USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 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: C 15 THR OG1 : rot 74:sc= 1.24 USER MOD Set 1.2: D 17 HIS : no HE2:sc= -0.375 K(o=0.87,f=-4.7!) USER MOD Set 2.1: A 15 THR OG1 : rot -73:sc= 1.08 USER MOD Set 2.2: B 17 HIS : no HE2:sc= 0.964 K(o=2,f=-3.3!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0477) USER MOD Single : B 12 TYR OH : rot 180:sc= 1.21 USER MOD Single : B 15 GLN : amide:sc= 0.865 K(o=0.86,f=-5.7!) USER MOD Single : B 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.06) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= 1.17 K(o=1.2,f=-0.00096) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0.0186 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0463) USER MOD Single : C 19 CYS SG : rot 180:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 12 TYR OH : rot 90:sc= 0 USER MOD Single : D 15 GLN : amide:sc=-0.00184 X(o=-0.0018,f=0) USER MOD Single : D 19 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0687) USER MOD Single : D 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 22 ASN : amide:sc= 2.3 K(o=2.3,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -3.382 6.910 6.834 1.00 10.00 N ATOM 88 CA PRO A 6 -4.513 6.764 5.926 1.00 10.00 C ATOM 89 C PRO A 6 -5.456 5.641 6.395 1.00 10.00 C ATOM 90 O PRO A 6 -4.980 4.545 6.686 1.00 10.00 O ATOM 91 CB PRO A 6 -3.890 6.434 4.565 1.00 10.00 C ATOM 92 CG PRO A 6 -2.579 5.742 4.932 1.00 10.00 C ATOM 93 CD PRO A 6 -2.147 6.496 6.189 1.00 10.00 C ATOM 0 HA PRO A 6 -5.122 7.667 5.884 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -4.536 5.784 3.975 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -3.717 7.333 3.974 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -2.722 4.679 5.126 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -1.840 5.824 4.135 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -1.555 5.858 6.846 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -1.527 7.357 5.937 1.00 10.00 H new ATOM 101 N PRO A 7 -6.786 5.846 6.412 1.00 10.00 N ATOM 102 CA PRO A 7 -7.737 4.792 6.761 1.00 10.00 C ATOM 103 C PRO A 7 -7.632 3.597 5.802 1.00 10.00 C ATOM 104 O PRO A 7 -7.914 2.464 6.185 1.00 10.00 O ATOM 105 CB PRO A 7 -9.117 5.454 6.732 1.00 10.00 C ATOM 106 CG PRO A 7 -8.936 6.604 5.743 1.00 10.00 C ATOM 107 CD PRO A 7 -7.492 7.046 5.990 1.00 10.00 C ATOM 0 HA PRO A 7 -7.533 4.373 7.746 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -9.889 4.759 6.403 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -9.411 5.814 7.718 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -9.088 6.279 4.714 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -9.643 7.412 5.930 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -7.049 7.464 5.086 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -7.444 7.820 6.756 1.00 10.00 H new ATOM 115 N GLY A 8 -7.155 3.834 4.573 1.00 10.00 N ATOM 116 CA GLY A 8 -6.712 2.791 3.652 1.00 10.00 C ATOM 117 C GLY A 8 -5.838 1.718 4.317 1.00 10.00 C ATOM 118 O GLY A 8 -5.993 0.538 4.021 1.00 10.00 O ATOM 0 H GLY A 8 -7.066 4.775 4.188 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -7.586 2.313 3.209 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.152 3.250 2.837 1.00 10.00 H new ATOM 122 N PHE A 9 -4.934 2.102 5.231 1.00 10.00 N ATOM 123 CA PHE A 9 -4.142 1.141 6.003 1.00 10.00 C ATOM 124 C PHE A 9 -5.042 0.231 6.851 1.00 10.00 C ATOM 125 O PHE A 9 -4.953 -0.992 6.769 1.00 10.00 O ATOM 126 CB PHE A 9 -3.120 1.888 6.872 1.00 10.00 C ATOM 127 CG PHE A 9 -2.421 1.039 7.918 1.00 10.00 C ATOM 128 CD1 PHE A 9 -1.823 -0.182 7.558 1.00 10.00 C ATOM 129 CD2 PHE A 9 -2.413 1.447 9.265 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.183 -0.969 8.531 1.00 10.00 C ATOM 131 CE2 PHE A 9 -1.801 0.644 10.243 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.189 -0.567 9.878 1.00 10.00 C ATOM 0 H PHE A 9 -4.735 3.078 5.452 1.00 10.00 H new ATOM 0 HA PHE A 9 -3.601 0.497 5.310 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -2.365 2.328 6.220 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -3.627 2.712 7.375 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -1.856 -0.516 6.531 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -2.878 2.380 9.548 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -0.686 -1.884 8.243 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -1.801 0.958 11.276 1.00 10.00 H new ATOM 0 HZ PHE A 9 -0.724 -1.187 10.630 1.00 10.00 H new ATOM 142 N THR A 10 -5.935 0.821 7.649 1.00 10.00 N ATOM 143 CA THR A 10 -6.907 0.085 8.455 1.00 10.00 C ATOM 144 C THR A 10 -7.759 -0.853 7.587 1.00 10.00 C ATOM 145 O THR A 10 -7.919 -2.031 7.901 1.00 10.00 O ATOM 146 CB THR A 10 -7.787 1.081 9.224 1.00 10.00 C ATOM 147 OG1 THR A 10 -6.973 2.079 9.806 1.00 10.00 O ATOM 148 CG2 THR A 10 -8.573 0.391 10.340 1.00 10.00 C ATOM 0 H THR A 10 -6.003 1.833 7.754 1.00 10.00 H new ATOM 0 HA THR A 10 -6.371 -0.542 9.168 1.00 10.00 H new ATOM 0 HB THR A 10 -8.490 1.517 8.515 1.00 10.00 H new ATOM 0 HG1 THR A 10 -7.535 2.715 10.295 1.00 10.00 H new ATOM 0 HG21 THR A 10 -9.185 1.126 10.863 1.00 10.00 H new ATOM 0 HG22 THR A 10 -9.217 -0.377 9.911 1.00 10.00 H new ATOM 0 HG23 THR A 10 -7.879 -0.069 11.043 1.00 10.00 H new ATOM 156 N ALA A 11 -8.285 -0.337 6.472 1.00 10.00 N ATOM 157 CA ALA A 11 -9.040 -1.125 5.502 1.00 10.00 C ATOM 158 C ALA A 11 -8.214 -2.298 4.950 1.00 10.00 C ATOM 159 O ALA A 11 -8.674 -3.440 4.947 1.00 10.00 O ATOM 160 CB ALA A 11 -9.542 -0.203 4.389 1.00 10.00 C ATOM 0 H ALA A 11 -8.196 0.647 6.218 1.00 10.00 H new ATOM 0 HA ALA A 11 -9.899 -1.573 6.001 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.107 -0.785 3.661 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.185 0.566 4.816 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -8.692 0.268 3.896 1.00 10.00 H new ATOM 166 N LEU A 12 -6.977 -2.036 4.516 1.00 10.00 N ATOM 167 CA LEU A 12 -6.030 -3.067 4.094 1.00 10.00 C ATOM 168 C LEU A 12 -5.850 -4.132 5.181 1.00 10.00 C ATOM 169 O LEU A 12 -6.022 -5.314 4.913 1.00 10.00 O ATOM 170 CB LEU A 12 -4.708 -2.409 3.676 1.00 10.00 C ATOM 171 CG LEU A 12 -3.712 -3.374 3.009 1.00 10.00 C ATOM 172 CD1 LEU A 12 -2.772 -2.546 2.133 1.00 10.00 C ATOM 173 CD2 LEU A 12 -2.859 -4.156 4.020 1.00 10.00 C ATOM 0 H LEU A 12 -6.603 -1.090 4.448 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.427 -3.592 3.225 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -4.923 -1.592 2.988 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.238 -1.970 4.556 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.288 -4.102 2.438 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.053 -3.205 1.646 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.351 -2.018 1.375 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.240 -1.823 2.752 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.178 -4.818 3.486 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.284 -3.458 4.628 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -3.509 -4.748 4.664 1.00 10.00 H new ATOM 185 N ILE A 13 -5.539 -3.733 6.417 1.00 10.00 N ATOM 186 CA ILE A 13 -5.414 -4.650 7.553 1.00 10.00 C ATOM 187 C ILE A 13 -6.672 -5.513 7.738 1.00 10.00 C ATOM 188 O ILE A 13 -6.579 -6.739 7.808 1.00 10.00 O ATOM 189 CB ILE A 13 -5.054 -3.849 8.820 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.601 -3.341 8.766 1.00 10.00 C ATOM 191 CG2 ILE A 13 -5.313 -4.633 10.116 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.543 -4.409 9.077 1.00 10.00 C ATOM 0 H ILE A 13 -5.366 -2.757 6.659 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.606 -5.354 7.352 1.00 10.00 H new ATOM 0 HB ILE A 13 -5.721 -2.987 8.837 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.408 -2.934 7.773 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -3.490 -2.520 9.474 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -5.041 -4.018 10.974 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -6.369 -4.895 10.178 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -4.713 -5.543 10.117 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.549 -3.965 9.017 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -2.705 -4.800 10.081 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.622 -5.221 8.354 1.00 10.00 H new ATOM 204 N LYS A 14 -7.855 -4.895 7.807 1.00 10.00 N ATOM 205 CA LYS A 14 -9.117 -5.620 7.957 1.00 10.00 C ATOM 206 C LYS A 14 -9.349 -6.615 6.808 1.00 10.00 C ATOM 207 O LYS A 14 -9.597 -7.799 7.038 1.00 10.00 O ATOM 208 CB LYS A 14 -10.276 -4.619 8.071 1.00 10.00 C ATOM 209 CG LYS A 14 -10.237 -3.874 9.413 1.00 10.00 C ATOM 210 CD LYS A 14 -11.248 -2.720 9.460 1.00 10.00 C ATOM 211 CE LYS A 14 -12.694 -3.218 9.373 1.00 10.00 C ATOM 212 NZ LYS A 14 -13.646 -2.110 9.568 1.00 10.00 N ATOM 0 H LYS A 14 -7.963 -3.882 7.761 1.00 10.00 H new ATOM 0 HA LYS A 14 -9.066 -6.210 8.872 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -10.222 -3.902 7.252 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -11.225 -5.145 7.972 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -10.447 -4.573 10.222 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -9.233 -3.484 9.582 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -11.113 -2.158 10.384 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -11.052 -2.033 8.637 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -12.865 -3.682 8.402 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -12.864 -3.986 10.128 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -14.619 -2.473 9.505 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -13.496 -1.684 10.505 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -13.496 -1.390 8.832 1.00 10.00 H new ATOM 226 N THR A 15 -9.256 -6.145 5.563 1.00 10.00 N ATOM 227 CA THR A 15 -9.433 -6.991 4.381 1.00 10.00 C ATOM 228 C THR A 15 -8.386 -8.112 4.302 1.00 10.00 C ATOM 229 O THR A 15 -8.735 -9.245 3.987 1.00 10.00 O ATOM 230 CB THR A 15 -9.468 -6.157 3.095 1.00 10.00 C ATOM 231 OG1 THR A 15 -8.306 -5.373 2.974 1.00 10.00 O ATOM 232 CG2 THR A 15 -10.691 -5.239 3.041 1.00 10.00 C ATOM 0 H THR A 15 -9.056 -5.169 5.346 1.00 10.00 H new ATOM 0 HA THR A 15 -10.403 -7.478 4.484 1.00 10.00 H new ATOM 0 HB THR A 15 -9.525 -6.864 2.268 1.00 10.00 H new ATOM 0 HG1 THR A 15 -8.346 -4.629 3.611 1.00 10.00 H new ATOM 0 HG21 THR A 15 -10.676 -4.667 2.113 1.00 10.00 H new ATOM 0 HG22 THR A 15 -11.599 -5.840 3.082 1.00 10.00 H new ATOM 0 HG23 THR A 15 -10.670 -4.555 3.890 1.00 10.00 H new ATOM 240 N LEU A 16 -7.121 -7.838 4.636 1.00 10.00 N ATOM 241 CA LEU A 16 -6.077 -8.852 4.798 1.00 10.00 C ATOM 242 C LEU A 16 -6.501 -9.904 5.827 1.00 10.00 C ATOM 243 O LEU A 16 -6.544 -11.093 5.521 1.00 10.00 O ATOM 244 CB LEU A 16 -4.749 -8.175 5.180 1.00 10.00 C ATOM 245 CG LEU A 16 -3.516 -9.100 5.166 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.253 -8.245 5.003 1.00 10.00 C ATOM 247 CD2 LEU A 16 -3.361 -9.914 6.459 1.00 10.00 C ATOM 0 H LEU A 16 -6.789 -6.888 4.804 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.929 -9.373 3.852 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.571 -7.347 4.494 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.851 -7.746 6.177 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.654 -9.797 4.339 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.375 -8.891 4.992 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.307 -7.691 4.066 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.178 -7.545 5.835 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -2.475 -10.545 6.388 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -3.256 -9.236 7.306 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -4.242 -10.540 6.603 1.00 10.00 H new ATOM 259 N ARG A 17 -6.827 -9.465 7.047 1.00 10.00 N ATOM 260 CA ARG A 17 -7.299 -10.335 8.119 1.00 10.00 C ATOM 261 C ARG A 17 -8.479 -11.209 7.668 1.00 10.00 C ATOM 262 O ARG A 17 -8.519 -12.399 7.974 1.00 10.00 O ATOM 263 CB ARG A 17 -7.621 -9.483 9.356 1.00 10.00 C ATOM 264 CG ARG A 17 -8.152 -10.318 10.530 1.00 10.00 C ATOM 265 CD ARG A 17 -9.686 -10.335 10.571 1.00 10.00 C ATOM 266 NE ARG A 17 -10.173 -11.311 11.555 1.00 10.00 N ATOM 267 CZ ARG A 17 -10.275 -12.630 11.354 1.00 10.00 C ATOM 268 NH1 ARG A 17 -9.908 -13.195 10.208 1.00 10.00 N ATOM 269 NH2 ARG A 17 -10.749 -13.408 12.320 1.00 10.00 N ATOM 0 H ARG A 17 -6.768 -8.483 7.317 1.00 10.00 H new ATOM 0 HA ARG A 17 -6.510 -11.037 8.388 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -6.722 -8.952 9.670 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.360 -8.728 9.089 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -7.780 -11.339 10.447 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -7.768 -9.913 11.466 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -10.058 -9.342 10.823 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -10.078 -10.581 9.584 1.00 10.00 H new ATOM 0 HE ARG A 17 -10.457 -10.954 12.467 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -9.537 -12.620 9.452 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -9.998 -14.204 10.085 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -11.033 -13.000 13.210 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -10.829 -14.414 12.172 1.00 10.00 H new ATOM 283 N LYS A 18 -9.443 -10.636 6.941 1.00 10.00 N ATOM 284 CA LYS A 18 -10.538 -11.403 6.354 1.00 10.00 C ATOM 285 C LYS A 18 -10.010 -12.428 5.336 1.00 10.00 C ATOM 286 O LYS A 18 -10.149 -13.631 5.543 1.00 10.00 O ATOM 287 CB LYS A 18 -11.570 -10.436 5.753 1.00 10.00 C ATOM 288 CG LYS A 18 -12.828 -11.128 5.208 1.00 10.00 C ATOM 289 CD LYS A 18 -13.539 -11.953 6.291 1.00 10.00 C ATOM 290 CE LYS A 18 -14.990 -12.265 5.907 1.00 10.00 C ATOM 291 NZ LYS A 18 -15.069 -13.101 4.696 1.00 10.00 N ATOM 0 H LYS A 18 -9.484 -9.636 6.746 1.00 10.00 H new ATOM 0 HA LYS A 18 -11.040 -11.984 7.128 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.865 -9.715 6.516 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -11.099 -9.873 4.947 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -13.514 -10.378 4.814 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -12.554 -11.778 4.377 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -12.997 -12.885 6.452 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -13.522 -11.407 7.234 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -15.483 -12.776 6.734 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -15.530 -11.333 5.741 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -16.066 -13.290 4.469 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -14.621 -12.603 3.900 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -14.575 -14.001 4.863 1.00 10.00 H new ATOM 305 N CYS A 19 -9.365 -11.954 4.263 1.00 10.00 N ATOM 306 CA CYS A 19 -8.781 -12.753 3.182 1.00 10.00 C ATOM 307 C CYS A 19 -7.972 -13.959 3.683 1.00 10.00 C ATOM 308 O CYS A 19 -8.131 -15.074 3.189 1.00 10.00 O ATOM 309 CB CYS A 19 -7.912 -11.838 2.312 1.00 10.00 C ATOM 310 SG CYS A 19 -7.116 -12.646 0.904 1.00 10.00 S ATOM 0 H CYS A 19 -9.230 -10.953 4.119 1.00 10.00 H new ATOM 0 HA CYS A 19 -9.600 -13.173 2.598 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -8.531 -11.022 1.940 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -7.140 -11.392 2.939 1.00 10.00 H new ATOM 0 HG CYS A 19 -6.412 -11.774 0.244 1.00 10.00 H new ATOM 315 N LYS A 20 -7.099 -13.739 4.669 1.00 10.00 N ATOM 316 CA LYS A 20 -6.246 -14.775 5.251 1.00 10.00 C ATOM 317 C LYS A 20 -6.975 -15.696 6.249 1.00 10.00 C ATOM 318 O LYS A 20 -6.353 -16.619 6.772 1.00 10.00 O ATOM 319 CB LYS A 20 -5.025 -14.112 5.907 1.00 10.00 C ATOM 320 CG LYS A 20 -4.134 -13.316 4.939 1.00 10.00 C ATOM 321 CD LYS A 20 -3.473 -14.187 3.858 1.00 10.00 C ATOM 322 CE LYS A 20 -4.204 -14.076 2.515 1.00 10.00 C ATOM 323 NZ LYS A 20 -3.579 -14.941 1.499 1.00 10.00 N ATOM 0 H LYS A 20 -6.964 -12.821 5.091 1.00 10.00 H new ATOM 0 HA LYS A 20 -5.931 -15.428 4.437 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -5.370 -13.444 6.696 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -4.422 -14.884 6.385 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -4.734 -12.545 4.456 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -3.357 -12.806 5.509 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -2.433 -13.885 3.732 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -3.465 -15.227 4.183 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -5.250 -14.356 2.642 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -4.190 -13.041 2.174 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -4.093 -14.847 0.600 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -2.588 -14.656 1.363 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -3.615 -15.931 1.816 1.00 10.00 H new ATOM 337 N ILE A 21 -8.268 -15.472 6.523 1.00 10.00 N ATOM 338 CA