USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=17 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 75:sc= 1.11 USER MOD Set 1.2: D 17 HIS : no HE2:sc= -0.308 K(o=0.8,f=-5.3!) USER MOD Set 2.1: A 15 THR OG1 : rot 72:sc= 1.19 USER MOD Set 2.2: A 18 LYS NZ :NH3+ -177:sc= -0.318 (180deg=-0.355) USER MOD Set 2.3: B 21 LYS NZ :NH3+ -169:sc= -0.0103 (180deg=-0.149) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 64:sc= 0.0678 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0982) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 HIS : no HE2:sc= 0.805 K(o=0.8,f=-3.9!) USER MOD Single : B 19 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00399) USER MOD Single : B 22 ASN : amide:sc= 1.2 K(o=1.2,f=-8.6!) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0.00587 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 LYS NZ :NH3+ -167:sc= 0.692 (180deg=0.603) USER MOD Single : C 19 CYS SG : rot 180:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ 179:sc= 0.753 (180deg=0.752) USER MOD Single : D 12 TYR OH : rot 120:sc= 0 USER MOD Single : D 15 GLN : amide:sc= 0.869 K(o=0.87,f=-0.024) USER MOD Single : D 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 21 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0352) USER MOD Single : D 22 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -2.899 6.876 7.122 1.00 10.00 N ATOM 88 CA PRO A 6 -4.278 7.227 6.774 1.00 10.00 C ATOM 89 C PRO A 6 -5.273 6.093 7.066 1.00 10.00 C ATOM 90 O PRO A 6 -4.874 4.932 7.159 1.00 10.00 O ATOM 91 CB PRO A 6 -4.234 7.566 5.280 1.00 10.00 C ATOM 92 CG PRO A 6 -3.081 6.708 4.773 1.00 10.00 C ATOM 93 CD PRO A 6 -2.080 6.813 5.923 1.00 10.00 C ATOM 0 HA PRO A 6 -4.634 8.062 7.378 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -5.171 7.319 4.781 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -4.053 8.628 5.111 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -3.388 5.678 4.591 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -2.670 7.088 3.838 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -1.411 5.953 5.945 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -1.455 7.700 5.824 1.00 10.00 H new ATOM 101 N PRO A 7 -6.580 6.395 7.166 1.00 10.00 N ATOM 102 CA PRO A 7 -7.620 5.395 7.397 1.00 10.00 C ATOM 103 C PRO A 7 -7.662 4.322 6.301 1.00 10.00 C ATOM 104 O PRO A 7 -8.103 3.204 6.554 1.00 10.00 O ATOM 105 CB PRO A 7 -8.931 6.178 7.513 1.00 10.00 C ATOM 106 CG PRO A 7 -8.650 7.458 6.727 1.00 10.00 C ATOM 107 CD PRO A 7 -7.172 7.714 7.019 1.00 10.00 C ATOM 0 HA PRO A 7 -7.424 4.828 8.307 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -9.769 5.623 7.091 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -9.181 6.391 8.552 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -8.835 7.327 5.661 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -9.278 8.284 7.061 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -6.701 8.269 6.208 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -7.046 8.306 7.926 1.00 10.00 H new ATOM 115 N GLY A 8 -7.147 4.624 5.103 1.00 10.00 N ATOM 116 CA GLY A 8 -6.850 3.620 4.084 1.00 10.00 C ATOM 117 C GLY A 8 -6.066 2.422 4.643 1.00 10.00 C ATOM 118 O GLY A 8 -6.394 1.277 4.344 1.00 10.00 O ATOM 0 H GLY A 8 -6.925 5.577 4.816 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -7.783 3.266 3.646 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.276 4.082 3.281 1.00 10.00 H new ATOM 122 N PHE A 9 -5.056 2.670 5.489 1.00 10.00 N ATOM 123 CA PHE A 9 -4.338 1.599 6.177 1.00 10.00 C ATOM 124 C PHE A 9 -5.269 0.810 7.101 1.00 10.00 C ATOM 125 O PHE A 9 -5.307 -0.415 7.032 1.00 10.00 O ATOM 126 CB PHE A 9 -3.152 2.164 6.963 1.00 10.00 C ATOM 127 CG PHE A 9 -2.484 1.157 7.882 1.00 10.00 C ATOM 128 CD1 PHE A 9 -2.006 -0.058 7.361 1.00 10.00 C ATOM 129 CD2 PHE A 9 -2.479 1.367 9.275 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.503 -1.048 8.223 1.00 10.00 C ATOM 131 CE2 PHE A 9 -1.962 0.384 10.135 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.469 -0.823 9.610 1.00 10.00 C ATOM 0 H PHE A 9 -4.721 3.607 5.711 1.00 10.00 H new ATOM 0 HA PHE A 9 -3.958 0.913 5.420 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -2.412 2.545 6.260 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -3.494 3.012 7.557 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.025 -0.231 6.295 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -2.874 2.286 9.683 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -1.142 -1.982 7.819 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -1.943 0.556 11.201 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.065 -1.576 10.271 1.00 10.00 H new ATOM 142 N THR A 10 -6.038 1.502 7.949 1.00 10.00 N ATOM 143 CA THR A 10 -7.027 0.870 8.822 1.00 10.00 C ATOM 144 C THR A 10 -7.946 -0.073 8.025 1.00 10.00 C ATOM 145 O THR A 10 -8.093 -1.248 8.362 1.00 10.00 O ATOM 146 CB THR A 10 -7.835 1.938 9.584 1.00 10.00 C ATOM 147 OG1 THR A 10 -6.982 2.899 10.184 1.00 10.00 O ATOM 148 CG2 THR A 10 -8.667 1.283 10.687 1.00 10.00 C ATOM 0 H THR A 10 -5.990 2.516 8.048 1.00 10.00 H new ATOM 0 HA THR A 10 -6.499 0.262 9.557 1.00 10.00 H new ATOM 0 HB THR A 10 -8.483 2.432 8.860 1.00 10.00 H new ATOM 0 HG1 THR A 10 -7.522 3.565 10.659 1.00 10.00 H new ATOM 0 HG21 THR A 10 -9.233 2.048 11.218 1.00 10.00 H new ATOM 0 HG22 THR A 10 -9.356 0.563 10.244 1.00 10.00 H new ATOM 0 HG23 THR A 10 -8.006 0.770 11.386 1.00 10.00 H new ATOM 156 N ALA A 11 -8.538 0.429 6.935 1.00 10.00 N ATOM 157 CA ALA A 11 -9.353 -0.364 6.018 1.00 10.00 C ATOM 158 C ALA A 11 -8.580 -1.564 5.447 1.00 10.00 C ATOM 159 O ALA A 11 -9.045 -2.702 5.527 1.00 10.00 O ATOM 160 CB ALA A 11 -9.881 0.542 4.902 1.00 10.00 C ATOM 0 H ALA A 11 -8.461 1.410 6.665 1.00 10.00 H new ATOM 0 HA ALA A 11 -10.194 -0.780 6.573 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.490 -0.045 4.214 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.487 1.337 5.335 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -9.042 0.979 4.361 1.00 10.00 H new ATOM 166 N LEU A 12 -7.391 -1.322 4.886 1.00 10.00 N ATOM 167 CA LEU A 12 -6.513 -2.355 4.343 1.00 10.00 C ATOM 168 C LEU A 12 -6.259 -3.474 5.358 1.00 10.00 C ATOM 169 O LEU A 12 -6.534 -4.640 5.078 1.00 10.00 O ATOM 170 CB LEU A 12 -5.218 -1.689 3.846 1.00 10.00 C ATOM 171 CG LEU A 12 -4.279 -2.600 3.038 1.00 10.00 C ATOM 172 CD1 LEU A 12 -3.337 -1.714 2.218 1.00 10.00 C ATOM 173 CD2 LEU A 12 -3.417 -3.522 3.914 1.00 10.00 C ATOM 0 H LEU A 12 -7.007 -0.381 4.796 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.996 -2.843 3.496 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -5.484 -0.831 3.229 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.672 -1.305 4.708 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.908 -3.235 2.415 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -2.661 -2.341 1.637 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.921 -1.088 1.544 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.757 -1.081 2.889 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.779 -4.136 3.278 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.796 -2.919 4.576 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -4.063 -4.166 4.510 1.00 10.00 H new ATOM 185 N ILE A 13 -5.750 -3.145 6.548 1.00 10.00 N ATOM 186 CA ILE A 13 -5.413 -4.159 7.540 1.00 10.00 C ATOM 187 C ILE A 13 -6.655 -4.857 8.115 1.00 10.00 C ATOM 188 O ILE A 13 -6.627 -6.068 8.320 1.00 10.00 O ATOM 189 CB ILE A 13 -4.450 -3.603 8.601 1.00 10.00 C ATOM 190 CG1 ILE A 13 -3.713 -4.737 9.335 1.00 10.00 C ATOM 191 CG2 ILE A 13 -5.172 -2.710 9.616 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.629 -5.412 8.485 1.00 10.00 C ATOM 0 H ILE A 13 -5.564 -2.187 6.844 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.868 -4.955 7.033 1.00 10.00 H new ATOM 0 HB ILE A 13 -3.719 -2.993 8.070 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -3.257 -4.337 10.241 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -4.438 -5.488 9.648 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -4.455 -2.338 10.348 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -5.632 -1.868 9.098 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -5.943 -3.288 10.125 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -2.151 -6.201 9.065 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -3.082 -5.842 7.592 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -1.883 -4.673 8.193 1.00 10.00 H new ATOM 204 N LYS A 14 -7.775 -4.148 8.312 1.00 10.00 N ATOM 205 CA LYS A 14 -9.049 -4.814 8.598 1.00 10.00 C ATOM 206 C LYS A 14 -9.429 -5.806 7.486 1.00 10.00 C ATOM 207 O LYS A 14 -9.864 -6.925 7.756 1.00 10.00 O ATOM 208 CB LYS A 14 -10.157 -3.778 8.822 1.00 10.00 C ATOM 209 CG LYS A 14 -10.013 -3.111 10.196 1.00 10.00 C ATOM 210 CD LYS A 14 -11.104 -2.051 10.378 1.00 10.00 C ATOM 211 CE LYS A 14 -11.033 -1.466 11.792 1.00 10.00 C ATOM 212 NZ LYS A 14 -12.027 -0.394 11.970 1.00 10.00 N ATOM 0 H LYS A 14 -7.824 -3.130 8.279 1.00 10.00 H new ATOM 0 HA LYS A 14 -8.930 -5.390 9.515 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -10.116 -3.020 8.039 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -11.132 -4.260 8.748 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -10.087 -3.861 10.984 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -9.029 -2.651 10.285 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -10.979 -1.258 9.641 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -12.085 -2.494 10.207 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.208 -2.254 12.525 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -10.033 -1.074 11.978 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -11.959 -0.014 12.936 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.844 0.367 11.285 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -12.982 -0.777 11.815 1.00 10.00 H new ATOM 226 N THR A 15 -9.245 -5.422 6.221 1.00 10.00 N ATOM 227 CA THR A 15 -9.462 -6.325 5.091 1.00 10.00 C ATOM 228 C THR A 15 -8.510 -7.530 5.132 1.00 10.00 C ATOM 229 O THR A 15 -8.936 -8.661 4.920 1.00 10.00 O ATOM 230 CB THR A 15 -9.401 -5.571 3.758 1.00 10.00 C ATOM 231 OG1 THR A 15 -10.273 -4.458 3.783 1.00 10.00 O ATOM 232 CG2 THR A 15 -9.884 -6.459 2.620 1.00 10.00 C ATOM 0 H THR A 15 -8.944 -4.485 5.953 1.00 10.00 H new ATOM 0 HA THR A 15 -10.470 -6.730 5.179 1.00 10.00 H new ATOM 0 HB THR A 15 -8.366 -5.264 3.609 1.00 10.00 H new ATOM 0 HG1 THR A 15 -9.906 -3.768 4.374 1.00 10.00 H new ATOM 0 HG21 THR A 15 -9.834 -5.907 1.681 1.00 10.00 H new ATOM 0 HG22 THR A 15 -9.251 -7.344 2.555 1.00 10.00 H new ATOM 0 HG23 THR A 15 -10.914 -6.763 2.808 1.00 10.00 H new ATOM 240 N LEU A 16 -7.232 -7.321 5.455 1.00 10.00 N ATOM 241 CA LEU A 16 -6.278 -8.409 5.674 1.00 10.00 C ATOM 242 C LEU A 16 -6.731 -9.344 6.813 1.00 10.00 C ATOM 243 O LEU A 16 -6.728 -10.565 6.667 1.00 10.00 O ATOM 244 CB LEU A 16 -4.880 -7.813 5.894 1.00 10.00 C ATOM 245 CG LEU A 16 -3.749 -8.853 5.798 1.00 10.00 C ATOM 246 CD1 LEU A 16 -2.492 -8.207 5.202 1.00 10.00 C ATOM 247 CD2 LEU A 16 -3.397 -9.425 7.176 1.00 10.00 C ATOM 0 H LEU A 16 -6.829 -6.391 5.572 1.00 10.00 H new ATOM 0 HA LEU A 16 -6.235 -9.044 4.789 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.707 -7.030 5.156 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.846 -7.339 6.875 1.00 10.00 H new ATOM 0 HG LEU A 16 -4.101 -9.662 5.158 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.697 -8.950 5.138 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.716 -7.828 4.205 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.169 -7.384 5.839 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -2.595 -10.156 7.072 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -3.070 -8.618 7.832 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -4.275 -9.908 7.605 1.00 10.00 H new ATOM 259 N ARG A 17 -7.175 -8.784 7.941 1.00 10.00 N ATOM 260 CA ARG A 17 -7.815 -9.555 9.006 1.00 10.00 C ATOM 261 C ARG A 17 -9.013 -10.363 8.481 1.00 10.00 C ATOM 262 O ARG A 17 -9.180 -11.526 8.844 1.00 10.00 O ATOM 263 CB ARG A 17 -8.165 -8.625 10.178 1.00 10.00 C ATOM 264 CG ARG A 17 -8.974 -9.325 11.280 1.00 10.00 C ATOM 265 CD ARG A 17 -10.479 -9.079 11.102 1.00 10.00 C ATOM 266 NE ARG A 17 -11.268 -9.932 12.001 1.00 10.00 N ATOM 267 CZ ARG A 17 -11.642 -11.192 11.746 1.00 10.00 C ATOM 268 NH1 ARG A 17 -11.226 -11.844 10.666 1.00 10.00 N ATOM 269 NH2 ARG A 17 -12.448 -11.828 12.589 1.00 10.00 N ATOM 0 H ARG A 17 -7.101 -7.786 8.140 1.00 10.00 H new ATOM 0 HA ARG A 17 -7.115 -10.301 9.383 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -7.245 -8.228 10.607 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.734 -7.775 9.802 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -8.772 -10.396 11.259 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -8.656 -8.960 12.257 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -10.705 -8.031 11.300 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -10.762 -9.276 10.068 1.00 10.00 H new ATOM 0 HE ARG A 17 -11.555 -9.531 12.894 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -10.603 -11.385 10.002 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -11.530 -12.804 10.501 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -12.781 -11.356 13.430 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -12.733 -12.788 12.396 1.00 10.00 H new ATOM 283 N LYS A 18 -9.853 -9.784 7.617 1.00 10.00 N ATOM 284 CA LYS A 18 -10.917 -10.548 6.962 1.00 10.00 C ATOM 285 C LYS A 18 -10.362 -11.681 6.075 1.00 10.00 C ATOM 286 O LYS A 18 -10.809 -12.820 6.214 1.00 10.00 O ATOM 287 CB LYS A 18 -11.891 -9.614 6.229 1.00 10.00 C ATOM 288 CG LYS A 18 -12.747 -8.831 7.238 1.00 10.00 C ATOM 289 CD LYS A 18 -13.884 -8.045 6.564 1.00 10.00 C ATOM 290 CE LYS A 18 -13.397 -6.894 5.675 1.00 10.00 C ATOM 291 NZ LYS A 18 -12.648 -5.889 6.451 1.00 10.00 N ATOM 0 H LYS A 18 -9.817 -8.798 7.357 1.00 10.00 H new ATOM 0 HA LYS A 18 -11.495 -11.053 7.736 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.334 -8.920 5.599 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -12.536 -10.196 5.570 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -13.171 -9.524 7.965 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -12.110 -8.140 7.790 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -14.480 -8.731 5.961 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -14.542 -7.643 7.334 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -12.762 -7.289 4.882 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -14.251 -6.419 5.193 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -12.378 -5.101 5.829 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -13.245 -5.531 7.224 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -11.792 -6.325 6.849 1.00 10.00 H new ATOM 305 N CYS A 19 -9.368 -11.420 5.214 1.00 10.00 N ATOM 306 CA CYS A 19 -8.662 -12.459 4.446 1.00 10.00 C ATOM 307 C CYS A 19 -8.206 -13.622 5.341 1.00 10.00 C ATOM 308 O CYS A 19 -8.397 -14.785 4.998 1.00 10.00 O ATOM 309 CB CYS A 19 -7.436 -11.880 3.725 1.00 10.00 C ATOM 310 SG CYS A 19 -7.724 -10.641 2.449 1.00 10.00 S ATOM 0 H CYS A 19 -9.028 -10.476 5.029 1.00 10.00 H new ATOM 0 HA CYS A 19 -9.374 -12.836 3.712 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -6.781 -11.441 4.477 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -6.891 -12.708 3.272 1.00 10.00 H new ATOM 0 HG CYS A 19 -8.245 -9.578 2.986 1.00 10.00 H new ATOM 315 N LYS A 20 -7.611 -13.308 6.497 1.00 10.00 N ATOM 316 CA LYS A 20 -7.168 -14.307 7.471 1.00 10.00 C ATOM 317 C LYS A 20 -8.309 -15.124 8.106 1.00 10.00 C ATOM 318 O LYS A 20 -8.028 -16.120 8.773 1.00 10.00 O ATOM 319 CB LYS A 20 -6.334 -13.630 8.569 1.00 10.00 C ATOM 320 CG LYS A 20 -4.971 -13.152 8.054 1.00 10.00 C ATOM 321 CD LYS A 20 -4.198 -12.375 9.130 1.00 10.00 C ATOM 322 CE LYS A 20 -3.879 -13.232 10.360 1.00 10.00 C ATOM 323 NZ LYS A 20 -2.990 -12.510 11.288 1.00 10.00 N ATOM 0 H LYS A 20 -7.423 -12.347 6.783 1.00 10.00 H new ATOM 0 HA LYS A 20 -6.564 -15.023 6.914 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -6.887 -12.780 8.970 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -6.184 -14.329 9.391 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -4.382 -14.011 7.732 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -5.115 -12.518 7.179 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -3.269 -11.998 8.703 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -4.783 -11.508 9.437 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -4.804 -13.501 10.871 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -3.406 -14.163 10.047 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -2.788 -13.110 12.113 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -2.100 -12.276 10.804 