USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 468 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= -0.488 K(o=-1.7,f=-3.1) USER MOD Set 1.2: B 17 THR OG1 : rot -110:sc= -1.26 USER MOD Set 2.1: A 14 ASN : amide:sc= -15.8! C(o=-19!,f=-30!) USER MOD Set 2.2: A 17 THR OG1 : rot 160:sc= -3.32! USER MOD Set 3.1: A 10 CYS SG : rot -29:sc= -9.42! USER MOD Set 3.2: B 10 CYS SG : rot 118:sc= -11.9! USER MOD Single : A 1 LYS N :NH3+ 178:sc= 0 (180deg=-0.0043) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot -165:sc= -0.39 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -5.53! C(o=-5.5!,f=-3.4!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ 148:sc= 0.0413 (180deg=-0.0134) USER MOD Single : B 1 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0327) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot 15:sc= -0.54 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -4.61! C(o=-4.6!,f=-4!) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 6.345 5.800 -16.788 1.00 0.00 N ATOM 2 CA LYS A 1 5.916 4.713 -15.864 1.00 0.00 C ATOM 3 C LYS A 1 6.991 4.402 -14.822 1.00 0.00 C ATOM 4 O LYS A 1 8.130 4.863 -14.933 1.00 0.00 O ATOM 5 CB LYS A 1 5.597 3.458 -16.688 1.00 0.00 C ATOM 6 CG LYS A 1 6.787 2.905 -17.462 1.00 0.00 C ATOM 7 CD LYS A 1 6.705 3.252 -18.942 1.00 0.00 C ATOM 8 CE LYS A 1 5.716 2.366 -19.673 1.00 0.00 C ATOM 9 NZ LYS A 1 6.329 1.080 -20.109 1.00 0.00 N ATOM 0 H1 LYS A 1 5.606 5.961 -17.502 1.00 0.00 H new ATOM 0 H2 LYS A 1 6.500 6.675 -16.247 1.00 0.00 H new ATOM 0 H3 LYS A 1 7.229 5.524 -17.261 1.00 0.00 H new ATOM 0 HA LYS A 1 5.028 5.043 -15.325 1.00 0.00 H new ATOM 0 HB2 LYS A 1 5.220 2.684 -16.020 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.797 3.691 -17.390 1.00 0.00 H new ATOM 0 HG2 LYS A 1 7.711 3.306 -17.045 1.00 0.00 H new ATOM 0 HG3 LYS A 1 6.827 1.822 -17.344 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.411 4.296 -19.055 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.691 3.148 -19.395 1.00 0.00 H new ATOM 0 HE2 LYS A 1 4.866 2.159 -19.023 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.330 2.896 -20.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 5.617 0.506 -20.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.124 1.274 -20.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 6.674 0.560 -19.277 1.00 0.00 H new ATOM 25 N LEU A 2 6.617 3.618 -13.807 1.00 0.00 N ATOM 26 CA LEU A 2 7.525 3.236 -12.739 1.00 0.00 C ATOM 27 C LEU A 2 8.826 2.624 -13.222 1.00 0.00 C ATOM 28 O LEU A 2 8.884 1.937 -14.244 1.00 0.00 O ATOM 29 CB LEU A 2 6.878 2.187 -11.886 1.00 0.00 C ATOM 30 CG LEU A 2 5.865 2.658 -10.872 1.00 0.00 C ATOM 31 CD1 LEU A 2 5.323 1.444 -10.179 1.00 0.00 C ATOM 32 CD2 LEU A 2 6.485 3.598 -9.863 1.00 0.00 C ATOM 0 H LEU A 2 5.677 3.235 -13.709 1.00 0.00 H new ATOM 0 HA LEU A 2 7.744 4.161 -12.206 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.389 1.469 -12.544 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.664 1.650 -11.355 1.00 0.00 H new ATOM 0 HG LEU A 2 5.071 3.209 -11.376 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.585 1.748 -9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.852 0.787 -10.911 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.137 0.913 -9.685 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.726 3.917 -9.149 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.289 3.086 -9.334 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.888 4.470 -10.378 1.00 0.00 H new ATOM 44 N PRO A 3 9.870 2.813 -12.411 1.00 0.00 N ATOM 45 CA PRO A 3 11.194 2.237 -12.631 1.00 0.00 C ATOM 46 C PRO A 3 11.156 0.748 -12.425 1.00 0.00 C ATOM 47 O PRO A 3 10.258 0.224 -11.764 1.00 0.00 O ATOM 48 CB PRO A 3 12.066 2.864 -11.561 1.00 0.00 C ATOM 49 CG PRO A 3 11.245 3.980 -11.035 1.00 0.00 C ATOM 50 CD PRO A 3 9.824 3.559 -11.163 1.00 0.00 C ATOM 0 HA PRO A 3 11.557 2.423 -13.642 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.314 2.147 -10.778 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.009 3.223 -11.974 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.495 4.188 -9.995 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.430 4.896 -11.597 1.00 0.00 H new ATOM 0 HD2 PRO A 3 9.499 2.942 -10.325 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.144 4.410 -11.215 1.00 0.00 H new ATOM 58 N PRO A 4 12.120 0.044 -12.985 1.00 0.00 N ATOM 59 CA PRO A 4 12.217 -1.390 -12.873 1.00 0.00 C ATOM 60 C PRO A 4 12.085 -1.894 -11.475 1.00 0.00 C ATOM 61 O PRO A 4 12.574 -1.295 -10.517 1.00 0.00 O ATOM 62 CB PRO A 4 13.555 -1.653 -13.447 1.00 0.00 C ATOM 63 CG PRO A 4 13.632 -0.641 -14.489 1.00 0.00 C ATOM 64 CD PRO A 4 13.218 0.563 -13.794 1.00 0.00 C ATOM 0 HA PRO A 4 11.406 -1.909 -13.384 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.347 -1.540 -12.707 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.637 -2.663 -13.850 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.641 -0.550 -14.891 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.974 -0.872 -15.327 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.017 0.985 -13.185 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.893 1.346 -14.480 1.00 0.00 H new ATOM 72 N GLY A 5 11.400 -3.006 -11.387 1.00 0.00 N ATOM 73 CA GLY A 5 11.155 -3.630 -10.124 1.00 0.00 C ATOM 74 C GLY A 5 10.105 -2.919 -9.265 1.00 0.00 C ATOM 75 O GLY A 5 9.601 -3.513 -8.314 1.00 0.00 O ATOM 0 H GLY A 5 11.001 -3.497 -12.187 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.833 -4.657 -10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.091 -3.678 -9.568 1.00 0.00 H new ATOM 79 N TRP A 6 9.769 -1.653 -9.577 1.00 0.00 N ATOM 80 CA TRP A 6 8.787 -0.916 -8.787 1.00 0.00 C ATOM 81 C TRP A 6 7.369 -1.274 -9.179 1.00 0.00 C ATOM 82 O TRP A 6 7.057 -1.441 -10.359 1.00 0.00 O ATOM 83 CB TRP A 6 8.929 0.591 -8.983 1.00 0.00 C ATOM 84 CG TRP A 6 9.880 1.287 -8.093 1.00 0.00 C ATOM 85 CD1 TRP A 6 10.890 2.039 -8.516 1.00 0.00 C ATOM 86 CD2 TRP A 6 9.894 1.362 -6.683 1.00 0.00 C ATOM 87 NE1 TRP A 6 11.602 2.533 -7.475 1.00 0.00 N ATOM 88 CE2 TRP A 6 11.003 2.136 -6.320 1.00 0.00 C ATOM 89 CE3 TRP A 6 9.104 0.846 -5.698 1.00 0.00 C ATOM 90 CZ2 TRP A 6 11.317 2.392 -4.998 1.00 0.00 C ATOM 91 CZ3 TRP A 6 9.412 1.104 -4.401 1.00 0.00 C ATOM 92 CH2 TRP A 6 10.493 1.855 -4.057 1.00 0.00 C ATOM 0 H TRP A 6 10.162 -1.132 -10.361 1.00 0.00 H new ATOM 0 HA TRP A 6 8.978 -1.191 -7.750 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.232 0.773 -10.014 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.947 1.045 -8.854 1.00 0.00 H new ATOM 0 HD1 TRP A 6 11.114 2.231 -9.555 1.00 0.00 H new ATOM 0 HE1 TRP A 6 12.444 3.105 -7.545 1.00 0.00 H new ATOM 0 HE3 TRP A 6 8.245 0.240 -5.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 12.175 2.989 -4.