ILE A 21 -9.126 -16.282 7.397 1.00 10.00 C ATOM 339 C ILE A 21 -8.776 -16.139 8.888 1.00 10.00 C ATOM 340 O ILE A 21 -9.647 -15.849 9.707 1.00 10.00 O ATOM 341 CB ILE A 21 -9.187 -17.759 6.944 1.00 10.00 C ATOM 342 CG1 ILE A 21 -9.438 -17.929 5.432 1.00 10.00 C ATOM 343 CG2 ILE A 21 -10.253 -18.519 7.747 1.00 10.00 C ATOM 344 CD1 ILE A 21 -10.714 -17.257 4.914 1.00 10.00 C ATOM 0 H ILE A 21 -8.769 -14.680 6.120 1.00 10.00 H new ATOM 0 HA ILE A 21 -10.132 -15.877 7.291 1.00 10.00 H new ATOM 0 HB ILE A 21 -8.202 -18.181 7.142 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -8.584 -17.524 4.888 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -9.486 -18.994 5.203 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -10.285 -19.558 7.418 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -10.004 -18.482 8.808 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -11.227 -18.057 7.587 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -10.807 -17.430 3.842 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -11.580 -17.677 5.426 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -10.664 -16.185 5.106 1.00 10.00 H new ATOM 356 N ILE A 22 -7.507 -16.333 9.254 1.00 10.00 N ATOM 357 CA ILE A 22 -6.994 -16.142 10.610 1.00 10.00 C ATOM 358 C ILE A 22 -7.023 -14.655 10.999 1.00 10.00 C ATOM 359 O ILE A 22 -7.546 -14.364 12.098 1.00 10.00 O ATOM 360 CB ILE A 22 -5.574 -16.738 10.713 1.00 10.00 C ATOM 361 CG1 ILE A 22 -5.603 -18.243 10.377 1.00 10.00 C ATOM 362 CG2 ILE A 22 -4.992 -16.513 12.118 1.00 10.00 C ATOM 363 CD1 ILE A 22 -4.212 -18.884 10.341 1.00 10.00 C ATOM 364 OXT ILE A 22 -6.498 -13.840 10.207 1.00 10.00 O ATOM 0 H ILE A 22 -6.789 -16.636 8.596 1.00 10.00 H new ATOM 0 HA ILE A 22 -7.635 -16.667 11.318 1.00 10.00 H new ATOM 0 HB ILE A 22 -4.933 -16.230 9.992 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -6.215 -18.761 11.115 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -6.085 -18.383 9.409 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -3.991 -16.940 12.170 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -4.941 -15.444 12.324 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -5.631 -16.995 12.858 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -4.305 -19.943 10.099 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -3.604 -18.391 9.583 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -3.736 -18.775 11.315 1.00 10.00 H new ATOM 465 N ILE B 7 2.044 9.234 -5.129 1.00 10.00 N ATOM 466 CA ILE B 7 1.242 8.614 -6.189 1.00 10.00 C ATOM 467 C ILE B 7 1.480 7.096 -6.291 1.00 10.00 C ATOM 468 O ILE B 7 0.534 6.311 -6.357 1.00 10.00 O ATOM 469 CB ILE B 7 1.429 9.353 -7.530 1.00 10.00 C ATOM 470 CG1 ILE B 7 2.849 9.206 -8.110 1.00 10.00 C ATOM 471 CG2 ILE B 7 1.043 10.830 -7.356 1.00 10.00 C ATOM 472 CD1 ILE B 7 3.052 10.000 -9.403 1.00 10.00 C ATOM 0 HA ILE B 7 0.192 8.721 -5.917 1.00 10.00 H new ATOM 0 HB ILE B 7 0.767 8.887 -8.260 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.575 9.539 -7.368 1.00 10.00 H new ATOM 0 HG13 ILE B 7 3.050 8.152 -8.302 1.00 10.00 H new ATOM 0 HG21 ILE B 7 1.174 11.354 -8.303 1.00 10.00 H new ATOM 0 HG22 ILE B 7 0.001 10.899 -7.044 1.00 10.00 H new ATOM 0 HG23 ILE B 7 1.680 11.286 -6.597 1.00 10.00 H new ATOM 0 HD11 ILE B 7 4.071 9.856 -9.762 1.00 10.00 H new ATOM 0 HD12 ILE B 7 2.348 9.651 -10.159 1.00 10.00 H new ATOM 0 HD13 ILE B 7 2.881 11.059 -9.210 1.00 10.00 H new ATOM 484 N GLU B 8 2.746 6.673 -6.258 1.00 10.00 N ATOM 485 CA GLU B 8 3.132 5.269 -6.326 1.00 10.00 C ATOM 486 C GLU B 8 2.723 4.540 -5.041 1.00 10.00 C ATOM 487 O GLU B 8 2.128 3.466 -5.086 1.00 10.00 O ATOM 488 CB GLU B 8 4.644 5.192 -6.582 1.00 10.00 C ATOM 489 CG GLU B 8 5.116 3.740 -6.754 1.00 10.00 C ATOM 490 CD GLU B 8 6.612 3.666 -7.046 1.00 10.00 C ATOM 491 OE1 GLU B 8 7.385 3.797 -6.072 1.00 10.00 O ATOM 492 OE2 GLU B 8 6.952 3.490 -8.235 1.00 10.00 O ATOM 0 H GLU B 8 3.540 7.309 -6.182 1.00 10.00 H new ATOM 0 HA GLU B 8 2.615 4.770 -7.145 1.00 10.00 H new ATOM 0 HB2 GLU B 8 4.892 5.764 -7.476 1.00 10.00 H new ATOM 0 HB3 GLU B 8 5.178 5.653 -5.751 1.00 10.00 H new ATOM 0 HG2 GLU B 8 4.893 3.175 -5.849 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.562 3.271 -7.567 1.00 10.00 H new ATOM 499 N ALA B 9 3.021 5.146 -3.890 1.00 10.00 N ATOM 500 CA ALA B 9 2.641 4.634 -2.581 1.00 10.00 C ATOM 501 C ALA B 9 1.116 4.461 -2.458 1.00 10.00 C ATOM 502 O ALA B 9 0.642 3.426 -1.994 1.00 10.00 O ATOM 503 CB ALA B 9 3.213 5.566 -1.511 1.00 10.00 C ATOM 0 H ALA B 9 3.542 6.021 -3.846 1.00 10.00 H new ATOM 0 HA ALA B 9 3.059 3.637 -2.440 1.00 10.00 H new ATOM 0 HB1 ALA B 9 2.938 5.198 -0.523 1.00 10.00 H new ATOM 0 HB2 ALA B 9 4.299 5.596 -1.598 1.00 10.00 H new ATOM 0 HB3 ALA B 9 2.810 6.569 -1.649 1.00 10.00 H new ATOM 509 N ARG B 10 0.346 5.456 -2.913 1.00 10.00 N ATOM 510 CA ARG B 10 -1.109 5.386 -3.007 1.00 10.00 C ATOM 511 C ARG B 10 -1.557 4.253 -3.933 1.00 10.00 C ATOM 512 O ARG B 10 -2.388 3.441 -3.536 1.00 10.00 O ATOM 513 CB ARG B 10 -1.687 6.737 -3.448 1.00 10.00 C ATOM 514 CG ARG B 10 -3.222 6.694 -3.421 1.00 10.00 C ATOM 515 CD ARG B 10 -3.893 8.026 -3.795 1.00 10.00 C ATOM 516 NE ARG B 10 -3.262 9.240 -3.239 1.00 10.00 N ATOM 517 CZ ARG B 10 -3.046 9.554 -1.956 1.00 10.00 C ATOM 518 NH1 ARG B 10 -3.143 8.656 -0.984 1.00 10.00 N ATOM 519 NH2 ARG B 10 -2.725 10.802 -1.636 1.00 10.00 N ATOM 0 H ARG B 10 0.728 6.347 -3.231 1.00 10.00 H new ATOM 0 HA ARG B 10 -1.501 5.161 -2.015 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -1.327 7.527 -2.789 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -1.341 6.978 -4.453 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -3.565 5.921 -4.108 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -3.549 6.402 -2.423 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -3.908 8.112 -4.882 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -4.931 7.994 -3.464 1.00 10.00 H new ATOM 0 HE ARG B 10 -2.950 9.930 -3.923 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -3.389 7.691 -1.204 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -2.971 8.931 -0.017 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -2.645 11.511 -2.365 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -2.558 11.052 -0.661 1.00 10.00 H new ATOM 533 N LYS B 11 -1.022 4.184 -5.157 1.00 10.00 N ATOM 534 CA LYS B 11 -1.331 3.093 -6.080 1.00 10.00 C ATOM 535 C LYS B 11 -1.089 1.723 -5.424 1.00 10.00 C ATOM 536 O LYS B 11 -1.987 0.888 -5.389 1.00 10.00 O ATOM 537 CB LYS B 11 -0.527 3.271 -7.375 1.00 10.00 C ATOM 538 CG LYS B 11 -0.921 2.228 -8.430 1.00 10.00 C ATOM 539 CD LYS B 11 -0.150 2.493 -9.728 1.00 10.00 C ATOM 540 CE LYS B 11 -0.455 1.431 -10.793 1.00 10.00 C ATOM 541 NZ LYS B 11 -1.865 1.474 -11.221 1.00 10.00 N ATOM 0 H LYS B 11 -0.371 4.875 -5.530 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.390 3.127 -6.334 1.00 10.00 H new ATOM 0 HB2 LYS B 11 -0.692 4.272 -7.772 1.00 10.00 H new ATOM 0 HB3 LYS B 11 0.538 3.186 -7.158 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -0.702 1.225 -8.064 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -1.994 2.272 -8.617 1.00 10.00 H new ATOM 0 HD2 LYS B 11 -0.411 3.479 -10.112 1.00 10.00 H new ATOM 0 HD3 LYS B 11 0.920 2.504 -9.520 1.00 10.00 H new ATOM 0 HE2 LYS B 11 0.192 1.586 -11.657 1.00 10.00 H new ATOM 0 HE3 LYS B 11 -0.226 0.442 -10.396 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 -2.005 0.826 -12.022 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 -2.477 1.185 -10.431 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 -2.110 2.442 -11.512 1.00 10.00 H new ATOM 555 N TYR B 12 0.108 1.509 -4.874 1.00 10.00 N ATOM 556 CA TYR B 12 0.492 0.317 -4.120 1.00 10.00 C ATOM 557 C TYR B 12 -0.508 -0.004 -2.992 1.00 10.00 C ATOM 558 O TYR B 12 -1.142 -1.060 -3.007 1.00 10.00 O ATOM 559 CB TYR B 12 1.923 0.542 -3.613 1.00 10.00 C ATOM 560 CG TYR B 12 2.490 -0.510 -2.681 1.00 10.00 C ATOM 561 CD1 TYR B 12 3.084 -1.673 -3.207 1.00 10.00 C ATOM 562 CD2 TYR B 12 2.613 -0.225 -1.308 1.00 10.00 C ATOM 563 CE1 TYR B 12 3.815 -2.531 -2.366 1.00 10.00 C ATOM 564 CE2 TYR B 12 3.318 -1.099 -0.463 1.00 10.00 C ATOM 565 CZ TYR B 12 3.947 -2.233 -1.001 1.00 10.00 C ATOM 566 OH TYR B 12 4.691 -3.042 -0.199 1.00 10.00 O ATOM 0 H TYR B 12 0.865 2.189 -4.945 1.00 10.00 H new ATOM 0 HA TYR B 12 0.468 -0.565 -4.760 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.582 0.620 -4.478 1.00 