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -3.454 -11.634 11.603 1.00 10.00 H new ATOM 337 N ILE A 21 -9.577 -14.721 7.950 1.00 10.00 N ATOM 338 CA ILE A 21 -10.755 -15.345 8.564 1.00 10.00 C ATOM 339 C ILE A 21 -10.805 -15.101 10.083 1.00 10.00 C ATOM 340 O ILE A 21 -11.761 -14.508 10.582 1.00 10.00 O ATOM 341 CB ILE A 21 -10.897 -16.840 8.198 1.00 10.00 C ATOM 342 CG1 ILE A 21 -10.711 -17.130 6.696 1.00 10.00 C ATOM 343 CG2 ILE A 21 -12.253 -17.375 8.680 1.00 10.00 C ATOM 344 CD1 ILE A 21 -11.676 -16.379 5.774 1.00 10.00 C ATOM 0 H ILE A 21 -9.819 -13.919 7.369 1.00 10.00 H new ATOM 0 HA ILE A 21 -11.628 -14.851 8.137 1.00 10.00 H new ATOM 0 HB ILE A 21 -10.087 -17.360 8.710 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -9.689 -16.875 6.415 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -10.830 -18.201 6.529 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -12.343 -18.429 8.417 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -12.324 -17.264 9.762 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -13.056 -16.813 8.204 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -11.470 -16.646 4.737 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -12.702 -16.651 6.022 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -11.543 -15.305 5.906 1.00 10.00 H new ATOM 356 N ILE A 22 -9.771 -15.516 10.818 1.00 10.00 N ATOM 357 CA ILE A 22 -9.590 -15.191 12.234 1.00 10.00 C ATOM 358 C ILE A 22 -9.163 -13.726 12.438 1.00 10.00 C ATOM 359 O ILE A 22 -9.609 -13.142 13.449 1.00 10.00 O ATOM 360 CB ILE A 22 -8.603 -16.184 12.881 1.00 10.00 C ATOM 361 CG1 ILE A 22 -8.653 -16.061 14.415 1.00 10.00 C ATOM 362 CG2 ILE A 22 -7.168 -16.003 12.362 1.00 10.00 C ATOM 363 CD1 ILE A 22 -7.881 -17.178 15.124 1.00 10.00 C ATOM 364 OXT ILE A 22 -8.388 -13.222 11.593 1.00 10.00 O ATOM 0 H ILE A 22 -9.023 -16.097 10.439 1.00 10.00 H new ATOM 0 HA ILE A 22 -10.551 -15.295 12.737 1.00 10.00 H new ATOM 0 HB ILE A 22 -8.915 -17.189 12.596 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -8.242 -15.096 14.711 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -9.692 -16.079 14.743 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -6.512 -16.725 12.848 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -7.148 -16.162 11.284 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -6.825 -14.993 12.586 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -7.951 -17.040 16.203 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -8.308 -18.144 14.853 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -6.834 -17.146 14.821 1.00 10.00 H new ATOM 465 N ILE B 7 2.017 9.018 -6.478 1.00 10.00 N ATOM 466 CA ILE B 7 1.066 8.297 -7.328 1.00 10.00 C ATOM 467 C ILE B 7 1.349 6.787 -7.365 1.00 10.00 C ATOM 468 O ILE B 7 0.420 5.992 -7.243 1.00 10.00 O ATOM 469 CB ILE B 7 0.921 8.931 -8.725 1.00 10.00 C ATOM 470 CG1 ILE B 7 2.190 8.770 -9.576 1.00 10.00 C ATOM 471 CG2 ILE B 7 0.499 10.402 -8.586 1.00 10.00 C ATOM 472 CD1 ILE B 7 2.100 9.466 -10.937 1.00 10.00 C ATOM 0 HA ILE B 7 0.086 8.402 -6.863 1.00 10.00 H new ATOM 0 HB ILE B 7 0.138 8.396 -9.263 1.00 10.00 H new ATOM 0 HG12 ILE B 7 3.041 9.172 -9.026 1.00 10.00 H new ATOM 0 HG13 ILE B 7 2.383 7.708 -9.731 1.00 10.00 H new ATOM 0 HG21 ILE B 7 0.398 10.847 -9.576 1.00 10.00 H new ATOM 0 HG22 ILE B 7 -0.456 10.459 -8.063 1.00 10.00 H new ATOM 0 HG23 ILE B 7 1.255 10.946 -8.020 1.00 10.00 H new ATOM 0 HD11 ILE B 7 3.029 9.313 -11.486 1.00 10.00 H new ATOM 0 HD12 ILE B 7 1.269 9.048 -11.505 1.00 10.00 H new ATOM 0 HD13 ILE B 7 1.938 10.534 -10.790 1.00 10.00 H new ATOM 484 N GLU B 8 2.618 6.373 -7.485 1.00 10.00 N ATOM 485 CA GLU B 8 2.972 4.955 -7.505 1.00 10.00 C ATOM 486 C GLU B 8 2.641 4.263 -6.172 1.00 10.00 C ATOM 487 O GLU B 8 2.022 3.201 -6.146 1.00 10.00 O ATOM 488 CB GLU B 8 4.452 4.810 -7.887 1.00 10.00 C ATOM 489 CG GLU B 8 4.862 3.339 -8.087 1.00 10.00 C ATOM 490 CD GLU B 8 4.072 2.650 -9.198 1.00 10.00 C ATOM 491 OE1 GLU B 8 4.300 3.022 -10.369 1.00 10.00 O ATOM 492 OE2 GLU B 8 3.249 1.771 -8.859 1.00 10.00 O ATOM 0 H GLU B 8 3.415 7.005 -7.570 1.00 10.00 H new ATOM 0 HA GLU B 8 2.368 4.448 -8.258 1.00 10.00 H new ATOM 0 HB2 GLU B 8 4.645 5.367 -8.804 1.00 10.00 H new ATOM 0 HB3 GLU B 8 5.071 5.255 -7.108 1.00 10.00 H new ATOM 0 HG2 GLU B 8 5.926 3.292 -8.321 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.716 2.796 -7.153 1.00 10.00 H new ATOM 499 N ALA B 9 3.028 4.871 -5.050 1.00 10.00 N ATOM 500 CA ALA B 9 2.707 4.370 -3.718 1.00 10.00 C ATOM 501 C ALA B 9 1.190 4.291 -3.493 1.00 10.00 C ATOM 502 O ALA B 9 0.689 3.292 -2.980 1.00 10.00 O ATOM 503 CB ALA B 9 3.377 5.264 -2.679 1.00 10.00 C ATOM 0 H ALA B 9 3.577 5.731 -5.043 1.00 10.00 H new ATOM 0 HA ALA B 9 3.088 3.353 -3.619 1.00 10.00 H new ATOM 0 HB1 ALA B 9 3.143 4.898 -1.679 1.00 10.00 H new ATOM 0 HB2 ALA B 9 4.457 5.249 -2.828 1.00 10.00 H new ATOM 0 HB3 ALA B 9 3.010 6.285 -2.787 1.00 10.00 H new ATOM 509 N ARG B 10 0.448 5.331 -3.884 1.00 10.00 N ATOM 510 CA ARG B 10 -1.012 5.347 -3.806 1.00 10.00 C ATOM 511 C ARG B 10 -1.636 4.233 -4.661 1.00 10.00 C ATOM 512 O ARG B 10 -2.491 3.486 -4.187 1.00 10.00 O ATOM 513 CB ARG B 10 -1.519 6.737 -4.206 1.00 10.00 C ATOM 514 CG ARG B 10 -2.994 6.922 -3.840 1.00 10.00 C ATOM 515 CD ARG B 10 -3.446 8.341 -4.205 1.00 10.00 C ATOM 516 NE ARG B 10 -4.681 8.703 -3.491 1.00 10.00 N ATOM 517 CZ ARG B 10 -4.742 9.076 -2.207 1.00 10.00 C ATOM 518 NH1 ARG B 10 -3.650 9.100 -1.448 1.00 10.00 N ATOM 519 NH2 ARG B 10 -5.904 9.430 -1.669 1.00 10.00 N ATOM 0 H ARG B 10 0.847 6.189 -4.265 1.00 10.00 H new ATOM 0 HA ARG B 10 -1.320 5.146 -2.780 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -0.921 7.501 -3.709 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -1.389 6.878 -5.279 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -3.604 6.189 -4.368 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -3.138 6.748 -2.774 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -2.658 9.052 -3.958 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -3.611 8.408 -5.280 1.00 10.00 H new ATOM 0 HE ARG B 10 -5.556 8.667 -4.014 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -2.749 8.832 -1.843 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -3.714 9.387 -0.471 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -6.753 9.418 -2.235 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -5.947 9.714 -0.690 1.00 10.00 H new ATOM 533 N LYS B 11 -1.188 4.099 -5.915 1.00 10.00 N ATOM 534 CA LYS B 11 -1.554 2.998 -6.800 1.00 10.00 C ATOM 535 C LYS B 11 -1.310 1.640 -6.127 1.00 10.00 C ATOM 536 O LYS B 11 -2.224 0.823 -6.046 1.00 10.00 O ATOM 537 CB LYS B 11 -0.788 3.147 -8.123 1.00 10.00 C ATOM 538 CG LYS B 11 -1.002 1.972 -9.085 1.00 10.00 C ATOM 539 CD LYS B 11 -0.229 2.246 -10.382 1.00 10.00 C ATOM 540 CE LYS B 11 -0.304 1.060 -11.349 1.00 10.00 C ATOM 541 NZ LYS B 11 0.440 -0.105 -10.834 1.00 10.00 N ATOM 0 H LYS B 11 -0.550 4.767 -6.346 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.622 3.037 -7.016 1.00 10.00 H new ATOM 0 HB2 LYS B 11 -1.099 4.070 -8.613 1.00 10.00 H new ATOM 0 HB3 LYS B 11 0.277 3.243 -7.909 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -0.657 1.044 -8.629 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -2.064 1.847 -9.298 1.00 10.00 H new ATOM 0 HD2 LYS B 11 -0.633 3.135 -10.865 1.00 10.00 H new ATOM 0 HD3 LYS B 11 0.814 2.458 -10.146 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -1.347 0.785 -11.509 1.00 10.00 H new ATOM 0 HE3 LYS B 11 0.101 1.353 -12.318 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 0.513 -0.827 -11.579 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 1.394 0.192 -10.545 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 -0.062 -0.503 -10.015 1.00 10.00 H new ATOM 555 N TYR B 12 -0.095 1.397 -5.624 1.00 10.00 N ATOM 556 CA TYR B 12 0.237 0.182 -4.881 1.00 10.00 C ATOM 557 C TYR B 12 -0.710 -0.048 -3.692 1.00 10.00 C ATOM 558 O TYR B 12 -1.288 -1.124 -3.560 1.00 10.00 O ATOM 559 CB TYR B 12 1.700 0.236 -4.426 1.00 10.00 C ATOM 560 CG TYR B 12 2.102 -0.939 -3.556 1.00 10.00 C ATOM 561 CD1 TYR B 12 2.366 -2.189 -4.147 1.00 10.00 C ATOM 562 CD2 TYR B 12 2.077 -0.822 -2.152 1.00 10.00 C ATOM 563 CE1 TYR B 12 2.626 -3.309 -3.339 1.00 10.00 C ATOM 564 CE2 TYR B 12 2.328 -1.947 -1.345 1.00 10.00 C ATOM 565 CZ TYR B 12 2.605 -3.187 -1.941 1.00 10.00 C ATOM 566 OH TYR B 12 2.851 -4.276 -1.164 1.00 