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= 1.08 USER MOD Set 1.2: D 17 HIS : no HE2:sc= 1.05 K(o=2.1,f=-2.9!) USER MOD Set 2.1: B 15 GLN : amide:sc= 0.917 K(o=2,f=-3.8!) USER MOD Set 2.2: B 19 LYS NZ :NH3+ 153:sc= 1.08 (180deg=0) USER MOD Set 3.1: A 15 THR OG1 : rot -74:sc= 1.06 USER MOD Set 3.2: B 17 HIS : no HE2:sc= 1.11 K(o=2.2,f=-3!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0439 USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= 0.00843 (180deg=-0.00244) USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.121) USER MOD Single : A 19 CYS SG : rot 150:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 146:sc= -0.134 (180deg=-0.718) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot 150:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : C 10 THR OG1 : rot 180:sc= 0.00965 USER MOD Single : C 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.143) USER MOD Single : C 19 CYS SG : rot 180:sc= 0 USER MOD Single : D 11 LYS NZ :NH3+ -167:sc= 0.81 (180deg=0.697) USER MOD Single : D 12 TYR OH : rot 120:sc= 0 USER MOD Single : D 15 GLN : amide:sc= 0.92 K(o=0.92,f=-0.02) USER MOD Single : D 19 LYS NZ :NH3+ -165:sc= -0.689 (180deg=-1.03) USER MOD Single : D 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 22 ASN : amide:sc= 1.06 K(o=1.1,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 6 -4.251 7.022 6.109 1.00 10.00 N ATOM 88 CA PRO A 6 -5.385 6.880 5.209 1.00 10.00 C ATOM 89 C PRO A 6 -6.317 5.755 5.697 1.00 10.00 C ATOM 90 O PRO A 6 -5.831 4.718 6.148 1.00 10.00 O ATOM 91 CB PRO A 6 -4.756 6.534 3.857 1.00 10.00 C ATOM 92 CG PRO A 6 -3.536 5.703 4.254 1.00 10.00 C ATOM 93 CD PRO A 6 -3.077 6.353 5.561 1.00 10.00 C ATOM 0 HA PRO A 6 -5.998 7.780 5.154 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -5.441 5.970 3.225 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -4.473 7.428 3.302 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -3.793 4.653 4.396 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -2.758 5.741 3.491 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -2.694 5.605 6.255 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -2.271 7.064 5.381 1.00 10.00 H new ATOM 101 N PRO A 7 -7.650 5.890 5.566 1.00 10.00 N ATOM 102 CA PRO A 7 -8.588 4.821 5.918 1.00 10.00 C ATOM 103 C PRO A 7 -8.338 3.556 5.083 1.00 10.00 C ATOM 104 O PRO A 7 -8.565 2.436 5.544 1.00 10.00 O ATOM 105 CB PRO A 7 -9.981 5.415 5.687 1.00 10.00 C ATOM 106 CG PRO A 7 -9.741 6.474 4.610 1.00 10.00 C ATOM 107 CD PRO A 7 -8.350 7.006 4.951 1.00 10.00 C ATOM 0 HA PRO A 7 -8.470 4.496 6.952 1.00 10.00 H new ATOM 0 HB2 PRO A 7 -10.691 4.657 5.354 1.00 10.00 H new ATOM 0 HB3 PRO A 7 -10.387 5.854 