USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 794 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 Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.249 K(o=0.25,f=-0.61) USER MOD Single : A 17 TYR OH : rot -177:sc= -0.0253 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 101:sc= 1.11 USER MOD Single : A 25 HIS : no HD1:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 26 ASN : amide:sc=-0.00615 K(o=-0.0062,f=-0.79) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 152:sc= 1.22 (180deg=1.08) USER MOD Single : A 39 HIS : +bothHN:sc= -0.603 K(o=-0.6,f=-5.9!) USER MOD Single : A 45 THR OG1 : rot 73:sc= 1.21 USER MOD Single : B 1 ASP N :NH3+ -174:sc= -0.0109 (180deg=-0.0425) USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0.845 K(o=0.85,f=-0.046) USER MOD Single : B 17 TYR OH : rot 180:sc= -0.0299 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -130:sc= -0.119 USER MOD Single : B 25 HIS : no HD1:sc= 1.08 K(o=1.1,f=-3.2!) USER MOD Single : B 26 ASN : amide:sc= 0.987 K(o=0.99,f=-0.71) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 HIS : +bothHN:sc= 0.489 K(o=0.49,f=-5.8!) USER MOD Single : B 45 THR OG1 : rot 79:sc= 0.0942 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 2 3.128 9.372 -10.024 1.00 0.00 N ATOM 20 CA TYR A 2 2.612 8.266 -9.204 1.00 0.00 C ATOM 21 C TYR A 2 1.814 7.230 -10.006 1.00 0.00 C ATOM 22 O TYR A 2 1.922 6.036 -9.748 1.00 0.00 O ATOM 23 CB TYR A 2 1.770 8.813 -8.039 1.00 0.00 C ATOM 24 CG TYR A 2 0.376 9.318 -8.385 1.00 0.00 C ATOM 25 CD1 TYR A 2 0.187 10.633 -8.858 1.00 0.00 C ATOM 26 CD2 TYR A 2 -0.739 8.472 -8.214 1.00 0.00 C ATOM 27 CE1 TYR A 2 -1.106 11.095 -9.174 1.00 0.00 C ATOM 28 CE2 TYR A 2 -2.035 8.934 -8.519 1.00 0.00 C ATOM 29 CZ TYR A 2 -2.223 10.246 -9.005 1.00 0.00 C ATOM 30 OH TYR A 2 -3.475 10.680 -9.315 1.00 0.00 O ATOM 0 HA TYR A 2 3.483 7.741 -8.812 1.00 0.00 H new ATOM 0 HB2 TYR A 2 1.672 8.026 -7.291 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.322 9.629 -7.573 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.037 11.289 -8.979 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.599 7.466 -7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -1.244 12.100 -9.546 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -2.886 8.283 -8.381 1.00 0.00 H new ATOM 0 HH TYR A 2 -4.122 9.966 -9.138 1.00 0.00 H new ATOM 40 N LEU A 3 1.052 7.676 -11.009 1.00 0.00 N ATOM 41 CA LEU A 3 0.265 6.818 -11.904 1.00 0.00 C ATOM 42 C LEU A 3 1.157 5.894 -12.731 1.00 0.00 C ATOM 43 O LEU A 3 0.936 4.685 -12.751 1.00 0.00 O ATOM 44 CB LEU A 3 -0.576 7.688 -12.852 1.00 0.00 C ATOM 45 CG LEU A 3 -1.669 8.499 -12.142 1.00 0.00 C ATOM 46 CD1 LEU A 3 -2.229 9.537 -13.113 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.799 7.600 -11.631 1.00 0.00 C ATOM 0 H LEU A 3 0.962 8.668 -11.228 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.384 6.200 -11.283 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.085 8.373 -13.383 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.041 7.048 -13.602 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.225 8.992 -11.277 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.006 10.118 -12.616 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.429 10.203 -13.435 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.652 9.032 -13.981 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.553 8.210 -11.134 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.253 7.074 -12.471 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.396 6.875 -10.924 1.00 0.00 H new ATOM 59 N ARG A 4 2.192 6.445 -13.379 1.00 0.00 N ATOM 60 CA ARG A 4 3.184 5.644 -14.106 1.00 0.00 C ATOM 61 C ARG A 4 3.931 4.704 -13.166 1.00 0.00 C ATOM 62 O ARG A 4 4.153 3.567 -13.549 1.00 0.00 O ATOM 63 CB ARG A 4 4.120 6.547 -14.928 1.00 0.00 C ATOM 64 CG ARG A 4 5.220 5.750 -15.651 1.00 0.00 C ATOM 65 CD ARG A 4 5.913 6.603 -16.721 1.00 0.00 C ATOM 66 NE ARG A 4 7.228 6.046 -17.098 1.00 0.00 N ATOM 67 CZ ARG A 4 7.932 6.336 -18.178 1.00 0.00 C ATOM 68 NH1 ARG A 4 7.466 7.093 -19.132 1.00 0.00 N ATOM 69 NH2 ARG A 4 9.140 5.871 -18.321 1.00 0.00 N ATOM 0 H ARG A 4 2.364 7.450 -13.414 1.00 0.00 H new ATOM 0 HA ARG A 4 2.662 5.006 -14.819 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.534 7.100 -15.662 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.582 7.282 -14.269 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.956 5.403 -14.926 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.786 4.864 -16.114 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.278 6.665 -17.604 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.042 7.619 -16.349 1.00 0.00 H new ATOM 0 HE ARG A 4 7.636 5.366 -16.457 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.527 7.484 -19.060 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.041 7.294 -19.950 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.548 5.279 -17.597 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.678 6.098 -19.157 1.00 0.00 H new ATOM 83 N GLU A 5 4.251 5.108 -11.937 1.00 0.00 N ATOM 84 CA GLU A 5 4.840 4.201 -10.934 1.00 0.00 C ATOM 85 C GLU A 5 3.892 3.048 -10.529 1.00 0.00 C ATOM 86 O GLU A 5 4.331 1.907 -10.370 1.00 0.00 O ATOM 87 CB GLU A 5 5.296 5.021 -9.719 1.00 0.00 C ATOM 88 CG GLU A 5 6.096 4.187 -8.712 1.00 0.00 C ATOM 89 CD GLU A 5 6.687 5.078 -7.603 1.00 0.00 C ATOM 90 OE1 GLU A 5 5.986 5.348 -6.596 1.00 0.00 O ATOM 91 OE2 GLU A 5 7.861 5.505 -7.724 1.00 0.00 O ATOM 0 H GLU A 5 4.114 6.062 -11.604 1.00 0.00 H new ATOM 0 HA GLU A 5 5.704 3.713 -11.385 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.906 5.858 -10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.423 5.444 -9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.451 3.428 -8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.899 3.661 -9.227 1.00 0.00 H new ATOM 98 N LEU A 6 2.589 3.325 -10.408 1.00 0.00 N ATOM 99 CA LEU A 6 1.519 2.357 -10.132 1.00 0.00 C ATOM 100 C LEU A 6 1.348 1.337 -11.272 1.00 0.00 C ATOM 101 O LEU A 6 1.477 0.128 -11.062 1.00 0.00 O ATOM 102 CB LEU A 6 0.217 3.155 -9.865 1.00 0.00 C ATOM 103 CG LEU A 6 -0.204 3.168 -8.389 1.00 0.00 C ATOM 104 CD1 LEU A 6 0.871 3.669 -7.419 1.00 0.00 C ATOM 105 CD2 LEU A 6 -1.422 4.073 -8.189 1.00 0.00 C ATOM 0 H LEU A 6 2.234 4.276 -10.504 1.00 0.00 H new ATOM 0 HA LEU A 6 1.777 1.764 -9.255 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.354 4.182 -10.204 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.590 2.728 -10.461 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.411 2.122 -8.162 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.483 3.642 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.751 3.029 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.145 4.692 -7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.708 4.071 -7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.175 5.089 -8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.252 3.704 -8.791 1.00 0.00 H new ATOM 117 N LEU A 7 1.088 1.827 -12.486 1.00 0.00 N ATOM 118 CA LEU A 7 0.984 1.020 -13.705 1.00 0.00 C ATOM 119 C LEU A 7 2.273 0.263 -14.053 1.00 0.00 C ATOM 120 O LEU A 7 2.180 -0.918 -14.402 1.00 0.00 O ATOM 121 CB LEU A 7 0.526 1.876 -14.900 1.00 0.00 C ATOM 122 CG LEU A 7 -1.008 2.041 -14.967 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.417 3.507 -14.866 1.00 0.00 C ATOM 124 CD2 LEU A 7 -1.561 1.490 -16.282 1.00 0.00 C ATOM 0 H LEU A 7 0.940 2.822 -12.653 1.00 0.00 H new ATOM 0 HA LEU A 7 0.228 0.264 -13.494 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.990 2.860 -14.835 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.878 1.418 -15.825 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.417 1.485 -14.123 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.503 3.586 -14.917 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.067 3.918 -13.919 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.974 4.066 -15.690 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.643 1.618 -16.304 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.115 2.028 -17.118 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.320 0.430 -16.362 1.00 0.00 H new ATOM 136 N LYS A 8 3.466 0.877 -13.931 1.00 0.00 N ATOM 137 CA LYS A 8 4.770 0.196 -14.024 1.00 0.00 C ATOM 138 C LYS A 8 5.057 -0.754 -12.849 1.00 0.00 C ATOM 139 O LYS A 8 5.997 -0.589 -12.067 1.00 0.00 O ATOM 140 CB LYS A 8 5.866 1.243 -14.230 1.00 0.00 C ATOM 141 CG LYS A 8 7.174 0.608 -14.693 1.00 0.00 C ATOM 142 CD LYS A 8 8.161 1.715 -15.051 1.00 0.00 C ATOM 143 CE LYS A 8 9.423 1.074 -15.613 1.00 0.00 C ATOM 144 NZ LYS A 8 10.335 0.575 -14.547 1.00 0.00 N ATOM 0 H LYS A 8 3.551 1.879 -13.762 1.00 0.00 H new ATOM 0 HA LYS A 8 4.747 -0.465 -14.890 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.536 1.975 -14.967 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.033 1.783 -13.298 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.586 -0.024 -13.906 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.997 -0.033 -15.557 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.722 2.392 -15.784 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.399 2.310 -14.169 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.146 0.246 -16.266 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.953 1.801 -16.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.178 0.148 -14.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.623 1.367 -13.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.842 -0.140 -13.975 1.00 0.00 H new ATOM 158 N GLY A 9 4.228 -1.782 -12.751 1.00 0.00 N ATOM 159 CA GLY A 9 4.461 -2.949 -11.920 1.00 0.00 C ATOM 160 C GLY A 9 3.290 -3.881 -11.696 1.00 0.00 C ATOM 161 O GLY A 9 3.487 -5.087 -11.559 1.00 0.00 O ATOM 0 H GLY A 9 3.348 -1.827 -13.264 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.272 -3.525 -12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.812 -2.606 -10.946 1.00 0.00 H new ATOM 165 N GLU A 10 2.065 -3.364 -11.721 1.00 0.00 N ATOM 166 CA GLU A 10 0.881 -4.232 -11.632 1.00 0.00 C ATOM 167 C GLU A 10 0.817 -5.216 -12.813 1.00 0.00 C ATOM 168 O GLU A 10 0.453 -6.378 -12.615 1.00 0.00 O ATOM 169 CB GLU A 10 -0.395 -3.384 -11.557 1.00 0.00 C ATOM 170 CG GLU A 10 -0.556 -2.552 -10.272 1.00 0.00 C ATOM 171 CD GLU A 10 -1.338 -3.305 -9.197 1.00 0.00 C ATOM 172 OE1 GLU A 10 -0.908 -4.209 -8.453 1.00 0.00 O ATOM 173 OE2 GLU A 10 -2.554 -3.183 -8.944 1.00 0.00 O ATOM 0 H GLU A 10 1.861 -2.368 -11.800 1.00 0.00 H new ATOM 0 HA GLU A 10 0.961 -4.822 -10.719 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.414 -2.709 -12.412 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.257 -4.044 -11.653 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.428 -2.287 -9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.068 -1.619 -10.506 1.00 0.00 H new ATOM 180 N LEU A 11 1.254 -4.813 -14.020 1.00 0.00 N ATOM 181 CA LEU A 11 1.295 -5.722 -15.182 1.00 0.00 C ATOM 182 C LEU A 11 2.300 -6.882 -15.009 1.00 0.00 C ATOM 183 O LEU A 11 2.064 -7.996 -15.477 1.00 0.00 O ATOM 184 CB LEU A 11 1.458 -4.859 -16.460 1.00 0.00 C ATOM 185 CG LEU A 11 2.658 -5.171 -17.373 1.00 0.00 C ATOM 186 CD1 LEU A 11 2.357 -6.285 -18.380 1.00 0.00 C ATOM 187 CD2 LEU A 11 3.065 -3.928 -18.164 1.00 0.00 C ATOM 0 H LEU A 11 1.583 -3.868 -14.217 1.00 0.00 H new ATOM 0 HA LEU A 11 0.355 -6.266 -15.279 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.548 -4.958 -17.052 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.528 -3.815 -16.156 1.00 0.00 H new ATOM 0 HG LEU A 11 3.462 -5.498 -16.714 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.237 -6.464 -18.998 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.097 -7.198 -17.845 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.523 -5.986 -19.015 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.914 -4.166 -18.804 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.228 -3.598 -18.779 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.343 -3.132 -17.473 1.00 0.00 H new ATOM 199 N GLN A 12 3.380 -6.645 -14.265 1.00 0.00 N ATOM 200 CA GLN A 12 4.423 -7.621 -13.954 1.00 0.00 C ATOM 201 C GLN A 12 3.902 -8.757 -13.054 1.00 0.00 C ATOM 202 O GLN A 12 4.440 -9.864 -13.076 1.00 0.00 O ATOM 203 CB GLN A 12 5.616 -6.885 -13.316 1.00 0.00 C ATOM 204 CG GLN A 12 6.940 -7.662 -13.409 1.00 0.00 C ATOM 205 CD GLN A 12 8.126 -6.847 -12.878 1.00 0.00 C ATOM 206 OE1 GLN A 12 8.041 -6.113 -11.900 1.00 0.00 O ATOM 207 NE2 GLN A 12 9.275 -6.903 -13.524 1.00 0.00 N ATOM 0 H GLN A 12 3.559 -5.732 -13.846 1.00 0.00 H new ATOM 0 HA GLN A 12 