10.00 O ATOM 0 H TYR B 12 0.688 2.043 -5.723 1.00 10.00 H new ATOM 0 HA TYR B 12 0.105 -0.669 -5.549 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.345 0.266 -5.304 1.00 10.00 H new ATOM 0 HB3 TYR B 12 1.868 1.161 -3.875 1.00 10.00 H new ATOM 0 HD1 TYR B 12 2.369 -2.287 -5.223 1.00 10.00 H new ATOM 0 HD2 TYR B 12 1.865 0.133 -1.694 1.00 10.00 H new ATOM 0 HE1 TYR B 12 2.842 -4.264 -3.794 1.00 10.00 H new ATOM 0 HE2 TYR B 12 2.308 -1.856 -0.269 1.00 10.00 H new ATOM 0 HH TYR B 12 2.800 -4.022 -0.219 1.00 10.00 H new ATOM 576 N LEU B 13 -0.875 0.961 -2.829 1.00 10.00 N ATOM 577 CA LEU B 13 -1.775 0.909 -1.680 1.00 10.00 C ATOM 578 C LEU B 13 -3.190 0.488 -2.104 1.00 10.00 C ATOM 579 O LEU B 13 -3.734 -0.484 -1.580 1.00 10.00 O ATOM 580 CB LEU B 13 -1.774 2.276 -0.969 1.00 10.00 C ATOM 581 CG LEU B 13 -2.694 2.344 0.263 1.00 10.00 C ATOM 582 CD1 LEU B 13 -2.134 1.518 1.424 1.00 10.00 C ATOM 583 CD2 LEU B 13 -2.841 3.797 0.725 1.00 10.00 C ATOM 0 H LEU B 13 -0.378 1.848 -2.914 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.420 0.153 -0.979 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -0.755 2.513 -0.662 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -2.079 3.044 -1.680 1.00 10.00 H new ATOM 0 HG LEU B 13 -3.663 1.937 -0.027 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -2.808 1.587 2.278 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -2.042 0.476 1.118 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -1.153 1.902 1.704 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -3.493 3.837 1.597 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -1.861 4.197 0.986 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -3.273 4.393 -0.079 1.00 10.00 H new ATOM 595 N GLU B 14 -3.782 1.206 -3.063 1.00 10.00 N ATOM 596 CA GLU B 14 -5.121 0.913 -3.561 1.00 10.00 C ATOM 597 C GLU B 14 -5.204 -0.482 -4.201 1.00 10.00 C ATOM 598 O GLU B 14 -6.137 -1.238 -3.933 1.00 10.00 O ATOM 599 CB GLU B 14 -5.560 2.025 -4.523 1.00 10.00 C ATOM 600 CG GLU B 14 -7.019 1.850 -4.982 1.00 10.00 C ATOM 601 CD GLU B 14 -8.013 1.839 -3.821 1.00 10.00 C ATOM 602 OE1 GLU B 14 -8.273 2.938 -3.287 1.00 10.00 O ATOM 603 OE2 GLU B 14 -8.486 0.733 -3.476 1.00 10.00 O ATOM 0 H GLU B 14 -3.342 2.008 -3.514 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.814 0.891 -2.720 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -5.448 2.992 -4.034 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -4.904 2.030 -5.394 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -7.278 2.657 -5.667 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -7.109 0.918 -5.539 1.00 10.00 H new ATOM 610 N GLN B 15 -4.225 -0.846 -5.033 1.00 10.00 N ATOM 611 CA GLN B 15 -4.136 -2.175 -5.629 1.00 10.00 C ATOM 612 C GLN B 15 -4.133 -3.266 -4.549 1.00 10.00 C ATOM 613 O GLN B 15 -4.925 -4.201 -4.619 1.00 10.00 O ATOM 614 CB GLN B 15 -2.894 -2.254 -6.528 1.00 10.00 C ATOM 615 CG GLN B 15 -2.842 -3.578 -7.305 1.00 10.00 C ATOM 616 CD GLN B 15 -1.569 -3.718 -8.127 1.00 10.00 C ATOM 617 OE1 GLN B 15 -0.774 -4.623 -7.909 1.00 10.00 O ATOM 618 NE2 GLN B 15 -1.358 -2.839 -9.097 1.00 10.00 N ATOM 0 H GLN B 15 -3.469 -0.221 -5.312 1.00 10.00 H new ATOM 0 HA GLN B 15 -5.017 -2.350 -6.247 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -2.898 -1.420 -7.229 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -1.996 -2.154 -5.919 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -2.913 -4.410 -6.605 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -3.707 -3.643 -7.965 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -2.032 -2.092 -9.264 1.00 10.00 H new ATOM 0 HE22 GLN B 15 -0.522 -2.910 -9.677 1.00 10.00 H new ATOM 627 N LEU B 16 -3.258 -3.144 -3.547 1.00 10.00 N ATOM 628 CA LEU B 16 -3.173 -4.075 -2.426 1.00 10.00 C ATOM 629 C LEU B 16 -4.494 -4.140 -1.645 1.00 10.00 C ATOM 630 O LEU B 16 -5.044 -5.219 -1.444 1.00 10.00 O ATOM 631 CB LEU B 16 -1.977 -3.683 -1.544 1.00 10.00 C ATOM 632 CG LEU B 16 -1.780 -4.587 -0.315 1.00 10.00 C ATOM 633 CD1 LEU B 16 -1.610 -6.063 -0.695 1.00 10.00 C ATOM 634 CD2 LEU B 16 -0.534 -4.127 0.448 1.00 10.00 C ATOM 0 H LEU B 16 -2.580 -2.384 -3.494 1.00 10.00 H new ATOM 0 HA LEU B 16 -3.007 -5.085 -2.799 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -1.070 -3.707 -2.148 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -2.109 -2.655 -1.208 1.00 10.00 H new ATOM 0 HG LEU B 16 -2.675 -4.503 0.302 1.00 10.00 H new ATOM 0 HD11 LEU B 16 -1.474 -6.658 0.208 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -2.498 -6.407 -1.226 1.00 10.00 H new ATOM 0 HD13 LEU B 16 -0.737 -6.175 -1.338 1.00 10.00 H new ATOM 0 HD21 LEU B 16 -0.387 -4.763 1.321 1.00 10.00 H new ATOM 0 HD22 LEU B 16 0.338 -4.197 -0.203 1.00 10.00 H new ATOM 0 HD23 LEU B 16 -0.665 -3.094 0.769 1.00 10.00 H new ATOM 646 N HIS B 17 -5.029 -2.988 -1.233 1.00 10.00 N ATOM 647 CA HIS B 17 -6.347 -2.850 -0.612 1.00 10.00 C ATOM 648 C HIS B 17 -7.442 -3.607 -1.392 1.00 10.00 C ATOM 649 O HIS B 17 -8.132 -4.467 -0.843 1.00 10.00 O ATOM 650 CB HIS B 17 -6.627 -1.344 -0.497 1.00 10.00 C ATOM 651 CG HIS B 17 -8.018 -0.942 -0.089 1.00 10.00 C ATOM 652 ND1 HIS B 17 -8.922 -0.298 -0.905 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.500 -0.877 1.191 1.00 10.00 C ATOM 654 CE1 HIS B 17 -9.935 0.127 -0.132 1.00 10.00 C ATOM 655 NE2 HIS B 17 -9.722 -0.201 1.154 1.00 10.00 N ATOM 0 H HIS B 17 -4.540 -2.097 -1.326 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.357 -3.308 0.377 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -5.926 -0.922 0.224 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.409 -0.883 -1.461 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.837 -0.168 -1.913 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -8.021 -1.277 2.072 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -10.802 0.659 -0.494 1.00 10.00 H new ATOM 663 N ARG B 18 -7.589 -3.311 -2.685 1.00 10.00 N ATOM 664 CA ARG B 18 -8.574 -3.944 -3.558 1.00 10.00 C ATOM 665 C ARG B 18 -8.329 -5.460 -3.715 1.00 10.00 C ATOM 666 O ARG B 18 -9.251 -6.264 -3.580 1.00 10.00 O ATOM 667 CB ARG B 18 -8.569 -3.204 -4.899 1.00 10.00 C ATOM 668 CG ARG B 18 -9.798 -3.540 -5.756 1.00 10.00 C ATOM 669 CD ARG B 18 -9.391 -3.949 -7.173 1.00 10.00 C ATOM 670 NE ARG B 18 -8.790 -5.290 -7.163 1.00 10.00 N ATOM 671 CZ ARG B 18 -7.513 -5.634 -7.355 1.00 10.00 C ATOM 672 NH1 ARG B 18 -6.553 -4.738 -7.562 1.00 10.00 N ATOM 673 NH2 ARG B 18 -7.217 -6.927 -7.324 1.00 10.00 N ATOM 0 H ARG B 18 -7.017 -2.613 -3.160 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.564 -3.866 -3.109 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -8.538 -2.130 -4.718 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -7.664 -3.461 -5.450 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -10.360 -4.349 -5.289 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -10.461 -2.676 -5.801 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -10.263 -3.939 -7.827 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -8.681 -3.228 -7.577 1.00 10.00 H new ATOM 0 HE ARG B 18 -9.434 -6.061 -6.986 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -6.779 -3.743 -7.579 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -5.591 -5.045 -7.704 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -7.952 -7.615 -7.158 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -6.254 -7.233 -7.466 1.00 10.00 H new ATOM 687 N LYS B 19 -7.077 -5.866 -3.946 1.00 10.00 N ATOM 688 CA LYS B 19 -6.668 -7.269 -3.982 1.00 10.00 C ATOM 689 C LYS B 19 -7.068 -8.006 -2.696 1.00 10.00 C ATOM 690 O LYS B 19 -7.651 -9.086 -2.751 1.00 10.00 O ATOM 691 CB LYS B 19 -5.155 -7.338 -4.240 1.00 10.00 C ATOM 692 CG LYS B 19 -4.650 -8.768 -4.473 1.00 10.00 C ATOM 693 CD LYS B 19 -3.114 -8.833 -4.449 1.00 10.00 C ATOM 694 CE LYS B 19 -2.429 -7.894 -5.452 1.00 10.00 C ATOM 695 NZ LYS B 19 -2.847 -8.171 -6.837 1.00 10.00 N ATOM 0 H LYS B 19 -6.309 -5.217 -4.116 1.00 10.00 H new ATOM 0 HA LYS B 19 -7.188 -7.777 -4.794 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -4.912 -6.727 -5.109 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -4.627 -6.906 -3.390 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -5.055 -9.428 -3.706 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -5.016 -9.133 -5.433 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -2.767 -8.590 -3.445 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -2.802 -9.857 -4.655 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -2.666 -6.860 -5.201 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -1.347 -8.002 -5.371 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -2.337 -7.539 -7.487 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -2.629 -9.160 -7.074 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -3.870 -8.010 -6.930 1.00 10.00 H new ATOM 709 N LEU B 20 -6.788 -7.414 -1.532 1.00 10.00 N ATOM 710 CA LEU B 20 -7.235 -7.949 -0.253 1.00 10.00 C ATOM 711 C LEU B 20 -8.768 -8.018 -0.184 1.00 10.00 C ATOM 712 O LEU B 20 -9.313 -9.040 0.220 1.00 10.00 O ATOM 713 CB LEU B 20 -6.630 -7.145 0.907 1.00 10.00 C ATOM 714 CG LEU B 20 -5.107 -7.328 1.027 1.00 10.00 C ATOM 715 CD1 LEU B 20 -4.543 -6.204 1.898 1.00 10.00 C ATOM 716 CD2 LEU B 20 -4.732 -8.678 1.651 1.00 10.00 C ATOM 0 H LEU B 20 -6.246 -6.553 -1.455 1.00 10.00 H new ATOM 0 HA LEU B 20 -6.875 -8.974 -0.159 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.855 -6.088 0.767 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -7.103 -7.450 1.840 1.00 10.00 H new ATOM 0 HG LEU B 20 -4.686 -7.298 0.022 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -3.463 -6.322 1.991 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -4.764 -5.241 1.438 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.999 -6.246 2.887 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -3.647 -8.761 1.715 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -5.161 -8.748 2.651 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -5.122 -9.486 1.032 1.00 10.00 H new ATOM 728 N LYS B 21 -9.501 -6.985 -0.617 1.00 10.00 N ATOM 729 CA LYS B 21 -10.959 -7.110 -0.715 1.00 10.00 C ATOM 730 C LYS B 21 -11.362 -8.337 -1.548 1.00 10.00 C ATOM 731 O LYS B 21 -12.192 -9.133 -1.108 1.00 10.00 O ATOM 732 CB LYS B 21 -11.610 -5.818 -1.226 1.00 10.00 C ATOM 733 CG LYS B 21 -11.563 -4.727 -0.152 1.00 10.00 C ATOM 734 CD LYS B 21 -12.382 -3.508 -0.586 1.00 10.00 C ATOM 735 CE LYS B 21 -12.342 -2.428 0.501 1.00 10.00 C ATOM 736 NZ LYS B 21 -13.033 -2.852 1.731 1.00 10.00 N ATOM 0 H LYS B 21 -9.123 -6.080 -0.897 1.00 10.00 H new ATOM 0 HA LYS B 21 -11.342 -7.271 0.293 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -11.094 -5.475 -2.123 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -12.645 -6.013 -1.508 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -11.952 -5.118 0.788 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -10.530 -4.432 0.029 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -11.986 -3.109 -1.520 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -13.414 -3.803 -0.777 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -11.305 -2.187 0.733 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -12.804 -1.516 0.122 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -13.145 -2.035 2.365 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -13.970 -3.234 1.489 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -12.473 -3.587 2.208 1.00 10.00 H new ATOM 750 N ASN B 22 -10.716 -8.550 -2.698 1.00 10.00 N ATOM 751 CA ASN B 22 -10.940 -9.722 -3.551 1.00 10.00 C ATOM 752 C ASN B 22 -10.661 -11.085 -2.890 1.00 10.00 C ATOM 753 O ASN B 22 -10.973 -12.108 -3.493 1.00 10.00 O ATOM 754 CB ASN B 22 -10.187 -9.587 -4.883 1.00 10.00 C ATOM 755 CG ASN B 22 -10.493 -8.314 -5.667 1.00 10.00 C ATOM 756 OD1 ASN B 22 -9.664 -7.858 -6.446 1.00 10.00 O ATOM 757 ND2 ASN B 22 -11.675 -7.728 -5.515 1.00 10.00 N ATOM 0 H ASN B 22 -10.015 -7.907 -3.067 1.00 10.00 H new ATOM 0 HA ASN B 22 -12.014 -9.725 -3.738 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -9.116 -9.625 -4.684 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -10.426 -10.448 -5.508 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -11.901 -6.889 -6.050 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -12.357 -8.117 -4.864 1.00 10.00 H new ATOM 914 N PRO C 7 6.590 6.283 5.628 1.00 10.00 N ATOM 915 CA PRO C 7 7.717 5.411 5.939 1.00 10.00 C ATOM 916 C PRO C 7 7.318 4.222 6.820 1.00 10.00 C ATOM 917 O PRO C 7 7.672 3.090 6.516 1.00 10.00 O ATOM 918 CB PRO C 7 8.755 6.307 6.623 1.00 10.00 C ATOM 919 CG PRO C 7 8.482 7.672 5.998 1.00 10.00 C ATOM 920 CD PRO C 7 6.962 7.675 5.843 1.00 10.00 C ATOM 0 HA PRO C 7 8.116 4.955 5.033 1.00 10.00 H new ATOM 0 HB2 PRO C 7 8.626 6.324 7.705 1.00 10.00 H new ATOM 0 HB3 PRO C 7 9.773 5.969 6.429 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.825 8.486 6.637 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.987 7.786 5.039 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.478 8.078 6.733 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.654 8.298 5.003 1.00 10.00 H new ATOM 928 N GLY C 8 6.550 4.464 7.888 1.00 10.00 N ATOM 929 CA GLY C 8 6.052 3.411 8.774 1.00 10.00 C ATOM 930 C GLY C 8 5.292 2.302 8.032 1.00 10.00 C ATOM 931 O GLY C 8 5.529 1.119 8.261 1.00 10.00 O ATOM 0 H GLY C 8 6.256 5.402 8.162 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.892 2.970 9.311 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.394 3.855 9.521 1.00 10.00 H new ATOM 935 N PHE C 9 4.391 2.678 7.116 1.00 10.00 N ATOM 936 CA PHE C 9 3.666 1.720 6.281 1.00 10.00 C ATOM 937 C PHE C 9 4.621 1.006 5.317 1.00 10.00 C ATOM 938 O PHE C 9 4.582 -0.213 5.171 1.00 10.00 O ATOM 939 CB PHE C 9 2.543 2.433 5.519 1.00 10.00 C ATOM 940 CG PHE C 9 1.802 1.533 4.551 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.806 0.657 5.021 1.00 10.00 C ATOM 942 CD2 PHE C 9 2.184 1.492 3.197 1.00 10.00 C ATOM 943 CE1 PHE C 9 0.162 -0.220 4.129 1.00 10.00 C ATOM 944 CE2 PHE C 9 1.513 0.645 2.298 1.00 10.00 C ATOM 945 CZ PHE C 9 0.501 -0.211 2.765 1.00 10.00 C ATOM 0 H PHE C 9 4.147 3.652 6.935 1.00 10.00 H new ATOM 0 HA PHE C 9 3.219 0.962 6.924 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.833 2.845 6.236 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.965 3.275 4.970 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.536 0.658 6.067 1.00 10.00 H new ATOM 0 HD2 PHE C 9 2.995 2.113 2.848 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.593 -0.901 4.493 1.00 10.00 H new ATOM 0 HE2 PHE C 9 1.775 0.652 1.250 1.00 10.00 H new ATOM 0 HZ PHE C 9 -0.016 -0.862 2.076 1.00 10.00 H new ATOM 955 N THR C 10 5.508 1.766 4.674 1.00 10.00 N ATOM 956 CA THR C 10 6.527 1.220 3.774 1.00 10.00 C ATOM 957 C THR C 10 7.350 0.123 4.476 1.00 10.00 C ATOM 958 O THR C 10 7.494 -1.000 3.986 1.00 10.00 O ATOM 959 CB THR C 10 7.428 2.359 3.260 1.00 10.00 C ATOM 960 OG1 THR C 10 6.656 3.461 2.817 1.00 10.00 O ATOM 961 CG2 THR C 10 8.280 1.895 2.079 1.00 10.00 C ATOM 0 H THR C 10 5.541 2.782 4.762 1.00 10.00 H new ATOM 0 HA THR C 10 6.035 0.756 2.919 1.00 10.00 H new ATOM 0 HB THR C 10 8.064 2.653 4.095 1.00 10.00 H new ATOM 0 HG1 THR C 10 7.252 4.170 2.498 1.00 10.00 H new ATOM 0 HG21 THR C 10 8.906 2.719 1.736 1.00 10.00 H new ATOM 0 HG22 THR C 10 8.912 1.064 2.391 1.00 10.00 H new ATOM 0 HG23 THR C 10 7.630 1.571 1.266 1.00 10.00 H new ATOM 969 N ALA C 11 7.861 0.450 5.666 1.00 10.00 N ATOM 970 CA ALA C 11 8.603 -0.450 6.535 1.00 10.00 C ATOM 971 C ALA C 11 7.745 -1.636 6.998 1.00 10.00 C ATOM 972 O ALA C 11 8.193 -2.778 6.911 1.00 10.00 O ATOM 973 CB ALA C 11 9.172 0.352 7.707 1.00 10.00 C ATOM 0 H ALA C 11 7.762 1.386 6.060 1.00 10.00 H new ATOM 0 HA ALA C 11 9.430 -0.890 5.977 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.731 -0.313 8.366 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.836 1.129 7.328 1.00 10.00 H new ATOM 0 HB3 ALA C 11 8.355 0.812 8.264 1.00 10.00 H new ATOM 979 N LEU C 12 6.501 -1.396 7.435 1.00 10.00 N ATOM 980 CA LEU C 12 5.544 -2.465 7.723 1.00 10.00 C ATOM 981 C LEU C 12 5.451 -3.452 6.554 1.00 10.00 C ATOM 982 O LEU C 12 5.655 -4.644 6.754 1.00 10.00 O ATOM 983 CB LEU C 12 4.161 -1.887 8.070 1.00 10.00 C ATOM 984 CG LEU C 12 3.080 -2.969 8.256 1.00 10.00 C ATOM 985 CD1 LEU C 12 3.290 -3.753 9.555 1.00 10.00 C ATOM 986 CD2 LEU C 12 1.684 -2.342 8.254 1.00 10.00 C ATOM 0 H LEU C 12 6.134 -0.458 7.597 1.00 10.00 H new ATOM 0 HA LEU C 12 5.906 -3.013 8.593 1.00 10.00 H new ATOM 0 HB2 LEU C 12 4.239 -1.300 8.985 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.851 -1.205 7.279 1.00 10.00 H new ATOM 0 HG LEU C 12 3.165 -3.661 7.418 1.00 10.00 H new ATOM 0 HD11 LEU C 12 2.510 -4.508 9.655 1.00 10.00 H new ATOM 0 HD12 LEU C 12 4.265 -4.240 9.533 1.00 10.00 H new ATOM 