10.00 H new ATOM 0 HB3 TYR B 12 1.955 1.503 -3.100 1.00 10.00 H new ATOM 0 HD1 TYR B 12 2.978 -1.906 -4.256 1.00 10.00 H new ATOM 0 HD2 TYR B 12 2.164 0.669 -0.902 1.00 10.00 H new ATOM 0 HE1 TYR B 12 4.275 -3.420 -2.771 1.00 10.00 H new ATOM 0 HE2 TYR B 12 3.376 -0.899 0.597 1.00 10.00 H new ATOM 0 HH TYR B 12 4.681 -2.694 0.717 1.00 10.00 H new ATOM 576 N LEU B 13 -0.678 0.916 -2.035 1.00 10.00 N ATOM 577 CA LEU B 13 -1.647 0.809 -0.940 1.00 10.00 C ATOM 578 C LEU B 13 -3.041 0.407 -1.447 1.00 10.00 C ATOM 579 O LEU B 13 -3.618 -0.588 -1.006 1.00 10.00 O ATOM 580 CB LEU B 13 -1.689 2.156 -0.193 1.00 10.00 C ATOM 581 CG LEU B 13 -2.827 2.314 0.834 1.00 10.00 C ATOM 582 CD1 LEU B 13 -2.754 1.273 1.951 1.00 10.00 C ATOM 583 CD2 LEU B 13 -2.750 3.707 1.464 1.00 10.00 C ATOM 0 H LEU B 13 -0.131 1.777 -2.001 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.332 0.019 -0.258 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -0.738 2.295 0.321 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -1.774 2.956 -0.928 1.00 10.00 H new ATOM 0 HG LEU B 13 -3.766 2.172 0.300 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -3.578 1.428 2.648 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -2.825 0.273 1.522 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -1.807 1.374 2.481 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -3.554 3.822 2.191 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -1.789 3.828 1.963 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -2.853 4.464 0.687 1.00 10.00 H new ATOM 595 N GLU B 14 -3.591 1.198 -2.370 1.00 10.00 N ATOM 596 CA GLU B 14 -4.949 1.027 -2.857 1.00 10.00 C ATOM 597 C GLU B 14 -5.117 -0.276 -3.652 1.00 10.00 C ATOM 598 O GLU B 14 -6.118 -0.964 -3.484 1.00 10.00 O ATOM 599 CB GLU B 14 -5.370 2.275 -3.645 1.00 10.00 C ATOM 600 CG GLU B 14 -6.898 2.352 -3.812 1.00 10.00 C ATOM 601 CD GLU B 14 -7.626 2.503 -2.476 1.00 10.00 C ATOM 602 OE1 GLU B 14 -7.446 3.567 -1.843 1.00 10.00 O ATOM 603 OE2 GLU B 14 -8.333 1.542 -2.097 1.00 10.00 O ATOM 0 H GLU B 14 -3.097 1.980 -2.800 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.623 0.926 -2.006 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -5.014 3.168 -3.131 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -4.896 2.263 -4.627 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -7.148 3.195 -4.456 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -7.251 1.452 -4.315 1.00 10.00 H new ATOM 610 N GLN B 15 -4.143 -0.647 -4.490 1.00 10.00 N ATOM 611 CA GLN B 15 -4.145 -1.935 -5.182 1.00 10.00 C ATOM 612 C GLN B 15 -4.103 -3.108 -4.196 1.00 10.00 C ATOM 613 O GLN B 15 -4.917 -4.024 -4.308 1.00 10.00 O ATOM 614 CB GLN B 15 -2.989 -2.009 -6.189 1.00 10.00 C ATOM 615 CG GLN B 15 -3.271 -1.153 -7.433 1.00 10.00 C ATOM 616 CD GLN B 15 -4.371 -1.753 -8.303 1.00 10.00 C ATOM 617 OE1 GLN B 15 -5.532 -1.372 -8.212 1.00 10.00 O ATOM 618 NE2 GLN B 15 -4.030 -2.706 -9.157 1.00 10.00 N ATOM 0 H GLN B 15 -3.335 -0.063 -4.705 1.00 10.00 H new ATOM 0 HA GLN B 15 -5.082 -2.016 -5.734 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -2.069 -1.670 -5.714 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -2.831 -3.045 -6.487 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -3.561 -0.149 -7.124 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -2.358 -1.055 -8.020 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -3.059 -3.011 -9.220 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -4.739 -3.135 -9.752 1.00 10.00 H new ATOM 627 N LEU B 16 -3.189 -3.087 -3.219 1.00 10.00 N ATOM 628 CA LEU B 16 -3.166 -4.102 -2.165 1.00 10.00 C ATOM 629 C LEU B 16 -4.533 -4.204 -1.469 1.00 10.00 C ATOM 630 O LEU B 16 -5.143 -5.271 -1.460 1.00 10.00 O ATOM 631 CB LEU B 16 -2.047 -3.802 -1.157 1.00 10.00 C ATOM 632 CG LEU B 16 -0.633 -4.021 -1.717 1.00 10.00 C ATOM 633 CD1 LEU B 16 0.382 -3.378 -0.766 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.301 -5.512 -1.863 1.00 10.00 C ATOM 0 H LEU B 16 -2.459 -2.380 -3.138 1.00 10.00 H new ATOM 0 HA LEU B 16 -2.959 -5.069 -2.622 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -2.139 -2.769 -0.823 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -2.182 -4.434 -0.279 1.00 10.00 H new ATOM 0 HG LEU B 16 -0.587 -3.566 -2.706 1.00 10.00 H new ATOM 0 HD11 LEU B 16 1.390 -3.528 -1.154 1.00 10.00 H new ATOM 0 HD12 LEU B 16 0.179 -2.310 -0.685 1.00 10.00 H new ATOM 0 HD13 LEU B 16 0.300 -3.838 0.219 1.00 10.00 H new ATOM 0 HD21 LEU B 16 0.707 -5.623 -2.262 1.00 10.00 H new ATOM 0 HD22 LEU B 16 -0.361 -5.995 -0.888 1.00 10.00 H new ATOM 0 HD23 LEU B 16 -1.014 -5.979 -2.543 1.00 10.00 H new ATOM 646 N HIS B 17 -5.041 -3.089 -0.932 1.00 10.00 N ATOM 647 CA HIS B 17 -6.381 -3.022 -0.349 1.00 10.00 C ATOM 648 C HIS B 17 -7.451 -3.624 -1.278 1.00 10.00 C ATOM 649 O HIS B 17 -8.205 -4.503 -0.875 1.00 10.00 O ATOM 650 CB HIS B 17 -6.699 -1.564 0.008 1.00 10.00 C ATOM 651 CG HIS B 17 -8.140 -1.336 0.385 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.996 -0.452 -0.234 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.871 -2.058 1.289 1.00 10.00 C ATOM 654 CE1 HIS B 17 -10.216 -0.634 0.298 1.00 10.00 C ATOM 655 NE2 HIS B 17 -10.192 -1.603 1.227 1.00 10.00 N ATOM 0 H HIS B 17 -4.531 -2.207 -0.891 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.397 -3.627 0.558 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -6.062 -1.254 0.836 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.449 -0.928 -0.841 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.749 0.218 -0.963 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -8.495 -2.839 1.934 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -11.097 -0.076 0.016 1.00 10.00 H new ATOM 663 N ARG B 18 -7.518 -3.161 -2.528 1.00 10.00 N ATOM 664 CA ARG B 18 -8.462 -3.631 -3.536 1.00 10.00 C ATOM 665 C ARG B 18 -8.388 -5.152 -3.740 1.00 10.00 C ATOM 666 O ARG B 18 -9.413 -5.831 -3.710 1.00 10.00 O ATOM 667 CB ARG B 18 -8.212 -2.853 -4.835 1.00 10.00 C ATOM 668 CG ARG B 18 -9.173 -3.237 -5.967 1.00 10.00 C ATOM 669 CD ARG B 18 -8.972 -2.302 -7.165 1.00 10.00 C ATOM 670 NE ARG B 18 -9.440 -0.940 -6.848 1.00 10.00 N ATOM 671 CZ ARG B 18 -8.715 0.183 -6.764 1.00 10.00 C ATOM 672 NH1 ARG B 18 -7.415 0.228 -7.050 1.00 10.00 N ATOM 673 NH2 ARG B 18 -9.320 1.304 -6.382 1.00 10.00 N ATOM 0 H ARG B 18 -6.898 -2.428 -2.874 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.479 -3.440 -3.194 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -8.306 -1.786 -4.635 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -7.187 -3.027 -5.163 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -8.999 -4.270 -6.268 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -10.203 -3.176 -5.617 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -7.917 -2.275 -7.438 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -9.515 -2.687 -8.028 1.00 10.00 H new ATOM 0 HE ARG B 18 -10.440 -0.841 -6.671 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -6.929 -0.618 -7.348 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -6.906 1.108 -6.971 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -10.316 1.296 -6.160 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -8.788 2.172 -6.311 1.00 10.00 H new ATOM 687 N LYS B 19 -7.188 -5.703 -3.938 1.00 10.00 N ATOM 688 CA LYS B 19 -6.989 -7.145 -4.071 1.00 10.00 C ATOM 689 C LYS B 19 -7.460 -7.895 -2.816 1.00 10.00 C ATOM 690 O LYS B 19 -8.269 -8.818 -2.900 1.00 10.00 O ATOM 691 CB LYS B 19 -5.511 -7.427 -4.377 1.00 10.00 C ATOM 692 CG LYS B 19 -5.142 -6.951 -5.789 1.00 10.00 C ATOM 693 CD LYS B 19 -3.628 -7.073 -6.001 1.00 10.00 C ATOM 694 CE LYS B 19 -3.210 -6.526 -7.370 1.00 10.00 C ATOM 695 NZ LYS B 19 -3.772 -7.325 -8.474 1.00 10.00 N ATOM 0 H LYS B 19 -6.328 -5.160 -4.010 1.00 10.00 H new ATOM 0 HA LYS B 19 -7.596 -7.512 -4.899 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -4.881 -6.924 -3.643 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -5.314 -8.495 -4.286 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -5.671 -7.546 -6.533 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -5.455 -5.916 -5.927 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -3.104 -6.530 -5.215 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -3.330 -8.118 -5.919 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -3.541 -5.492 -7.465 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -2.122 -6.520 -7.442 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -3.386 -6.987 -9.379 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -3.520 -8.325 -8.342 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -4.807 -7.227 -8.481 1.00 10.00 H new ATOM 709 N LEU B 20 -6.982 -7.476 -1.642 1.00 10.00 N ATOM 710 CA LEU B 20 -7.370 -8.046 -0.350 1.00 10.00 C ATOM 711 C LEU B 20 -8.885 -7.949 -0.098 1.00 10.00 C ATOM 712 O LEU B 20 -9.470 -8.846 0.503 1.00 10.00 O ATOM 713 CB LEU B 20 -6.559 -7.356 0.754 1.00 10.00 C ATOM 714 CG LEU B 20 -5.136 -7.914 0.950 1.00 10.00 C ATOM 715 CD1 LEU B 20 -4.403 -8.383 -0.315 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.288 -6.836 1.627 1.00 10.00 C ATOM 0 H LEU B 20 -6.303 -6.719 -1.561 1.00 10.00 H new ATOM 0 HA LEU B 20 -7.144 -9.112 -0.352 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.490 -6.293 0.525 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -7.102 -7.444 1.695 1.00 10.00 H new ATOM 0 HG LEU B 20 -5.264 -8.814 1.551 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -3.414 -8.753 -0.046 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -4.972 -9.182 -0.791 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.302 -7.548 -1.008 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.275 -7.210 1.776 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.258 -5.947 0.996 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -4.726 -6.581 2.592 1.00 10.00 H new ATOM 728 N LYS B 21 -9.543 -6.886 -0.565 1.00 10.00 N ATOM 729 CA LYS B 21 -10.999 -6.778 -0.557 1.00 10.00 C ATOM 730 C LYS B 21 -11.614 -7.830 -1.493 1.00 10.00 C ATOM 731 O LYS B 21 -12.387 -8.680 -1.054 1.00 10.00 O ATOM 732 CB LYS B 21 -11.395 -5.336 -0.923 1.00 10.00 C ATOM 733 CG LYS B 21 -12.877 -4.996 -0.706 1.00 10.00 C ATOM 734 CD LYS B 21 -13.808 -5.604 -1.766 1.00 10.00 C ATOM 735 CE LYS B 21 -15.184 -4.935 -1.706 1.00 10.00 C ATOM 736 NZ LYS B 21 -16.100 -5.529 -2.697 1.00 10.00 N ATOM 0 H LYS B 21 -9.075 -6.071 -0.962 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.395 -6.986 0.437 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.790 -4.648 -0.333 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -11.147 -5.162 -1.970 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -13.182 -5.349 0.279 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -12.997 -3.913 -0.707 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -13.375 -5.475 -2.758 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -13.909 -6.676 -1.600 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -15.603 -5.044 -0.706 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -15.082 -3.866 -1.894 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -17.026 -5.060 -2.638 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -15.708 -5.402 -3.652 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -16.213 -6.544 -2.501 1.00 10.00 H new ATOM 750 N ASN B 22 -11.266 -7.789 -2.784 1.00 10.00 N ATOM 751 CA ASN B 22 -11.818 -8.686 -3.804 1.00 10.00 C ATOM 752 C ASN B 22 -11.598 -10.176 -3.492 1.00 10.00 C ATOM 753 O ASN B 22 -12.432 -11.002 -3.852 1.00 10.00 O ATOM 754 CB ASN B 22 -11.281 -8.311 -5.192 1.00 10.00 C ATOM 755 CG ASN B 22 -12.019 -7.109 -5.773 1.00 10.00 C ATOM 756 OD1 ASN B 22 -12.954 -7.256 -6.547 1.00 10.00 O ATOM 757 ND2 ASN B 22 -11.623 -5.897 -5.417 1.00 10.00 N ATOM 0 H ASN B 22 -10.586 -7.125 -3.153 1.00 10.00 H new ATOM 0 HA ASN B 22 -12.899 -8.546 -3.797 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -10.217 -8.087 -5.123 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -11.384 -9.162 -5.865 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -12.099 -5.075 -5.789 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -10.842 -5.785 -4.771 1.00 10.00 H new ATOM 914 N PRO C 7 6.096 6.076 5.331 1.00 10.00 N ATOM 915 CA PRO C 7 7.151 5.086 5.151 1.00 10.00 C ATOM 916 C PRO C 7 6.950 3.894 6.093 1.00 10.00 C ATOM 917 O PRO C 7 7.159 2.751 5.696 1.00 10.00 O ATOM 918 CB PRO C 7 8.465 5.832 5.408 1.00 10.00 C ATOM 919 CG PRO C 7 8.052 6.990 6.316 1.00 10.00 C ATOM 920 CD PRO C 7 6.650 7.331 5.814 1.00 10.00 C ATOM 0 HA PRO C 7 7.148 4.657 4.149 1.00 10.00 H new ATOM 0 HB2 PRO C 7 9.203 5.190 5.889 1.00 10.00 H new ATOM 0 HB3 PRO C 7 8.910 6.190 4.480 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.046 6.698 7.366 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.731 7.837 6.225 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.038 7.749 6.613 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.688 8.075 5.019 1.00 10.00 H new ATOM 928 N GLY C 8 6.477 4.157 7.317 1.00 10.00 N ATOM 929 CA GLY C 8 6.055 3.134 8.269 1.00 10.00 C ATOM 930 C GLY C 8 5.111 2.081 7.671 1.00 10.00 C ATOM 931 O GLY C 8 5.235 0.901 7.985 1.00 10.00 O ATOM 0 H GLY C 8 6.377 5.106 7.676 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.938 2.633 8.665 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.559 3.617 9.111 1.00 10.00 H new ATOM 935 N PHE C 9 4.172 2.481 6.803 1.00 10.00 N ATOM 936 CA PHE C 9 3.271 1.538 6.140 1.00 10.00 C ATOM 937 C PHE C 9 4.041 0.628 5.172 1.00 10.00 C ATOM 938 O PHE C 9 3.993 -0.596 5.278 1.00 10.00 O ATOM 939 CB PHE C 9 2.139 2.296 5.435 1.00 10.00 C ATOM 940 CG PHE C 9 1.364 1.441 4.458 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.534 0.416 4.941 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.631 1.535 3.079 1.00 10.00 C ATOM 943 CE1 PHE C 9 -0.066 -0.484 4.044 1.00 10.00 C ATOM 944 CE2 PHE C 9 1.020 0.645 2.183 1.00 10.00 C ATOM 945 CZ PHE C 9 0.185 -0.375 2.665 1.00 10.00 C ATOM 0 H PHE C 9 4.019 3.456 6.545 1.00 10.00 H new ATOM 0 HA PHE C 9 2.822 0.891 6.894 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.453 2.691 6.185 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.559 3.151 4.905 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.357 0.320 6.002 1.00 10.00 H new ATOM 0 HD2 PHE C 9 2.307 2.293 2.711 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.720 -1.260 4.414 1.00 10.00 H new ATOM 0 HE2 PHE C 9 1.192 0.745 1.122 1.00 10.00 H new ATOM 0 HZ PHE C 9 -0.264 -1.076 1.977 1.00 10.00 H new ATOM 955 N THR C 10 4.780 1.226 4.234 1.00 10.00 N ATOM 956 CA THR C 10 5.608 0.485 3.283 1.00 10.00 C ATOM 957 C THR C 10 6.552 -0.483 4.009 1.00 10.00 C ATOM 958 O THR C 10 6.643 -1.661 3.660 1.00 10.00 O ATOM 959 CB THR C 10 6.382 1.482 2.409 1.00 10.00 C ATOM 960 OG1 THR C 10 5.484 2.453 1.914 1.00 10.00 O ATOM 961 CG2 THR C 10 7.039 0.786 1.216 1.00 10.00 C ATOM 0 H THR C 10 4.820 2.238 4.114 1.00 10.00 H new ATOM 0 HA THR C 10 4.968 -0.122 2.642 1.00 10.00 H new ATOM 0 HB THR C 10 7.159 1.938 3.023 1.00 10.00 H new ATOM 0 HG1 THR C 10 5.971 3.095 1.356 1.00 10.00 H new ATOM 0 HG21 THR C 10 7.579 1.521 0.618 1.00 10.00 H new ATOM 0 HG22 THR C 10 7.735 0.028 1.575 1.00 10.00 H new ATOM 0 HG23 THR C 10 6.272 0.313 0.603 1.00 10.00 H new ATOM 969 N ALA C 11 7.226 0.015 5.050 1.00 10.00 N ATOM 970 CA ALA C 11 8.089 -0.766 5.926 1.00 10.00 C ATOM 971 C ALA C 11 7.328 -1.903 6.627 1.00 10.00 C ATOM 972 O ALA C 11 7.782 -3.045 6.590 1.00 10.00 O ATOM 973 CB ALA C 11 8.776 0.175 6.917 1.00 10.00 C ATOM 0 H ALA C 11 7.182 1.000 5.309 1.00 10.00 H new ATOM 0 HA ALA C 11 8.853 -1.259 5.325 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.424 -0.402 7.577 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.372 0.906 6.371 1.00 10.00 H new ATOM 0 HB3 ALA C 11 8.022 0.692 7.510 1.00 10.00 H new ATOM 979 N LEU C 12 6.156 -1.629 7.216 1.00 10.00 N ATOM 980 CA LEU C 12 5.272 -2.663 7.760 1.00 10.00 C ATOM 981 C LEU C 12 5.010 -3.758 6.724 1.00 10.00 C ATOM 982 O LEU C 12 5.267 -4.925 6.997 1.00 10.00 O ATOM 983 CB LEU C 12 3.970 -2.041 8.297 1.00 10.00 C ATOM 984 CG LEU C 12 2.975 -3.051 8.909 1.00 10.00 C ATOM 985 CD1 LEU C 12 2.036 -2.303 9.859 1.00 10.00 C ATOM 986 CD2 LEU C 12 2.091 -3.760 7.871 1.00 10.00 C ATOM 0 H LEU C 12 5.796 -0.681 7.328 1.00 10.00 H new ATOM 0 HA LEU C 12 5.771 -3.139 8.604 1.00 10.00 H new ATOM 0 HB2 LEU C 12 4.224 -1.298 9.053 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.474 -1.511 7.484 1.00 10.00 H new ATOM 0 HG LEU C 12 3.579 -3.807 9.410 1.00 10.00 H new ATOM 0 HD11 LEU C 12 1.328 -3.005 10.298 1.00 10.00 H new ATOM 0 HD12 LEU C 12 2.619 -1.832 10.651 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.492 -1.538 9.305 1.00 10.00 H new ATOM 0 HD21 LEU C 12 1.419 -4.453 8.378 