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.782 0.702 -3.621 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.702 2.029 -3.012 1.00 0.00 H new ATOM 103 N GLU A 7 6.511 -1.325 -8.179 1.00 0.00 N ATOM 104 CA GLU A 7 5.098 -1.589 -8.385 1.00 0.00 C ATOM 105 C GLU A 7 4.307 -0.900 -7.289 1.00 0.00 C ATOM 106 O GLU A 7 4.556 -1.124 -6.103 1.00 0.00 O ATOM 107 CB GLU A 7 4.794 -3.095 -8.397 1.00 0.00 C ATOM 108 CG GLU A 7 5.381 -3.846 -9.586 1.00 0.00 C ATOM 109 CD GLU A 7 4.581 -3.642 -10.860 1.00 0.00 C ATOM 110 OE1 GLU A 7 4.698 -2.558 -11.471 1.00 0.00 O ATOM 111 OE2 GLU A 7 3.837 -4.567 -11.248 1.00 0.00 O ATOM 0 H GLU A 7 6.771 -1.185 -7.203 1.00 0.00 H new ATOM 0 HA GLU A 7 4.809 -1.197 -9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.177 -3.538 -7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.713 -3.235 -8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.407 -3.515 -9.749 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.422 -4.910 -9.354 1.00 0.00 H new ATOM 118 N LYS A 8 3.364 -0.052 -7.683 1.00 0.00 N ATOM 119 CA LYS A 8 2.561 0.668 -6.715 1.00 0.00 C ATOM 120 C LYS A 8 1.583 -0.302 -6.051 1.00 0.00 C ATOM 121 O LYS A 8 0.672 -0.823 -6.699 1.00 0.00 O ATOM 122 CB LYS A 8 1.784 1.827 -7.388 1.00 0.00 C ATOM 123 CG LYS A 8 1.211 2.829 -6.389 1.00 0.00 C ATOM 124 CD LYS A 8 0.450 3.944 -7.091 1.00 0.00 C ATOM 125 CE LYS A 8 -1.040 3.885 -6.791 1.00 0.00 C ATOM 126 NZ LYS A 8 -1.852 4.514 -7.870 1.00 0.00 N ATOM 0 H LYS A 8 3.142 0.149 -8.658 1.00 0.00 H new ATOM 0 HA LYS A 8 3.222 1.099 -5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.449 2.350 -8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.971 1.412 -7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.546 2.314 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.020 3.256 -5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.846 4.909 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.608 3.870 -8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.344 2.846 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.240 4.390 -5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.861 4.452 -7.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.581 5.513 -7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.682 4.017 -8.767 1.00 0.00 H new ATOM 140 N ARG A 9 1.790 -0.545 -4.764 1.00 0.00 N ATOM 141 CA ARG A 9 0.943 -1.463 -4.000 1.00 0.00 C ATOM 142 C ARG A 9 0.166 -0.708 -2.931 1.00 0.00 C ATOM 143 O ARG A 9 0.694 0.218 -2.319 1.00 0.00 O ATOM 144 CB ARG A 9 1.795 -2.560 -3.350 1.00 0.00 C ATOM 145 CG ARG A 9 2.795 -3.200 -4.302 1.00 0.00 C ATOM 146 CD ARG A 9 3.592 -4.304 -3.625 1.00 0.00 C ATOM 147 NE ARG A 9 2.762 -5.288 -3.012 1.00 0.00 N ATOM 148 CZ ARG A 9 2.225 -6.301 -3.657 1.00 0.00 C ATOM 149 NH1 ARG A 9 2.217 -6.370 -4.986 1.00 0.00 N ATOM 150 NH2 ARG A 9 1.698 -7.235 -2.938 1.00 0.00 N ATOM 0 H ARG A 9 2.541 -0.118 -4.221 1.00 0.00 H new ATOM 0 HA ARG A 9 0.235 -1.926 -4.687 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.333 -2.136 -2.502 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.136 -3.333 -2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.267 -3.609 -5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.477 -2.438 -4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 9 4.235 -4.786 -4.362 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.245 -3.865 -2.871 1.00 0.00 H new ATOM 0 HE ARG A 9 2.573 -5.201 -2.013 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.636 -5.622 -5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.791 -7.171 -5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.712 -7.165 -1.921 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.268 -8.043 -3.387 1.00 0.00 H new ATOM 164 N CYS A 10 -1.092 -1.094 -2.714 1.00 0.00 N ATOM 165 CA CYS A 10 -1.920 -0.420 -1.717 1.00 0.00 C ATOM 166 C CYS A 10 -2.685 -1.401 -0.835 1.00 0.00 C ATOM 167 O CYS A 10 -3.525 -2.165 -1.315 1.00 0.00 O ATOM 168 CB CYS A 10 -2.895 0.546 -2.401 1.00 0.00 C ATOM 169 SG CYS A 10 -2.167 1.483 -3.787 1.00 0.00 S ATOM 0 H CYS A 10 -1.553 -1.858 -3.208 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.247 0.140 -1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -3.751 -0.019 -2.769 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.272 1.250 -1.659 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.895 1.652 -3.576 1.00 0.00 H new ATOM 174 N PHE A 11 -2.394 -1.352 0.468 1.00 0.00 N ATOM 175 CA PHE A 11 -3.058 -2.210 1.443 1.00 0.00 C ATOM 176 C PHE A 11 -3.864 -1.365 2.433 1.00 0.00 C ATOM 177 O PHE A 11 -3.385 -0.339 2.923 1.00 0.00 O ATOM 178 CB PHE A 11 -2.036 -3.070 2.219 1.00 0.00 C ATOM 179 CG PHE A 11 -1.207 -2.290 3.199 1.00 0.00 C ATOM 180 CD1 PHE A 11 -1.687 -2.045 4.474 1.00 0.00 C ATOM 181 CD2 PHE A 11 0.044 -1.810 2.852 1.00 0.00 C ATOM 182 CE1 PHE A 11 -0.934 -1.334 5.388 1.00 0.00 C ATOM 183 CE2 PHE A 11 0.802 -1.096 3.761 1.00 0.00 C ATOM 184 CZ PHE A 11 0.313 -0.858 5.031 1.00 0.00 C ATOM 0 H PHE A 11 -1.699 -0.723 0.870 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.729 -2.873 0.897 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.569 -3.857 2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.373 -3.561 1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.662 -2.414 4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.432 -1.995 1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.319 -1.150 6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.776 -0.724 3.479 1.00 0.00 H new ATOM 0 HZ PHE A 11 0.904 -0.301 5.743 1.00 0.00 H new ATOM 194 N TYR A 12 -5.065 -1.825 2.758 1.00 0.00 N ATOM 195 CA TYR A 12 -5.908 -1.151 3.730 1.00 0.00 C ATOM 196 C TYR A 12 -5.463 -1.597 5.112 1.00 0.00 C ATOM 197 O TYR A 12 -5.104 -2.762 5.288 1.00 0.00 O ATOM 198 CB TYR A 12 -7.389 -1.508 3.526 1.00 0.00 C ATOM 199 CG TYR A 12 -8.083 -0.549 2.582 1.00 0.00 C ATOM 200 CD1 TYR A 12 -8.099 -0.776 1.211 1.00 0.00 C ATOM 201 CD2 TYR A 12 -8.713 0.591 3.049 1.00 0.00 C ATOM 202 CE1 TYR A 12 -8.709 0.081 0.349 1.00 0.00 C ATOM 203 CE2 TYR A 12 -9.325 1.449 2.197 1.00 0.00 C ATOM 204 CZ TYR A 12 -9.331 1.204 0.840 1.00 0.00 C ATOM 205 OH TYR A 12 -9.953 2.081 -0.020 1.00 0.00 O ATOM 0 H TYR A 12 -5.477 -2.668 2.358 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.810 -0.072 3.612 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.466 -2.522 3.133 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.899 -1.500 4.489 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.613 -1.658 0.819 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.717 0.800 4.109 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.705 -0.119 -0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.812 2.332 2.584 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.128 2.926 0.445 1.00 0.00 H new ATOM 215 N PHE A 13 -5.483 -0.702 6.087 1.00 0.00 N ATOM 216 CA PHE A 13 -5.092 -1.073 7.448 1.00 0.00 C ATOM 217 C PHE A 13 -6.166 -0.661 8.426 1.00 0.00 C ATOM 218 O PHE A 13 -6.421 0.530 8.616 1.00 0.00 O ATOM 219 CB PHE A 13 -3.782 -0.428 7.863 1.00 0.00 C ATOM 220 CG PHE A 13 -3.138 -1.144 9.014 1.00 0.00 C ATOM 221 CD1 PHE A 13 -2.251 -2.171 8.776 1.00 0.00 C ATOM 222 CD2 PHE A 13 -3.397 -0.779 10.330 1.00 0.00 C ATOM 223 CE1 PHE A 13 -1.638 -2.828 9.815 1.00 0.00 C ATOM 224 CE2 PHE A 13 -2.781 -1.420 11.375 1.00 0.00 C ATOM 225 CZ PHE A 13 -1.898 -2.453 11.122 1.00 0.00 C ATOM 0 H PHE A 13 -5.760 0.273 5.970 1.00 0.00 H new ATOM 0 HA PHE A 13 -4.961 -2.155 7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.098 -0.419 7.014 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.962 0.611 8.138 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.035 -2.463 7.759 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.093 0.021 10.533 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.953 -3.638 9.612 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.985 -1.119 12.392 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.413 -2.965 11.940 1.00 0.00 H new ATOM 235 N ASN A 14 -6.777 -1.645 9.062 1.00 0.00 N ATOM 236 CA ASN A 14 -7.801 -1.374 10.032 1.00 0.00 C ATOM 237 C ASN A 14 -7.184 -1.409 11.405 1.00 0.00 C ATOM 238 O ASN A 14 -7.268 -2.420 12.081 1.00 0.00 O ATOM 239 CB ASN A 14 -8.968 -2.367 9.981 1.00 0.00 C ATOM 240 CG ASN A 14 -8.581 -3.787 9.662 1.00 0.00 C ATOM 241 OD1 ASN A 14 -7.447 -4.065 9.328 1.00 0.00 O ATOM 242 ND2 ASN A 14 -9.550 -4.694 9.744 1.00 0.00 N ATOM 0 H ASN A 14 -6.576 -2.635 8.918 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.214 -0.392 9.800 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.480 -2.353 10.943 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.684 -2.025 9.234 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.355 -5.670 9.522 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.488 -4.414 10.029 1.00 0.00 H new ATOM 249 N ARG A 15 -6.535 -0.319 11.792 1.00 0.00 N ATOM 250 CA ARG A 15 -5.858 -0.237 13.077 1.00 0.00 C ATOM 251 C ARG A 15 -6.702 -0.781 14.247 1.00 0.00 C ATOM 252 O ARG A 15 -6.135 -1.134 15.284 1.00 0.00 O ATOM 253 CB ARG A 15 -5.352 1.191 13.312 1.00 0.00 C ATOM 254 CG ARG A 15 -5.095 1.554 14.762 1.00 0.00 C ATOM 255 CD ARG A 15 -3.617 1.850 15.015 1.00 0.00 C ATOM 256 NE ARG A 15 -3.127 2.994 14.239 1.00 0.00 N ATOM 257 CZ ARG A 15 -2.476 2.895 13.073 1.00 0.00 C ATOM 258 NH1 ARG A 15 -2.219 1.705 12.534 1.00 0.00 N ATOM 259 NH2 ARG A 15 -2.073 3.995 12.447 1.00 0.00 N ATOM 0 H ARG A 15 -6.464 0.528 11.227 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.993 -0.899 13.040 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.428 1.329 12.750 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.082 1.890 12.903 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.692 2.425 15.031 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.418 0.735 15.405 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.467 2.045 16.077 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.027 0.968 14.766 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.293 3.928 14.613 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.519 0.854 13.010 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.722 1.644 11.645 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.260 4.911 12.855 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.577 3.924 11.559 1.00 0.00 H new ATOM 273 N ILE A 16 -8.031 -0.945 14.081 1.00 0.00 N ATOM 274 CA ILE A 16 -8.829 -1.523 15.104 1.00 0.00 C ATOM 275 C ILE A 16 -8.405 -2.951 15.295 1.00 0.00 C ATOM 276 O ILE A 16 -8.039 -3.391 16.386 1.00 0.00 O ATOM 277 CB ILE A 16 -10.270 -1.506 14.703 1.00 0.00 C ATOM 278 CG1 ILE A 16 -10.833 -0.096 14.797 1.00 0.00 C ATOM 279 CG2 ILE A 16 -10.975 -2.463 15.604 1.00 0.00 C ATOM 280 CD1 ILE A 16 -9.892 0.982 15.307 1.00 0.00 C ATOM 0 H ILE A 16 -8.543 -0.677 13.241 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.702 -0.954 16.025 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.404 -1.810 13.665 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.182 0.198 13.807 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.707 -0.121 15.449 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.035 -2.487 15.351 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.550 -3.459 15.481 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.856 -2.143 16.639 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.412 1.940 15.327 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.560 0.729 16.314 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.027 1.052 14.647 1.00 0.00 H new ATOM 292 N THR A 17 -8.420 -3.640 14.174 1.00 0.00 N ATOM 293 CA THR A 17 -8.007 -5.004 14.093 1.00 0.00 C ATOM 294 C THR A 17 -6.611 -5.047 13.525 1.00 0.00 C ATOM 295 O THR A 17 -6.140 -6.090 13.068 1.00 0.00 O ATOM 296 CB THR A 17 -9.018 -5.772 13.263 1.00 0.00 C ATOM 297 OG1 THR A 17 -8.688 -5.751 11.890 1.00 0.00 O ATOM 298 CG2 THR A 17 -10.398 -5.197 13.472 1.00 0.00 C ATOM 0 H THR A 17 -8.727 -3.250 13.283 1.00 0.00 H new ATOM 0 HA THR A 17 -7.973 -5.480 15.073 1.00 0.00 H new ATOM 0 HB THR A 17 -9.002 -6.811 13.593 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.144 -6.488 11.433 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.119 -5.754 12.873 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.668 -5.272 14.526 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.406 -4.150 13.169 1.00 0.00 H new ATOM 306 N GLY A 18 -5.997 -3.846 13.529 1.00 0.00 N ATOM 307 CA GLY A 18 -4.688 -3.611 12.956 1.00 0.00 C ATOM 308 C GLY A 18 -4.409 -4.538 11.804 1.00 0.00 C ATOM 309 O GLY A 18 -3.270 -4.954 11.585 1.00 0.00 O ATOM 0 H GLY A 18 -6.416 -3.011 13.940 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.620 -2.578 12.616 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.926 -3.745 13.723 1.00 0.00 H new ATOM 313 N LYS A 19 -5.477 -4.896 11.086 1.00 0.00 N ATOM 314 CA LYS A 19 -5.368 -5.807 9.983 1.00 0.00 C ATOM 315 C LYS A 19 -4.971 -5.128 8.700 1.00 0.00 C ATOM 316 O LYS A 19 -5.129 -3.920 8.533 1.00 0.00 O ATOM 317 CB LYS A 19 -6.679 -6.512 9.782 1.00 0.00 C ATOM 318 CG LYS A 19 -6.747 -7.803 10.516 1.00 0.00 C ATOM 319 CD LYS A 19 -7.877 -8.689 10.014 1.00 0.00 C ATOM 320 CE LYS A 19 -7.501 -10.162 10.073 1.00 0.00 C ATOM 321 NZ LYS A 19 -8.073 -10.839 11.271 1.00 0.00 N ATOM 0 H LYS A 19 -6.423 -4.558 11.263 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.580 -6.517 10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.491 -5.865 10.114 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.831 -6.694 8.718 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.799 -8.330 10.409 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.885 -7.608 11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.770 -8.516 10.615 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.125 -8.417 8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.854 -10.662 9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.415 -10.258 10.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.792 -11.840 11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.716 -10.379 12.