0 HD13 LEU C 12 3.245 -3.070 10.403 1.00 10.00 H new ATOM 0 HD21 LEU C 12 0.935 -3.122 8.387 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.607 -1.623 9.069 1.00 10.00 H new ATOM 0 HD23 LEU C 12 1.515 -1.834 7.305 1.00 10.00 H new ATOM 998 N ILE C 13 5.158 -2.977 5.339 1.00 10.00 N ATOM 999 CA ILE C 13 5.073 -3.821 4.146 1.00 10.00 C ATOM 1000 C ILE C 13 6.362 -4.629 3.935 1.00 10.00 C ATOM 1001 O ILE C 13 6.307 -5.852 3.807 1.00 10.00 O ATOM 1002 CB ILE C 13 4.694 -2.973 2.916 1.00 10.00 C ATOM 1003 CG1 ILE C 13 3.251 -2.437 2.999 1.00 10.00 C ATOM 1004 CG2 ILE C 13 4.904 -3.735 1.598 1.00 10.00 C ATOM 1005 CD1 ILE C 13 2.151 -3.504 2.894 1.00 10.00 C ATOM 0 H ILE C 13 4.972 -1.991 5.156 1.00 10.00 H new ATOM 0 HA ILE C 13 4.279 -4.553 4.293 1.00 10.00 H new ATOM 0 HB ILE C 13 5.371 -2.119 2.923 1.00 10.00 H new ATOM 0 HG12 ILE C 13 3.131 -1.906 3.943 1.00 10.00 H new ATOM 0 HG13 ILE C 13 3.105 -1.707 2.202 1.00 10.00 H new ATOM 0 HG21 ILE C 13 4.623 -3.097 0.760 1.00 10.00 H new ATOM 0 HG22 ILE C 13 5.953 -4.017 1.504 1.00 10.00 H new ATOM 0 HG23 ILE C 13 4.285 -4.632 1.594 1.00 10.00 H new ATOM 0 HD11 ILE C 13 1.173 -3.027 2.963 1.00 10.00 H new ATOM 0 HD12 ILE C 13 2.236 -4.021 1.938 1.00 10.00 H new ATOM 0 HD13 ILE C 13 2.262 -4.222 3.706 1.00 10.00 H new ATOM 1017 N LYS C 14 7.528 -3.975 3.935 1.00 10.00 N ATOM 1018 CA LYS C 14 8.811 -4.679 3.852 1.00 10.00 C ATOM 1019 C LYS C 14 8.932 -5.786 4.919 1.00 10.00 C ATOM 1020 O LYS C 14 9.311 -6.921 4.628 1.00 10.00 O ATOM 1021 CB LYS C 14 9.946 -3.652 3.960 1.00 10.00 C ATOM 1022 CG LYS C 14 11.322 -4.304 3.762 1.00 10.00 C ATOM 1023 CD LYS C 14 12.443 -3.259 3.669 1.00 10.00 C ATOM 1024 CE LYS C 14 12.620 -2.488 4.983 1.00 10.00 C ATOM 1025 NZ LYS C 14 13.790 -1.595 4.916 1.00 10.00 N ATOM 0 H LYS C 14 7.609 -2.960 3.992 1.00 10.00 H new ATOM 0 HA LYS C 14 8.878 -5.186 2.890 1.00 10.00 H new ATOM 0 HB2 LYS C 14 9.802 -2.871 3.213 1.00 10.00 H new ATOM 0 HB3 LYS C 14 9.909 -3.170 4.937 1.00 10.00 H new ATOM 0 HG2 LYS C 14 11.525 -4.982 4.591 1.00 10.00 H new ATOM 0 HG3 LYS C 14 11.311 -4.906 2.854 1.00 10.00 H new ATOM 0 HD2 LYS C 14 13.379 -3.754 3.410 1.00 10.00 H new ATOM 0 HD3 LYS C 14 12.220 -2.558 2.865 1.00 10.00 H new ATOM 0 HE2 LYS C 14 11.723 -1.904 5.190 1.00 10.00 H new ATOM 0 HE3 LYS C 14 12.740 -3.190 5.808 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 13.889 -1.084 5.817 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 14.647 -2.158 4.741 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 13.661 -0.912 4.143 1.00 10.00 H new ATOM 1039 N THR C 15 8.583 -5.462 6.164 1.00 10.00 N ATOM 1040 CA THR C 15 8.642 -6.394 7.290 1.00 10.00 C ATOM 1041 C THR C 15 7.601 -7.521 7.167 1.00 10.00 C ATOM 1042 O THR C 15 7.859 -8.654 7.563 1.00 10.00 O ATOM 1043 CB THR C 15 8.503 -5.627 8.613 1.00 10.00 C ATOM 1044 OG1 THR C 15 9.396 -4.535 8.641 1.00 10.00 O ATOM 1045 CG2 THR C 15 8.907 -6.496 9.798 1.00 10.00 C ATOM 0 H THR C 15 8.247 -4.534 6.422 1.00 10.00 H new ATOM 0 HA THR C 15 9.616 -6.882 7.276 1.00 10.00 H new ATOM 0 HB THR C 15 7.461 -5.315 8.681 1.00 10.00 H new ATOM 0 HG1 THR C 15 9.059 -3.822 8.059 1.00 10.00 H new ATOM 0 HG21 THR C 15 8.798 -5.926 10.721 1.00 10.00 H new ATOM 0 HG22 THR C 15 8.267 -7.377 9.838 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.945 -6.807 9.684 1.00 10.00 H new ATOM 1053 N LEU C 16 6.430 -7.236 6.596 1.00 10.00 N ATOM 1054 CA LEU C 16 5.398 -8.220 6.275 1.00 10.00 C ATOM 1055 C LEU C 16 5.920 -9.214 5.231 1.00 10.00 C ATOM 1056 O LEU C 16 5.852 -10.426 5.435 1.00 10.00 O ATOM 1057 CB LEU C 16 4.130 -7.472 5.824 1.00 10.00 C ATOM 1058 CG LEU C 16 2.891 -8.367 5.655 1.00 10.00 C ATOM 1059 CD1 LEU C 16 1.626 -7.554 5.962 1.00 10.00 C ATOM 1060 CD2 LEU C 16 2.773 -8.892 4.220 1.00 10.00 C ATOM 0 H LEU C 16 6.167 -6.285 6.337 1.00 10.00 H new ATOM 0 HA LEU C 16 5.139 -8.814 7.152 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.904 -6.693 6.552 1.00 10.00 H new ATOM 0 HB3 LEU C 16 4.335 -6.973 4.877 1.00 10.00 H new ATOM 0 HG LEU C 16 2.995 -9.208 6.340 1.00 10.00 H new ATOM 0 HD11 LEU C 16 0.748 -8.188 5.842 1.00 10.00 H new ATOM 0 HD12 LEU C 16 1.670 -7.185 6.987 1.00 10.00 H new ATOM 0 HD13 LEU C 16 1.560 -6.710 5.275 1.00 10.00 H new ATOM 0 HD21 LEU C 16 1.887 -9.521 4.134 1.00 10.00 H new ATOM 0 HD22 LEU C 16 2.689 -8.052 3.531 1.00 10.00 H new ATOM 0 HD23 LEU C 16 3.659 -9.477 3.973 1.00 10.00 H new ATOM 1072 N ARG C 17 6.487 -8.695 4.135 1.00 10.00 N ATOM 1073 CA ARG C 17 7.171 -9.504 3.127 1.00 10.00 C ATOM 1074 C ARG C 17 8.242 -10.393 3.781 1.00 10.00 C ATOM 1075 O ARG C 17 8.238 -11.605 3.582 1.00 10.00 O ATOM 1076 CB ARG C 17 7.775 -8.603 2.035 1.00 10.00 C ATOM 1077 CG ARG C 17 6.748 -7.767 1.247 1.00 10.00 C ATOM 1078 CD ARG C 17 6.218 -8.486 0.001 1.00 10.00 C ATOM 1079 NE ARG C 17 5.451 -9.688 0.351 1.00 10.00 N ATOM 1080 CZ ARG C 17 4.199 -9.728 0.817 1.00 10.00 C ATOM 1081 NH1 ARG C 17 3.468 -8.622 0.919 1.00 10.00 N ATOM 1082 NH2 ARG C 17 3.683 -10.895 1.188 1.00 10.00 N ATOM 0 H ARG C 17 6.482 -7.697 3.924 1.00 10.00 H new ATOM 0 HA ARG C 17 6.443 -10.161 2.652 1.00 10.00 H new ATOM 0 HB2 ARG C 17 8.494 -7.927 2.498 1.00 10.00 H new ATOM 0 HB3 ARG C 17 8.329 -9.227 1.334 1.00 10.00 H new ATOM 0 HG2 ARG C 17 5.911 -7.520 1.900 1.00 10.00 H new ATOM 0 HG3 ARG C 17 7.208 -6.825 0.948 1.00 10.00 H new ATOM 0 HD2 ARG C 17 5.587 -7.806 -0.571 1.00 10.00 H new ATOM 0 HD3 ARG C 17 7.053 -8.762 -0.642 1.00 10.00 H new ATOM 0 HE ARG C 17 5.922 -10.584 0.226 1.00 10.00 H new ATOM 0 HH11 ARG C 17 3.861 -7.723 0.639 1.00 10.00 H new ATOM 0 HH12 ARG C 17 2.514 -8.672 1.277 1.00 10.00 H new ATOM 0 HH21 ARG C 17 4.241 -11.746 1.115 1.00 10.00 H new ATOM 0 HH22 ARG C 17 2.729 -10.940 1.545 1.00 10.00 H new ATOM 1096 N LYS C 18 9.122 -9.809 4.606 1.00 10.00 N ATOM 1097 CA LYS C 18 10.103 -10.565 5.391 1.00 10.00 C ATOM 1098 C LYS C 18 9.442 -11.692 6.206 1.00 10.00 C ATOM 1099 O LYS C 18 9.765 -12.863 6.023 1.00 10.00 O ATOM 1100 CB LYS C 18 10.891 -9.609 6.301 1.00 10.00 C ATOM 1101 CG LYS C 18 12.065 -10.316 6.996 1.00 10.00 C ATOM 1102 CD LYS C 18 12.600 -9.512 8.190 1.00 10.00 C ATOM 1103 CE LYS C 18 11.666 -9.606 9.407 1.00 10.00 C ATOM 1104 NZ LYS C 18 12.314 -9.073 10.619 1.00 10.00 N ATOM 0 H LYS C 18 9.172 -8.800 4.747 1.00 10.00 H new ATOM 0 HA LYS C 18 10.795 -11.044 4.699 1.00 10.00 H new ATOM 0 HB2 LYS C 18 11.268 -8.774 5.710 1.00 10.00 H new ATOM 0 HB3 LYS C 18 10.222 -9.191 7.053 1.00 10.00 H new ATOM 0 HG2 LYS C 18 11.744 -11.300 7.337 1.00 10.00 H new ATOM 0 HG3 LYS C 18 12.869 -10.474 6.277 1.00 10.00 H new ATOM 0 HD2 LYS C 18 13.589 -9.880 8.462 1.00 10.00 H new ATOM 0 HD3 LYS C 18 12.717 -8.467 7.902 1.00 10.00 H new ATOM 0 HE2 LYS C 18 10.749 -9.052 9.208 1.00 10.00 H new ATOM 0 HE3 LYS C 18 11.381 -10.645 9.571 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 11.761 -9.345 11.457 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 13.275 -9.462 10.698 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 12.364 -8.036 10.559 1.00 10.00 H new ATOM 1118 N CYS C 19 8.513 -11.348 7.105 1.00 10.00 N ATOM 1119 CA CYS C 19 7.780 -12.294 7.949 1.00 10.00 C ATOM 1120 C CYS C 19 7.195 -13.466 7.148 1.00 10.00 C ATOM 1121 O CYS C 19 7.350 -14.620 7.539 1.00 10.00 O ATOM 1122 CB CYS C 19 6.689 -11.537 8.717 1.00 10.00 C ATOM 1123 SG CYS C 19 5.511 -12.559 9.640 1.00 10.00 S ATOM 0 H CYS C 19 8.244 -10.378 7.269 1.00 10.00 H new ATOM 0 HA CYS C 19 8.480 -12.739 8.656 1.00 10.00 H new ATOM 0 HB2 CYS C 19 7.172 -10.854 9.416 1.00 10.00 H new ATOM 0 HB3 CYS C 19 6.131 -10.926 8.008 1.00 10.00 H new ATOM 0 HG CYS C 19 4.649 -11.793 10.241 1.00 10.00 H new ATOM 1278 N ILE D 7 -4.112 8.162 16.835 1.00 10.00 N ATOM 1279 CA ILE D 7 -3.241 7.583 17.856 1.00 10.00 C ATOM 1280 C ILE D 7 -3.400 6.059 17.946 1.00 10.00 C ATOM 1281 O ILE D 7 -2.408 5.337 18.008 1.00 10.00 O ATOM 1282 CB ILE D 7 -3.431 8.297 19.210 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -4.862 8.153 19.765 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -3.032 9.774 19.070 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -5.051 8.857 21.112 1.00 10.00 C ATOM 0 HA ILE D 7 -2.206 7.751 17.557 1.00 10.00 H new ATOM 0 HB ILE D 7 -2.779 7.813 19.938 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -5.569 8.563 19.044 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -5.098 7.095 19.877 