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.505 -3.020 7.326 1.00 10.00 H new ATOM 0 HD23 LEU C 12 2.721 -4.311 7.172 1.00 10.00 H new ATOM 998 N ILE C 13 4.520 -3.405 5.531 1.00 10.00 N ATOM 999 CA ILE C 13 4.223 -4.393 4.488 1.00 10.00 C ATOM 1000 C ILE C 13 5.474 -5.189 4.076 1.00 10.00 C ATOM 1001 O ILE C 13 5.432 -6.417 4.006 1.00 10.00 O ATOM 1002 CB ILE C 13 3.527 -3.725 3.290 1.00 10.00 C ATOM 1003 CG1 ILE C 13 2.180 -3.076 3.660 1.00 10.00 C ATOM 1004 CG2 ILE C 13 3.313 -4.736 2.157 1.00 10.00 C ATOM 1005 CD1 ILE C 13 1.084 -4.057 4.098 1.00 10.00 C ATOM 0 H ILE C 13 4.320 -2.441 5.263 1.00 10.00 H new ATOM 0 HA ILE C 13 3.528 -5.123 4.903 1.00 10.00 H new ATOM 0 HB ILE C 13 4.193 -2.928 2.958 1.00 10.00 H new ATOM 0 HG12 ILE C 13 2.348 -2.360 4.465 1.00 10.00 H new ATOM 0 HG13 ILE C 13 1.818 -2.511 2.801 1.00 10.00 H new ATOM 0 HG21 ILE C 13 2.819 -4.244 1.319 1.00 10.00 H new ATOM 0 HG22 ILE C 13 4.277 -5.127 1.832 1.00 10.00 H new ATOM 0 HG23 ILE C 13 2.690 -5.556 2.514 1.00 10.00 H new ATOM 0 HD11 ILE C 13 0.175 -3.504 4.337 1.00 10.00 H new ATOM 0 HD12 ILE C 13 0.880 -4.759 3.289 1.00 10.00 H new ATOM 0 HD13 ILE C 13 1.418 -4.606 4.979 1.00 10.00 H new ATOM 1017 N LYS C 14 6.605 -4.519 3.844 1.00 10.00 N ATOM 1018 CA LYS C 14 7.874 -5.206 3.595 1.00 10.00 C ATOM 1019 C LYS C 14 8.216 -6.191 4.728 1.00 10.00 C ATOM 1020 O LYS C 14 8.583 -7.340 4.481 1.00 10.00 O ATOM 1021 CB LYS C 14 8.974 -4.158 3.379 1.00 10.00 C ATOM 1022 CG LYS C 14 10.295 -4.802 2.936 1.00 10.00 C ATOM 1023 CD LYS C 14 11.416 -3.766 2.772 1.00 10.00 C ATOM 1024 CE LYS C 14 11.151 -2.795 1.615 1.00 10.00 C ATOM 1025 NZ LYS C 14 12.313 -1.918 1.387 1.00 10.00 N ATOM 0 H LYS C 14 6.668 -3.501 3.823 1.00 10.00 H new ATOM 0 HA LYS C 14 7.789 -5.811 2.692 1.00 10.00 H new ATOM 0 HB2 LYS C 14 8.649 -3.440 2.626 1.00 10.00 H new ATOM 0 HB3 LYS C 14 9.133 -3.602 4.303 1.00 10.00 H new ATOM 0 HG2 LYS C 14 10.597 -5.550 3.669 1.00 10.00 H new ATOM 0 HG3 LYS C 14 10.144 -5.325 1.992 1.00 10.00 H new ATOM 0 HD2 LYS C 14 11.524 -3.202 3.698 1.00 10.00 H new ATOM 0 HD3 LYS C 14 12.361 -4.281 2.601 1.00 10.00 H new ATOM 0 HE2 LYS C 14 10.931 -3.357 0.707 1.00 10.00 H new ATOM 0 HE3 LYS C 14 10.272 -2.190 1.837 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 12.110 -1.270 0.599 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 12.506 -1.367 2.248 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 13.144 -2.497 1.153 1.00 10.00 H new ATOM 1039 N THR C 15 8.059 -5.759 5.980 1.00 10.00 N ATOM 1040 CA THR C 15 8.280 -6.602 7.156 1.00 10.00 C ATOM 1041 C THR C 15 7.253 -7.741 7.244 1.00 10.00 C ATOM 1042 O THR C 15 7.587 -8.831 7.696 1.00 10.00 O ATOM 1043 CB THR C 15 8.302 -5.752 8.436 1.00 10.00 C ATOM 1044 OG1 THR C 15 9.192 -4.668 8.288 1.00 10.00 O ATOM 1045 CG2 THR C 15 8.833 -6.549 9.626 1.00 10.00 C ATOM 0 H THR C 15 7.773 -4.807 6.208 1.00 10.00 H new ATOM 0 HA THR C 15 9.258 -7.073 7.051 1.00 10.00 H new ATOM 0 HB THR C 15 7.276 -5.426 8.605 1.00 10.00 H new ATOM 0 HG1 THR C 15 8.791 -3.994 7.700 1.00 10.00 H new ATOM 0 HG21 THR C 15 8.835 -5.918 10.515 1.00 10.00 H new ATOM 0 HG22 THR C 15 8.194 -7.415 9.798 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.849 -6.883 9.416 1.00 10.00 H new ATOM 1053 N LEU C 16 6.014 -7.523 6.793 1.00 10.00 N ATOM 1054 CA LEU C 16 4.993 -8.562 6.666 1.00 10.00 C ATOM 1055 C LEU C 16 5.456 -9.639 5.681 1.00 10.00 C ATOM 1056 O LEU C 16 5.496 -10.822 6.024 1.00 10.00 O ATOM 1057 CB LEU C 16 3.649 -7.922 6.269 1.00 10.00 C ATOM 1058 CG LEU C 16 2.432 -8.845 6.453 1.00 10.00 C ATOM 1059 CD1 LEU C 16 1.176 -7.992 6.667 1.00 10.00 C ATOM 1060 CD2 LEU C 16 2.203 -9.736 5.224 1.00 10.00 C ATOM 0 H LEU C 16 5.689 -6.601 6.501 1.00 10.00 H new ATOM 0 HA LEU C 16 4.842 -9.059 7.624 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.500 -7.020 6.862 1.00 10.00 H new ATOM 0 HB3 LEU C 16 3.701 -7.612 5.225 1.00 10.00 H new ATOM 0 HG LEU C 16 2.628 -9.482 7.316 1.00 10.00 H new ATOM 0 HD11 LEU C 16 0.312 -8.643 6.798 1.00 10.00 H new ATOM 0 HD12 LEU C 16 1.303 -7.374 7.556 1.00 10.00 H new ATOM 0 HD13 LEU C 16 1.019 -7.351 5.799 1.00 10.00 H new ATOM 0 HD21 LEU C 16 1.335 -10.373 5.393 1.00 10.00 H new ATOM 0 HD22 LEU C 16 2.029 -9.110 4.348 1.00 10.00 H new ATOM 0 HD23 LEU C 16 3.082 -10.358 5.057 1.00 10.00 H new ATOM 1072 N ARG C 17 5.854 -9.224 4.473 1.00 10.00 N ATOM 1073 CA ARG C 17 6.470 -10.125 3.501 1.00 10.00 C ATOM 1074 C ARG C 17 7.653 -10.888 4.115 1.00 10.00 C ATOM 1075 O ARG C 17 7.713 -12.109 4.013 1.00 10.00 O ATOM 1076 CB ARG C 17 6.891 -9.363 2.237 1.00 10.00 C ATOM 1077 CG ARG C 17 5.682 -8.981 1.372 1.00 10.00 C ATOM 1078 CD ARG C 17 6.140 -8.420 0.020 1.00 10.00 C ATOM 1079 NE ARG C 17 6.767 -7.095 0.174 1.00 10.00 N ATOM 1080 CZ ARG C 17 6.213 -5.908 -0.102 1.00 10.00 C ATOM 1081 NH1 ARG C 17 4.989 -5.791 -0.609 1.00 10.00 N ATOM 1082 NH2 ARG C 17 6.881 -4.786 0.141 1.00 10.00 N ATOM 0 H ARG C 17 5.758 -8.262 4.147 1.00 10.00 H new ATOM 0 HA ARG C 17 5.723 -10.864 3.212 1.00 10.00 H new ATOM 0 HB2 ARG C 17 7.435 -8.462 2.520 1.00 10.00 H new ATOM 0 HB3 ARG C 17 7.576 -9.978 1.653 1.00 10.00 H new ATOM 0 HG2 ARG C 17 5.051 -9.855 1.214 1.00 10.00 H new ATOM 0 HG3 ARG C 17 5.075 -8.240 1.893 1.00 10.00 H new ATOM 0 HD2 ARG C 17 6.849 -9.109 -0.440 1.00 10.00 H new ATOM 0 HD3 ARG C 17 5.286 -8.344 -0.653 1.00 10.00 H new ATOM 0 HE ARG C 17 7.723 -7.081 0.528 1.00 10.00 H new ATOM 0 HH11 ARG C 17 4.435 -6.625 -0.802 1.00 10.00 H new ATOM 0 HH12 ARG C 17 4.604 -4.867 -0.805 1.00 10.00 H new ATOM 0 HH21 ARG C 17 7.819 -4.827 0.539 1.00 10.00 H new ATOM 0 HH22 ARG C 17 6.456 -3.883 -0.071 1.00 10.00 H new ATOM 1096 N LYS C 18 8.574 -10.184 4.785 1.00 10.00 N ATOM 1097 CA LYS C 18 9.704 -10.810 5.470 1.00 10.00 C ATOM 1098 C LYS C 18 9.250 -11.871 6.493 1.00 10.00 C ATOM 1099 O LYS C 18 9.643 -13.031 6.398 1.00 10.00 O ATOM 1100 CB LYS C 18 10.587 -9.731 6.114 1.00 10.00 C ATOM 1101 CG LYS C 18 11.987 -10.285 6.398 1.00 10.00 C ATOM 1102 CD LYS C 18 12.777 -9.334 7.306 1.00 10.00 C ATOM 1103 CE LYS C 18 14.250 -9.749 7.397 1.00 10.00 C ATOM 1104 NZ LYS C 18 14.416 -11.104 7.955 1.00 10.00 N ATOM 0 H LYS C 18 8.554 -9.167 4.865 1.00 10.00 H new ATOM 0 HA LYS C 18 10.298 -11.344 4.729 1.00 10.00 H new ATOM 0 HB2 LYS C 18 10.658 -8.868 5.452 1.00 10.00 H new ATOM 0 HB3 LYS C 18 10.131 -9.385 7.042 1.00 10.00 H new ATOM 0 HG2 LYS C 18 11.906 -11.263 6.872 1.00 10.00 H new ATOM 0 HG3 LYS C 18 12.523 -10.428 5.460 1.00 10.00 H new ATOM 0 HD2 LYS C 18 12.706 -8.317 6.921 1.00 10.00 H new ATOM 0 HD3 LYS C 18 12.336 -9.329 8.303 1.00 10.00 H new ATOM 0 HE2 LYS C 18 14.698 -9.710 6.404 1.00 10.00 H new ATOM 0 HE3 LYS C 18 14.789 -9.034 8.019 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 15.429 -11.308 8.076 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 13.939 -11.161 8.877 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 13.998 -11.801 7.306 1.00 10.00 H new ATOM 1118 N CYS C 19 8.394 -11.488 7.449 1.00 10.00 N ATOM 1119 CA CYS C 19 7.804 -12.381 8.449 1.00 10.00 C ATOM 1120 C CYS C 19 7.220 -13.647 7.805 1.00 10.00 C ATOM 1121 O CYS C 19 7.508 -14.761 8.236 1.00 10.00 O ATOM 1122 CB CYS C 19 6.721 -11.633 9.243 1.00 10.00 C ATOM 1123 SG CYS C 19 5.833 -12.684 10.423 1.00 10.00 S ATOM 0 H CYS C 19 8.086 -10.521 7.549 1.00 10.00 H new ATOM 0 HA CYS C 19 8.596 -12.697 9.129 1.00 10.00 H new ATOM 0 HB2 CYS C 19 7.183 -10.806 9.782 1.00 10.00 H new ATOM 0 HB3 CYS C 19 6.005 -11.199 8.545 1.00 10.00 H new ATOM 0 HG CYS C 19 4.942 -11.975 11.050 1.00 10.00 H new ATOM 1278 N ILE D 7 -3.495 8.977 16.760 1.00 10.00 N ATOM 1279 CA ILE D 7 -2.479 8.392 17.640 1.00 10.00 C ATOM 1280 C ILE D 7 -2.718 6.892 17.864 1.00 10.00 C ATOM 1281 O ILE D 7 -1.769 6.114 17.833 1.00 10.00 O ATOM 1282 CB ILE D 7 -2.276 9.177 18.952 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -3.480 9.097 19.905 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -1.869 10.625 18.640 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -3.235 9.817 21.235 1.00 10.00 C ATOM 0 HA ILE D 7 -1.528 8.483 17.115 1.00 10.00 H new ATOM 0 HB ILE D 7 -1.462 8.699 19.496 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -4.353 9.532 19.417 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -3.713 8.050 20.101 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -1.728 11.172 19.572 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -0.938 