4.749 -8.100 -14.877 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.737 -5.917 -13.803 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.392 -6.689 -12.267 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.856 -8.590 -12.843 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.126 -7.938 -14.447 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.372 -7.506 -14.341 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.066 -6.343 -13.206 1.00 0.00 H new ATOM 216 N GLY A 13 2.815 -8.508 -12.310 1.00 0.00 N ATOM 217 CA GLY A 13 2.149 -9.506 -11.476 1.00 0.00 C ATOM 218 C GLY A 13 1.189 -10.375 -12.285 1.00 0.00 C ATOM 219 O GLY A 13 1.187 -11.593 -12.101 1.00 0.00 O ATOM 0 H GLY A 13 2.370 -7.591 -12.274 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.898 -10.139 -10.999 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.601 -9.005 -10.678 1.00 0.00 H new ATOM 223 N ILE A 14 0.438 -9.791 -13.234 1.00 0.00 N ATOM 224 CA ILE A 14 -0.549 -10.544 -14.043 1.00 0.00 C ATOM 225 C ILE A 14 0.103 -11.742 -14.741 1.00 0.00 C ATOM 226 O ILE A 14 -0.409 -12.864 -14.685 1.00 0.00 O ATOM 227 CB ILE A 14 -1.242 -9.634 -15.085 1.00 0.00 C ATOM 228 CG1 ILE A 14 -1.946 -8.406 -14.471 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.244 -10.426 -15.946 1.00 0.00 C ATOM 230 CD1 ILE A 14 -3.059 -8.727 -13.468 1.00 0.00 C ATOM 0 H ILE A 14 0.492 -8.799 -13.464 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.309 -10.915 -13.355 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.434 -9.258 -15.713 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.198 -7.789 -13.974 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.368 -7.807 -15.278 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.713 -9.757 -16.667 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.719 -11.221 -16.476 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.010 -10.862 -15.305 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.491 -7.799 -13.094 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.834 -9.315 -13.960 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.645 -9.296 -12.635 1.00 0.00 H new ATOM 242 N LYS A 15 1.268 -11.512 -15.359 1.00 0.00 N ATOM 243 CA LYS A 15 1.988 -12.536 -16.121 1.00 0.00 C ATOM 244 C LYS A 15 2.638 -13.613 -15.249 1.00 0.00 C ATOM 245 O LYS A 15 2.812 -14.740 -15.712 1.00 0.00 O ATOM 246 CB LYS A 15 2.996 -11.881 -17.082 1.00 0.00 C ATOM 247 CG LYS A 15 2.262 -11.321 -18.315 1.00 0.00 C ATOM 248 CD LYS A 15 3.162 -10.526 -19.272 1.00 0.00 C ATOM 249 CE LYS A 15 4.323 -11.364 -19.829 1.00 0.00 C ATOM 250 NZ LYS A 15 5.110 -10.600 -20.832 1.00 0.00 N ATOM 0 H LYS A 15 1.738 -10.607 -15.344 1.00 0.00 H new ATOM 0 HA LYS A 15 1.242 -13.069 -16.711 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.530 -11.079 -16.571 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.742 -12.612 -17.394 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.809 -12.148 -18.862 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.449 -10.678 -17.979 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.561 -10.149 -20.100 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.564 -9.658 -18.749 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.975 -11.674 -19.012 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.931 -12.272 -20.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.886 -11.193 -21.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.492 -10.326 -21.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.503 -9.746 -20.387 1.00 0.00 H new ATOM 264 N GLN A 16 2.949 -13.308 -13.986 1.00 0.00 N ATOM 265 CA GLN A 16 3.519 -14.266 -13.051 1.00 0.00 C ATOM 266 C GLN A 16 2.462 -15.161 -12.392 1.00 0.00 C ATOM 267 O GLN A 16 2.669 -16.367 -12.249 1.00 0.00 O ATOM 268 CB GLN A 16 4.330 -13.517 -11.993 1.00 0.00 C ATOM 269 CG GLN A 16 5.698 -13.120 -12.558 1.00 0.00 C ATOM 270 CD GLN A 16 6.718 -12.825 -11.467 1.00 0.00 C ATOM 271 OE1 GLN A 16 6.500 -12.050 -10.546 1.00 0.00 O ATOM 272 NE2 GLN A 16 7.875 -13.446 -11.537 1.00 0.00 N ATOM 0 H GLN A 16 2.809 -12.380 -13.586 1.00 0.00 H new ATOM 0 HA GLN A 16 4.169 -14.933 -13.617 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.789 -12.627 -11.672 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.461 -14.146 -11.112 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.072 -13.923 -13.193 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.584 -12.240 -13.191 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.061 -14.093 -12.303 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.586 -13.281 -10.825 1.00 0.00 H new ATOM 281 N TYR A 17 1.299 -14.602 -12.049 1.00 0.00 N ATOM 282 CA TYR A 17 0.170 -15.352 -11.494 1.00 0.00 C ATOM 283 C TYR A 17 -0.345 -16.439 -12.440 1.00 0.00 C ATOM 284 O TYR A 17 -0.710 -17.530 -11.992 1.00 0.00 O ATOM 285 CB TYR A 17 -0.974 -14.382 -11.162 1.00 0.00 C ATOM 286 CG TYR A 17 -0.808 -13.584 -9.877 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.609 -14.238 -8.643 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.909 -12.180 -9.908 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.486 -13.489 -7.456 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.765 -11.427 -8.728 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.550 -12.080 -7.497 1.00 0.00 C ATOM 292 OH TYR A 17 -0.453 -11.360 -6.347 1.00 0.00 O ATOM 0 H TYR A 17 1.113 -13.604 -12.150 1.00 0.00 H new ATOM 0 HA TYR A 17 0.528 -15.851 -10.594 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.085 -13.683 -11.991 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.902 -14.951 -11.098 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.551 -15.316 -8.608 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.098 -11.677 -10.845 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.342 -13.995 -6.512 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.819 -10.349 -8.765 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.563 -10.407 -6.547 1.00 0.00 H new ATOM 302 N ARG A 18 -0.343 -16.170 -13.751 1.00 0.00 N ATOM 303 CA ARG A 18 -0.804 -17.134 -14.761 1.00 0.00 C ATOM 304 C ARG A 18 0.096 -18.377 -14.845 1.00 0.00 C ATOM 305 O ARG A 18 -0.390 -19.472 -15.127 1.00 0.00 O ATOM 306 CB ARG A 18 -0.974 -16.427 -16.119 1.00 0.00 C ATOM 307 CG ARG A 18 -2.352 -16.663 -16.766 1.00 0.00 C ATOM 308 CD ARG A 18 -2.493 -18.018 -17.476 1.00 0.00 C ATOM 309 NE ARG A 18 -1.757 -18.043 -18.757 1.00 0.00 N ATOM 310 CZ ARG A 18 -1.649 -19.064 -19.590 1.00 0.00 C ATOM 311 NH1 ARG A 18 -2.144 -20.239 -19.317 1.00 0.00 N ATOM 312 NH2 ARG A 18 -1.041 -18.919 -20.732 1.00 0.00 N ATOM 0 H ARG A 18 -0.024 -15.283 -14.142 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.779 -17.512 -14.453 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.824 -15.356 -15.983 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.197 -16.774 -16.800 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.120 -16.588 -15.996 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.544 -15.867 -17.486 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.120 -18.810 -16.826 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.547 -18.225 -17.658 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.282 -17.182 -19.027 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.634 -20.394 -18.436 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.041 -21.003 -19.984 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.645 -18.014 -20.988 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.960 -19.710 -21.371 1.00 0.00 H new ATOM 326 N GLU A 19 1.387 -18.229 -14.544 1.00 0.00 N ATOM 327 CA GLU A 19 2.348 -19.340 -14.450 1.00 0.00 C ATOM 328 C GLU A 19 2.109 -20.236 -13.225 1.00 0.00 C ATOM 329 O GLU A 19 2.313 -21.449 -13.283 1.00 0.00 O ATOM 330 CB GLU A 19 3.764 -18.755 -14.352 1.00 0.00 C ATOM 331 CG GLU A 19 4.846 -19.773 -14.740 1.00 0.00 C ATOM 332 CD GLU A 19 6.257 -19.158 -14.642 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.662 -18.407 -15.563 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.979 -19.438 -13.654 1.00 0.00 O ATOM 0 H GLU A 19 1.806 -17.319 -14.354 1.00 0.00 H new ATOM 0 HA GLU A 19 2.221 -19.957 -15.340 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.840 -17.883 -15.002 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.942 -18.410 -13.333 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.780 -20.643 -14.087 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.670 -20.124 -15.757 1.00 0.00 H new ATOM 341 N ALA A 20 1.688 -19.640 -12.105 1.00 0.00 N ATOM 342 CA ALA A 20 1.581 -20.339 -10.822 1.00 0.00 C ATOM 343 C ALA A 20 0.487 -21.399 -10.820 1.00 0.00 C ATOM 344 O ALA A 20 0.793 -22.539 -10.488 1.00 0.00 O ATOM 345 CB ALA A 20 1.407 -19.304 -9.706 1.00 0.00 C ATOM 0 H ALA A 20 1.412 -18.659 -12.063 1.00 0.00 H new ATOM 0 HA ALA A 20 2.502 -20.894 -10.645 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.326 -19.814 -8.746 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.269 -18.637 -9.691 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.502 -18.724 -9.886 1.00 0.00 H new ATOM 351 N LEU A 21 -0.738 -21.089 -11.255 1.00 0.00 N ATOM 352 CA LEU A 21 -1.868 -22.036 -11.283 1.00 0.00 C ATOM 353 C LEU A 21 -1.485 -23.354 -11.964 1.00 0.00 C ATOM 354 O LEU A 21 -1.868 -24.410 -11.472 1.00 0.00 O ATOM 355 CB LEU A 21 -3.079 -21.337 -11.934 1.00 0.00 C ATOM 356 CG LEU A 21 -4.491 -21.957 -11.887 1.00 0.00 C ATOM 357 CD1 LEU A 21 -4.638 -23.284 -12.631 1.00 0.00 C ATOM 358 CD2 LEU A 21 -5.006 -22.102 -10.458 1.00 0.00 C ATOM 0 H LEU A 21 -0.981 -20.162 -11.603 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.145 -22.318 -10.267 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.153 -20.347 -11.483 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.832 -21.191 -12.986 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.108 -21.237 -12.425 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.664 -23.640 -12.541 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.395 -23.140 -13.684 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.959 -24.020 -12.200 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.003 -22.543 -10.473 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.333 -22.747 -9.892 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.050 -21.121 -9.986 1.00 0.00 H new ATOM 370 N GLU A 22 -0.623 -23.331 -12.983 1.00 0.00 N ATOM 371 CA GLU A 22 -0.159 -24.567 -13.643 1.00 0.00 C ATOM 372 C GLU A 22 0.545 -25.574 -12.717 1.00 0.00 C ATOM 373 O GLU A 22 0.435 -26.783 -12.936 1.00 0.00 O ATOM 374 CB GLU A 22 0.772 -24.229 -14.818 1.00 0.00 C ATOM 375 CG GLU A 22 0.059 -24.359 -16.167 1.00 0.00 C ATOM 376 CD GLU A 22 1.038 -24.117 -17.332 1.00 0.00 C ATOM 377 OE1 GLU A 22 1.698 -25.083 -17.786 1.00 0.00 O ATOM 378 OE2 GLU A 22 1.148 -22.962 -17.813 1.00 0.00 O ATOM 0 H GLU A 22 -0.229 -22.475 -13.373 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.069 -25.057 -13.989 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.148 -23.212 -14.703 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.636 -24.893 -14.799 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.380 -25.353 -16.256 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.760 -23.642 -16.220 1.00 0.00 H new ATOM 385 N TYR A 23 1.216 -25.097 -11.668 1.00 0.00 N ATOM 386 CA TYR A 23 1.928 -25.937 -10.687 1.00 0.00 C ATOM 387 C TYR A 23 1.102 -26.234 -9.427 1.00 0.00 C ATOM 388 O TYR A 23 1.506 -27.029 -8.574 1.00 0.00 O ATOM 389 CB TYR A 23 3.244 -25.239 -10.316 1.00 0.00 C ATOM 390 CG TYR A 23 4.280 -25.408 -11.399 1.00 0.00 C ATOM 391 CD1 TYR A 23 4.282 -24.552 -12.515 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.172 -26.493 -11.327 1.00 0.00 C ATOM 393 CE1 TYR A 23 5.163 -24.801 -13.586 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.060 -26.741 -12.391 1.00 0.00 C ATOM 395 CZ TYR A 23 6.048 -25.903 -13.529 1.00 0.00 C ATOM 396 OH TYR A 23 6.883 -26.174 -14.570 1.00 0.00 O ATOM 0 H TYR A 23 1.285 -24.099 -11.467 1.00 0.00 H new ATOM 0 HA TYR A 23 2.118 -26.905 -11.150 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.060 -24.178 -10.148 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.624 -25.648 -9.380 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.611 -23.707 -12.551 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.176 -27.134 -10.458 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.163 -24.152 -14.449 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.749 -27.571 -12.338 1.00 0.00 H new ATOM 0 HH TYR A 23 7.421 -26.966 -14.360 1.00 