6.599 1.00 10.00 H new ATOM 0 HG2 PRO A 7 -9.774 6.045 3.608 1.00 10.00 H new ATOM 0 HG3 PRO A 7 -10.494 7.262 4.644 1.00 10.00 H new ATOM 0 HD2 PRO A 7 -7.831 7.350 4.057 1.00 10.00 H new ATOM 0 HD3 PRO A 7 -8.410 7.855 5.632 1.00 10.00 H new ATOM 115 N GLY A 8 -7.802 3.737 3.870 1.00 10.00 N ATOM 116 CA GLY A 8 -7.243 2.671 3.047 1.00 10.00 C ATOM 117 C GLY A 8 -6.322 1.717 3.820 1.00 10.00 C ATOM 118 O GLY A 8 -6.331 0.520 3.551 1.00 10.00 O ATOM 0 H GLY A 8 -7.746 4.654 3.427 1.00 10.00 H new ATOM 0 HA2 GLY A 8 -8.059 2.098 2.606 1.00 10.00 H new ATOM 0 HA3 GLY A 8 -6.684 3.115 2.223 1.00 10.00 H new ATOM 122 N PHE A 9 -5.542 2.215 4.791 1.00 10.00 N ATOM 123 CA PHE A 9 -4.733 1.352 5.651 1.00 10.00 C ATOM 124 C PHE A 9 -5.615 0.386 6.454 1.00 10.00 C ATOM 125 O PHE A 9 -5.436 -0.827 6.389 1.00 10.00 O ATOM 126 CB PHE A 9 -3.848 2.200 6.573 1.00 10.00 C ATOM 127 CG PHE A 9 -3.084 1.411 7.620 1.00 10.00 C ATOM 128 CD1 PHE A 9 -2.314 0.296 7.244 1.00 10.00 C ATOM 129 CD2 PHE A 9 -3.179 1.765 8.979 1.00 10.00 C ATOM 130 CE1 PHE A 9 -1.621 -0.446 8.217 1.00 10.00 C ATOM 131 CE2 PHE A 9 -2.486 1.024 9.951 1.00 10.00 C ATOM 132 CZ PHE A 9 -1.712 -0.085 9.572 1.00 10.00 C ATOM 0 H PHE A 9 -5.457 3.210 4.997 1.00 10.00 H new ATOM 0 HA PHE A 9 -4.084 0.746 5.019 1.00 10.00 H new ATOM 0 HB2 PHE A 9 -3.134 2.753 5.962 1.00 10.00 H new ATOM 0 HB3 PHE A 9 -4.473 2.937 7.077 1.00 10.00 H new ATOM 0 HD1 PHE A 9 -2.255 0.009 6.205 1.00 10.00 H new ATOM 0 HD2 PHE A 9 -3.786 2.608 9.275 1.00 10.00 H new ATOM 0 HE1 PHE A 9 -1.019 -1.293 7.923 1.00 10.00 H new ATOM 0 HE2 PHE A 9 -2.549 1.308 10.991 1.00 10.00 H new ATOM 0 HZ PHE A 9 -1.187 -0.660 10.321 1.00 10.00 H new ATOM 142 N THR A 10 -6.601 0.911 7.185 1.00 10.00 N ATOM 143 CA THR A 10 -7.562 0.112 7.941 1.00 10.00 C ATOM 144 C THR A 10 -8.283 -0.901 7.040 1.00 10.00 C ATOM 145 O THR A 10 -8.414 -2.077 7.382 1.00 10.00 O ATOM 146 CB THR A 10 -8.563 1.050 8.633 1.00 10.00 C ATOM 147 OG1 THR A 10 -7.885 2.188 9.128 1.00 10.00 O ATOM 148 CG2 THR A 10 -9.245 0.354 9.812 1.00 10.00 C ATOM 0 H THR A 10 -6.754 1.916 7.268 1.00 10.00 H new ATOM 0 HA THR A 10 -7.027 -0.463 8.697 1.00 10.00 H new ATOM 0 HB THR A 10 -9.315 1.336 7.897 1.00 10.00 H new ATOM 0 HG1 THR A 10 -8.526 2.785 9.567 1.00 10.00 H new ATOM 0 HG21 THR A 10 -9.948 1.041 10.283 1.00 10.00 H new ATOM 0 HG22 THR A 10 -9.781 -0.525 9.455 1.00 10.00 H new ATOM 0 HG23 THR A 10 -8.493 0.050 10.540 1.00 10.00 H new ATOM 156 N ALA A 11 -8.742 -0.448 5.867 1.00 10.00 N ATOM 157 CA ALA A 11 -9.328 -1.321 4.850 1.00 10.00 C ATOM 158 C ALA A 11 -8.365 -2.445 4.434 1.00 10.00 C ATOM 159 O ALA A 11 -8.733 -3.623 4.440 1.00 10.00 O ATOM 160 CB