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.110 -10.771 11.246 1.00 0.00 H new ATOM 335 N ARG A 20 -4.467 -5.928 7.789 1.00 0.00 N ATOM 336 CA ARG A 20 -4.072 -5.428 6.500 1.00 0.00 C ATOM 337 C ARG A 20 -4.576 -6.294 5.381 1.00 0.00 C ATOM 338 O ARG A 20 -4.540 -7.526 5.445 1.00 0.00 O ATOM 339 CB ARG A 20 -2.574 -5.302 6.388 1.00 0.00 C ATOM 340 CG ARG A 20 -1.838 -6.633 6.321 1.00 0.00 C ATOM 341 CD ARG A 20 -0.577 -6.612 7.171 1.00 0.00 C ATOM 342 NE ARG A 20 -0.133 -7.959 7.529 1.00 0.00 N ATOM 343 CZ ARG A 20 0.665 -8.714 6.769 1.00 0.00 C ATOM 344 NH1 ARG A 20 1.105 -8.267 5.595 1.00 0.00 N ATOM 345 NH2 ARG A 20 1.024 -9.924 7.186 1.00 0.00 N ATOM 0 H ARG A 20 -4.322 -6.929 7.921 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.523 -4.440 6.409 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.335 -4.723 5.496 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.203 -4.738 7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.496 -7.432 6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.578 -6.855 5.286 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.218 -6.101 6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.762 -6.038 8.079 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.453 -8.347 8.416 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.833 -7.340 5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.714 -8.852 5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.690 -10.274 8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.633 -10.503 6.608 1.00 0.00 H new ATOM 359 N GLN A 21 -5.031 -5.625 4.350 1.00 0.00 N ATOM 360 CA GLN A 21 -5.539 -6.284 3.180 1.00 0.00 C ATOM 361 C GLN A 21 -5.341 -5.390 1.981 1.00 0.00 C ATOM 362 O GLN A 21 -5.463 -4.177 2.097 1.00 0.00 O ATOM 363 CB GLN A 21 -7.011 -6.585 3.331 1.00 0.00 C ATOM 364 CG GLN A 21 -7.624 -5.980 4.559 1.00 0.00 C ATOM 365 CD GLN A 21 -9.041 -6.428 4.798 1.00 0.00 C ATOM 366 OE1 GLN A 21 -9.290 -7.325 5.604 1.00 0.00 O ATOM 367 NE2 GLN A 21 -9.983 -5.817 4.109 1.00 0.00 N ATOM 0 H GLN A 21 -5.058 -4.606 4.302 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.000 -7.222 3.048 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.541 -6.218 2.452 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.151 -7.666 3.359 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.017 -6.240 5.426 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.604 -4.894 4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.736 -5.078 3.451 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.960 -6.083 4.234 1.00 0.00 H new ATOM 376 N PHE A 22 -5.097 -5.965 0.821 1.00 0.00 N ATOM 377 CA PHE A 22 -4.955 -5.158 -0.388 1.00 0.00 C ATOM 378 C PHE A 22 -6.352 -4.853 -0.939 1.00 0.00 C ATOM 379 O PHE A 22 -6.599 -4.931 -2.145 1.00 0.00 O ATOM 380 CB PHE A 22 -4.140 -5.917 -1.427 1.00 0.00 C ATOM 381 CG PHE A 22 -2.716 -6.167 -1.014 1.00 0.00 C ATOM 382 CD1 PHE A 22 -1.828 -5.116 -0.853 1.00 0.00 C ATOM 383 CD2 PHE A 22 -2.265 -7.455 -0.779 1.00 0.00 C ATOM 384 CE1 PHE A 22 -0.529 -5.345 -0.470 1.00 0.00 C ATOM 385 CE2 PHE A 22 -0.967 -7.687 -0.397 1.00 0.00 C ATOM 386 CZ PHE A 22 -0.102 -6.631 -0.243 1.00 0.00 C ATOM 0 H PHE A 22 -4.993 -6.970 0.683 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.438 -4.228 -0.154 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.624 -6.873 -1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.145 -5.355 -2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.161 -4.104 -1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.943 -8.287 -0.898 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.154 -4.517 -0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.627 -8.696 -0.218 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.919 -6.813 0.058 1.00 0.00 H new ATOM 396 N GLU A 23 -7.273 -4.573 -0.018 1.00 0.00 N ATOM 397 CA GLU A 23 -8.663 -4.330 -0.329 1.00 0.00 C ATOM 398 C GLU A 23 -9.276 -3.242 0.475 1.00 0.00 C ATOM 399 O GLU A 23 -8.999 -3.097 1.661 1.00 0.00 O ATOM 400 CB GLU A 23 -9.466 -5.577 0.014 1.00 0.00 C ATOM 401 CG GLU A 23 -10.694 -5.282 0.879 1.00 0.00 C ATOM 402 CD GLU A 23 -11.494 -6.521 1.239 1.00 0.00 C ATOM 403 OE1 GLU A 23 -10.896 -7.487 1.759 1.00 0.00 O ATOM 404 OE2 GLU A 23 -12.721 -6.520 1.008 1.00 0.00 O ATOM 0 H GLU A 23 -7.061 -4.510 0.978 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.686 -4.056 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.787 -6.060 -0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.822 -6.284 0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.372 -4.788 1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.341 -4.582 0.350 1.00 0.00 H new ATOM 411 N ARG A 24 -10.252 -2.623 -0.161 1.00 0.00 N ATOM 412 CA ARG A 24 -11.093 -1.668 0.482 1.00 0.00 C ATOM 413 C ARG A 24 -12.179 -2.507 1.129 1.00 0.00 C ATOM 414 O ARG A 24 -13.017 -3.112 0.457 1.00 0.00 O ATOM 415 CB ARG A 24 -11.614 -0.672 -0.521 1.00 0.00 C ATOM 416 CG ARG A 24 -12.570 0.304 0.078 1.00 0.00 C ATOM 417 CD ARG A 24 -12.753 1.506 -0.823 1.00 0.00 C ATOM 418 NE ARG A 24 -12.883 2.747 -0.070 1.00 0.00 N ATOM 419 CZ ARG A 24 -13.970 3.100 0.622 1.00 0.00 C ATOM 420 NH1 ARG A 24 -15.039 2.308 0.657 1.00 0.00 N ATOM 421 NH2 ARG A 24 -13.987 4.252 1.282 1.00 0.00 N ATOM 0 H ARG A 24 -10.474 -2.779 -1.144 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.582 -1.060 1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.775 -0.131 -0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.107 -1.205 -1.333 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -13.532 -0.180 0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.203 0.628 1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.903 1.582 -1.501 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.640 1.363 -1.440 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.091 3.389 -0.071 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.034 1.422 0.152 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.864 2.587 1.189 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.172 4.865 1.260 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.815 4.524 1.811 1.00 0.00 H new ATOM 435 N PRO A 25 -12.095 -2.618 2.450 1.00 0.00 N ATOM 436 CA PRO A 25 -12.977 -3.465 3.255 1.00 0.00 C ATOM 437 C PRO A 25 -14.437 -3.094 3.228 1.00 0.00 C ATOM 438 O PRO A 25 -14.830 -1.926 3.197 1.00 0.00 O ATOM 439 CB PRO A 25 -12.424 -3.363 4.644 1.00 0.00 C ATOM 440 CG PRO A 25 -11.068 -2.786 4.498 1.00 0.00 C ATOM 441 CD PRO A 25 -11.079 -1.954 3.265 1.00 0.00 C ATOM 0 HA PRO A 25 -12.980 -4.476 2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.053 -2.730 5.270 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.383 -4.342 5.121 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.810 -2.182 5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.319 -3.575 4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.341 -0.917 3.476 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.106 -1.943 2.773 1.00 0.00 H new ATOM 449 N SER A 26 -15.212 -4.153 3.284 1.00 0.00 N ATOM 450 CA SER A 26 -16.649 -4.121 3.315 1.00 0.00 C ATOM 451 C SER A 26 -17.134 -3.649 4.635 1.00 0.00 C ATOM 452 O SER A 26 -18.214 -3.072 4.745 1.00 0.00 O ATOM 453 CB SER A 26 -17.158 -5.504 3.110 1.00 0.00 C ATOM 454 OG SER A 26 -16.666 -6.077 1.909 1.00 0.00 O ATOM 0 H SER A 26 -14.837 -5.101 3.310 1.00 0.00 H new ATOM 0 HA SER A 26 -17.001 -3.445 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 26 -16.866 -6.127 3.955 1.00 0.00 H new ATOM 0 HB3 SER A 26 -18.248 -5.490 3.086 1.00 0.00 H new ATOM 0 HG SER A 26 -17.021 -6.985 1.811 1.00 0.00 H new ATOM 460 N ASP A 27 -16.295 -3.933 5.608 1.00 0.00 N ATOM 461 CA ASP A 27 -16.502 -3.588 6.997 1.00 0.00 C ATOM 462 C ASP A 27 -17.071 -4.757 7.806 1.00 0.00 C ATOM 463 O ASP A 27 -16.678 -4.906 8.982 1.00 0.00 O ATOM 464 CB ASP A 27 -17.374 -2.363 7.082 1.00 0.00 C ATOM 465 CG ASP A 27 -18.740 -2.600 7.713 1.00 0.00 C ATOM 466 OD1 ASP A 27 -19.694 -2.922 6.976 1.00 0.00 O ATOM 467 OD2 ASP A 27 -18.851 -2.462 8.950 1.00 0.00 O ATOM 468 OXT ASP A 27 -17.903 -5.513 7.258 1.00 0.00 O ATOM 0 H ASP A 27 -15.418 -4.429 5.447 1.00 0.00 H new ATOM 0 HA ASP A 27 -15.535 -3.362 7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.850 -1.599 7.657 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.516 -1.964 6.078 1.00 0.00 H new TER 473 ASP A 27 ATOM 474 N LYS B 1 -17.890 5.646 3.469 1.00 0.00 N ATOM 475 CA LYS B 1 -16.417 5.629 3.696 1.00 0.00 C ATOM 476 C LYS B 1 -15.977 4.361 4.433 1.00 0.00 C ATOM 477 O LYS B 1 -16.810 3.592 4.917 1.00 0.00 O ATOM 478 CB LYS B 1 -16.025 6.876 4.500 1.00 0.00 C ATOM 479 CG LYS B 1 -16.663 6.952 5.880 1.00 0.00 C ATOM 480 CD LYS B 1 -17.705 8.059 5.954 1.00 0.00 C ATOM 481 CE LYS B 1 -18.784 7.746 6.971 1.00 0.00 C ATOM 482 NZ LYS B 1 -19.739 6.715 6.478 1.00 0.00 N ATOM 0 H1 LYS B 1 -18.233 6.627 3.491 1.00 0.00 H new ATOM 0 H2 LYS B 1 -18.103 5.225 2.542 1.00 0.00 H new ATOM 0 H3 LYS B 1 -18.363 5.097 4.215 1.00 0.00 H new ATOM 0 HA LYS B 1 -15.912 5.634 2.730 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -14.941 6.897 4.611 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -16.305 7.764 3.933 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -17.129 5.996 6.119 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -15.891 7.127 6.629 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -17.219 8.999 6.216 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -18.159 8.198 4.973 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -18.321 7.398 7.894 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -19.329 8.658 7.212 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -20.533 6.630 7.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -20.100 6.995 5.543 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -19.252 5.799 6.401 1.00 0.00 H new ATOM 498 N LEU B 2 -14.659 4.152 4.509 1.00 0.00 N ATOM 499 CA LEU B 2 -14.086 2.992 5.176 1.00 0.00 C ATOM 500 C LEU B 2 -14.632 2.745 6.571 1.00 0.00 C ATOM 501 O LEU B 2 -14.980 3.671 7.306 1.00 0.00 O ATOM 502 CB LEU B 2 -12.610 3.195 5.354 1.00 0.00 C ATOM 503 CG LEU B 2 -11.731 2.958 4.149 1.00 0.00 C ATOM 504 CD1 LEU B 2 -10.329 3.323 4.533 1.00 0.00 C ATOM 505 CD2 LEU B 2 -11.782 1.514 3.704 1.00 0.00 C ATOM 0 H LEU B 2 -13.966 4.784 4.109 1.00 0.00 H new ATOM 0 HA LEU B 2 -14.340 2.145 4.538 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -12.448 4.218 5.694 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -12.272 2.536 6.154 1.00 0.00 H new ATOM 0 HG LEU B 2 -12.082 3.567 3.315 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -9.666 3.163 3.683 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -10.294 4.372 4.829 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -10.006 2.700 5.367 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -11.138 1.378 2.835 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -11.438 0.871 4.514 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -12.806 1.250 3.442 1.00 0.00 H new ATOM 517 N PRO B 3 -14.615 1.468 6.963 1.00 0.00 N ATOM 518 CA PRO B 3 -15.005 1.016 8.297 1.00 0.00 C ATOM 519 C PRO B 3 -14.007 1.490 9.319 1.00 0.00 C ATOM 520 O PRO B 3 -12.869 1.822 8.987 1.00 0.00 O ATOM 521 CB PRO B 3 -14.962 -0.496 8.213 1.00 0.00 C ATOM 522 CG PRO B 3 -14.896 -0.777 6.755 1.00 0.00 C ATOM 523 CD PRO B 3 -14.143 0.355 6.152 1.00 0.00 C ATOM 0 HA PRO B 3 -15.983 1.397 8.592 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -14.095 -0.900 8.736 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -15.846 -0.946 8.666 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -14.394 -1.725 6.563 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -15.895 -0.853 6.327 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -13.064 0.219 6.227 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -14.375 0.488 5.095 1.00 0.00 H new ATOM 531 N PRO B 4 -14.416 1.539 10.572 1.00 0.00 N ATOM 532 CA PRO B 4 -13.579 1.978 11.662 1.00 0.00 C ATOM 533 C PRO B 4 -12.224 1.344 11.696 1.00 0.00 C ATOM 534 O PRO B 4 -12.041 0.164 11.388 1.00 0.00 O ATOM 535 CB PRO B 4 -14.403 1.622 12.840 1.00 0.00 C ATOM 536 CG PRO B 4 -15.749 1.867 12.345 1.00 0.00 C ATOM 537 CD PRO B 4 -15.745 1.188 11.063 1.00 0.00 C ATOM 0 HA PRO B 4 -13.327 3.036 11.594 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -14.260 0.584 13.140 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -14.167 2.240 13.706 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -16.507 1.462 13.015 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -15.954 2.932 12.239 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -15.877 0.111 11.165 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -16.537 1.545 10.404 1.00 0.00 H new ATOM 545 N GLY B 5 -11.278 2.175 12.070 1.00 0.00 N ATOM 546 CA GLY B 5 -9.909 1.765 12.152 1.00 0.00 C ATOM 547 C GLY B 5 -9.224 1.586 10.796 1.00 0.00 C ATOM 548 O GLY B 5 -7.996 1.593 10.732 1.00 0.00 O ATOM 0 H GLY B 5 -11.443 3.149 12.324 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -9.355 2.503 12.731 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -9.856 0.824 12.700 1.00 0.00 H new ATOM 552 N TRP B 6 -9.999 1.420 9.709 1.00 0.00 N ATOM 553 CA TRP B 6 -9.421 1.225 8.383 1.00 0.00 C ATOM 554 C TRP B 6 -8.880 2.518 7.804 1.00 0.00 C ATOM 555 O TRP B 6 -9.387 3.608 8.076 1.00 0.00 O ATOM 556 CB TRP B 6 -10.463 0.686 7.405 1.00 0.00 C ATOM 557 CG TRP B 6 -10.646 -0.781 7.367 1.00 0.00 C ATOM 558 CD1 TRP B 6 -11.810 -1.399 7.541 1.00 0.00 C ATOM 559 CD2 TRP B 6 -9.704 -1.792 7.079 1.00 0.00 C ATOM 560 NE1 TRP B 6 -11.672 -2.746 7.465 1.00 0.00 N ATOM 561 CE2 TRP B 6 -10.378 -3.024 7.165 1.00 0.00 C ATOM 562 CE3 TRP B 6 -8.366 -1.792 6.778 1.00 0.00 C ATOM 563 CZ2 TRP B 6 -9.731 -4.232 6.947 1.00 0.00 C ATOM 564 CZ3 TRP B 6 -7.731 -2.981 6.561 1.00 0.00 C ATOM 565 CH2 TRP B 6 -8.397 -4.175 6.643 1.00 0.00 C ATOM 0 H TRP B 6 -11.019 1.418 9.730 1.00 0.00 H new ATOM 0 HA TRP B 6 -8.608 0.511 8.511 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -11.423 1.142 7.646 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -10.194 1.021 6.403 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -12.747 -0.893 7.720 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -12.413 -3.432 7.609 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -7.821 -0.862 6.713 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -10.255 -5.174 7.014 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -6.678 -2.980 6.319 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -7.857 -5.093 6.464 1.00 0.00 H new ATOM 576 N GLU B 7 -7.879 2.364 6.960 1.00 0.00 N ATOM 577 CA GLU B 7 -7.267 3.478 6.262 1.00 0.00 C ATOM 578 C GLU B 7 -6.535 2.955 5.036 1.00 0.00 C ATOM 579 O GLU B 7 -5.675 2.077 5.140 1.00 0.00 O ATOM 580 CB GLU B 7 -6.318 4.267 7.178 1.00 0.00 C ATOM 581 CG GLU B 7 -5.194 3.434 7.787 1.00 0.00 C ATOM 582 CD GLU B 7 -4.106 4.285 8.413 1.00 0.00 C ATOM 583 OE1 GLU B 7 -3.410 5.006 7.666 1.00 0.00 O ATOM 584 OE2 GLU B 7 -3.946 4.228 9.651 1.00 0.00 O ATOM 0 H GLU B 7 -7.465 1.459 6.738 1.00 0.00 H new ATOM 0 HA GLU B 7 -8.049 4.170 5.949 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -5.879 5.086 6.608 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -6.899 4.715 7.984 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -5.610 2.769 8.544 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -4.756 2.803 7.014 1.00 0.00 H new ATOM 591 N LYS B 8 -6.898 3.478 3.872 1.00 0.00 N ATOM 592 CA LYS B 8 -6.291 3.042 2.629 1.00 0.00 C ATOM 593 C LYS B 8 -4.870 3.605 2.515 1.00 0.00 C ATOM 594 O LYS B 8 -4.668 4.819 2.587 1.00 0.00 O ATOM 595 CB LYS B 8 -7.142 3.505 1.417 1.00 0.00 C ATOM 596 CG LYS B 8 -6.758 2.808 0.118 1.00 0.00 C ATOM 597 CD LYS B 8 -7.365 3.501 -1.092 1.00 0.00 C ATOM 598 CE LYS B 8 -7.296 2.620 -2.330 1.00 0.00 C ATOM 599 NZ LYS B 8 -7.565 3.388 -3.577 1.00 0.00 N ATOM 0 H LYS B 8 -7.608 4.203 3.766 1.00 0.00 H new ATOM 0 HA LYS B 8 -6.246 1.953 2.627 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -8.195 3.316 1.626 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -7.030 4.582 1.292 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -5.672 2.791 0.021 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -7.092 1.771 0.149 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -8.404 3.757 -0.883 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -6.838 4.436 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -6.310 2.160 -2.393 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -8.020 1.810 -2.240 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -7.508 2.750 -4.397 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -8.516 3.806 -3.529 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -6.859 4.145 -3.678 1.00 0.00 H new ATOM 613 N ARG B 9 -3.894 2.715 2.343 1.00 0.00 N ATOM 614 CA ARG B 9 -2.489 3.116 2.225 1.00 0.00 C ATOM 615 C ARG B 9 -1.868 2.560 0.945 1.00 0.00 C ATOM 616 O ARG B 9 -2.304 1.523 0.445 1.00 0.00 O ATOM 617 CB ARG B 9 -1.701 2.624 3.442 1.00 0.00 C ATOM 618 CG ARG B 9 -0.651 3.609 3.933 1.00 0.00 C ATOM 619 CD ARG B 9 -1.031 4.216 5.277 1.00 0.00 C ATOM 620 NE ARG B 9 -1.398 3.236 6.247 1.00 0.00 N ATOM 621 CZ ARG B 9 -0.538 2.627 7.035 1.00 0.00 C ATOM 622 NH1 ARG B 9 0.775 2.682 6.826 1.00 0.00 N ATOM 623 NH2 ARG B 9 -1.028 1.960 8.028 1.00 0.00 N ATOM 0 H ARG B 9 -4.049 1.709 2.282 1.00 0.00 H new ATOM 0 HA ARG B 9 -2.447 4.204 2.183 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.398 2.415 4.254 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -1.213 1.682 3.191 1.00 0.00 H new ATOM 0 HG2 ARG B 9 0.310 3.102 4.022 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -0.526 4.404 3.197 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -0.192 4.799 5.657 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -1.861 4.908 5.135 1.00 0.00 H new ATOM 0 HE ARG B 9 -2.385 2.993 6.335 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.144 3.209 6.034 1.00 0.00 H new ATOM 0 HH12 ARG B 9 1.413 2.197 7.458 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -2.037 1.925 8.170 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -0.405 1.469 8.670 1.00 0.00 H new ATOM 637 N CYS B 10 -0.849 3.249 0.418 1.00 0.00 N ATOM 638 CA CYS B 10 -0.185 2.799 -0.808 1.00 0.00 C ATOM 639 C CYS B 10 1.329 2.981 -0.754 1.00 0.00 C ATOM 640 O CYS B 10 1.832 4.106 -0.778 1.00 0.00 O ATOM 641 CB CYS B 10 -0.742 3.533 -2.033 1.00 0.00 C ATOM 642 SG CYS B 10 -0.119 2.899 -3.619 1.00 0.00 S ATOM 0 H CYS B 10 -0.471 4.109 0.816 1.00 0.00 H new ATOM 0 HA CYS B 10 -0.392 1.732 -0.894 1.00 0.00 H new ATOM 0 HB2 CYS B 10 -1.829 3.459 -2.025 1.00 0.00 H new ATOM 0 HB3 CYS B 10 -0.494 4.592 -1.954 1.00 0.00 H new ATOM 0 HG CYS B 10 -1.110 2.430 -4.318 1.00 0.00 H new ATOM 647 N PHE B 11 2.049 1.856 -0.727 1.00 0.00 N ATOM 648 CA PHE B 11 3.507 1.874 -0.724 1.00 0.00 C ATOM 649 C PHE B 11 4.030 1.267 -2.027 1.00 0.00 C ATOM 650 O PHE B 11 3.581 0.197 -2.447 1.00 0.00 O ATOM 651 CB PHE B 11 4.092 1.098 0.478 1.00 0.00 C ATOM 652 CG PHE B 11 3.933 -0.393 0.384 1.00 0.00 C ATOM 653 CD1 PHE B 11 4.823 -1.144 -0.381 1.00 0.00 C ATOM 654 CD2 PHE B 11 2.910 -1.050 1.061 1.00 0.00 C ATOM 655 CE1 PHE B 11 4.694 -2.524 -0.469 1.00 0.00 C ATOM 656 CE2 PHE B 11 2.777 -2.431 0.979 1.00 0.00 C ATOM 657 CZ PHE B 11 3.671 -3.168 0.213 1.00 0.00 C ATOM 0 H PHE B 11 1.641 0.921 -0.707 1.00 0.00 H new ATOM 0 HA PHE B 11 3.826 2.913 -0.637 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.152 1.334 0.567 1.00 0.00 H new ATOM 0 HB3 PHE B 11 3.610 1.447 1.391 1.00 0.00 H new ATOM 0 HD1 PHE B 11 5.622 -0.647 -0.911 1.00 0.00 H new ATOM 0 HD2 PHE B 11 2.212 -0.481 1.657 1.00 0.00 H new ATOM 0 HE1 PHE B 11 5.389 -3.095 -1.067 1.00 0.00 H new ATOM 0 HE2 PHE B 11 1.980 -2.930 1.510 1.00 0.00 H new ATOM 0 HZ PHE B 11 3.570 -4.241 0.148 1.00 0.00 H new ATOM 667 N TYR B 12 5.003 1.926 -2.640 1.00 0.00 N ATOM 668 CA TYR B 12 5.617 1.420 -3.855 1.00 0.00 C ATOM 669 C TYR B 12 6.609 0.351 -3.452 1.00 0.00 C ATOM 670 O TYR B 12 7.301 0.515 -2.447 1.00 0.00 O ATOM 671 CB TYR B 12 6.340 2.536 -4.626 1.00 0.00 C ATOM 672 CG TYR B 12 5.427 3.198 -5.632 1.00 0.00 C ATOM 673 CD1 TYR B 12 5.305 2.707 -6.928 1.00 0.00 C ATOM 674 CD2 TYR B 12 4.648 4.305 -5.283 1.00 0.00 C ATOM 675 CE1 TYR B 12 4.459 3.289 -7.823 1.00 0.00 C ATOM 676 CE2 TYR B 12 3.801 4.902 -6.178 1.00 0.00 C ATOM 677 CZ TYR B 12 3.701 4.392 -7.460 1.00 0.00 C ATOM 678 OH TYR B 12 2.849 4.975 -8.371 1.00 0.00 O ATOM 0 H TYR B 12 5.384 2.814 -2.313 1.00 0.00 H new ATOM 0 HA TYR B 12 4.847 1.017 -4.513 1.00 0.00 H new ATOM 0 HB2 TYR B 12 6.711 3.283 -3.924 1.00 0.00 H new ATOM 0 HB3 TYR B 12 7.208 2.121 -5.139 1.00 0.00 H new ATOM 0 HD1 TYR B 12 5.890 1.851 -7.229 1.00 0.00 H new ATOM 0 HD2 TYR B 12 4.716 4.700 -4.280 1.00 0.00 H new ATOM 0 HE1 TYR B 12 4.378 2.888 -8.823 1.00 0.00 H new ATOM 0 HE2 TYR B 12 3.217 5.762 -5.886 1.00 0.00 H new ATOM 0 HH TYR B 12 2.715 4.368 -9.128 1.00 0.00 H new ATOM 688 N PHE B 13 6.701 -0.728 -4.211 1.00 0.00 N ATOM 689 CA PHE B 13 7.664 -1.772 -3.883 1.00 0.00 C ATOM 690 C PHE B 13 8.615 -1.950 -5.030 1.00 0.00 C ATOM 691 O PHE B 13 8.214 -2.311 -6.137 1.00 0.00 O ATOM 692 CB PHE B 13 7.003 -3.100 -3.550 1.00 0.00 C ATOM 693 