10.627 18.073 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -2.652 11.105 18.053 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -4.119 9.726 21.866 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -2.381 9.367 21.741 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -3.031 10.871 21.046 1.00 10.00 H new ATOM 1297 N GLU D 8 -3.975 6.470 18.026 1.00 10.00 N ATOM 1298 CA GLU D 8 -4.339 5.058 18.103 1.00 10.00 C ATOM 1299 C GLU D 8 -3.841 4.278 16.871 1.00 10.00 C ATOM 1300 O GLU D 8 -3.117 3.292 17.001 1.00 10.00 O ATOM 1301 CB GLU D 8 -5.858 4.958 18.290 1.00 10.00 C ATOM 1302 CG GLU D 8 -6.322 3.507 18.482 1.00 10.00 C ATOM 1303 CD GLU D 8 -7.827 3.429 18.721 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -8.563 3.481 17.713 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -8.209 3.330 19.907 1.00 10.00 O ATOM 0 H GLU D 8 -4.770 7.103 18.107 1.00 10.00 H new ATOM 0 HA GLU D 8 -3.849 4.594 18.959 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -6.156 5.551 19.155 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -6.359 5.386 17.422 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -6.061 2.921 17.601 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -5.795 3.064 19.327 1.00 10.00 H new ATOM 1312 N ALA D 9 -4.199 4.736 15.668 1.00 10.00 N ATOM 1313 CA ALA D 9 -3.753 4.148 14.408 1.00 10.00 C ATOM 1314 C ALA D 9 -2.222 4.121 14.292 1.00 10.00 C ATOM 1315 O ALA D 9 -1.650 3.124 13.859 1.00 10.00 O ATOM 1316 CB ALA D 9 -4.388 4.910 13.242 1.00 10.00 C ATOM 0 H ALA D 9 -4.816 5.538 15.544 1.00 10.00 H new ATOM 0 HA ALA D 9 -4.079 3.108 14.378 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -4.057 4.474 12.299 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -5.474 4.843 13.312 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -4.086 5.956 13.284 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.546 5.202 14.692 1.00 10.00 N ATOM 1323 CA ARG D 10 -0.088 5.293 14.668 1.00 10.00 C ATOM 1324 C ARG D 10 0.565 4.296 15.639 1.00 10.00 C ATOM 1325 O ARG D 10 1.521 3.602 15.281 1.00 10.00 O ATOM 1326 CB ARG D 10 0.335 6.747 14.934 1.00 10.00 C ATOM 1327 CG ARG D 10 1.730 7.057 14.376 1.00 10.00 C ATOM 1328 CD ARG D 10 2.888 6.679 15.308 1.00 10.00 C ATOM 1329 NE ARG D 10 4.133 6.535 14.538 1.00 10.00 N ATOM 1330 CZ ARG D 10 4.467 5.475 13.791 1.00 10.00 C ATOM 1331 NH1 ARG D 10 3.713 4.378 13.756 1.00 10.00 N ATOM 1332 NH2 ARG D 10 5.577 5.517 13.061 1.00 10.00 N ATOM 0 H ARG D 10 -2.002 6.044 15.044 1.00 10.00 H new ATOM 0 HA ARG D 10 0.271 5.010 13.679 1.00 10.00 H new ATOM 0 HB2 ARG D 10 -0.392 7.423 14.485 1.00 10.00 H new ATOM 0 HB3 ARG D 10 0.325 6.936 16.007 1.00 10.00 H new ATOM 0 HG2 ARG D 10 1.854 6.529 13.431 1.00 10.00 H new ATOM 0 HG3 ARG D 10 1.791 8.123 14.156 1.00 10.00 H new ATOM 0 HD2 ARG D 10 3.012 7.444 16.074 1.00 10.00 H new ATOM 0 HD3 ARG D 10 2.660 5.746 15.823 1.00 10.00 H new ATOM 0 HE ARG D 10 4.798 7.308 14.576 1.00 10.00 H new ATOM 0 HH11 ARG D 10 2.856 4.330 14.307 1.00 10.00 H new ATOM 0 HH12 ARG D 10 3.992 3.586 13.178 1.00 10.00 H new ATOM 0 HH21 ARG D 10 6.164 6.351 13.074 1.00 10.00 H new ATOM 0 HH22 ARG D 10 5.841 4.715 12.488 1.00 10.00 H new ATOM 1346 N LYS D 11 0.054 4.209 16.868 1.00 10.00 N ATOM 1347 CA LYS D 11 0.483 3.222 17.854 1.00 10.00 C ATOM 1348 C LYS D 11 0.228 1.793 17.354 1.00 10.00 C ATOM 1349 O LYS D 11 1.075 0.916 17.522 1.00 10.00 O ATOM 1350 CB LYS D 11 -0.231 3.481 19.187 1.00 10.00 C ATOM 1351 CG LYS D 11 0.298 4.752 19.863 1.00 10.00 C ATOM 1352 CD LYS D 11 -0.598 5.121 21.051 1.00 10.00 C ATOM 1353 CE LYS D 11 -0.072 6.387 21.730 1.00 10.00 C ATOM 1354 NZ LYS D 11 -0.944 6.786 22.850 1.00 10.00 N ATOM 0 H LYS D 11 -0.679 4.831 17.209 1.00 10.00 H new ATOM 0 HA LYS D 11 1.558 3.322 18.008 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -1.303 3.577 19.015 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -0.089 2.628 19.850 1.00 10.00 H new ATOM 0 HG2 LYS D 11 1.322 4.595 20.203 1.00 10.00 H new ATOM 0 HG3 LYS D 11 0.323 5.573 19.146 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -1.621 5.280 20.710 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -0.624 4.299 21.766 1.00 10.00 H new ATOM 0 HE2 LYS D 11 0.940 6.214 22.096 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -0.014 7.197 21.003 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 -0.566 7.647 23.294 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 -1.903 6.972 22.494 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 -0.979 6.020 23.553 1.00 10.00 H new ATOM 1368 N TYR D 12 -0.931 1.535 16.743 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.212 0.249 16.115 1.00 10.00 C ATOM 1370 C TYR D 12 -0.203 -0.064 14.998 1.00 10.00 C ATOM 1371 O TYR D 12 0.419 -1.121 15.016 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.658 0.207 15.612 1.00 10.00 C ATOM 1373 CG TYR D 12 -2.999 -1.097 14.918 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -3.143 -2.276 15.673 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -2.995 -1.165 13.513 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -3.295 -3.514 15.026 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -3.126 -2.405 12.868 1.00 10.00 C ATOM 1378 CZ TYR D 12 -3.280 -3.576 13.623 1.00 10.00 C ATOM 1379 OH TYR D 12 -3.409 -4.775 12.994 1.00 10.00 O ATOM 0 H TYR D 12 -1.694 2.209 16.672 1.00 10.00 H new ATOM 0 HA TYR D 12 -1.098 -0.533 16.865 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.335 0.354 16.453 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -2.822 1.035 14.922 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -3.137 -2.229 16.752 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -2.891 -0.262 12.930 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -3.423 -4.416 15.606 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -3.108 -2.457 11.789 1.00 10.00 H new ATOM 0 HH TYR D 12 -4.358 -4.957 12.829 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.012 0.859 14.049 1.00 10.00 N ATOM 1390 CA LEU D 13 1.011 0.786 13.003 1.00 10.00 C ATOM 1391 C LEU D 13 2.375 0.384 13.588 1.00 10.00 C ATOM 1392 O LEU D 13 2.957 -0.621 13.179 1.00 10.00 O ATOM 1393 CB LEU D 13 1.048 2.137 12.261 1.00 10.00 C ATOM 1394 CG LEU D 13 2.181 2.325 11.240 1.00 10.00 C ATOM 1395 CD1 LEU D 13 2.120 1.276 10.132 1.00 10.00 C ATOM 1396 CD2 LEU D 13 2.075 3.720 10.613 1.00 10.00 C ATOM 0 H LEU D 13 -0.583 1.702 13.987 1.00 10.00 H new ATOM 0 HA LEU D 13 0.761 0.006 12.284 1.00 10.00 H new ATOM 0 HB2 LEU D 13 0.097 2.269 11.745 1.00 10.00 H new ATOM 0 HB3 LEU D 13 1.121 2.932 13.003 1.00 10.00 H new ATOM 0 HG LEU D 13 3.129 2.212 11.766 1.00 10.00 H new ATOM 0 HD11 LEU D 13 2.937 1.441 9.429 1.00 10.00 H new ATOM 0 HD12 LEU D 13 2.212 0.281 10.568 1.00 10.00 H new ATOM 0 HD13 LEU D 13 1.168 1.356 9.607 1.00 10.00 H new ATOM 0 HD21 LEU D 13 2.878 3.855 9.888 1.00 10.00 H new ATOM 0 HD22 LEU D 13 1.113 3.821 10.111 1.00 10.00 H new ATOM 0 HD23 LEU D 13 2.159 4.477 11.393 1.00 10.00 H new ATOM 1408 N GLU D 14 2.861 1.146 14.576 1.00 10.00 N ATOM 1409 CA GLU D 14 4.097 0.846 15.297 1.00 10.00 C ATOM 1410 C GLU D 14 4.102 -0.585 15.865 1.00 10.00 C ATOM 1411 O GLU D 14 4.961 -1.390 15.509 1.00 10.00 O ATOM 1412 CB GLU D 14 4.312 1.921 16.376 1.00 10.00 C ATOM 1413 CG GLU D 14 5.622 1.748 17.166 1.00 10.00 C ATOM 1414 CD GLU D 14 5.529 0.721 18.294 1.00 10.00 C ATOM 1415 OE1 GLU D 14 4.737 0.978 19.227 1.00 10.00 O ATOM 1416 OE2 GLU D 14 6.248 -0.297 18.207 1.00 10.00 O ATOM 0 H GLU D 14 2.399 1.997 14.898 1.00 10.00 H new ATOM 0 HA GLU D 14 4.939 0.876 14.605 1.00 10.00 H new ATOM 0 HB2 GLU D 14 4.309 2.903 15.904 1.00 10.00 H new ATOM 0 HB3 GLU D 14 3.473 1.899 17.071 1.00 10.00 H new ATOM 0 HG2 GLU D 14 6.413 1.449 16.479 1.00 10.00 H new ATOM 0 HG3 GLU D 14 5.912 2.711 17.586 1.00 10.00 H new ATOM 1423 N GLN D 15 3.150 -0.910 16.744 1.00 10.00 N ATOM 1424 CA GLN D 15 3.087 -2.214 17.405 1.00 10.00 C ATOM 1425 C GLN D 15 3.018 -3.378 16.407 1.00 10.00 C ATOM 1426 O GLN D 15 3.728 -4.369 16.561 1.00 10.00 O ATOM 1427 CB GLN D 15 1.888 -2.246 18.358 1.00 10.00 C ATOM 1428 CG GLN D 15 2.140 -1.374 19.596 1.00 10.00 C ATOM 1429 CD GLN D 15 0.863 -1.148 20.389 1.00 10.00 C ATOM 1430 OE1 GLN D 15 0.682 -1.663 21.484 1.00 10.00 O ATOM 1431 NE2 GLN D 15 -0.045 -0.365 19.829 1.00 10.00 N ATOM 0 H GLN D 15 2.400 -0.274 17.017 1.00 10.00 H new ATOM 0 HA GLN D 15 4.010 -2.346 17.970 