ALA A 11 -9.777 -0.479 3.655 1.00 10.00 C ATOM 0 H ALA A 11 -8.716 0.536 5.599 1.00 10.00 H new ATOM 0 HA ALA A 11 -10.201 -1.817 5.275 1.00 10.00 H new ATOM 0 HB1 ALA A 11 -10.214 -1.128 2.896 1.00 10.00 H new ATOM 0 HB2 ALA A 11 -10.520 0.249 3.981 1.00 10.00 H new ATOM 0 HB3 ALA A 11 -8.918 0.043 3.235 1.00 10.00 H new ATOM 166 N LEU A 12 -7.116 -2.095 4.107 1.00 10.00 N ATOM 167 CA LEU A 12 -6.060 -3.062 3.826 1.00 10.00 C ATOM 168 C LEU A 12 -5.913 -4.062 4.976 1.00 10.00 C ATOM 169 O LEU A 12 -5.968 -5.257 4.733 1.00 10.00 O ATOM 170 CB LEU A 12 -4.741 -2.362 3.469 1.00 10.00 C ATOM 171 CG LEU A 12 -3.639 -3.360 3.059 1.00 10.00 C ATOM 172 CD1 LEU A 12 -2.715 -2.714 2.023 1.00 10.00 C ATOM 173 CD2 LEU A 12 -2.779 -3.809 4.249 1.00 10.00 C ATOM 0 H LEU A 12 -6.812 -1.124 4.031 1.00 10.00 H new ATOM 0 HA LEU A 12 -6.346 -3.638 2.946 1.00 10.00 H new ATOM 0 HB2 LEU A 12 -4.914 -1.661 2.653 1.00 10.00 H new ATOM 0 HB3 LEU A 12 -4.399 -1.778 4.324 1.00 10.00 H new ATOM 0 HG LEU A 12 -4.145 -4.234 2.649 1.00 10.00 H new ATOM 0 HD11 LEU A 12 -1.938 -3.423 1.736 1.00 10.00 H new ATOM 0 HD12 LEU A 12 -3.294 -2.435 1.143 1.00 10.00 H new ATOM 0 HD13 LEU A 12 -2.254 -1.824 2.451 1.00 10.00 H new ATOM 0 HD21 LEU A 12 -2.019 -4.511 3.905 1.00 10.00 H new ATOM 0 HD22 LEU A 12 -2.295 -2.941 4.696 1.00 10.00 H new ATOM 0 HD23 LEU A 12 -3.411 -4.295 4.992 1.00 10.00 H new ATOM 185 N ILE A 13 -5.756 -3.614 6.224 1.00 10.00 N ATOM 186 CA ILE A 13 -5.646 -4.517 7.372 1.00 10.00 C ATOM 187 C ILE A 13 -6.827 -5.502 7.449 1.00 10.00 C ATOM 188 O ILE A 13 -6.615 -6.712 7.540 1.00 10.00 O ATOM 189 CB ILE A 13 -5.462 -3.715 8.676 1.00 10.00 C ATOM 190 CG1 ILE A 13 -4.105 -2.982 8.729 1.00 10.00 C ATOM 191 CG2 ILE A 13 -5.632 -4.604 9.915 1.00 10.00 C ATOM 192 CD1 ILE A 13 -2.878 -3.899 8.815 1.00 10.00 C ATOM 0 H ILE A 13 -5.702 -2.625 6.466 1.00 10.00 H new ATOM 0 HA ILE A 13 -4.755 -5.130 7.234 1.00 10.00 H new ATOM 0 HB ILE A 13 -6.248 -2.959 8.681 1.00 10.00 H new ATOM 0 HG12 ILE A 13 -4.011 -2.357 7.841 1.00 10.00 H new ATOM 0 HG13 ILE A 13 -4.103 -2.314 9.591 1.00 10.00 H new ATOM 0 HG21 ILE A 13 -5.495 -4.004 10.815 1.00 10.00 H new ATOM 0 HG22 ILE A 13 -6.632 -5.038 9.917 1.00 10.00 H new ATOM 0 HG23 ILE A 13 -4.890 -5.402 9.895 1.00 10.00 H new ATOM 0 HD11 ILE A 13 -1.973 -3.293 8.848 1.00 10.00 H new ATOM 0 HD12 ILE A 13 -2.941 -4.507 9.718 1.00 10.00 H new ATOM 0 HD13 ILE A 13 -2.848 -4.550 7.941 1.00 10.00 H new ATOM 204 N LYS A 14 -8.070 -5.011 7.394 1.00 10.00 N ATOM 205 CA LYS A 14 -9.242 -5.891 7.424 1.00 10.00 C ATOM 206 C LYS A 14 -9.241 -6.906 6.267 1.00 10.00 C ATOM 207 O LYS A 14 -9.334 -8.114 6.490 1.00 10.00 O ATOM 208 CB LYS A 