1.00 10.00 H new ATOM 0 HG21 ILE D 7 -3.166 10.279 20.026 1.00 10.00 H new ATOM 0 HG22 ILE D 7 -1.987 9.841 18.767 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -3.659 10.251 18.317 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -6.077 8.721 21.453 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -4.366 8.430 21.845 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -4.844 9.921 20.999 1.00 10.00 H new ATOM 1297 N GLU D 8 -4.638 5.558 17.888 1.00 10.00 N ATOM 1298 CA GLU D 8 -4.916 4.127 17.879 1.00 10.00 C ATOM 1299 C GLU D 8 -4.335 3.449 16.632 1.00 10.00 C ATOM 1300 O GLU D 8 -3.606 2.467 16.751 1.00 10.00 O ATOM 1301 CB GLU D 8 -6.427 3.884 18.020 1.00 10.00 C ATOM 1302 CG GLU D 8 -7.000 4.458 19.328 1.00 10.00 C ATOM 1303 CD GLU D 8 -6.278 3.934 20.567 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -6.315 2.700 20.766 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -5.680 4.771 21.276 1.00 10.00 O ATOM 0 H GLU D 8 -5.475 6.139 17.846 1.00 10.00 H new ATOM 0 HA GLU D 8 -4.421 3.670 18.736 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -6.944 4.334 17.173 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -6.624 2.813 17.981 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -6.930 5.545 19.304 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -8.059 4.208 19.397 1.00 10.00 H new ATOM 1312 N ALA D 9 -4.624 3.979 15.439 1.00 10.00 N ATOM 1313 CA ALA D 9 -4.068 3.460 14.188 1.00 10.00 C ATOM 1314 C ALA D 9 -2.529 3.440 14.198 1.00 10.00 C ATOM 1315 O ALA D 9 -1.911 2.455 13.802 1.00 10.00 O ATOM 1316 CB ALA D 9 -4.608 4.282 13.016 1.00 10.00 C ATOM 0 H ALA D 9 -5.248 4.777 15.315 1.00 10.00 H new ATOM 0 HA ALA D 9 -4.383 2.423 14.076 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -4.196 3.899 12.082 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -5.695 4.208 12.990 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -4.318 5.325 13.139 1.00 10.00 H new ATOM 1322 N ARG D 10 -1.912 4.524 14.668 1.00 10.00 N ATOM 1323 CA ARG D 10 -0.465 4.692 14.772 1.00 10.00 C ATOM 1324 C ARG D 10 0.177 3.745 15.809 1.00 10.00 C ATOM 1325 O ARG D 10 1.218 3.133 15.554 1.00 10.00 O ATOM 1326 CB ARG D 10 -0.197 6.172 15.078 1.00 10.00 C ATOM 1327 CG ARG D 10 1.260 6.485 15.419 1.00 10.00 C ATOM 1328 CD ARG D 10 2.239 6.041 14.327 1.00 10.00 C ATOM 1329 NE ARG D 10 3.618 6.260 14.773 1.00 10.00 N ATOM 1330 CZ ARG D 10 4.236 5.532 15.710 1.00 10.00 C ATOM 1331 NH1 ARG D 10 3.644 4.484 16.277 1.00 10.00 N ATOM 1332 NH2 ARG D 10 5.465 5.853 16.097 1.00 10.00 N ATOM 0 H ARG D 10 -2.427 5.340 14.999 1.00 10.00 H new ATOM 0 HA ARG D 10 0.007 4.414 13.830 1.00 10.00 H new ATOM 0 HB2 ARG D 10 -0.494 6.770 14.216 1.00 10.00 H new ATOM 0 HB3 ARG D 10 -0.828 6.480 15.912 1.00 10.00 H new ATOM 0 HG2 ARG D 10 1.367 7.558 15.581 1.00 10.00 H new ATOM 0 HG3 ARG D 10 1.522 5.993 16.356 1.00 10.00 H new ATOM 0 HD2 ARG D 10 2.086 4.987 14.096 1.00 10.00 H new ATOM 0 HD3 ARG D 10 2.051 6.599 13.410 1.00 10.00 H new ATOM 0 HE ARG D 10 4.143 7.020 14.339 1.00 10.00 H new ATOM 0 HH11 ARG D 10 2.699 4.220 15.999 1.00 10.00 H new ATOM 0 HH12 ARG D 10 4.136 3.944 16.989 1.00 10.00 H new ATOM 0 HH21 ARG D 10 5.938 6.655 15.680 1.00 10.00 H new ATOM 0 HH22 ARG D 10 5.936 5.298 16.811 1.00 10.00 H new ATOM 1346 N LYS D 11 -0.432 3.621 16.990 1.00 10.00 N ATOM 1347 CA LYS D 11 -0.034 2.652 18.009 1.00 10.00 C ATOM 1348 C LYS D 11 -0.125 1.221 17.458 1.00 10.00 C ATOM 1349 O LYS D 11 0.838 0.455 17.518 1.00 10.00 O ATOM 1350 CB LYS D 11 -0.931 2.861 19.236 1.00 10.00 C ATOM 1351 CG LYS D 11 -0.707 1.817 20.337 1.00 10.00 C ATOM 1352 CD LYS D 11 -1.395 2.228 21.650 1.00 10.00 C ATOM 1353 CE LYS D 11 -2.884 2.573 21.495 1.00 10.00 C ATOM 1354 NZ LYS D 11 -3.649 1.471 20.884 1.00 10.00 N ATOM 0 H LYS D 11 -1.225 4.199 17.268 1.00 10.00 H new ATOM 0 HA LYS D 11 1.006 2.802 18.300 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -0.749 3.855 19.645 1.00 10.00 H new ATOM 0 HB3 LYS D 11 -1.975 2.831 18.924 1.00 10.00 H new ATOM 0 HG2 LYS D 11 -1.093 0.852 20.009 1.00 10.00 H new ATOM 0 HG3 LYS D 11 0.362 1.691 20.509 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -1.294 1.416 22.370 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -0.874 3.090 22.066 1.00 10.00 H new ATOM 0 HE2 LYS D 11 -3.305 2.807 22.473 1.00 10.00 H new ATOM 0 HE3 LYS D 11 -2.986 3.468 20.881 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 -4.651 1.741 20.814 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 -3.276 1.275 19.933 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 -3.560 0.618 21.473 1.00 10.00 H new ATOM 1368 N TYR D 12 -1.284 0.873 16.891 1.00 10.00 N ATOM 1369 CA TYR D 12 -1.523 -0.411 16.248 1.00 10.00 C ATOM 1370 C TYR D 12 -0.493 -0.706 15.144 1.00 10.00 C ATOM 1371 O TYR D 12 0.097 -1.783 15.134 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.961 -0.448 15.721 1.00 10.00 C ATOM 1373 CG TYR D 12 -3.264 -1.695 14.923 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -3.540 -2.907 15.582 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -3.049 -1.686 13.535 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -3.618 -4.104 14.849 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -3.080 -2.887 12.814 1.00 10.00 C ATOM 1378 CZ TYR D 12 -3.375 -4.093 13.467 1.00 10.00 C ATOM 1379 OH TYR D 12 -3.416 -5.255 12.759 1.00 10.00 O ATOM 0 H TYR D 12 -2.094 1.492 16.869 1.00 10.00 H new ATOM 0 HA TYR D 12 -1.398 -1.204 16.986 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -3.652 -0.384 16.561 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -3.136 0.428 15.097 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -3.692 -2.918 16.651 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -2.860 -0.754 13.024 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -3.864 -5.030 15.348 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -2.876 -2.884 11.753 1.00 10.00 H new ATOM 0 HH TYR D 12 -4.107 -5.192 12.067 1.00 10.00 H new ATOM 1389 N LEU D 13 -0.259 0.245 14.229 1.00 10.00 N ATOM 1390 CA LEU D 13 0.790 0.164 13.210 1.00 10.00 C ATOM 1391 C LEU D 13 2.122 -0.275 13.830 1.00 10.00 C ATOM 1392 O LEU D 13 2.698 -1.280 13.419 1.00 10.00 O ATOM 1393 CB LEU D 13 0.926 1.520 12.492 1.00 10.00 C ATOM 1394 CG LEU D 13 2.167 1.646 11.589 1.00 10.00 C ATOM 1395 CD1 LEU D 13 2.155 0.613 10.461 1.00 10.00 C ATOM 1396 CD2 LEU D 13 2.224 3.051 10.982 1.00 10.00 C ATOM 0 H LEU D 13 -0.804 1.106 14.178 1.00 10.00 H new ATOM 0 HA LEU D 13 0.510 -0.590 12.474 1.00 10.00 H new ATOM 0 HB2 LEU D 13 0.035 1.687 11.887 1.00 10.00 H new ATOM 0 HB3 LEU D 13 0.956 2.311 13.241 1.00 10.00 H new ATOM 0 HG LEU D 13 3.045 1.465 12.208 1.00 10.00 H new ATOM 0 HD11 LEU D 13 3.047 0.735 9.846 1.00 10.00 H new ATOM 0 HD12 LEU D 13 2.142 -0.390 10.887 1.00 10.00 H new ATOM 0 HD13 LEU D 13 1.267 0.757 9.845 1.00 10.00 H new ATOM 0 HD21 LEU D 13 3.103 3.136 10.344 1.00 10.00 H new ATOM 0 HD22 LEU D 13 1.327 3.228 10.389 1.00 10.00 H new ATOM 0 HD23 LEU D 13 2.282 3.790 11.781 1.00 10.00 H new ATOM 1408 N GLU D 14 2.605 0.468 14.830 1.00 10.00 N ATOM 1409 CA GLU D 14 3.848 0.123 15.509 1.00 10.00 C ATOM 1410 C GLU D 14 3.801 -1.274 16.147 1.00 10.00 C ATOM 1411 O GLU D 14 4.695 -2.082 15.913 1.00 10.00 O ATOM 1412 CB GLU D 14 4.202 1.237 16.497 1.00 10.00 C ATOM 1413 CG GLU D 14 5.484 0.924 17.287 1.00 10.00 C ATOM 1414 CD GLU D 14 5.958 2.082 18.165 1.00 10.00 C ATOM 1415 OE1 GLU D 14 5.533 3.229 17.902 1.00 10.00 O ATOM 1416 OE2 GLU D 14 6.755 1.795 19.085 1.00 10.00 O ATOM 0 H GLU D 14 2.152 1.310 15.184 1.00 10.00 H new ATOM 0 HA GLU D 14 4.652 0.055 14.776 1.00 10.00 H new ATOM 0 HB2 GLU D 14 4.330 2.174 15.955 1.00 10.00 H new ATOM 0 HB3 GLU D 14 3.375 1.381 17.192 1.00 10.00 H new ATOM 0 HG2 GLU D 14 5.310 0.050 17.915 1.00 10.00 H new ATOM 0 HG3 GLU D 14 6.277 0.661 16.587 1.00 10.00 H new ATOM 1423 N GLN D 15 2.765 -1.588 16.931 1.00 10.00 N ATOM 1424 CA GLN D 15 2.629 -2.910 17.544 1.00 10.00 C ATOM 1425 C GLN D 15 2.679 -4.044 16.503 1.00 10.00 C ATOM 1426 O GLN D 15 3.410 -5.024 16.675 1.00 10.00 O ATOM 1427 CB GLN D 15 1.341 -2.956 18.379 1.00 10.00 C ATOM 1428 CG GLN D 15 1.080 -4.326 19.032 1.00 10.00 C ATOM 1429 CD GLN D 15 2.192 -4.777 19.976 1.00 10.00 C ATOM 1430 OE1 GLN D 15 2.110 -4.589 21.182 1.00 10.00 O ATOM 1431 NE2 GLN D 15 3.242 -5.397 19.453 1.00 10.00 N ATOM 0 H GLN D 15 2.008 -0.942 17.155 