CG PHE B 13 7.929 -4.024 -2.809 1.00 0.00 C ATOM 694 CD1 PHE B 13 8.132 -3.854 -1.451 1.00 0.00 C ATOM 695 CD2 PHE B 13 8.593 -5.065 -3.460 1.00 0.00 C ATOM 696 CE1 PHE B 13 8.964 -4.702 -0.744 1.00 0.00 C ATOM 697 CE2 PHE B 13 9.431 -5.919 -2.766 1.00 0.00 C ATOM 698 CZ PHE B 13 9.615 -5.743 -1.400 1.00 0.00 C ATOM 0 H PHE B 13 6.135 -0.905 -5.041 1.00 0.00 H new ATOM 0 HA PHE B 13 8.200 -1.452 -2.989 1.00 0.00 H new ATOM 0 HB2 PHE B 13 6.113 -2.920 -2.947 1.00 0.00 H new ATOM 0 HB3 PHE B 13 6.673 -3.581 -4.471 1.00 0.00 H new ATOM 0 HD1 PHE B 13 7.633 -3.047 -0.936 1.00 0.00 H new ATOM 0 HD2 PHE B 13 8.450 -5.206 -4.521 1.00 0.00 H new ATOM 0 HE1 PHE B 13 9.109 -4.557 0.316 1.00 0.00 H new ATOM 0 HE2 PHE B 13 9.940 -6.719 -3.283 1.00 0.00 H new ATOM 0 HZ PHE B 13 10.261 -6.411 -0.849 1.00 0.00 H new ATOM 708 N ASN B 14 9.878 -1.691 -4.758 1.00 0.00 N ATOM 709 CA ASN B 14 10.893 -1.814 -5.768 1.00 0.00 C ATOM 710 C ASN B 14 11.483 -3.205 -5.681 1.00 0.00 C ATOM 711 O ASN B 14 12.612 -3.369 -5.248 1.00 0.00 O ATOM 712 CB ASN B 14 11.981 -0.737 -5.604 1.00 0.00 C ATOM 713 CG ASN B 14 12.898 -0.616 -6.805 1.00 0.00 C ATOM 714 OD1 ASN B 14 14.114 -0.499 -6.667 1.00 0.00 O ATOM 715 ND2 ASN B 14 12.318 -0.639 -7.986 1.00 0.00 N ATOM 0 H ASN B 14 10.220 -1.394 -3.844 1.00 0.00 H new ATOM 0 HA ASN B 14 10.450 -1.662 -6.752 1.00 0.00 H new ATOM 0 HB2 ASN B 14 11.503 0.226 -5.423 1.00 0.00 H new ATOM 0 HB3 ASN B 14 12.579 -0.967 -4.722 1.00 0.00 H new ATOM 0 HD21 ASN B 14 12.881 -0.558 -8.832 1.00 0.00 H new ATOM 0 HD22 ASN B 14 11.305 -0.738 -8.055 1.00 0.00 H new ATOM 722 N ARG B 15 10.671 -4.202 -6.042 1.00 0.00 N ATOM 723 CA ARG B 15 11.054 -5.618 -5.960 1.00 0.00 C ATOM 724 C ARG B 15 12.520 -5.893 -6.320 1.00 0.00 C ATOM 725 O ARG B 15 13.085 -6.866 -5.813 1.00 0.00 O ATOM 726 CB ARG B 15 10.093 -6.509 -6.769 1.00 0.00 C ATOM 727 CG ARG B 15 10.778 -7.527 -7.671 1.00 0.00 C ATOM 728 CD ARG B 15 9.947 -8.796 -7.816 1.00 0.00 C ATOM 729 NE ARG B 15 10.013 -9.631 -6.616 1.00 0.00 N ATOM 730 CZ ARG B 15 11.079 -10.356 -6.262 1.00 0.00 C ATOM 731 NH1 ARG B 15 12.175 -10.365 -7.018 1.00 0.00 N ATOM 732 NH2 ARG B 15 11.047 -11.076 -5.146 1.00 0.00 N ATOM 0 H ARG B 15 9.728 -4.052 -6.400 1.00 0.00 H new ATOM 0 HA ARG B 15 10.963 -5.884 -4.907 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.440 -7.039 -6.076 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.456 -5.871 -7.382 1.00 0.00 H new ATOM 0 HG2 ARG B 15 10.947 -7.088 -8.654 1.00 0.00 H new ATOM 0 HG3 ARG B 15 11.757 -7.777 -7.261 1.00 0.00 H new ATOM 0 HD2 ARG B 15 8.909 -8.530 -8.016 1.00 0.00 H new ATOM 0 HD3 ARG B 15 10.301 -9.366 -8.675 1.00 0.00 H new ATOM 0 HE ARG B 15 9.193 -9.662 -6.011 1.00 0.00 H new ATOM 0 HH11 ARG B 15 12.207 -9.815 -7.877 1.00 0.00 H new ATOM 0 HH12 ARG B 15 12.983 -10.922 -6.739 1.00 0.00 H new ATOM 0 HH21 ARG B 15 10.211 -11.075 -4.562 1.00 0.00 H new ATOM 0 HH22 ARG B 15 11.859 -11.630 -4.873 1.00 0.00 H new ATOM 746 N ILE B 16 13.175 -5.042 -7.127 1.00 0.00 N ATOM 747 CA ILE B 16 14.546 -5.239 -7.425 1.00 0.00 C ATOM 748 C ILE B 16 15.339 -5.103 -6.157 1.00 0.00 C ATOM 749 O ILE B 16 16.142 -5.958 -5.781 1.00 0.00 O ATOM 750 CB ILE B 16 15.011 -4.195 -8.388 1.00 0.00 C ATOM 751 CG1 ILE B 16 14.472 -4.475 -9.785 1.00 0.00 C ATOM 752 CG2 ILE B 16 16.502 -4.202 -8.339 1.00 0.00 C ATOM 753 CD1 ILE B 16 13.587 -5.701 -9.944 1.00 0.00 C ATOM 0 H ILE B 16 12.753 -4.224 -7.568 1.00 0.00 H new ATOM 0 HA ILE B 16 14.683 -6.228 -7.862 1.00 0.00 H new ATOM 0 HB ILE B 16 14.638 -3.206 -8.121 1.00 0.00 H new ATOM 0 HG12 ILE B 16 13.906 -3.603 -10.112 1.00 0.00 H new ATOM 0 HG13 ILE B 16 15.320 -4.578 -10.462 1.00 0.00 H new ATOM 0 HG21 ILE B 16 16.892 -3.453 -9.028 1.00 0.00 H new ATOM 0 HG22 ILE B 16 16.834 -3.971 -7.327 1.00 0.00 H new ATOM 0 HG23 ILE B 16 16.871 -5.187 -8.626 1.00 0.00 H new ATOM 0 HD11 ILE B 16 13.270 -5.788 -10.983 1.00 0.00 H new ATOM 0 HD12 ILE B 16 14.146 -6.592 -9.659 1.00 0.00 H new ATOM 0 HD13 ILE B 16 12.710 -5.602 -9.304 1.00 0.00 H new ATOM 765 N THR B 17 15.053 -4.000 -5.506 1.00 0.00 N ATOM 766 CA THR B 17 15.650 -3.650 -4.261 1.00 0.00 C ATOM 767 C THR B 17 14.695 -3.971 -3.137 1.00 0.00 C ATOM 768 O THR B 17 14.836 -3.470 -2.019 1.00 0.00 O ATOM 769 CB THR B 17 16.017 -2.186 -4.333 1.00 0.00 C ATOM 770 OG1 THR B 17 14.882 -1.360 -4.159 1.00 0.00 O ATOM 771 CG2 THR B 17 16.645 -1.903 -5.670 1.00 0.00 C ATOM 0 H THR B 17 14.381 -3.312 -5.845 1.00 0.00 H new ATOM 0 HA THR B 17 16.556 -4.222 -4.063 1.00 0.00 H new ATOM 0 HB THR B 17 16.719 -1.966 -3.529 1.00 0.00 H new ATOM 0 HG1 THR B 17 14.666 -0.918 -5.007 1.00 0.00 H new ATOM 0 HG21 THR B 17 16.913 -0.848 -5.730 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.541 -2.512 -5.787 1.00 0.00 H new ATOM 0 HG23 THR B 17 15.937 -2.143 -6.463 1.00 0.00 H new ATOM 779 N GLY B 18 13.674 -4.773 -3.507 1.00 0.00 N ATOM 780 CA GLY B 18 12.578 -5.127 -2.618 1.00 0.00 C ATOM 781 C GLY B 18 12.240 -3.988 -1.681 1.00 0.00 C ATOM 782 O GLY B 18 11.784 -4.189 -0.556 1.00 0.00 O ATOM 0 H GLY B 18 13.598 -5.188 -4.436 1.00 0.00 H new ATOM 0 HA2 GLY B 18 11.699 -5.389 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY B 18 12.848 -6.010 -2.038 1.00 0.00 H new ATOM 786 N LYS B 19 12.515 -2.781 -2.169 1.00 0.00 N ATOM 787 CA LYS B 19 12.301 -1.560 -1.434 1.00 0.00 C ATOM 788 C LYS B 19 10.849 -1.192 -1.317 1.00 0.00 C ATOM 789 O LYS B 19 10.020 -1.599 -2.123 1.00 0.00 O ATOM 790 CB LYS B 19 12.997 -0.423 -2.127 1.00 0.00 C ATOM 791 CG LYS B 19 14.361 -0.146 -1.581 1.00 0.00 C ATOM 792 CD LYS B 19 14.940 1.149 -2.132 1.00 0.00 C ATOM 793 CE LYS B 19 14.816 2.287 -1.130 1.00 0.00 C ATOM 794 NZ LYS B 19 15.749 3.406 -1.439 1.00 0.00 N ATOM 0 H LYS B 19 12.899 -2.633 -3.102 1.00 0.00 H new ATOM 0 HA LYS B 19 12.698 -1.733 -0.434 1.00 0.00 H new ATOM 0 HB2 LYS B 19 13.077 -0.649 -3.190 1.00 0.00 H new ATOM 0 HB3 LYS B 19 12.387 0.476 -2.037 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.312 -0.088 -0.494 1.00 0.00 H new ATOM 0 HG3 LYS B 19 15.026 -0.974 -1.827 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.989 1.000 -2.387 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.423 1.417 -3.054 1.00 0.00 H new ATOM 0 HE2 LYS B 19 13.791 2.659 -1.129 1.00 0.00 H new ATOM 0 HE3 LYS B 19 15.020 1.911 -0.127 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 15.632 4.160 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 16.729 3.058 -1.