0.00 H new ATOM 406 N THR A 24 -0.043 -25.565 -9.299 1.00 0.00 N ATOM 407 CA THR A 24 -0.502 -25.085 -7.985 1.00 0.00 C ATOM 408 C THR A 24 -2.018 -25.192 -7.802 1.00 0.00 C ATOM 409 O THR A 24 -2.475 -25.420 -6.686 1.00 0.00 O ATOM 410 CB THR A 24 -0.026 -23.632 -7.889 1.00 0.00 C ATOM 411 OG1 THR A 24 1.364 -23.543 -8.105 1.00 0.00 O ATOM 412 CG2 THR A 24 -0.201 -22.882 -6.604 1.00 0.00 C ATOM 0 H THR A 24 -0.667 -25.342 -10.075 1.00 0.00 H new ATOM 0 HA THR A 24 -0.090 -25.704 -7.189 1.00 0.00 H new ATOM 0 HB THR A 24 -0.678 -23.183 -8.638 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.534 -23.246 -9.023 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.191 -21.871 -6.716 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.260 -22.834 -6.352 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.339 -23.394 -5.807 1.00 0.00 H new ATOM 420 N HIS A 25 -2.784 -25.103 -8.899 1.00 0.00 N ATOM 421 CA HIS A 25 -4.219 -25.408 -9.059 1.00 0.00 C ATOM 422 C HIS A 25 -5.145 -25.032 -7.873 1.00 0.00 C ATOM 423 O HIS A 25 -6.087 -25.763 -7.555 1.00 0.00 O ATOM 424 CB HIS A 25 -4.354 -26.875 -9.521 1.00 0.00 C ATOM 425 CG HIS A 25 -3.911 -27.092 -10.951 1.00 0.00 C ATOM 426 ND1 HIS A 25 -4.744 -27.106 -12.057 1.00 0.00 N ATOM 427 CD2 HIS A 25 -2.629 -27.257 -11.401 1.00 0.00 C ATOM 428 CE1 HIS A 25 -3.979 -27.272 -13.155 1.00 0.00 C ATOM 429 NE2 HIS A 25 -2.690 -27.377 -12.777 1.00 0.00 N ATOM 0 H HIS A 25 -2.380 -24.786 -9.780 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.604 -24.737 -9.827 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.763 -27.512 -8.863 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.393 -27.188 -9.418 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.736 -27.288 -10.794 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.341 -27.314 -14.172 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -1.895 -27.521 -13.400 1.00 0.00 H new ATOM 438 N ASN A 26 -4.892 -23.896 -7.212 1.00 0.00 N ATOM 439 CA ASN A 26 -5.624 -23.451 -6.016 1.00 0.00 C ATOM 440 C ASN A 26 -6.614 -22.304 -6.321 1.00 0.00 C ATOM 441 O ASN A 26 -6.318 -21.448 -7.162 1.00 0.00 O ATOM 442 CB ASN A 26 -4.600 -23.086 -4.916 1.00 0.00 C ATOM 443 CG ASN A 26 -4.283 -24.264 -4.001 1.00 0.00 C ATOM 444 OD1 ASN A 26 -5.166 -24.906 -3.450 1.00 0.00 O ATOM 445 ND2 ASN A 26 -3.028 -24.571 -3.780 1.00 0.00 N ATOM 0 H ASN A 26 -4.159 -23.247 -7.498 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.251 -24.267 -5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.680 -22.734 -5.383 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.990 -22.261 -4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.794 -25.340 -3.152 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.285 -24.041 -4.236 1.00 0.00 H new ATOM 452 N PRO A 27 -7.758 -22.224 -5.605 1.00 0.00 N ATOM 453 CA PRO A 27 -8.804 -21.214 -5.835 1.00 0.00 C ATOM 454 C PRO A 27 -8.373 -19.786 -5.460 1.00 0.00 C ATOM 455 O PRO A 27 -9.084 -18.823 -5.745 1.00 0.00 O ATOM 456 CB PRO A 27 -9.999 -21.670 -4.986 1.00 0.00 C ATOM 457 CG PRO A 27 -9.346 -22.420 -3.828 1.00 0.00 C ATOM 458 CD PRO A 27 -8.153 -23.096 -4.500 1.00 0.00 C ATOM 0 HA PRO A 27 -9.041 -21.153 -6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.588 -20.823 -4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.672 -22.313 -5.553 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.034 -21.744 -3.032 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.025 -23.146 -3.381 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.332 -23.227 -3.795 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.422 -24.088 -4.864 1.00 0.00 H new ATOM 466 N VAL A 28 -7.206 -19.637 -4.827 1.00 0.00 N ATOM 467 CA VAL A 28 -6.653 -18.349 -4.399 1.00 0.00 C ATOM 468 C VAL A 28 -6.276 -17.470 -5.589 1.00 0.00 C ATOM 469 O VAL A 28 -6.539 -16.272 -5.588 1.00 0.00 O ATOM 470 CB VAL A 28 -5.471 -18.609 -3.442 1.00 0.00 C ATOM 471 CG1 VAL A 28 -4.121 -18.857 -4.131 1.00 0.00 C ATOM 472 CG2 VAL A 28 -5.362 -17.469 -2.441 1.00 0.00 C ATOM 0 H VAL A 28 -6.605 -20.427 -4.592 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.414 -17.785 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.700 -19.546 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.354 -19.029 -3.376 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.198 -19.731 -4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.852 -17.986 -4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.526 -17.656 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.197 -16.532 -2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.285 -17.401 -1.865 1.00 0.00 H new ATOM 482 N LEU A 29 -5.722 -18.058 -6.650 1.00 0.00 N ATOM 483 CA LEU A 29 -5.280 -17.342 -7.850 1.00 0.00 C ATOM 484 C LEU A 29 -6.484 -16.799 -8.639 1.00 0.00 C ATOM 485 O LEU A 29 -6.452 -15.667 -9.123 1.00 0.00 O ATOM 486 CB LEU A 29 -4.422 -18.315 -8.670 1.00 0.00 C ATOM 487 CG LEU A 29 -3.098 -18.680 -7.966 1.00 0.00 C ATOM 488 CD1 LEU A 29 -2.769 -20.164 -8.094 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.959 -17.860 -8.559 1.00 0.00 C ATOM 0 H LEU A 29 -5.564 -19.064 -6.702 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.683 -16.468 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.992 -19.225 -8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.202 -17.870 -9.640 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.218 -18.454 -6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.829 -20.374 -7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.567 -20.754 -7.642 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.676 -20.426 -9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.025 -18.120 -8.060 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.873 -18.074 -9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.163 -16.799 -8.418 1.00 0.00 H new ATOM 501 N ALA A 30 -7.591 -17.551 -8.633 1.00 0.00 N ATOM 502 CA ALA A 30 -8.921 -17.142 -9.098 1.00 0.00 C ATOM 503 C ALA A 30 -9.601 -16.056 -8.222 1.00 0.00 C ATOM 504 O ALA A 30 -10.775 -15.741 -8.430 1.00 0.00 O ATOM 505 CB ALA A 30 -9.784 -18.407 -9.221 1.00 0.00 C ATOM 0 H ALA A 30 -7.583 -18.510 -8.286 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.808 -16.655 -10.067 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.782 -18.135 -9.566 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.327 -19.091 -9.936 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.857 -18.894 -8.249 1.00 0.00 H new ATOM 511 N LYS A 31 -8.867 -15.463 -7.269 1.00 0.00 N ATOM 512 CA LYS A 31 -9.247 -14.294 -6.473 1.00 0.00 C ATOM 513 C LYS A 31 -8.168 -13.207 -6.502 1.00 0.00 C ATOM 514 O LYS A 31 -8.488 -12.047 -6.739 1.00 0.00 O ATOM 515 CB LYS A 31 -9.576 -14.734 -5.030 1.00 0.00 C ATOM 516 CG LYS A 31 -10.795 -14.000 -4.448 1.00 0.00 C ATOM 517 CD LYS A 31 -12.139 -14.560 -4.943 1.00 0.00 C ATOM 518 CE LYS A 31 -12.464 -15.898 -4.262 1.00 0.00 C ATOM 519 NZ LYS A 31 -13.739 -16.478 -4.758 1.00 0.00 N ATOM 0 H LYS A 31 -7.940 -15.809 -7.022 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.139 -13.850 -6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.763 -15.808 -5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.710 -14.553 -4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.762 -14.063 -3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.732 -12.943 -4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.933 -13.842 -4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.104 -14.697 -6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.651 -16.602 -4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.528 -15.750 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -13.922 -17.380 -4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.519 -15.817 -4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.670 -16.643 -5.782 1.00 0.00 H new ATOM 533 N ILE A 32 -6.892 -13.576 -6.352 1.00 0.00 N ATOM 534 CA ILE A 32 -5.778 -12.617 -6.308 1.00 0.00 C ATOM 535 C ILE A 32 -5.600 -11.910 -7.653 1.00 0.00 C ATOM 536 O ILE A 32 -5.810 -10.700 -7.737 1.00 0.00 O ATOM 537 CB ILE A 32 -4.449 -13.260 -5.859 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.482 -13.972 -4.489 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.395 -12.150 -5.749 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.419 -15.077 -4.459 1.00 0.00 C ATOM 0 H ILE A 32 -6.600 -14.549 -6.257 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.046 -11.877 -5.554 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.229 -14.021 -6.608 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.298 -13.254 -3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.470 -14.398 -4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.445 -12.580 -5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.270 -11.669 -6.719 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.720 -11.411 -5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.443 -15.579 -3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.624 -15.800 -5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.434 -14.638 -4.616 1.00 0.00 H new ATOM 552 N LEU A 33 -5.245 -12.643 -8.715 1.00 0.00 N ATOM 553 CA LEU A 33 -5.018 -12.033 -10.026 1.00 0.00 C ATOM 554 C LEU A 33 -6.354 -11.601 -10.651 1.00 0.00 C ATOM 555 O LEU A 33 -6.387 -10.693 -11.475 1.00 0.00 O ATOM 556 CB LEU A 33 -4.149 -12.962 -10.903 1.00 0.00 C ATOM 557 CG LEU A 33 -4.909 -13.853 -11.903 1.00 0.00 C ATOM 558 CD1 LEU A 33 -4.796 -13.337 -13.337 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.483 -15.324 -11.899 1.00 0.00 C ATOM 0 H LEU A 33 -5.110 -13.654 -8.691 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.441 -11.113 -9.928 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.442 -12.347 -11.460 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.563 -13.605 -10.246 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.940 -13.799 -11.554 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.348 -13.998 -14.006 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.212 -12.331 -13.396 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.747 -13.314 -13.634 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.071 -15.875 -12.633 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.425 -15.397 -12.152 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.649 -15.748 -10.909 1.00 0.00 H new ATOM 571 N GLU A 34 -7.457 -12.230 -10.223 1.00 0.00 N ATOM 572 CA GLU A 34 -8.813 -11.836 -10.594 1.00 0.00 C ATOM 573 C GLU A 34 -9.099 -10.387 -10.154 1.00 0.00 C ATOM 574 O GLU A 34 -9.635 -9.601 -10.935 1.00 0.00 O ATOM 575 CB GLU A 34 -9.803 -12.866 -10.020 1.00 0.00 C ATOM 576 CG GLU A 34 -11.216 -12.811 -10.619 1.00 0.00 C ATOM 577 CD GLU A 34 -12.178 -11.924 -9.807 1.00 0.00 C ATOM 578 OE1 GLU A 34 -12.710 -12.383 -8.767 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.442 -10.771 -10.221 1.00 0.00 O ATOM 0 H GLU A 34 -7.426 -13.038 -9.601 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.932 -11.838 -11.677 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.397 -13.865 -10.177 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.875 -12.717 -8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.158 -12.435 -11.640 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.621 -13.821 -10.674 1.00 0.00 H new ATOM 586 N ASP A 35 -8.639 -9.981 -8.963 1.00 0.00 N ATOM 587 CA ASP A 35 -8.668 -8.582 -8.545 1.00 0.00 C ATOM 588 C ASP A 35 -7.625 -7.710 -9.239 1.00 0.00 C ATOM 589 O ASP A 35 -7.973 -6.615 -9.672 1.00 0.00 O ATOM 590 CB ASP A 35 -8.431 -8.468 -7.042 1.00 0.00 C ATOM 591 CG ASP A 35 -9.474 -9.111 -6.121 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.672 -9.200 -6.495 1.00 0.00 O ATOM 593 OD2 ASP A 35 -9.073 -9.447 -4.981 1.00 0.00 O ATOM 0 H ASP A 35 -8.239 -10.613 -8.269 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.658 -8.222 -8.826 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.461 -8.912 -6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.363 -7.410 -6.789 1.00 0.00 H new ATOM 598 N GLU A 36 -6.374 -8.158 -9.410 1.00 0.00 N ATOM 599 CA GLU A 36 -5.386 -7.372 -10.161 1.00 0.00 C ATOM 600 C GLU A 36 -5.844 -7.039 -11.595 1.00 0.00 C ATOM 601 O GLU A 36 -5.420 -6.030 -12.162 1.00 0.00 O ATOM 602 CB GLU A 36 -4.044 -8.099 -10.224 1.00 0.00 C ATOM 603 CG GLU A 36 -3.412 -8.431 -8.876 1.00 0.00 C ATOM 604 CD GLU A 36 -3.035 -7.238 -8.003 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.024 -6.046 -8.403 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.705 -7.451 -6.816 1.00 0.00 O ATOM 0 H GLU A 36 -6.026 -9.045 -9.046 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.278 -6.433 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.179 -9.027 -10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.345 -7.485 -10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.105 -9.060 -8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.515 -9.024 -9.054 1.00 0.00 H new ATOM 613 N GLU A 37 -6.747 -7.844 -12.167 1.00 0.00 N ATOM 614 CA GLU A 37 -7.331 -7.605 -13.492 1.00 0.00 C ATOM 615 C GLU A 37 -8.264 -6.378 -13.486 1.00 0.00 C ATOM 616 O GLU A 37 -8.349 -5.660 -14.486 1.00 0.00 O ATOM 617 CB GLU A 37 -8.069 -8.869 -13.972 1.00 0.00 C ATOM 618 CG GLU A 37 -8.209 -8.915 -15.499 1.00 0.00 C ATOM 619 CD GLU A 37 -8.967 -10.178 -15.954 1.00 0.00 C ATOM 620 OE1 GLU A 37 -8.337 -11.256 -16.093 1.00 0.00 O ATOM 621 OE2 GLU A 37 -10.195 -10.099 -16.198 1.00 0.00 O ATOM 0 H GLU A 37 -7.097 -8.690 -11.717 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.524 -7.385 -14.191 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.530 -9.753 -13.632 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.059 -8.904 -13.517 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.738 -8.027 -15.845 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.220 -8.896 -15.958 1.00 0.00 H new ATOM 628 N LYS A 38 -8.904 -6.089 -12.340 1.00 0.00 N ATOM 629 CA LYS A 38 -9.592 -4.816 -12.072 1.00 0.00 C ATOM 630 C LYS A 38 -8.659 -3.703 -11.625 1.00 0.00 C ATOM 631 O LYS A 38 -8.884 -2.562 -11.995 1.00 0.00 O ATOM 632 CB LYS A 38 -10.663 -4.949 -10.982 1.00 0.00 C ATOM 633 CG LYS A 38 -12.000 -5.493 -11.491 1.00 0.00 C ATOM 634 CD LYS A 38 -12.311 -6.901 -11.005 1.00 0.00 C ATOM 635 CE LYS A 38 -12.391 -7.035 -9.480 1.00 0.00 C ATOM 636 NZ LYS A 38 -12.981 -8.337 -9.087 1.00 0.00 N ATOM 0 H LYS A 38 -8.958 -6.745 -11.561 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.039 -4.560 -13.032 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.289 -5.607 -10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.828 -3.972 -10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.799 -4.823 -11.173 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.993 -5.487 -12.581 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.259 -7.222 -11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.545 -7.580 -11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.393 -6.940 -9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.992 -6.222 -9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.614 -8.617 -8.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.016 -8.249 -9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.727 -9.060 -9.790 1.00 0.00 H new ATOM 650 N HIS A 39 -7.644 -3.973 -10.809 1.00 0.00 N ATOM 651 CA HIS A 39 -6.872 -2.941 -10.130 1.00 0.00 C ATOM 652 C HIS A 39 -6.219 -1.923 -11.076 1.00 0.00 C ATOM 653 O HIS A 39 -6.252 -0.725 -10.791 1.00 0.00 O ATOM 654 CB HIS A 39 -5.837 -3.666 -9.287 1.00 0.00 C ATOM 655 CG HIS A 39 -6.330 -4.296 -8.015 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.466 -4.733 -7.012 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.623 -4.484 -7.614 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.264 -5.168 -6.026 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.558 -5.024 -6.356 1.00 0.00 N ATOM 0 H HIS A 39 -7.333 -4.922 -10.600 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.541 -2.335 -9.519 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.383 -4.445 -9.900 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.047 -2.959 -9.034 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.446 -4.724 -7.025 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.516 -4.253 -8.176 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.913 -5.579 -5.091 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.355 -5.274 -5.771 1.00 0.00 H new ATOM 667 N ILE A 40 -5.687 -2.373 -12.219 1.00 0.00 N ATOM 668 CA ILE A 40 -5.101 -1.477 -13.230 1.00 0.00 C ATOM 669 C ILE A 40 -6.184 -0.606 -13.890 1.00 0.00 C ATOM 670 O ILE A 40 -6.002 0.607 -13.996 1.00 0.00 O ATOM 671 CB ILE A 40 -4.278 -2.258 -14.286 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.229 -3.163 -13.601 1.00 0.00 C ATOM 673 CG2 ILE A 40 -3.557 -1.268 -15.221 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.362 -3.998 -14.554 1.00 0.00 C ATOM 0 H ILE A 40 -5.649 -3.361 -12.470 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.407 -0.813 -12.715 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.962 -2.881 -14.861 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.574 -2.538 -12.994 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.746 -3.839 -12.920 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.980 -1.822 -15.962 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.293 -0.644 -15.727 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.887 -0.637 -14.636 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.659 -4.597 -13.975 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.000 -4.656 -15.144 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.810 -3.334 -15.220 1.00 0.00 H new ATOM 686 N GLU A 41 -7.330 -1.181 -14.286 1.00 0.00 N ATOM 687 CA GLU A 41 -8.464 -0.390 -14.801 1.00 0.00 C ATOM 688 C GLU A 41 -9.047 0.570 -13.750 1.00 0.00 C ATOM 689 O GLU A 41 -9.391 1.707 -14.070 1.00 0.00 O ATOM 690 CB GLU A 41 -9.523 -1.258 -15.527 1.00 0.00 C ATOM 691 CG GLU A 41 -10.157 -2.499 -14.908 1.00 0.00 C ATOM 692 CD GLU A 41 -11.535 -2.259 -14.251 1.00 0.00 C ATOM 693 OE1 GLU A 41 -11.932 -1.096 -14.013 1.00 0.00 O ATOM 694 OE2 GLU A 41 -12.280 -3.250 -14.057 1.00 0.00 O ATOM 0 H GLU A 41 -7.498 -2.187 -14.261 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.060 0.260 -15.577 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.344 -0.589 -15.785 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.067 -1.580 -16.463 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.266 -3.259 -15.681 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.477 -2.902 -14.158 1.00 0.00 H new ATOM 701 N TRP A 42 -9.058 0.169 -12.482 1.00 0.00 N ATOM 702 CA TRP A 42 -9.530 0.925 -11.324 1.00 0.00 C ATOM 703 C TRP A 42 -8.772 2.215 -11.006 1.00 0.00 C ATOM 704 O TRP A 42 -9.435 3.230 -10.807 1.00 0.00 O ATOM 705 CB TRP A 42 -9.642 -0.072 -10.149 1.00 0.00 C ATOM 706 CG TRP A 42 -10.939 -0.809 -10.078 1.00 0.00 C ATOM 707 CD1 TRP A 42 -11.964 -0.656 -10.940 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.379 -1.821 -9.122 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.025 -1.427 -10.559 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.710 -2.216 -9.467 1.00 0.00 C ATOM 711 CE3 TRP A 42 -10.769 -2.481 -8.032 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.397 -3.218 -8.762 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.440 -3.501 -7.333 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.752 -3.866 -7.692 1.00 0.00 C ATOM 0 H TRP A 42 -8.715 -0.754 -12.218 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.509 1.344 -11.555 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.832 -0.797 -10.227 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.496 0.470 -9.215 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -11.948 -0.015 -11.809 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -13.934 -1.422 -11.021 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.771 -2.198 -7.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.406 -3.487 -9.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.946 -4.007 -6.517 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.264 -4.644 -7.145 1.00 0.00 H new ATOM 725 N LEU A 43 -7.436 2.250 -11.024 1.00 0.00 N ATOM 726 CA LEU A 43 -6.682 3.507 -10.836 1.00 0.00 C ATOM 727 C LEU A 43 -6.661 4.436 -12.069 1.00 0.00 C ATOM 728 O LEU A 43 -6.366 5.623 -11.927 1.00 0.00 O ATOM 729 CB LEU A 43 -5.299 3.205 -10.243 1.00 0.00 C ATOM 730 CG LEU A 43 -4.364 2.482 -11.219 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.371 3.443 -11.869 1.00 0.00 C ATOM 732 CD2 LEU A 43 -3.576 1.394 -10.498 1.00 0.00 C ATOM 0 H LEU A 43 -6.850 1.428 -11.166 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.228 4.108 -10.108 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.834 4.140 -9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.421 2.595 -9.348 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.994 2.044 -11.993 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.726 2.892 -12.554 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.915 4.210 -12.421 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.762 3.914 -11.097 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.918 0.891 -11.207 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.979 1.843 -9.704 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.267 0.669 -10.068 1.00 0.00 H new ATOM 744 N GLU A 44 -7.029 3.951 -13.261 1.00 0.00 N ATOM 745 CA GLU A 44 -7.150 4.750 -14.484 1.00 0.00 C ATOM 746 C GLU A 44 -8.569 5.273 -14.732 1.00 0.00 C ATOM 747 O GLU A 44 -8.730 6.395 -15.210 1.00 0.00 O ATOM 748 CB GLU A 44 -6.717 3.863 -15.663 1.00 0.00 C ATOM 749 CG GLU A 44 -5.380 4.315 -16.260 1.00 0.00 C ATOM 750 CD GLU A 44 -5.027 3.574 -17.570 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.261 2.347 -17.683 1.00 0.00 O ATOM 752 OE2 GLU A 44 -4.506 4.227 -18.507 1.00 0.00 O ATOM 0 H GLU A 44 -7.256 2.967 -13.404 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.516 5.631 -14.378 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.633 2.829 -15.328 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.485 3.886 -16.436 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.418 5.387 -16.453 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.587 4.150 -15.530 1.00 0.00 H new ATOM 759 N THR A 45 -9.602 4.506 -14.374 1.00 0.00 N ATOM 760 CA THR A 45 -11.018 4.892 -14.465 1.00 0.00 C ATOM 761 C THR A 45 -11.299 6.236 -13.785 1.00 0.00 C ATOM 762 O THR A 45 -12.072 7.051 -14.293 1.00 0.00 O ATOM 763 CB THR A 45 -11.914 3.783 -13.893 1.00 0.00 C ATOM 764 OG1 THR A 45 -11.874 2.661 -14.747 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.388 4.164 -13.752 1.00 0.00 C ATOM 0 H THR A 45 -9.474 3.566 -13.999 1.00 0.00 H new ATOM 0 HA THR A 45 -11.254 5.021 -15.521 1.00 0.00 H new ATOM 0 HB THR A 45 -11.518 3.585 -12.897 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.010 2.209 -14.653 1.00 0.00 H new ATOM 0 HG21 THR A 45 -13.944 3.321 -13.341 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.480 5.020 -13.084 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.792 4.423 -14.731 1.00 0.00 H new ATOM 773 N ILE A 46 -10.607 6.498 -12.672 1.00 0.00 N ATOM 774 CA ILE A 46 -10.642 7.758 -11.910 1.00 0.00 C ATOM 775 C ILE A 46 -10.311 8.978 -12.780 1.00 0.00 C ATOM 776 O ILE A 46 -10.925 10.039 -12.649 1.00 0.00 O ATOM 777 CB ILE A 46 -9.655 7.708 -10.717 1.00 0.00 C ATOM 778 CG1 ILE A 46 -9.629 6.323 -10.035 1.00 0.00 C ATOM 779 CG2 ILE A 46 -9.998 8.816 -9.712 1.00 0.00 C ATOM 780 CD1 ILE A 46 -8.788 6.219 -8.765 1.00 0.00 C ATOM 0 H ILE A 46 -9.979 5.810 -12.256 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.663 7.866 -11.544 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.651 7.878 -11.106 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.653 6.040 -9.793 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.258 5.593 -10.754 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.301 8.776 -8.875 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.923 9.787 -10.201 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.014 8.672 -9.345 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.844 5.203 -8.374 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.751 6.463 -8.995 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.168 6.917 -8.019 1.00 0.00 H new ATOM 792 N LEU A 47 -9.332 8.820 -13.672 1.00 0.00 N ATOM 793 CA LEU A 47 -8.764 9.897 -14.484 1.00 0.00 C ATOM 794 C LEU A 47 -9.708 10.399 -15.594 1.00 0.00 C ATOM 795 O LEU A 47 -9.540 11.516 -16.088 1.00 0.00 O ATOM 796 CB LEU A 47 -7.435 9.428 -15.106 1.00 0.00 C ATOM 797 CG LEU A 47 -6.430 8.798 -14.123 1.00 0.00 C ATOM 798 CD1 LEU A 47 -5.211 8.312 -14.902 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.981 9.779 -13.040 1.00 0.00 C ATOM 0 H LEU A 47 -8.900 7.914 -13.855 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.601 10.740 -13.813 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.656 8.702 -15.888 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.959 10.281 -15.589 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.929 