1.00 0.00 C ATOM 891 NE ARG B 24 3.233 5.694 -11.214 1.00 0.00 N ATOM 892 CZ ARG B 24 1.998 5.662 -10.705 1.00 0.00 C ATOM 893 NH1 ARG B 24 1.664 6.443 -9.679 1.00 0.00 N ATOM 894 NH2 ARG B 24 1.089 4.845 -11.229 1.00 0.00 N ATOM 0 H ARG B 24 5.180 7.726 -6.108 1.00 0.00 H new ATOM 0 HA ARG B 24 6.159 5.223 -7.348 1.00 0.00 H new ATOM 0 HB2 ARG B 24 3.967 6.035 -7.900 1.00 0.00 H new ATOM 0 HB3 ARG B 24 4.656 7.564 -8.410 1.00 0.00 H new ATOM 0 HG2 ARG B 24 6.212 6.057 -9.894 1.00 0.00 H new ATOM 0 HG3 ARG B 24 4.973 4.844 -9.639 1.00 0.00 H new ATOM 0 HD2 ARG B 24 3.867 7.482 -10.339 1.00 0.00 H new ATOM 0 HD3 ARG B 24 4.939 6.847 -11.571 1.00 0.00 H new ATOM 0 HE ARG B 24 3.443 5.069 -11.992 1.00 0.00 H new ATOM 0 HH11 ARG B 24 2.354 7.075 -9.273 1.00 0.00 H new ATOM 0 HH12 ARG B 24 0.718 6.409 -9.299 1.00 0.00 H new ATOM 0 HH21 ARG B 24 1.336 4.246 -12.017 1.00 0.00 H new ATOM 0 HH22 ARG B 24 0.145 4.818 -10.843 1.00 0.00 H new ATOM 908 N PRO B 25 8.404 6.303 -7.605 1.00 0.00 N ATOM 909 CA PRO B 25 9.771 6.795 -7.809 1.00 0.00 C ATOM 910 C PRO B 25 10.006 7.535 -9.105 1.00 0.00 C ATOM 911 O PRO B 25 9.439 7.230 -10.156 1.00 0.00 O ATOM 912 CB PRO B 25 10.638 5.576 -7.675 1.00 0.00 C ATOM 913 CG PRO B 25 9.798 4.568 -6.974 1.00 0.00 C ATOM 914 CD PRO B 25 8.373 4.926 -7.162 1.00 0.00 C ATOM 0 HA PRO B 25 10.004 7.564 -7.072 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.956 5.211 -8.652 1.00 0.00 H new ATOM 0 HB3 PRO B 25 11.542 5.797 -7.107 1.00 0.00 H new ATOM 0 HG2 PRO B 25 9.993 3.572 -7.371 1.00 0.00 H new ATOM 0 HG3 PRO B 25 10.045 4.543 -5.913 1.00 0.00 H new ATOM 0 HD2 PRO B 25 7.895 4.282 -7.900 1.00 0.00 H new ATOM 0 HD3 PRO B 25 7.811 4.819 -6.234 1.00 0.00 H new ATOM 922 N SER B 26 10.863 8.532 -8.963 1.00 0.00 N ATOM 923 CA SER B 26 11.274 9.428 -10.029 1.00 0.00 C ATOM 924 C SER B 26 11.651 8.700 -11.263 1.00 0.00 C ATOM 925 O SER B 26 11.374 9.139 -12.381 1.00 0.00 O ATOM 926 CB SER B 26 12.455 10.227 -9.567 1.00 0.00 C ATOM 927 OG SER B 26 12.956 11.072 -10.590 1.00 0.00 O ATOM 0 H SER B 26 11.307 8.747 -8.070 1.00 0.00 H new ATOM 0 HA SER B 26 10.426 10.071 -10.263 1.00 0.00 H new ATOM 0 HB2 SER B 26 12.170 10.830 -8.705 1.00 0.00 H new ATOM 0 HB3 SER B 26 13.243 9.551 -9.236 1.00 0.00 H new ATOM 0 HG SER B 26 13.724 11.577 -10.250 1.00 0.00 H new ATOM 933 N ASP B 27 12.272 7.582 -11.025 1.00 0.00 N ATOM 934 CA ASP B 27 12.708 6.706 -12.079 1.00 0.00 C ATOM 935 C ASP B 27 13.967 7.218 -12.790 1.00 0.00 C ATOM 936 O ASP B 27 14.825 6.381 -13.139 1.00 0.00 O ATOM 937 CB ASP B 27 11.540 6.547 -13.018 1.00 0.00 C ATOM 938 CG ASP B 27 11.855 6.840 -14.476 1.00 0.00 C ATOM 939 OD1 ASP B 27 12.370 5.934 -15.165 1.00 0.00 O ATOM 940 OD2 ASP B 27 11.587 7.973 -14.928 1.00 0.00 O ATOM 941 OXT ASP B 27 14.084 8.447 -12.994 1.00 0.00 O ATOM 0 H ASP B 27 12.493 7.247 -10.087 1.00 0.00 H new ATOM 0 HA ASP B 27 13.005 5.740 -11.671 1.00 0.00 H new ATOM 0 HB2 ASP B 27 11.164 5.527 -12.939 1.00 0.00 H new ATOM 0 HB3 ASP B 27 10.737 7.209 -12.693 1.00 0.00 H new