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 15.538 3.782 -2.385 1.00 0.00 H new ATOM 808 N ARG B 20 10.570 -0.372 -0.326 1.00 0.00 N ATOM 809 CA ARG B 20 9.237 0.124 -0.114 1.00 0.00 C ATOM 810 C ARG B 20 9.240 1.568 0.297 1.00 0.00 C ATOM 811 O ARG B 20 10.033 2.004 1.135 1.00 0.00 O ATOM 812 CB ARG B 20 8.494 -0.679 0.919 1.00 0.00 C ATOM 813 CG ARG B 20 8.964 -0.448 2.349 1.00 0.00 C ATOM 814 CD ARG B 20 8.731 -1.676 3.216 1.00 0.00 C ATOM 815 NE ARG B 20 7.788 -1.410 4.304 1.00 0.00 N ATOM 816 CZ ARG B 20 6.458 -1.470 4.178 1.00 0.00 C ATOM 817 NH1 ARG B 20 5.899 -1.780 3.011 1.00 0.00 N ATOM 818 NH2 ARG B 20 5.684 -1.217 5.228 1.00 0.00 N ATOM 0 H ARG B 20 11.258 -0.036 0.348 1.00 0.00 H new ATOM 0 HA ARG B 20 8.725 0.026 -1.071 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.433 -0.439 0.854 1.00 0.00 H new ATOM 0 HB3 ARG B 20 8.596 -1.738 0.682 1.00 0.00 H new ATOM 0 HG2 ARG B 20 10.025 -0.197 2.349 1.00 0.00 H new ATOM 0 HG3 ARG B 20 8.435 0.405 2.774 1.00 0.00 H new ATOM 0 HD2 ARG B 20 8.351 -2.489 2.598 1.00 0.00 H new ATOM 0 HD3 ARG B 20 9.681 -2.010 3.633 1.00 0.00 H new ATOM 0 HE ARG B 20 8.170 -1.163 5.217 1.00 0.00 H new ATOM 0 HH11 ARG B 20 6.486 -1.975 2.200 1.00 0.00 H new ATOM 0 HH12 ARG B 20 4.883 -1.823 2.927 1.00 0.00 H new ATOM 0 HH21 ARG B 20 6.105 -0.978 6.126 1.00 0.00 H new ATOM 0 HH22 ARG B 20 4.669 -1.262 5.136 1.00 0.00 H new ATOM 832 N GLN B 21 8.332 2.296 -0.303 1.00 0.00 N ATOM 833 CA GLN B 21 8.181 3.695 -0.030 1.00 0.00 C ATOM 834 C GLN B 21 6.753 4.099 -0.299 1.00 0.00 C ATOM 835 O GLN B 21 6.150 3.611 -1.247 1.00 0.00 O ATOM 836 CB GLN B 21 9.102 4.509 -0.909 1.00 0.00 C ATOM 837 CG GLN B 21 9.851 3.689 -1.923 1.00 0.00 C ATOM 838 CD GLN B 21 10.953 4.452 -2.607 1.00 0.00 C ATOM 839 OE1 GLN B 21 12.128 4.292 -2.276 1.00 0.00 O ATOM 840 NE2 GLN B 21 10.597 5.285 -3.562 1.00 0.00 N ATOM 0 H GLN B 21 7.678 1.931 -0.995 1.00 0.00 H new ATOM 0 HA GLN B 21 8.436 3.881 1.013 1.00 0.00 H new ATOM 0 HB2 GLN B 21 8.517 5.268 -1.429 1.00 0.00 H new ATOM 0 HB3 GLN B 21 9.819 5.036 -0.279 1.00 0.00 H new ATOM 0 HG2 GLN B 21 10.275 2.814 -1.431 1.00 0.00 H new ATOM 0 HG3 GLN B 21 9.151 3.324 -2.674 1.00 0.00 H new ATOM 0 HE21 GLN B 21 9.612 5.389 -3.807 1.00 0.00 H new ATOM 0 HE22 GLN B 21 11.306 5.826 -4.057 1.00 0.00 H new ATOM 849 N PHE B 22 6.216 5.020 0.475 1.00 0.00 N ATOM 850 CA PHE B 22 4.856 5.493 0.226 1.00 0.00 C ATOM 851 C PHE B 22 4.902 6.547 -0.889 1.00 0.00 C ATOM 852 O PHE B 22 4.262 7.598 -0.807 1.00 0.00 O ATOM 853 CB PHE B 22 4.277 6.106 1.493 1.00 0.00 C ATOM 854 CG PHE B 22 4.000 5.104 2.581 1.00 0.00 C ATOM 855 CD1 PHE B 22 3.087 4.071 2.385 1.00 0.00 C ATOM 856 CD2 PHE B 22 4.655 5.188 3.807 1.00 0.00 C ATOM 857 CE1 PHE B 22 2.836 3.149 3.383 1.00 0.00 C ATOM 858 CE2 PHE B 22 4.406 4.269 4.807 1.00 0.00 C ATOM 859 CZ PHE B 22 3.497 3.251 4.592 1.00 0.00 C ATOM 0 H PHE B 22 6.685 5.454 1.270 1.00 0.00 H new ATOM 0 HA PHE B 22 4.223 4.658 -0.075 1.00 0.00 H new ATOM 0 HB2 PHE B 22 4.970 6.857 1.872 1.00 0.00 H new ATOM 0 HB3 PHE B 22 3.351 6.624 1.244 1.00 0.00 H new ATOM 0 HD1 PHE B 22 2.569 3.989 1.441 1.00 0.00 H new ATOM 0 HD2 PHE B 22 5.367 5.982 3.978 1.00 0.00 H new ATOM 0 HE1 PHE B 22 2.126 2.352 3.219 1.00 0.00 H new ATOM 0 HE2 PHE B 22 4.920 4.346 5.754 1.00 0.00 H new ATOM 0 HZ PHE B 22 3.302 2.531 5.373 1.00 0.00 H new ATOM 869 N GLU B 23 5.733 6.270 -1.892 1.00 0.00 N ATOM 870 CA GLU B 23 5.980 7.168 -2.996 1.00 0.00 C ATOM 871 C GLU B 23 6.172 6.478 -4.297 1.00 0.00 C ATOM 872 O GLU B 23 6.754 5.402 -4.358 1.00 0.00 O ATOM 873 CB GLU B 23 7.294 7.893 -2.738 1.00 0.00 C ATOM 874 CG GLU B 23 8.279 7.807 -3.909 1.00 0.00 C ATOM 875 CD GLU B 23 9.604 8.493 -3.631 1.00 0.00 C ATOM 876 OE1 GLU B 23 10.254 8.149 -2.620 1.00 0.00 O ATOM 877 OE2 GLU B 23 9.996 9.370 -4.429 1.00 0.00 O ATOM 0 H GLU B 23 6.258 5.398 -1.952 1.00 0.00 H new ATOM 0 HA GLU B 23 5.107 7.817 -3.057 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.086 8.941 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.763 7.474 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.463 6.759 -4.144 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.823 8.256 -4.792 1.00 0.00 H new ATOM 884 N ARG B 24 5.840 7.225 -5.333 1.00 0.00 N ATOM 885 CA ARG B 24 6.116 6.829 -6.672 1.00 0.00 C ATOM 886 C ARG B 24 7.509 7.365 -6.931 1.00 0.00 C ATOM 887 O ARG B 24 7.734 8.574 -7.021 1.00 0.00 O ATOM 888 CB ARG B 24 5.077 7.369 -7.616 1.00 0.00 C ATOM 889 CG ARG B 24 5.389 7.026 -9.032 1.00 0.00 C ATOM 890 CD ARG B 24 4.665 7.940 -9.998 1.00 0.00 C ATOM 891 NE ARG B 24 3.869 7.204 -10.975 1.00 0.00 N ATOM 892 CZ ARG B 24 2.572 6.913 -10.831 1.00 0.00 C ATOM 893 NH1 ARG B 24 1.909 7.286 -9.738 1.00 0.00 N ATOM 894 NH2 ARG B 24 1.934 6.246 -11.787 1.00 0.00 N ATOM 0 H ARG B 24 5.369 8.126 -5.253 1.00 0.00 H new ATOM 0 HA ARG B 24 6.078 5.751 -6.827 1.00 0.00 H new ATOM 0 HB2 ARG B 24 4.100 6.966 -7.351 1.00 0.00 H new ATOM 0 HB3 ARG B 24 5.015 8.452 -7.509 1.00 0.00 H new ATOM 0 HG2 ARG B 24 6.464 7.099 -9.197 1.00 0.00 H new ATOM 0 HG3 ARG B 24 5.107 5.992 -9.227 1.00 0.00 H new ATOM 0 HD2 ARG B 24 4.016 8.613 -9.438 1.00 0.00 H new ATOM 0 HD3 ARG B 24 5.393 8.560 -10.521 1.00 0.00 H new ATOM 0 HE ARG B 24 4.334 6.890 -11.827 1.00 0.00 H new ATOM 0 HH11 ARG B 24 2.391 7.799 -9.000 1.00 0.00 H new ATOM 0 HH12 ARG B 24 0.920 7.058 -9.639 1.00 0.00 H new ATOM 0 HH21 ARG B 24 2.434 5.957 -12.628 1.00 0.00 H new ATOM 0 HH22 ARG B 24 0.945 6.023 -11.680 1.00 0.00 H new ATOM 908 N PRO B 25 8.466 6.446 -6.956 1.00 0.00 N ATOM 909 CA PRO B 25 9.890 6.751 -7.093 1.00 0.00 C ATOM 910 C PRO B 25 10.226 7.645 -8.258 1.00 0.00 C ATOM 911 O PRO B 25 9.599 7.606 -9.318 1.00 0.00 O ATOM 912 CB PRO B 25 10.548 5.406 -7.178 1.00 0.00 C ATOM 913 CG PRO B 25 9.575 4.458 -6.580 1.00 0.00 C ATOM 914 CD PRO B 25 8.213 5.015 -6.805 1.00 0.00 C ATOM 0 HA PRO B 25 10.248 7.339 -6.248 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.771 5.141 -8.212 1.00 0.00 H new ATOM 0 HB3 PRO B 25 11.493 5.395 -6.635 1.00 0.00 H new ATOM 0 HG2 PRO B 25 9.667 3.473 -7.039 1.00 0.00 H new ATOM 0 HG3 PRO B 25 9.767 4.333 -5.514 1.00 0.00 H new ATOM 0 HD2 PRO B 25 7.745 4.592 -7.694 1.00 0.00 H new ATOM 0 HD3 PRO B 25 7.549 4.809 -5.966 1.00 0.00 H new ATOM 922 N SER B 26 11.233 8.465 -7.999 1.00 0.00 N ATOM 923 CA SER B 26 11.753 9.446 -8.939 1.00 0.00 C ATOM 924 C SER B 26 11.788 8.910 -10.320 1.00 0.00 C ATOM 925 O SER B 26 11.412 9.576 -11.288 1.00 0.00 O ATOM 926 CB SER B 26 13.141 9.852 -8.530 1.00 0.00 C ATOM 927 OG SER B 26 13.739 10.720 -9.479 1.00 0.00 O ATOM 0 H SER B 26 11.724 8.466 -7.105 1.00 0.00 H new ATOM 0 HA SER B 26 11.088 10.310 -8.924 1.00 0.00 H new ATOM 0 HB2 SER B 26 13.104 10.346 -7.559 1.00 0.00 H new ATOM 0 HB3 SER B 26 13.759 8.962 -8.411 1.00 0.00 H new ATOM 0 HG SER B 26 14.639 10.963 -9.178 1.00 0.00 H new ATOM 933 N ASP B 27 12.193 7.678 -10.368 1.00 0.00 N ATOM 934 CA ASP B 27 12.250 6.936 -11.592 1.00 0.00 C ATOM 935 C ASP B 27 13.341 7.428 -12.554 1.00 0.00 C ATOM 936 O ASP B 27 13.976 6.571 -13.203 1.00 0.00 O ATOM 937 CB ASP B 27 10.868 7.020 -12.183 1.00 0.00 C ATOM 938 CG ASP B 27 10.834 7.312 -13.673 1.00 0.00 C ATOM 939 OD1 ASP B 27 10.942 6.354 -14.468 1.00 0.00 O ATOM 940 OD2 ASP B 27 10.699 8.497 -14.043 1.00 0.00 O ATOM 941 OXT ASP B 27 13.551 8.656 -12.655 1.00 0.00 O ATOM 0 H ASP B 27 12.497 7.152 -9.549 1.00 0.00 H new ATOM 0 HA ASP B 27 12.536 5.902 -11.402 1.00 0.00 H new ATOM 0 HB2 ASP B 27 10.351 6.079 -11.999 1.00 0.00 H new ATOM 0 HB3 ASP B 27 10.311 7.798 -11.661 1.00 0.00 H new TER 946 ASP B 27