1.00 10.00 H new ATOM 0 HB2 GLN D 15 0.997 -1.895 17.838 1.00 10.00 H new ATOM 0 HB3 GLN D 15 1.693 -3.273 18.667 1.00 10.00 H new ATOM 0 HG2 GLN D 15 2.885 -1.851 20.233 1.00 10.00 H new ATOM 0 HG3 GLN D 15 2.553 -0.413 19.288 1.00 10.00 H new ATOM 0 HE21 GLN D 15 0.134 0.051 18.915 1.00 10.00 H new ATOM 0 HE22 GLN D 15 -0.924 -0.177 20.312 1.00 10.00 H new ATOM 1440 N LEU D 16 2.174 -3.269 15.379 1.00 10.00 N ATOM 1441 CA LEU D 16 2.021 -4.288 14.346 1.00 10.00 C ATOM 1442 C LEU D 16 3.336 -4.466 13.566 1.00 10.00 C ATOM 1443 O LEU D 16 3.856 -5.578 13.455 1.00 10.00 O ATOM 1444 CB LEU D 16 0.820 -3.908 13.460 1.00 10.00 C ATOM 1445 CG LEU D 16 0.130 -5.054 12.700 1.00 10.00 C ATOM 1446 CD1 LEU D 16 1.055 -5.782 11.725 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -0.513 -6.074 13.648 1.00 10.00 C ATOM 0 H LEU D 16 1.571 -2.458 15.241 1.00 10.00 H new ATOM 0 HA LEU D 16 1.810 -5.263 14.786 1.00 10.00 H new ATOM 0 HB2 LEU D 16 0.075 -3.420 14.088 1.00 10.00 H new ATOM 0 HB3 LEU D 16 1.155 -3.170 12.731 1.00 10.00 H new ATOM 0 HG LEU D 16 -0.651 -4.566 12.116 1.00 10.00 H new ATOM 0 HD11 LEU D 16 0.503 -6.577 11.224 1.00 10.00 H new ATOM 0 HD12 LEU D 16 1.429 -5.077 10.983 1.00 10.00 H new ATOM 0 HD13 LEU D 16 1.894 -6.212 12.272 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -0.987 -6.864 13.065 1.00 10.00 H new ATOM 0 HD22 LEU D 16 0.254 -6.508 14.290 1.00 10.00 H new ATOM 0 HD23 LEU D 16 -1.263 -5.577 14.263 1.00 10.00 H new ATOM 1459 N HIS D 17 3.923 -3.368 13.074 1.00 10.00 N ATOM 1460 CA HIS D 17 5.234 -3.404 12.426 1.00 10.00 C ATOM 1461 C HIS D 17 6.303 -4.046 13.328 1.00 10.00 C ATOM 1462 O HIS D 17 7.089 -4.876 12.863 1.00 10.00 O ATOM 1463 CB HIS D 17 5.630 -1.983 12.005 1.00 10.00 C ATOM 1464 CG HIS D 17 6.870 -1.902 11.149 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.876 -2.842 11.058 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.238 -0.831 10.381 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.831 -2.336 10.261 1.00 10.00 C ATOM 1468 NE2 HIS D 17 8.487 -1.115 9.824 1.00 10.00 N ATOM 0 H HIS D 17 3.505 -2.439 13.114 1.00 10.00 H new ATOM 0 HA HIS D 17 5.167 -4.032 11.538 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.799 -1.535 11.460 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.784 -1.383 12.902 1.00 10.00 H new ATOM 0 HD1 HIS D 17 7.891 -3.755 11.513 1.00 10.00 H new ATOM 0 HD2 HIS D 17 6.665 0.072 10.232 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.750 -2.843 10.007 1.00 10.00 H new ATOM 1476 N ARG D 18 6.344 -3.664 14.608 1.00 10.00 N ATOM 1477 CA ARG D 18 7.248 -4.250 15.592 1.00 10.00 C ATOM 1478 C ARG D 18 7.008 -5.762 15.734 1.00 10.00 C ATOM 1479 O ARG D 18 7.947 -6.547 15.649 1.00 10.00 O ATOM 1480 CB ARG D 18 7.096 -3.526 16.938 1.00 10.00 C ATOM 1481 CG ARG D 18 8.192 -3.971 17.918 1.00 10.00 C ATOM 1482 CD ARG D 18 7.701 -3.988 19.371 1.00 10.00 C ATOM 1483 NE ARG D 18 8.583 -4.829 20.198 1.00 10.00 N ATOM 1484 CZ ARG D 18 8.643 -6.166 20.134 1.00 10.00 C ATOM 1485 NH1 ARG D 18 7.800 -6.867 19.383 1.00 10.00 N ATOM 1486 NH2 ARG D 18 9.568 -6.840 20.807 1.00 10.00 N ATOM 0 H ARG D 18 5.744 -2.933 14.990 1.00 10.00 H new ATOM 0 HA ARG D 18 8.274 -4.121 15.247 1.00 10.00 H new ATOM 0 HB2 ARG D 18 7.153 -2.448 16.786 1.00 10.00 H new ATOM 0 HB3 ARG D 18 6.114 -3.737 17.362 1.00 10.00 H new ATOM 0 HG2 ARG D 18 8.540 -4.967 17.643 1.00 10.00 H new ATOM 0 HG3 ARG D 18 9.047 -3.300 17.833 1.00 10.00 H new ATOM 0 HD2 ARG D 18 7.679 -2.973 19.767 1.00 10.00 H new ATOM 0 HD3 ARG D 18 6.680 -4.368 19.413 1.00 10.00 H new ATOM 0 HE ARG D 18 9.192 -4.360 20.868 1.00 10.00 H new ATOM 0 HH11 ARG D 18 7.084 -6.388 18.836 1.00 10.00 H new ATOM 0 HH12 ARG D 18 7.869 -7.884 19.353 1.00 10.00 H new ATOM 0 HH21 ARG D 18 10.246 -6.340 21.383 1.00 10.00 H new ATOM 0 HH22 ARG D 18 9.601 -7.858 20.748 1.00 10.00 H new ATOM 1500 N LYS D 19 5.758 -6.185 15.943 1.00 10.00 N ATOM 1501 CA LYS D 19 5.384 -7.596 16.023 1.00 10.00 C ATOM 1502 C LYS D 19 5.878 -8.377 14.798 1.00 10.00 C ATOM 1503 O LYS D 19 6.487 -9.436 14.940 1.00 10.00 O ATOM 1504 CB LYS D 19 3.865 -7.713 16.204 1.00 10.00 C ATOM 1505 CG LYS D 19 3.433 -9.171 16.410 1.00 10.00 C ATOM 1506 CD LYS D 19 1.913 -9.242 16.603 1.00 10.00 C ATOM 1507 CE LYS D 19 1.448 -10.677 16.878 1.00 10.00 C ATOM 1508 NZ LYS D 19 1.693 -11.564 15.726 1.00 10.00 N ATOM 0 H LYS D 19 4.970 -5.549 16.062 1.00 10.00 H new ATOM 0 HA LYS D 19 5.870 -8.044 16.890 1.00 10.00 H new ATOM 0 HB2 LYS D 19 3.553 -7.116 17.061 1.00 10.00 H new ATOM 0 HB3 LYS D 19 3.361 -7.303 15.329 1.00 10.00 H new ATOM 0 HG2 LYS D 19 3.728 -9.772 15.550 1.00 10.00 H new ATOM 0 HG3 LYS D 19 3.939 -9.590 17.280 1.00 10.00 H new ATOM 0 HD2 LYS D 19 1.620 -8.598 17.432 1.00 10.00 H new ATOM 0 HD3 LYS D 19 1.414 -8.861 15.712 1.00 10.00 H new ATOM 0 HE2 LYS D 19 1.969 -11.066 17.753 1.00 10.00 H new ATOM 0 HE3 LYS D 19 0.384 -10.675 17.115 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 1.245 -12.487 15.897 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 1.290 -11.137 14.867 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 2.717 -11.694 15.600 1.00 10.00 H new ATOM 1522 N LEU D 20 5.652 -7.851 13.592 1.00 10.00 N ATOM 1523 CA LEU D 20 6.181 -8.464 12.377 1.00 10.00 C ATOM 1524 C LEU D 20 7.716 -8.524 12.387 1.00 10.00 C ATOM 1525 O LEU D 20 8.296 -9.572 12.114 1.00 10.00 O ATOM 1526 CB LEU D 20 5.643 -7.747 11.137 1.00 10.00 C ATOM 1527 CG LEU D 20 4.122 -7.893 10.984 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.669 -6.905 9.910 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.705 -9.320 10.601 1.00 10.00 C ATOM 0 H LEU D 20 5.107 -7.004 13.433 1.00 10.00 H new ATOM 0 HA LEU D 20 5.834 -9.497 12.343 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.899 -6.689 11.194 1.00 10.00 H new ATOM 0 HB3 LEU D 20 6.134 -8.146 10.249 1.00 10.00 H new ATOM 0 HG LEU D 20 3.647 -7.682 11.942 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.590 -6.983 9.776 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.924 -5.891 10.218 1.00 10.00 H new ATOM 0 HD13 LEU D 20 4.169 -7.135 8.969 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.620 -9.369 10.506 1.00 10.00 H new ATOM 0 HD22 LEU D 20 4.165 -9.591 9.651 1.00 10.00 H new ATOM 0 HD23 LEU D 20 4.033 -10.015 11.374 1.00 10.00 H new ATOM 1541 N LYS D 21 8.403 -7.432 12.743 1.00 10.00 N ATOM 1542 CA LYS D 21 9.859 -7.472 12.907 1.00 10.00 C ATOM 1543 C LYS D 21 10.284 -8.576 13.896 1.00 10.00 C ATOM 1544 O LYS D 21 11.238 -9.310 13.647 1.00 10.00 O ATOM 1545 CB LYS D 21 10.378 -6.083 13.309 1.00 10.00 C ATOM 1546 CG LYS D 21 11.899 -6.027 13.518 1.00 10.00 C ATOM 1547 CD LYS D 21 12.682 -6.460 12.271 1.00 10.00 C ATOM 1548 CE LYS D 21 14.181 -6.237 12.490 1.00 10.00 C ATOM 1549 NZ LYS D 21 14.958 -6.693 11.325 1.00 10.00 N ATOM 0 H LYS D 21 7.980 -6.521 12.921 1.00 10.00 H new ATOM 0 HA LYS D 21 10.317 -7.732 11.953 1.00 10.00 H new ATOM 0 HB2 LYS D 21 10.100 -5.364 12.538 1.00 10.00 H new ATOM 0 HB3 LYS D 21 9.882 -5.772 14.229 1.00 10.00 H new ATOM 0 HG2 LYS D 21 12.188 -5.012 13.789 1.00 10.00 H new ATOM 0 HG3 LYS D 21 12.171 -6.670 14.355 1.00 10.00 H new ATOM 0 HD2 LYS D 21 12.490 -7.512 12.058 1.00 10.00 H new ATOM 0 HD3 LYS D 21 12.344 -5.892 11.404 1.00 10.00 H new ATOM 0 HE2 LYS D 21 14.373 -5.179 12.668 1.00 10.00 H new ATOM 0 HE3 LYS D 21 14.506 -6.774 13.381 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 15.971 -6.531 11.498 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 14.791 -7.708 11.172 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 14.662 -6.162 10.481 1.00 10.00 H new ATOM 1563 N ASN D 22 9.532 -8.740 14.989 1.00 10.00 N ATOM 1564 CA ASN D 22 9.731 -9.791 15.985 1.00 10.00 C ATOM 1565 C ASN D 22 9.655 -11.216 15.400 1.00 10.00 C ATOM 1566 O ASN D 22 10.149 -12.145 16.036 1.00 10.00 O ATOM 1567 CB ASN D 22 8.734 -9.601 17.144 1.00 10.00 C ATOM 1568 CG ASN D 22 9.273 -10.021 18.510 1.00 10.00 C ATOM 1569 OD1 ASN D 22 9.123 -9.296 19.489 1.00 10.00 O ATOM 1570 ND2 ASN D 22 9.891 -11.186 18.622 1.00 10.00 N ATOM 0 H ASN D 22 8.747 -8.127 15.209 1.00 10.00 H new ATOM 0 HA ASN D 22 10.749 -9.691 16.362 1.00 10.00 H new ATOM 0 HB2 ASN D 22 8.442 -8.552 17.188 1.00 10.00 H new ATOM 0 HB3 ASN D 22 7.832 -10.174 16.930 1.00 10.00 H new ATOM 0 HD21 ASN D 22 10.248 -11.489 19.528 1.00 10.00 H new ATOM 0 HD22 ASN D 22 10.010 -11.781 17.802 1.00 10.00 H new