7.967 -13.624 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.494 7.864 -14.214 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.521 7.569 -15.637 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.746 9.155 -15.413 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.274 9.286 -12.373 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.501 10.640 -13.505 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.847 10.111 -12.468 1.00 0.00 H new ATOM 811 N GLY A 48 -10.679 9.573 -16.000 1.00 0.00 N ATOM 812 CA GLY A 48 -11.631 9.850 -17.085 1.00 0.00 C ATOM 813 C GLY A 48 -11.260 9.213 -18.436 1.00 0.00 C ATOM 814 O GLY A 48 -12.037 9.278 -19.388 1.00 0.00 O ATOM 0 H GLY A 48 -10.830 8.661 -15.568 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.617 9.492 -16.787 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.710 10.929 -17.216 1.00 0.00 H new ATOM 828 N ASP B 1 10.826 -18.338 -7.102 1.00 0.00 N ATOM 829 CA ASP B 1 11.255 -16.926 -7.031 1.00 0.00 C ATOM 830 C ASP B 1 10.126 -15.909 -7.286 1.00 0.00 C ATOM 831 O ASP B 1 10.132 -14.799 -6.750 1.00 0.00 O ATOM 832 CB ASP B 1 12.388 -16.718 -8.041 1.00 0.00 C ATOM 833 CG ASP B 1 13.100 -15.363 -7.863 1.00 0.00 C ATOM 834 OD1 ASP B 1 13.660 -15.107 -6.769 1.00 0.00 O ATOM 835 OD2 ASP B 1 13.139 -14.569 -8.833 1.00 0.00 O ATOM 0 H1 ASP B 1 11.614 -18.955 -6.820 1.00 0.00 H new ATOM 0 H2 ASP B 1 10.022 -18.489 -6.460 1.00 0.00 H new ATOM 0 H3 ASP B 1 10.539 -18.565 -8.076 1.00 0.00 H new ATOM 0 HA ASP B 1 11.587 -16.739 -6.010 1.00 0.00 H new ATOM 0 HB2 ASP B 1 13.115 -17.523 -7.936 1.00 0.00 H new ATOM 0 HB3 ASP B 1 11.985 -16.782 -9.052 1.00 0.00 H new ATOM 840 N TYR B 2 9.123 -16.315 -8.067 1.00 0.00 N ATOM 841 CA TYR B 2 7.905 -15.540 -8.326 1.00 0.00 C ATOM 842 C TYR B 2 7.177 -15.105 -7.045 1.00 0.00 C ATOM 843 O TYR B 2 6.686 -13.983 -6.971 1.00 0.00 O ATOM 844 CB TYR B 2 6.965 -16.329 -9.250 1.00 0.00 C ATOM 845 CG TYR B 2 6.237 -17.516 -8.636 1.00 0.00 C ATOM 846 CD1 TYR B 2 6.853 -18.782 -8.578 1.00 0.00 C ATOM 847 CD2 TYR B 2 4.923 -17.355 -8.149 1.00 0.00 C ATOM 848 CE1 TYR B 2 6.167 -19.881 -8.023 1.00 0.00 C ATOM 849 CE2 TYR B 2 4.233 -18.452 -7.599 1.00 0.00 C ATOM 850 CZ TYR B 2 4.853 -19.718 -7.530 1.00 0.00 C ATOM 851 OH TYR B 2 4.182 -20.769 -6.987 1.00 0.00 O ATOM 0 H TYR B 2 9.134 -17.214 -8.549 1.00 0.00 H new ATOM 0 HA TYR B 2 8.215 -14.620 -8.822 1.00 0.00 H new ATOM 0 HB2 TYR B 2 6.219 -15.639 -9.644 1.00 0.00 H new ATOM 0 HB3 TYR B 2 7.546 -16.689 -10.099 1.00 0.00 H new ATOM 0 HD1 TYR B 2 7.855 -18.911 -8.960 1.00 0.00 H new ATOM 0 HD2 TYR B 2 4.445 -16.388 -8.198 1.00 0.00 H new ATOM 0 HE1 TYR B 2 6.646 -20.848 -7.975 1.00 0.00 H new ATOM 0 HE2 TYR B 2 3.226 -18.324 -7.229 1.00 0.00 H new ATOM 0 HH TYR B 2 3.292 -20.476 -6.699 1.00 0.00 H new ATOM 861 N LEU B 3 7.154 -15.956 -6.016 1.00 0.00 N ATOM 862 CA LEU B 3 6.526 -15.675 -4.714 1.00 0.00 C ATOM 863 C LEU B 3 7.220 -14.515 -3.995 1.00 0.00 C ATOM 864 O LEU B 3 6.552 -13.607 -3.503 1.00 0.00 O ATOM 865 CB LEU B 3 6.566 -16.928 -3.818 1.00 0.00 C ATOM 866 CG LEU B 3 5.735 -18.108 -4.345 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.078 -19.377 -3.568 1.00 0.00 C ATOM 868 CD2 LEU B 3 4.230 -17.848 -4.217 1.00 0.00 C ATOM 0 H LEU B 3 7.580 -16.882 -6.062 1.00 0.00 H new ATOM 0 HA LEU B 3 5.490 -15.393 -4.905 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.602 -17.249 -3.708 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.207 -16.661 -2.824 1.00 0.00 H new ATOM 0 HG LEU B 3 5.979 -18.228 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.484 -20.208 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.138 -19.603 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU B 3 5.857 -19.227 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU B 3 3.679 -18.706 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU B 3 3.976 -17.692 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.964 -16.960 -4.791 1.00 0.00 H new ATOM 880 N ARG B 4 8.559 -14.513 -3.980 1.00 0.00 N ATOM 881 CA ARG B 4 9.376 -13.409 -3.448 1.00 0.00 C ATOM 882 C ARG B 4 9.077 -12.112 -4.198 1.00 0.00 C ATOM 883 O ARG B 4 8.851 -11.079 -3.570 1.00 0.00 O ATOM 884 CB ARG B 4 10.862 -13.821 -3.509 1.00 0.00 C ATOM 885 CG ARG B 4 11.858 -12.914 -2.765 1.00 0.00 C ATOM 886 CD ARG B 4 12.144 -11.576 -3.465 1.00 0.00 C ATOM 887 NE ARG B 4 13.388 -10.955 -2.969 1.00 0.00 N ATOM 888 CZ ARG B 4 14.614 -11.152 -3.425 1.00 0.00 C ATOM 889 NH1 ARG B 4 14.876 -11.983 -4.396 1.00 0.00 N ATOM 890 NH2 ARG B 4 15.620 -10.511 -2.904 1.00 0.00 N ATOM 0 H ARG B 4 9.115 -15.288 -4.341 1.00 0.00 H new ATOM 0 HA ARG B 4 9.127 -13.213 -2.405 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.953 -14.830 -3.106 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.160 -13.868 -4.556 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.471 -12.712 -1.766 1.00 0.00 H new ATOM 0 HG3 ARG B 4 12.797 -13.453 -2.640 1.00 0.00 H new ATOM 0 HD2 ARG B 4 12.221 -11.737 -4.540 1.00 0.00 H new ATOM 0 HD3 ARG B 4 11.308 -10.895 -3.304 1.00 0.00 H new ATOM 0 HE ARG B 4 13.292 -10.303 -2.190 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.121 -12.511 -4.834 1.00 0.00 H new ATOM 0 HH12 ARG B 4 15.836 -12.105 -4.718 1.00 0.00 H new ATOM 0 HH21 ARG B 4 15.465 -9.853 -2.140 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.563 -10.667 -3.260 1.00 0.00 H new ATOM 904 N GLU B 5 9.019 -12.165 -5.529 1.00 0.00 N ATOM 905 CA GLU B 5 8.719 -10.996 -6.372 1.00 0.00 C ATOM 906 C GLU B 5 7.298 -10.440 -6.137 1.00 0.00 C ATOM 907 O GLU B 5 7.105 -9.224 -6.065 1.00 0.00 O ATOM 908 CB GLU B 5 8.964 -11.374 -7.838 1.00 0.00 C ATOM 909 CG GLU B 5 8.948 -10.162 -8.783 1.00 0.00 C ATOM 910 CD GLU B 5 9.310 -10.525 -10.241 1.00 0.00 C ATOM 911 OE1 GLU B 5 9.866 -11.612 -10.506 1.00 0.00 O ATOM 912 OE2 GLU B 5 9.064 -9.678 -11.138 1.00 0.00 O ATOM 0 H GLU B 5 9.179 -13.021 -6.060 1.00 0.00 H new ATOM 0 HA GLU B 5 9.387 -10.180 -6.095 1.00 0.00 H new ATOM 0 HB2 GLU B 5 9.926 -11.879 -7.921 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.202 -12.085 -8.156 1.00 0.00 H new ATOM 0 HG2 GLU B 5 7.958 -9.707 -8.763 1.00 0.00 H new ATOM 0 HG3 GLU B 5 9.650 -9.414 -8.416 1.00 0.00 H new ATOM 919 N LEU B 6 6.317 -11.326 -5.935 1.00 0.00 N ATOM 920 CA LEU B 6 4.940 -11.026 -5.525 1.00 0.00 C ATOM 921 C LEU B 6 4.879 -10.306 -4.165 1.00 0.00 C ATOM 922 O LEU B 6 4.397 -9.177 -4.071 1.00 0.00 O ATOM 923 CB LEU B 6 4.170 -12.367 -5.493 1.00 0.00 C ATOM 924 CG LEU B 6 3.238 -12.615 -6.686 1.00 0.00 C ATOM 925 CD1 LEU B 6 3.856 -12.418 -8.074 1.00 0.00 C ATOM 926 CD2 LEU B 6 2.718 -14.054 -6.619 1.00 0.00 C ATOM 0 H LEU B 6 6.470 -12.327 -6.060 1.00 0.00 H new ATOM 0 HA LEU B 6 4.483 -10.338 -6.236 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.893 -13.181 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.580 -12.407 -4.577 1.00 0.00 H new ATOM 0 HG LEU B 6 2.458 -11.860 -6.588 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.106 -12.621 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.207 -11.391 -8.173 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.695 -13.102 -8.199 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.054 -14.241 -7.463 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.559 -14.747 -6.658 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.171 -14.200 -5.688 1.00 0.00 H new ATOM 938 N LEU B 7 5.400 -10.948 -3.117 1.00 0.00 N ATOM 939 CA LEU B 7 5.449 -10.429 -1.740 1.00 0.00 C ATOM 940 C LEU B 7 6.182 -9.069 -1.584 1.00 0.00 C ATOM 941 O LEU B 7 5.887 -8.341 -0.634 1.00 0.00 O ATOM 942 CB LEU B 7 6.081 -11.489 -0.806 1.00 0.00 C ATOM 943 CG LEU B 7 5.041 -12.404 -0.114 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.312 -13.888 -0.360 1.00 0.00 C ATOM 945 CD2 LEU B 7 5.028 -12.178 1.398 1.00 0.00 C ATOM 0 H LEU B 7 5.815 -11.876 -3.202 1.00 0.00 H new ATOM 0 HA LEU B 7 4.415 -10.232 -1.458 1.00 0.00 H new ATOM 0 HB2 LEU B 7 6.769 -12.107 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.672 -10.983 -0.043 1.00 0.00 H new ATOM 0 HG LEU B 7 4.078 -12.138 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.554 -14.485 0.147 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.278 -14.091 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.297 -14.147 0.028 1.00 0.00 H new ATOM 0 HD21 LEU B 7 4.288 -12.834 1.858 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.014 -12.399 1.807 1.00 0.00 H new ATOM 0 HD23 LEU B 7 4.773 -11.139 1.608 1.00 0.00 H new ATOM 957 N LYS B 8 7.113 -8.699 -2.481 1.00 0.00 N ATOM 958 CA LYS B 8 8.065 -7.588 -2.331 1.00 0.00 C ATOM 959 C LYS B 8 7.790 -6.518 -3.394 1.00 0.00 C ATOM 960 O LYS B 8 8.521 -6.377 -4.377 1.00 0.00 O ATOM 961 CB LYS B 8 9.473 -8.193 -2.428 1.00 0.00 C ATOM 962 CG LYS B 8 10.607 -7.238 -2.041 1.00 0.00 C ATOM 963 CD LYS B 8 10.907 -7.278 -0.539 1.00 0.00 C ATOM 964 CE LYS B 8 11.978 -6.224 -0.273 1.00 0.00 C ATOM 965 NZ LYS B 8 12.525 -6.306 1.108 1.00 0.00 N ATOM 0 H LYS B 8 7.226 -9.189 -3.369 1.00 0.00 H new ATOM 0 HA LYS B 8 7.964 -7.083 -1.370 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.521 -9.072 -1.785 1.00 0.00 H new ATOM 0 HB3 LYS B 8 9.637 -8.535 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS B 8 11.507 -7.500 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS B 8 10.339 -6.222 -2.330 1.00 0.00 H new ATOM 0 HD2 LYS B 8 10.008 -7.069 0.040 1.00 0.00 H new ATOM 0 HD3 LYS B 8 11.256 -8.267 -0.241 1.00 0.00 H new ATOM 0 HE2 LYS B 8 12.790 -6.346 -0.990 1.00 0.00 H new ATOM 0 HE3 LYS B 8 11.556 -5.232 -0.435 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 13.248 -5.570 1.239 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.757 -6.163 1.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 12.953 -7.242 1.257 1.00 0.00 H new ATOM 979 N GLY B 9 6.676 -5.807 -3.227 1.00 0.00 N ATOM 980 CA GLY B 9 6.168 -4.855 -4.201 1.00 0.00 C ATOM 981 C GLY B 9 4.687 -4.527 -4.112 1.00 0.00 C ATOM 982 O GLY B 9 4.303 -3.380 -4.326 1.00 0.00 O ATOM 0 H GLY B 9 6.093 -5.881 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.731 -3.927 -4.098 1.00 0.00 H new ATOM 0 HA3 GLY B 9 6.373 -5.244 -5.199 1.00 0.00 H new ATOM 986 N GLU B 10 3.854 -5.487 -3.715 1.00 0.00 N ATOM 987 CA GLU B 10 2.416 -5.254 -3.486 1.00 0.00 C ATOM 988 C GLU B 10 2.162 -4.114 -2.475 1.00 0.00 C ATOM 989 O GLU B 10 1.231 -3.333 -2.657 1.00 0.00 O ATOM 990 CB GLU B 10 1.711 -6.584 -3.116 1.00 0.00 C ATOM 991 CG GLU B 10 1.366 -7.463 -4.345 1.00 0.00 C ATOM 992 CD GLU B 10 -0.107 -7.896 -4.475 1.00 0.00 C ATOM 993 OE1 GLU B 10 -1.054 -7.581 -3.738 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.648 -8.302 -5.517 1.00 0.00 O ATOM 0 H GLU B 10 4.149 -6.448 -3.541 1.00 0.00 H new ATOM 0 HA GLU B 10 1.968 -4.904 -4.416 1.00 0.00 H new ATOM 0 HB2 GLU B 10 2.353 -7.151 -2.442 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.794 -6.361 -2.570 1.00 0.00 H new ATOM 0 HG2 GLU B 10 1.644 -6.917 -5.246 1.00 0.00 H new ATOM 0 HG3 GLU B 10 1.986 -8.359 -4.311 1.00 0.00 H new ATOM 1001 N LEU B 11 3.055 -3.893 -1.499 1.00 0.00 N ATOM 1002 CA LEU B 11 3.013 -2.828 -0.503 1.00 0.00 C ATOM 1003 C LEU B 11 3.804 -1.574 -0.850 1.00 0.00 C ATOM 1004 O LEU B 11 3.522 -0.502 -0.314 1.00 0.00 O ATOM 1005 CB LEU B 11 3.419 -3.497 0.809 1.00 0.00 C ATOM 1006 CG LEU B 11 4.931 -3.728 0.921 1.00 0.00 C ATOM 1007 CD1 LEU B 11 5.577 -2.641 1.779 1.00 0.00 C ATOM 1008 CD2 LEU B 11 5.212 -5.105 1.507 1.00 0.00 C ATOM 0 H LEU B 11 3.872 -4.492 -1.383 1.00 0.00 H new ATOM 0 HA LEU B 11 2.011 -2.404 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.089 -2.878 1.643 1.00 0.00 H new ATOM 0 HB3 LEU B 11 2.903 -4.453 0.898 1.00 0.00 H new ATOM 0 HG LEU B 11 5.364 -3.680 -0.078 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.650 -2.821 1.847 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.401 -1.666 1.324 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.142 -2.659 2.778 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.289 -5.256 1.581 1.00 0.00 H new ATOM 0 HD22 LEU B 11 4.767 -5.176 2.499 1.00 0.00 H new ATOM 0 HD23 LEU B 11 4.782 -5.870 0.861 1.00 0.00 H new ATOM 1020 N GLN B 12 4.662 -1.677 -1.859 1.00 0.00 N ATOM 1021 CA GLN B 12 5.064 -0.547 -2.674 1.00 0.00 C ATOM 1022 C GLN B 12 3.862 0.018 -3.474 1.00 0.00 C ATOM 1023 O GLN B 12 3.941 1.141 -3.972 1.00 0.00 O ATOM 1024 CB GLN B 12 6.263 -0.969 -3.544 1.00 0.00 C ATOM 1025 CG GLN B 12 7.324 0.131 -3.660 1.00 0.00 C ATOM 1026 CD GLN B 12 8.583 -0.393 -4.349 1.00 0.00 C ATOM 1027 OE1 GLN B 12 9.563 -0.768 -3.716 1.00 0.00 O ATOM 1028 NE2 GLN B 12 8.604 -0.466 -5.663 1.00 0.00 N ATOM 0 H GLN B 12 5.099 -2.557 -2.133 1.00 0.00 H new ATOM 0 HA GLN B 12 5.394 0.283 -2.049 1.00 0.00 H new ATOM 0 HB2 GLN B 12 6.718 -1.864 -3.119 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.909 -1.233 -4.540 1.00 0.00 H new ATOM 0 HG2 GLN B 12 6.920 0.972 -4.223 1.00 0.00 H new ATOM 0 HG3 GLN B 12 7.577 0.504 -2.667 1.00 0.00 H new ATOM 0 HE21 GLN B 12 7.796 -0.158 -6.204 1.00 0.00 H new ATOM 0 HE22 GLN B 12 9.428 -0.831 -6.140 1.00 0.00 H new ATOM 1037 N GLY B 13 2.725 -0.704 -3.517 1.00 0.00 N ATOM 1038 CA GLY B 13 1.404 -0.194 -3.905 1.00 0.00 C ATOM 1039 C GLY B 13 0.509 0.187 -2.712 1.00 0.00 C ATOM 1040 O GLY B 13 0.034 1.321 -2.675 1.00 0.00 O ATOM 0 H GLY B 13 2.705 -1.694 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY B 13 1.536 0.681 -4.542 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.894 -0.950 -4.502 1.00 0.00 H new ATOM 1044 N ILE B 14 0.320 -0.693 -1.707 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.574 -0.452 -0.533 1.00 0.00 C ATOM 1046 C ILE B 14 -0.306 0.922 0.103 1.00 0.00 C ATOM 1047 O ILE B 14 -1.233 1.700 0.339 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.457 -1.550 0.562 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -0.855 -2.952 0.057 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.337 -1.233 1.792 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.352 -4.094 0.950 1.00 0.00 C ATOM 0 H ILE B 14 0.783 -1.601 -1.678 1.00 0.00 H new ATOM 0 HA ILE B 14 -1.588 -0.484 -0.931 1.00 0.00 H new ATOM 0 HB ILE B 14 0.598 -1.553 0.837 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -1.941 -3.009 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.463 -3.091 -0.951 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.226 -2.025 2.533 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -1.026 -0.283 2.227 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.381 -1.167 1.485 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -0.670 -5.049 0.532 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.736 -4.064 1.000 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -0.765 -3.981 1.952 1.00 0.00 H new ATOM 1063 N LYS B 15 0.972 1.232 0.361 1.00 0.00 N ATOM 1064 CA LYS B 15 1.399 2.462 1.039 1.00 0.00 C ATOM 1065 C LYS B 15 1.172 3.722 0.197 1.00 0.00 C ATOM 1066 O LYS B 15 0.762 4.760 0.712 1.00 0.00 O ATOM 1067 CB LYS B 15 2.881 2.306 1.427 1.00 0.00 C ATOM 1068 CG LYS B 15 3.265 3.158 2.641 1.00 0.00 C ATOM 1069 CD LYS B 15 4.779 3.073 2.903 1.00 0.00 C ATOM 1070 CE LYS B 15 5.130 3.304 4.379 1.00 0.00 C ATOM 1071 NZ LYS B 15 4.872 2.092 5.205 1.00 0.00 N ATOM 0 H LYS B 15 1.749 0.625 0.100 1.00 0.00 H new ATOM 0 HA LYS B 15 0.785 2.599 1.929 1.00 0.00 H new ATOM 0 HB2 LYS B 15 3.088 1.258 1.643 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.506 2.586 0.579 1.00 0.00 H new ATOM 0 HG2 LYS B 15 2.977 4.195 2.470 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.718 2.816 3.520 1.00 0.00 H new ATOM 0 HD2 LYS B 15 5.144 2.093 2.594 1.00 0.00 H new ATOM 0 HD3 LYS B 15 5.293 3.813 2.290 1.00 0.00 H new ATOM 0 HE2 LYS B 15 6.180 3.585 4.463 1.00 0.00 H new ATOM 0 HE3 LYS B 15 4.545 4.139 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 5.121 2.287 6.196 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 3.865 1.839 5.145 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 5.449 1.302 4.852 1.00 0.00 H new ATOM 1085 N GLN B 16 1.386 3.605 -1.112 1.00 0.00 N ATOM 1086 CA GLN B 16 1.241 4.673 -2.102 1.00 0.00 C ATOM 1087 C GLN B 16 -0.223 5.022 -2.380 1.00 0.00 C ATOM 1088 O GLN B 16 -0.568 6.195 -2.529 1.00 0.00 O ATOM 1089 CB GLN B 16 1.963 4.235 -3.388 1.00 0.00 C ATOM 1090 CG GLN B 16 3.429 4.689 -3.442 1.00 0.00 C ATOM 1091 CD GLN B 16 4.277 4.298 -2.231 1.00 0.00 C ATOM 1092 OE1 GLN B 16 4.399 5.025 -1.255 1.00 0.00 O ATOM 1093 NE2 GLN B 16 4.906 3.146 -2.248 1.00 0.00 N ATOM 0 H GLN B 16 1.679 2.723 -1.532 1.00 0.00 H new ATOM 0 HA GLN B 16 1.691 5.584 -1.707 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.922 3.149 -3.468 1.00 0.00 H new ATOM 0 HB3 GLN B 16 1.432 4.638 -4.250 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.889 4.272 -4.338 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.453 5.774 -3.547 1.00 0.00 H new ATOM 0 HE21 GLN B 16 4.815 2.527 -3.054 1.00 0.00 H new ATOM 0 HE22 GLN B 16 5.485 2.869 -1.455 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.107 4.024 -2.359 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.546 4.234 -2.469 1.00 0.00 C ATOM 1104 C TYR B 17 -3.114 5.109 -1.350 1.00 0.00 C ATOM 1105 O TYR B 17 -4.080 5.843 -1.576 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.265 2.886 -2.473 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.240 2.147 -3.799 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.623 2.794 -4.991 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -2.851 0.796 -3.831 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.569 2.107 -6.218 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.783 0.110 -5.056 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.130 0.767 -6.255 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.117 0.085 -7.432 1.00 0.00 O ATOM 0 H TYR B 17 -0.841 3.044 -2.265 1.00 0.00 H new ATOM 0 HA TYR B 17 -2.715 4.764 -3.407 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -2.815 2.249 -1.711 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.304 3.045 -2.183 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -3.959 3.820 -4.963 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.604 0.284 -2.912 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.863 2.605 -7.130 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.465 -0.922 -5.079 1.00 0.00 H new ATOM 0 HH TYR B 17 -2.786 -0.825 -7.279 1.00 0.00 H new ATOM 1123 N ARG B 18 -2.517 5.081 -0.151 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.002 5.894 0.962 1.00 0.00 C ATOM 1125 C ARG B 18 -2.716 7.401 0.806 1.00 0.00 C ATOM 1126 O ARG B 18 -3.423 8.211 1.403 1.00 0.00 O ATOM 1127 CB ARG B 18 -2.498 5.300 2.275 1.00 0.00 C ATOM 1128 CG ARG B 18 -3.196 3.963 2.589 1.00 0.00 C ATOM 1129 CD ARG B 18 -2.766 3.394 3.946 1.00 0.00 C ATOM 1130 NE ARG B 18 -3.350 2.056 4.180 1.00 0.00 N ATOM 1131 CZ ARG B 18 -4.531 1.771 4.703 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -5.373 2.695 5.077 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -4.901 0.535 4.862 1.00 0.00 N ATOM 0 H ARG B 18 -1.703 4.507 0.068 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.091 5.853 0.966 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -1.421 5.145 2.217 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.675 6.005 3.087 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.276 4.108 2.583 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -2.967 3.242 1.805 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -1.679 3.330 3.987 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -3.076 4.072 4.741 1.00 0.00 H new ATOM 0 HE ARG B 18 -2.775 1.259 3.906 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -5.130 3.680 4.970 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -6.274 2.432 5.476 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -4.279 -0.224 4.583 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -5.813 0.324 5.266 1.00 0.00 H new ATOM 1147 N GLU B 19 -1.765 7.793 -0.051 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.614 9.173 -0.547 1.00 0.00 C ATOM 1149 C GLU B 19 -2.571 9.481 -1.716 1.00 0.00 C ATOM 1150 O GLU B 19 -3.031 10.613 -1.863 1.00 0.00 O ATOM 1151 CB GLU B 19 -0.171 9.385 -1.038 1.00 0.00 C ATOM 1152 CG GLU B 19 0.688 10.237 -0.097 1.00 0.00 C ATOM 1153 CD GLU B 19 1.015 9.513 1.223 1.00 0.00 C ATOM 1154 OE1 GLU B 19 2.033 8.781 1.280 1.00 0.00 O ATOM 1155 OE2 GLU B 19 0.279 9.702 2.223 1.00 0.00 O ATOM 0 H GLU B 19 -1.066 7.152 -0.427 1.00 0.00 H new ATOM 0 HA GLU B 19 -1.854 9.841 0.280 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.305 8.413 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -0.198 9.860 -2.019 1.00 0.00 H new ATOM 0 HG2 GLU B 19 1.617 10.504 -0.601 1.00 0.00 H new ATOM 0 HG3 GLU B 19 0.166 11.168 0.123 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.872 8.491 -2.561 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.672 8.674 -3.770 1.00 0.00 C ATOM 1164 C ALA B 20 -5.125 9.085 -3.471 1.00 0.00 C ATOM 1165 O ALA B 20 -5.617 10.010 -4.117 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.587 7.404 -4.620 1.00 0.00 C ATOM 0 H ALA B 20 -2.562 7.529 -2.421 1.00 0.00 H new ATOM 0 HA ALA B 20 -3.258 9.509 -4.336 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -4.181 7.531 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.548 7.217 -4.892 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.971 6.558 -4.050 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.796 8.501 -2.464 1.00 0.00 N ATOM 1173 CA LEU B 21 -7.141 8.950 -2.053 1.00 0.00 C ATOM 1174 C LEU B 21 -7.173 10.427 -1.641 1.00 0.00 C ATOM 1175 O LEU B 21 -8.189 11.086 -1.837 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.728 8.030 -0.967 1.00 0.00 C ATOM 1177 CG LEU B 21 -9.127 8.422 -0.441 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.946 7.181 -0.083 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.050 9.272 0.834 1.00 0.00 C ATOM 0 H LEU B 21 -5.432 7.719 -1.920 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.783 8.873 -2.930 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.781 7.017 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -7.037 8.006 -0.124 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.594 8.990 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.926 7.485 0.284 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -10.068 6.558 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.428 6.614 0.691 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.058 9.523 1.166 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.540 8.709 1.616 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.497 10.189 0.627 1.00 0.00 H new ATOM 1191 N GLU B 22 -6.079 10.987 -1.124 1.00 0.00 N ATOM 1192 CA GLU B 22 -6.043 12.420 -0.802 1.00 0.00 C ATOM 1193 C GLU B 22 -6.136 13.327 -2.045 1.00 0.00 C ATOM 1194 O GLU B 22 -6.663 14.437 -1.957 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.801 12.754 0.037 1.00 0.00 C ATOM 1196 CG GLU B 22 -5.141 12.978 1.518 1.00 0.00 C ATOM 1197 CD GLU B 22 -5.886 14.310 1.749 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -7.120 14.369 1.523 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -5.244 15.304 2.166 1.00 0.00 O ATOM 0 H GLU B 22 -5.216 10.482 -0.920 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.935 12.629 -0.212 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -4.078 11.943 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -4.325 13.649 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.756 12.153 1.877 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -4.223 12.970 2.105 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.694 12.843 -3.209 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.959 13.453 -4.514 1.00 0.00 C ATOM 1208 C TYR B 23 -7.322 13.060 -5.107 1.00 0.00 C ATOM 1209 O TYR B 23 -8.087 13.937 -5.513 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.828 13.079 -5.489 1.00 0.00 C ATOM 1211 CG TYR B 23 -3.824 14.196 -5.656 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -4.159 15.300 -6.463 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -2.587 14.158 -4.983 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -3.259 16.372 -6.598 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -1.680 15.228 -5.120 1.00 0.00 C ATOM 1216 CZ TYR B 23 -2.016 16.341 -5.928 1.00 0.00 C ATOM 1217 OH TYR B 23 -1.156 17.388 -6.063 1.00 0.00 O ATOM 0 H TYR B 23 -5.129 11.996 -3.271 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.993 14.532 -4.363 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -4.318 12.186 -5.126 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -5.256 12.829 -6.460 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -5.108 15.324 -6.979 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -2.334 13.310 -4.363 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -3.518 17.220 -7.215 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -0.729 15.199 -4.609 1.00 0.00 H new ATOM 0 HH TYR B 23 -0.346 17.215 -5.539 1.00 0.00 H new ATOM 1227 N THR B 24 -7.641 11.764 -5.186 1.00 0.00 N ATOM 1228 CA THR B 24 -8.821 11.275 -5.931 1.00 0.00 C ATOM 1229 C THR B 24 -10.144 11.461 -5.186 1.00 0.00 C