1.00 10.00 H new ATOM 0 HA GLN D 15 3.482 -3.074 18.203 1.00 10.00 H new ATOM 0 HB2 GLN D 15 1.395 -2.196 19.158 1.00 10.00 H new ATOM 0 HB3 GLN D 15 0.495 -2.699 17.742 1.00 10.00 H new ATOM 0 HG2 GLN D 15 0.142 -4.282 19.585 1.00 10.00 H new ATOM 0 HG3 GLN D 15 0.954 -5.074 18.249 1.00 10.00 H new ATOM 0 HE21 GLN D 15 3.296 -5.547 18.445 1.00 10.00 H new ATOM 0 HE22 GLN D 15 3.995 -5.724 20.058 1.00 10.00 H new ATOM 1440 N LEU D 16 1.906 -3.914 15.424 1.00 10.00 N ATOM 1441 CA LEU D 16 1.910 -4.851 14.307 1.00 10.00 C ATOM 1442 C LEU D 16 3.313 -4.959 13.692 1.00 10.00 C ATOM 1443 O LEU D 16 3.851 -6.054 13.547 1.00 10.00 O ATOM 1444 CB LEU D 16 0.864 -4.402 13.276 1.00 10.00 C ATOM 1445 CG LEU D 16 0.766 -5.339 12.062 1.00 10.00 C ATOM 1446 CD1 LEU D 16 0.148 -6.692 12.429 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -0.087 -4.673 10.979 1.00 10.00 C ATOM 0 H LEU D 16 1.251 -3.142 15.303 1.00 10.00 H new ATOM 0 HA LEU D 16 1.645 -5.848 14.659 1.00 10.00 H new ATOM 0 HB2 LEU D 16 -0.111 -4.343 13.760 1.00 10.00 H new ATOM 0 HB3 LEU D 16 1.111 -3.398 12.932 1.00 10.00 H new ATOM 0 HG LEU D 16 1.777 -5.521 11.699 1.00 10.00 H new ATOM 0 HD11 LEU D 16 0.098 -7.322 11.541 1.00 10.00 H new ATOM 0 HD12 LEU D 16 0.763 -7.179 13.186 1.00 10.00 H new ATOM 0 HD13 LEU D 16 -0.857 -6.538 12.822 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -0.160 -5.334 10.115 1.00 10.00 H new ATOM 0 HD22 LEU D 16 -1.085 -4.477 11.371 1.00 10.00 H new ATOM 0 HD23 LEU D 16 0.376 -3.733 10.679 1.00 10.00 H new ATOM 1459 N HIS D 17 3.925 -3.822 13.349 1.00 10.00 N ATOM 1460 CA HIS D 17 5.272 -3.779 12.793 1.00 10.00 C ATOM 1461 C HIS D 17 6.297 -4.465 13.710 1.00 10.00 C ATOM 1462 O HIS D 17 7.150 -5.204 13.222 1.00 10.00 O ATOM 1463 CB HIS D 17 5.648 -2.327 12.476 1.00 10.00 C ATOM 1464 CG HIS D 17 6.904 -2.175 11.653 1.00 10.00 C ATOM 1465 ND1 HIS D 17 7.975 -3.041 11.617 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.210 -1.106 10.853 1.00 10.00 C ATOM 1467 CE1 HIS D 17 8.912 -2.495 10.825 1.00 10.00 C ATOM 1468 NE2 HIS D 17 8.490 -1.318 10.335 1.00 10.00 N ATOM 0 H HIS D 17 3.494 -2.903 13.451 1.00 10.00 H new ATOM 0 HA HIS D 17 5.286 -4.347 11.863 1.00 10.00 H new ATOM 0 HB2 HIS D 17 4.820 -1.858 11.944 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.774 -1.784 13.413 1.00 10.00 H new ATOM 0 HD1 HIS D 17 8.044 -3.935 12.104 1.00 10.00 H new ATOM 0 HD2 HIS D 17 6.576 -0.253 10.658 1.00 10.00 H new ATOM 0 HE1 HIS D 17 9.872 -2.941 10.612 1.00 10.00 H new ATOM 1476 N ARG D 18 6.228 -4.243 15.026 1.00 10.00 N ATOM 1477 CA ARG D 18 7.056 -4.948 16.003 1.00 10.00 C ATOM 1478 C ARG D 18 6.811 -6.463 15.951 1.00 10.00 C ATOM 1479 O ARG D 18 7.761 -7.242 15.849 1.00 10.00 O ATOM 1480 CB ARG D 18 6.805 -4.396 17.414 1.00 10.00 C ATOM 1481 CG ARG D 18 7.409 -2.999 17.600 1.00 10.00 C ATOM 1482 CD ARG D 18 7.071 -2.471 18.998 1.00 10.00 C ATOM 1483 NE ARG D 18 7.601 -1.114 19.201 1.00 10.00 N ATOM 1484 CZ ARG D 18 8.865 -0.785 19.476 1.00 10.00 C ATOM 1485 NH1 ARG D 18 9.815 -1.709 19.588 1.00 10.00 N ATOM 1486 NH2 ARG D 18 9.169 0.498 19.643 1.00 10.00 N ATOM 0 H ARG D 18 5.591 -3.564 15.444 1.00 10.00 H new ATOM 0 HA ARG D 18 8.102 -4.778 15.748 1.00 10.00 H new ATOM 0 HB2 ARG D 18 5.732 -4.355 17.602 1.00 10.00 H new ATOM 0 HB3 ARG D 18 7.232 -5.077 18.151 1.00 10.00 H new ATOM 0 HG2 ARG D 18 8.490 -3.039 17.468 1.00 10.00 H new ATOM 0 HG3 ARG D 18 7.020 -2.320 16.841 1.00 10.00 H new ATOM 0 HD2 ARG D 18 5.990 -2.465 19.135 1.00 10.00 H new ATOM 0 HD3 ARG D 18 7.484 -3.141 19.752 1.00 10.00 H new ATOM 0 HE ARG D 18 6.934 -0.346 19.124 1.00 10.00 H new ATOM 0 HH11 ARG D 18 9.585 -2.695 19.463 1.00 10.00 H new ATOM 0 HH12 ARG D 18 10.774 -1.432 19.799 1.00 10.00 H new ATOM 0 HH21 ARG D 18 8.443 1.209 19.560 1.00 10.00 H new ATOM 0 HH22 ARG D 18 10.129 0.771 19.854 1.00 10.00 H new ATOM 1500 N LYS D 19 5.548 -6.898 16.004 1.00 10.00 N ATOM 1501 CA LYS D 19 5.208 -8.316 15.883 1.00 10.00 C ATOM 1502 C LYS D 19 5.802 -8.936 14.606 1.00 10.00 C ATOM 1503 O LYS D 19 6.489 -9.953 14.663 1.00 10.00 O ATOM 1504 CB LYS D 19 3.684 -8.486 15.963 1.00 10.00 C ATOM 1505 CG LYS D 19 3.284 -9.968 15.945 1.00 10.00 C ATOM 1506 CD LYS D 19 1.796 -10.168 16.264 1.00 10.00 C ATOM 1507 CE LYS D 19 0.891 -9.501 15.222 1.00 10.00 C ATOM 1508 NZ LYS D 19 -0.522 -9.852 15.449 1.00 10.00 N ATOM 0 H LYS D 19 4.743 -6.285 16.130 1.00 10.00 H new ATOM 0 HA LYS D 19 5.655 -8.861 16.714 1.00 10.00 H new ATOM 0 HB2 LYS D 19 3.312 -8.018 16.874 1.00 10.00 H new ATOM 0 HB3 LYS D 19 3.214 -7.971 15.125 1.00 10.00 H new ATOM 0 HG2 LYS D 19 3.504 -10.391 14.965 1.00 10.00 H new ATOM 0 HG3 LYS D 19 3.887 -10.515 16.670 1.00 10.00 H new ATOM 0 HD2 LYS D 19 1.575 -11.234 16.307 1.00 10.00 H new ATOM 0 HD3 LYS D 19 1.578 -9.757 17.250 1.00 10.00 H new ATOM 0 HE2 LYS D 19 1.013 -8.419 15.269 1.00 10.00 H new ATOM 0 HE3 LYS D 19 1.191 -9.813 14.222 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 -1.115 -9.388 14.731 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 -0.639 -10.883 15.381 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 -0.811 -9.532 16.395 1.00 10.00 H new ATOM 1522 N LEU D 20 5.577 -8.305 13.452 1.00 10.00 N ATOM 1523 CA LEU D 20 6.137 -8.736 12.170 1.00 10.00 C ATOM 1524 C LEU D 20 7.675 -8.663 12.139 1.00 10.00 C ATOM 1525 O LEU D 20 8.322 -9.507 11.524 1.00 10.00 O ATOM 1526 CB LEU D 20 5.491 -7.928 11.036 1.00 10.00 C ATOM 1527 CG LEU D 20 4.184 -8.554 10.520 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.168 -8.897 11.616 1.00 10.00 C ATOM 1529 CD2 LEU D 20 3.536 -7.576 9.539 1.00 10.00 C ATOM 0 H LEU D 20 4.994 -7.471 13.381 1.00 10.00 H new ATOM 0 HA LEU D 20 5.900 -9.790 12.028 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.289 -6.916 11.388 1.00 10.00 H new ATOM 0 HB3 LEU D 20 6.197 -7.843 10.210 1.00 10.00 H new ATOM 0 HG LEU D 20 4.456 -9.499 10.050 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.278 -9.333 11.163 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.609 -9.612 12.310 1.00 10.00 H new ATOM 0 HD13 LEU D 20 2.894 -7.990 12.155 1.00 10.00 H new ATOM 0 HD21 LEU D 20 2.607 -8.002 9.161 1.00 10.00 H new ATOM 0 HD22 LEU D 20 3.324 -6.636 10.049 1.00 10.00 H new ATOM 0 HD23 LEU D 20 4.215 -7.392 8.707 1.00 10.00 H new ATOM 1541 N LYS D 21 8.289 -7.684 12.811 1.00 10.00 N ATOM 1542 CA LYS D 21 9.741 -7.645 12.967 1.00 10.00 C ATOM 1543 C LYS D 21 10.245 -8.881 13.728 1.00 10.00 C ATOM 1544 O LYS D 21 11.217 -9.506 13.311 1.00 10.00 O ATOM 1545 CB LYS D 21 10.165 -6.331 13.638 1.00 10.00 C ATOM 1546 CG LYS D 21 11.691 -6.181 13.677 1.00 10.00 C ATOM 1547 CD LYS D 21 12.057 -4.824 14.292 1.00 10.00 C ATOM 1548 CE LYS D 21 13.574 -4.664 14.442 1.00 10.00 C ATOM 1549 NZ LYS D 21 14.255 -4.643 13.135 1.00 10.00 N ATOM 0 H LYS D 21 7.799 -6.908 13.255 1.00 10.00 H new ATOM 0 HA LYS D 21 10.206 -7.675 11.982 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.730 -5.490 13.098 1.00 10.00 H new ATOM 0 HB3 LYS D 21 9.770 -6.297 14.653 1.00 10.00 H new ATOM 0 HG2 LYS D 21 12.131 -6.988 14.262 1.00 10.00 H new ATOM 0 HG3 LYS D 21 12.100 -6.258 12.670 1.00 10.00 H new ATOM 0 HD2 LYS D 21 11.666 -4.022 13.665 1.00 10.00 H new ATOM 0 HD3 LYS D 21 11.582 -4.726 15.268 1.00 10.00 H new ATOM 0 HE2 LYS D 21 13.791 -3.741 14.979 1.00 10.00 H new ATOM 0 HE3 LYS D 21 13.968 -5.483 15.044 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 15.261 -4.415 13.271 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 14.169 -5.576 12.684 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 13.816 -3.923 12.527 1.00 10.00 H new ATOM 1563 N ASN D 22 9.569 -9.242 14.825 1.00 10.00 N ATOM 1564 CA ASN D 22 9.896 -10.428 15.620 1.00 10.00 C ATOM 1565 C ASN D 22 9.620 -11.744 14.874 1.00 10.00 C ATOM 1566 O ASN D 22 10.417 -12.672 14.973 1.00 10.00 O ATOM 1567 CB ASN D 22 9.154 -10.383 16.964 1.00 10.00 C ATOM 1568 CG ASN D 22 9.809 -9.416 17.945 1.00 10.00 C ATOM 1569 OD1 ASN D 22 10.559 -9.820 18.822 1.00 10.00 O ATOM 1570 ND2 ASN D 22 9.543 -8.124 17.827 1.00 10.00 N ATOM 0 H ASN D 22 8.775 -8.715 15.187 1.00 10.00 H new ATOM 0 HA ASN D 22 10.970 -10.408 15.805 1.00 10.00 H new ATOM 0 HB2 ASN D 22 8.119 -10.085 16.797 1.00 10.00 H new ATOM 0 HB3 ASN D 22 9.132 -11.382 17.400 1.00 10.00 H new ATOM 0 HD21 ASN D 22 9.965 -7.455 18.471 1.00 10.00 H new ATOM 0 HD22 ASN D 22 8.916 -7.797 17.092 1.00 10.00 H new