ATOM 1230 O THR B 24 -11.203 11.534 -5.813 1.00 0.00 O ATOM 1231 CB THR B 24 -8.700 9.784 -6.283 1.00 0.00 C ATOM 1232 OG1 THR B 24 -8.815 8.991 -5.124 1.00 0.00 O ATOM 1233 CG2 THR B 24 -7.389 9.420 -6.986 1.00 0.00 C ATOM 0 H THR B 24 -7.098 11.024 -4.741 1.00 0.00 H new ATOM 0 HA THR B 24 -8.835 11.888 -6.832 1.00 0.00 H new ATOM 0 HB THR B 24 -9.516 9.585 -6.978 1.00 0.00 H new ATOM 0 HG1 THR B 24 -8.074 8.351 -5.091 1.00 0.00 H new ATOM 0 HG21 THR B 24 -7.377 8.352 -7.202 1.00 0.00 H new ATOM 0 HG22 THR B 24 -7.308 9.980 -7.918 1.00 0.00 H new ATOM 0 HG23 THR B 24 -6.548 9.669 -6.339 1.00 0.00 H new ATOM 1241 N HIS B 25 -10.092 11.482 -3.851 1.00 0.00 N ATOM 1242 CA HIS B 25 -11.204 11.326 -2.899 1.00 0.00 C ATOM 1243 C HIS B 25 -12.258 10.246 -3.271 1.00 0.00 C ATOM 1244 O HIS B 25 -13.428 10.351 -2.896 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.759 12.709 -2.496 1.00 0.00 C ATOM 1246 CG HIS B 25 -11.049 13.225 -1.265 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -11.448 13.015 0.044 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.808 13.803 -1.231 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -10.464 13.450 0.856 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -9.462 13.942 0.102 1.00 0.00 N ATOM 0 H HIS B 25 -9.205 11.619 -3.367 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.794 10.881 -1.992 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -11.631 13.413 -3.319 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.829 12.636 -2.302 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.212 14.095 -2.083 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -10.477 13.411 1.935 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.595 14.348 0.454 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.868 9.212 -4.030 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.787 8.248 -4.661 1.00 0.00 C ATOM 1261 C ASN B 26 -13.037 6.981 -3.806 1.00 0.00 C ATOM 1262 O ASN B 26 -12.138 6.546 -3.081 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.216 7.864 -6.048 1.00 0.00 C ATOM 1264 CG ASN B 26 -12.976 8.506 -7.195 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -13.697 7.851 -7.930 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -12.855 9.798 -7.381 1.00 0.00 N ATOM 0 H ASN B 26 -10.887 9.017 -4.228 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.760 8.730 -4.760 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -11.169 8.162 -6.100 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.245 6.780 -6.160 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -13.363 10.254 -8.139 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -12.253 10.347 -6.768 1.00 0.00 H new ATOM 1273 N PRO B 27 -14.197 6.304 -3.969 1.00 0.00 N ATOM 1274 CA PRO B 27 -14.474 5.002 -3.344 1.00 0.00 C ATOM 1275 C PRO B 27 -13.655 3.853 -3.959 1.00 0.00 C ATOM 1276 O PRO B 27 -13.562 2.774 -3.376 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.975 4.769 -3.551 1.00 0.00 C ATOM 1278 CG PRO B 27 -16.261 5.492 -4.865 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.333 6.704 -4.795 1.00 0.00 C ATOM 0 HA PRO B 27 -14.190 5.016 -2.292 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -16.213 3.707 -3.615 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -16.563 5.178 -2.730 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -16.041 4.864 -5.728 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -17.307 5.788 -4.944 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -15.004 7.000 -5.791 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.846 7.562 -4.361 1.00 0.00 H new ATOM 1287 N VAL B 28 -13.047 4.068 -5.129 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.240 3.060 -5.834 1.00 0.00 C ATOM 1289 C VAL B 28 -10.955 2.728 -5.076 1.00 0.00 C ATOM 1290 O VAL B 28 -10.605 1.555 -4.946 1.00 0.00 O ATOM 1291 CB VAL B 28 -11.948 3.510 -7.274 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -11.542 2.301 -8.101 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -13.149 4.142 -7.997 1.00 0.00 C ATOM 0 H VAL B 28 -13.100 4.959 -5.623 1.00 0.00 H new ATOM 0 HA VAL B 28 -12.823 2.140 -5.880 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.165 4.263 -7.188 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.333 2.614 -9.124 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.649 1.849 -7.670 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -12.353 1.572 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.855 4.431 -9.006 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -13.964 3.420 -8.049 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -13.480 5.024 -7.449 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.297 3.722 -4.469 1.00 0.00 N ATOM 1304 CA LEU B 29 -9.155 3.505 -3.583 1.00 0.00 C ATOM 1305 C LEU B 29 -9.513 2.585 -2.397 1.00 0.00 C ATOM 1306 O LEU B 29 -8.715 1.721 -2.035 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.617 4.885 -3.149 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.695 5.573 -4.169 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -6.330 4.900 -4.214 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -8.230 5.639 -5.595 1.00 0.00 C ATOM 0 H LEU B 29 -10.546 4.705 -4.581 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.363 2.973 -4.111 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -9.464 5.541 -2.947 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -8.073 4.768 -2.212 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.629 6.598 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -5.698 5.407 -4.944 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -5.864 4.956 -3.230 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -6.449 3.855 -4.501 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -7.504 6.143 -6.233 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -8.400 4.629 -5.967 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -9.169 6.193 -5.606 1.00 0.00 H new ATOM 1322 N ALA B 30 -10.745 2.677 -1.882 1.00 0.00 N ATOM 1323 CA ALA B 30 -11.302 1.794 -0.849 1.00 0.00 C ATOM 1324 C ALA B 30 -11.683 0.369 -1.334 1.00 0.00 C ATOM 1325 O ALA B 30 -12.204 -0.418 -0.542 1.00 0.00 O ATOM 1326 CB ALA B 30 -12.487 2.510 -0.182 1.00 0.00 C ATOM 0 H ALA B 30 -11.405 3.394 -2.184 1.00 0.00 H new ATOM 0 HA ALA B 30 -10.509 1.608 -0.125 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -12.913 1.868 0.589 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -12.142 3.440 0.270 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -13.247 2.731 -0.931 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.393 0.005 -2.595 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.420 -1.373 -3.113 1.00 0.00 C ATOM 1334 C LYS B 31 -10.047 -1.853 -3.571 1.00 0.00 C ATOM 1335 O LYS B 31 -9.667 -2.973 -3.242 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.433 -1.534 -4.262 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.883 -1.225 -3.862 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.855 -1.727 -4.939 1.00 0.00 C ATOM 1339 CE LYS B 31 -16.298 -1.355 -4.572 1.00 0.00 C ATOM 1340 NZ LYS B 31 -17.279 -1.979 -5.499 1.00 0.00 N ATOM 0 H LYS B 31 -11.124 0.686 -3.306 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.735 -1.996 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.145 -0.876 -5.082 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.380 -2.555 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.112 -1.699 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -14.007 -0.151 -3.723 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.595 -1.292 -5.904 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.766 -2.808 -5.042 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.508 -1.674 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.412 -0.271 -4.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -18.243 -1.705 -5.220 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -17.094 -1.655 -6.470 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -17.187 -3.014 -5.456 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.279 -1.001 -4.255 1.00 0.00 N ATOM 1355 CA ILE B 32 -7.943 -1.361 -4.765 1.00 0.00 C ATOM 1356 C ILE B 32 -7.015 -1.716 -3.603 1.00 0.00 C ATOM 1357 O ILE B 32 -6.637 -2.877 -3.448 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.325 -0.243 -5.631 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.180 0.218 -6.827 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.000 -0.772 -6.194 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.811 1.653 -7.242 1.00 0.00 C ATOM 0 H ILE B 32 -9.559 -0.045 -4.473 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.063 -2.232 -5.409 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.222 0.623 -4.977 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.031 -0.458 -7.669 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.237 0.171 -6.564 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.535 -0.004 -6.813 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.332 -1.029 -5.372 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.190 -1.659 -6.798 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.427 1.957 -8.088 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -7.984 2.330 -6.405 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.760 1.690 -7.527 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.688 -0.739 -2.750 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.780 -0.967 -1.625 1.00 0.00 C ATOM 1375 C LEU B 33 -6.392 -1.905 -0.581 1.00 0.00 C ATOM 1376 O LEU B 33 -5.662 -2.620 0.101 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.266 0.374 -1.070 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.128 1.070 0.000 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -5.769 0.620 1.420 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -5.942 2.586 -0.040 1.00 0.00 C ATOM 0 H LEU B 33 -7.039 0.216 -2.819 1.00 0.00 H new ATOM 0 HA LEU B 33 -4.897 -1.500 -1.977 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.274 0.208 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -5.146 1.062 -1.907 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.157 0.793 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -6.404 1.139 2.138 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -5.923 -0.455 1.511 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -4.724 0.856 1.623 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.563 3.049 0.727 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -4.896 2.829 0.145 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.234 2.963 -1.020 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.727 -1.951 -0.499 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.421 -2.900 0.368 1.00 0.00 C ATOM 1394 C GLU B 34 -8.157 -4.357 -0.050 1.00 0.00 C ATOM 1395 O GLU B 34 -7.988 -5.219 0.815 1.00 0.00 O ATOM 1396 CB GLU B 34 -9.921 -2.579 0.447 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.625 -3.424 1.519 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.060 -2.938 1.801 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.240 -2.037 2.659 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -13.022 -3.495 1.218 1.00 0.00 O ATOM 0 H GLU B 34 -8.347 -1.337 -1.027 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.014 -2.791 1.373 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.056 -1.521 0.671 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.384 -2.761 -0.523 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.654 -4.465 1.197 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.045 -3.392 2.442 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.039 -4.646 -1.353 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.657 -5.978 -1.811 1.00 0.00 C ATOM 1409 C ASP B 35 -6.156 -6.264 -1.695 1.00 0.00 C ATOM 1410 O ASP B 35 -5.776 -7.343 -1.244 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.063 -6.175 -3.262 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.562 -6.142 -3.590 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.402 -6.506 -2.729 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.872 -5.804 -4.758 1.00 0.00 O ATOM 0 H ASP B 35 -8.203 -3.974 -2.102 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.181 -6.672 -1.153 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.572 -5.404 -3.856 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.667 -7.135 -3.595 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.279 -5.317 -2.041 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.833 -5.489 -1.848 1.00 0.00 C ATOM 1421 C GLU B 36 -3.468 -5.777 -0.373 1.00 0.00 C ATOM 1422 O GLU B 36 -2.468 -6.442 -0.104 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.080 -4.249 -2.365 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.349 -3.780 -3.810 1.00 0.00 C ATOM 1425 CD GLU B 36 -2.873 -4.722 -4.919 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -2.779 -5.953 -4.720 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -2.610 -4.294 -6.076 1.00 0.00 O ATOM 0 H GLU B 36 -5.543 -4.423 -2.456 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.526 -6.361 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.310 -3.418 -1.698 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -2.012 -4.446 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.422 -3.625 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.870 -2.811 -3.952 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.310 -5.364 0.584 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.116 -5.621 2.020 1.00 0.00 C ATOM 1436 C GLU B 37 -4.284 -7.110 2.385 1.00 0.00 C ATOM 1437 O GLU B 37 -3.601 -7.618 3.280 1.00 0.00 O ATOM 1438 CB GLU B 37 -5.103 -4.759 2.825 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.742 -4.671 4.313 1.00 0.00 C ATOM 1440 CD GLU B 37 -5.726 -3.758 5.068 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -5.510 -2.522 5.097 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -6.711 -4.272 5.654 1.00 0.00 O ATOM 0 H GLU B 37 -5.158 -4.834 0.381 1.00 0.00 H new ATOM 0 HA GLU B 37 -3.090 -5.353 2.271 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -5.129 -3.755 2.402 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -6.106 -5.173 2.723 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -4.755 -5.668 4.753 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -3.728 -4.287 4.422 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.162 -7.819 1.664 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.457 -9.252 1.844 1.00 0.00 C ATOM 1451 C LYS B 38 -4.692 -10.153 0.879 1.00 0.00 C ATOM 1452 O LYS B 38 -4.369 -11.275 1.249 1.00 0.00 O ATOM 1453 CB LYS B 38 -6.984 -9.474 1.832 1.00 0.00 C ATOM 1454 CG LYS B 38 -7.721 -9.093 0.547 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.232 -9.303 0.712 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.955 -8.918 -0.582 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.427 -9.085 -0.467 1.00 0.00 N ATOM 0 H LYS B 38 -5.707 -7.398 0.912 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.087 -9.557 2.823 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.177 -10.527 2.036 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -7.417 -8.905 2.655 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -7.518 -8.051 0.299 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.353 -9.696 -0.283 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.439 -10.344 0.958 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -9.604 -8.700 1.540 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.726 -7.882 -0.831 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.583 -9.533 -1.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.878 -8.814 -1.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.648 -10.079 -0.255 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.786 -8.479 0.298 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.294 -9.650 -0.291 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.504 -10.345 -1.302 1.00 0.00 C ATOM 1473 C HIS B 39 -2.185 -10.937 -0.799 1.00 0.00 C ATOM 1474 O HIS B 39 -1.891 -12.091 -1.098 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.197 -9.326 -2.386 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.249 -9.129 -3.428 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -3.984 -8.533 -4.661 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.563 -9.482 -3.354 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.172 -8.542 -5.306 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.128 -9.112 -4.549 1.00 0.00 N ATOM 0 H HIS B 39 -4.528 -8.697 -0.571 1.00 0.00 H new ATOM 0 HA HIS B 39 -4.089 -11.197 -1.647 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -3.005 -8.365 -1.908 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.274 -9.624 -2.884 1.00 0.00 H new ATOM 0 HD1 HIS B 39 -3.093 -8.171 -5.000 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.060 -9.958 -2.522 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.333 -8.145 -6.297 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.103 -9.246 -4.817 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.382 -10.165 -0.060 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.057 -10.635 0.393 1.00 0.00 C ATOM 1490 C ILE B 40 -0.182 -11.841 1.339 1.00 0.00 C ATOM 1491 O ILE B 40 0.579 -12.801 1.218 1.00 0.00 O ATOM 1492 CB ILE B 40 0.776 -9.490 1.016 1.00 0.00 C ATOM 1493 CG1 ILE B 40 1.017 -8.388 -0.040 1.00 0.00 C ATOM 1494 CG2 ILE B 40 2.129 -10.016 1.530 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.781 -7.166 0.488 1.00 0.00 C ATOM 0 H ILE B 40 -1.618 -9.219 0.238 1.00 0.00 H new ATOM 0 HA ILE B 40 0.488 -10.975 -0.488 1.00 0.00 H new ATOM 0 HB ILE B 40 0.221 -9.077 1.858 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.572 -8.816 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.054 -8.059 -0.432 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.698 -9.194 1.964 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.958 -10.779 2.289 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.690 -10.448 0.701 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.908 -6.441 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE B 40 1.219 -6.710 1.303 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.760 -7.478 0.852 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.168 -11.841 2.242 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.463 -13.018 3.069 1.00 0.00 C ATOM 1509 C GLU B 41 -2.170 -14.126 2.279 1.00 0.00 C ATOM 1510 O GLU B 41 -1.827 -15.294 2.445 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.233 -12.626 4.339 1.00 0.00 C ATOM 1512 CG GLU B 41 -1.272 -12.006 5.367 1.00 0.00 C ATOM 1513 CD GLU B 41 -1.989 -11.625 6.676 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -2.398 -12.535 7.440 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -2.127 -10.413 6.970 1.00 0.00 O ATOM 0 H GLU B 41 -1.775 -11.041 2.419 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.508 -13.437 3.385 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.021 -11.915 4.091 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -2.718 -13.504 4.766 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -0.471 -12.712 5.585 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -0.806 -11.119 4.938 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.067 -13.786 1.350 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.668 -14.743 0.405 1.00 0.00 C ATOM 1524 C TRP B 42 -2.620 -15.588 -0.342 1.00 0.00 C ATOM 1525 O TRP B 42 -2.689 -16.817 -0.295 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.602 -13.977 -0.547 1.00 0.00 C ATOM 1527 CG TRP B 42 -5.994 -13.731 -0.066 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.497 -14.051 1.149 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.088 -13.113 -0.807 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -7.830 -13.691 1.201 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.257 -13.139 0.009 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.206 -12.547 -2.094 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.495 -12.668 -0.451 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.435 -12.040 -2.554 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.582 -12.115 -1.742 1.00 0.00 C ATOM 0 H TRP B 42 -3.403 -12.831 1.228 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.253 -15.471 0.967 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.144 -13.014 -0.771 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.659 -14.529 -1.485 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -5.943 -14.515 1.952 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.426 -13.817 2.019 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.339 -12.502 -2.736 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.371 -12.729 0.178 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.499 -11.591 -3.534 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.529 -11.748 -2.110 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.607 -14.967 -0.955 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.531 -15.683 -1.660 1.00 0.00 C ATOM 1548 C LEU B 43 0.536 -16.327 -0.746 1.00 0.00 C ATOM 1549 O LEU B 43 1.425 -17.015 -1.247 1.00 0.00 O ATOM 1550 CB LEU B 43 0.037 -14.820 -2.797 1.00 0.00 C ATOM 1551 CG LEU B 43 0.870 -13.618 -2.344 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.371 -13.903 -2.388 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.601 -12.428 -3.261 1.00 0.00 C ATOM 0 H LEU B 43 -1.507 -13.952 -0.978 1.00 0.00 H new ATOM 0 HA LEU B 43 -0.988 -16.560 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.654 -15.450 -3.437 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.791 -14.460 -3.408 1.00 0.00 H new ATOM 0 HG LEU B 43 0.579 -13.405 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU B 43 2.919 -13.020 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.602 -14.741 -1.730 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.664 -14.152 -3.408 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.196 -11.575 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU B 43 0.871 -12.689 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.457 -12.169 -3.220 1.00 0.00 H new ATOM 1565 N GLU B 44 0.435 -16.170 0.580 1.00 0.00 N ATOM 1566 CA GLU B 44 1.347 -16.785 1.559 1.00 0.00 C ATOM 1567 C GLU B 44 0.695 -17.938 2.346 1.00 0.00 C ATOM 1568 O GLU B 44 1.351 -18.955 2.572 1.00 0.00 O ATOM 1569 CB GLU B 44 1.894 -15.706 2.511 1.00 0.00 C ATOM 1570 CG GLU B 44 3.005 -16.251 3.423 1.00 0.00 C ATOM 1571 CD GLU B 44 3.528 -15.178 4.396 1.00 0.00 C ATOM 1572 OE1 GLU B 44 2.811 -14.831 5.365 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.679 -14.705 4.225 1.00 0.00 O ATOM 0 H GLU B 44 -0.294 -15.603 1.012 1.00 0.00 H new ATOM 0 HA GLU B 44 2.172 -17.229 1.002 1.00 0.00 H new ATOM 0 HB2 GLU B 44 2.281 -14.871 1.928 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.081 -15.317 3.124 1.00 0.00 H new ATOM 0 HG2 GLU B 44 2.625 -17.101 3.990 1.00 0.00 H new ATOM 0 HG3 GLU B 44 3.829 -16.619 2.811 1.00 0.00 H new ATOM 1580 N THR B 45 -0.587 -17.842 2.724 1.00 0.00 N ATOM 1581 CA THR B 45 -1.294 -18.858 3.535 1.00 0.00 C ATOM 1582 C THR B 45 -1.249 -20.266 2.921 1.00 0.00 C ATOM 1583 O THR B 45 -1.133 -21.258 3.645 1.00 0.00 O ATOM 1584 CB THR B 45 -2.743 -18.395 3.794 1.00 0.00 C ATOM 1585 OG1 THR B 45 -2.709 -17.309 4.697 1.00 0.00 O ATOM 1586 CG2 THR B 45 -3.651 -19.448 4.430 1.00 0.00 C ATOM 0 H THR B 45 -1.176 -17.047 2.474 1.00 0.00 H new ATOM 0 HA THR B 45 -0.767 -18.944 4.485 1.00 0.00 H new ATOM 0 HB THR B 45 -3.151 -18.152 2.813 1.00 0.00 H new ATOM 0 HG1 THR B 45 -2.457 -16.492 4.217 1.00 0.00 H new ATOM 0 HG21 THR B 45 -4.648 -19.030 4.573 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.713 -20.318 3.776 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.241 -19.747 5.395 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.264 -20.367 1.588 1.00 0.00 N ATOM 1595 CA ILE B 46 -1.166 -21.637 0.843 1.00 0.00 C ATOM 1596 C ILE B 46 0.168 -22.366 1.084 1.00 0.00 C ATOM 1597 O ILE B 46 0.210 -23.596 1.126 1.00 0.00 O ATOM 1598 CB ILE B 46 -1.349 -21.367 -0.669 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -2.583 -20.502 -1.001 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -1.420 -22.671 -1.483 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -3.924 -20.967 -0.415 1.00 0.00 C ATOM 0 H ILE B 46 -1.346 -19.553 0.979 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.958 -22.289 1.210 1.00 0.00 H new ATOM 0 HB ILE B 46 -0.461 -20.804 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -2.392 -19.487 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -2.683 -20.453 -2.085 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -1.549 -22.434 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.497 -23.235 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -2.264 -23.269 -1.140 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -4.712 -20.278 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -4.154 -21.967 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -3.859 -20.986 0.673 1.00 0.00 H new