14 -10.532 -5.060 7.429 1.00 10.00 C ATOM 209 CG LYS A 14 -10.707 -4.291 8.746 1.00 10.00 C ATOM 210 CD LYS A 14 -12.123 -3.713 8.888 1.00 10.00 C ATOM 211 CE LYS A 14 -12.520 -2.769 7.746 1.00 10.00 C ATOM 212 NZ LYS A 14 -11.598 -1.626 7.644 1.00 10.00 N ATOM 0 H LYS A 14 -8.289 -4.017 7.329 1.00 10.00 H new ATOM 0 HA LYS A 14 -9.193 -6.470 8.346 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -10.515 -4.357 6.596 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -11.388 -5.716 7.274 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -10.500 -4.956 9.585 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -9.978 -3.482 8.794 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -12.838 -4.534 8.934 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -12.193 -3.175 9.833 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -12.526 -3.318 6.804 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -13.535 -2.406 7.909 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -11.876 -1.026 6.841 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.637 -1.069 8.522 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -10.629 -1.974 7.497 1.00 10.00 H new ATOM 226 N THR A 15 -9.130 -6.425 5.027 1.00 10.00 N ATOM 227 CA THR A 15 -9.117 -7.288 3.839 1.00 10.00 C ATOM 228 C THR A 15 -7.952 -8.288 3.861 1.00 10.00 C ATOM 229 O THR A 15 -8.141 -9.472 3.595 1.00 10.00 O ATOM 230 CB THR A 15 -9.112 -6.453 2.554 1.00 10.00 C ATOM 231 OG1 THR A 15 -8.028 -5.555 2.549 1.00 10.00 O ATOM 232 CG2 THR A 15 -10.410 -5.657 2.401 1.00 10.00 C ATOM 0 H THR A 15 -9.047 -5.431 4.816 1.00 10.00 H new ATOM 0 HA THR A 15 -10.035 -7.875 3.857 1.00 10.00 H new ATOM 0 HB THR A 15 -9.020 -7.149 1.720 1.00 10.00 H new ATOM 0 HG1 THR A 15 -8.211 -4.818 3.169 1.00 10.00 H new ATOM 0 HG21 THR A 15 -10.374 -5.076 1.480 1.00 10.00 H new ATOM 0 HG22 THR A 15 -11.256 -6.344 2.364 1.00 10.00 H new ATOM 0 HG23 THR A 15 -10.526 -4.984 3.250 1.00 10.00 H new ATOM 240 N LEU A 16 -6.753 -7.834 4.233 1.00 10.00 N ATOM 241 CA LEU A 16 -5.587 -8.675 4.492 1.00 10.00 C ATOM 242 C LEU A 16 -5.927 -9.785 5.483 1.00 10.00 C ATOM 243 O LEU A 16 -5.718 -10.958 5.184 1.00 10.00 O ATOM 244 CB LEU A 16 -4.412 -7.816 4.989 1.00 10.00 C ATOM 245 CG LEU A 16 -3.068 -8.565 5.040 1.00 10.00 C ATOM 246 CD1 LEU A 16 -1.932 -7.551 4.871 1.00 10.00 C ATOM 247 CD2 LEU A 16 -2.858 -9.312 6.366 1.00 10.00 C ATOM 0 H LEU A 16 -6.563 -6.841 4.366 1.00 10.00 H new ATOM 0 HA LEU A 16 -5.286 -9.152 3.560 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -4.308 -6.948 4.338 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -4.645 -7.441 5.985 1.00 10.00 H new ATOM 0 HG LEU A 16 -3.074 -9.303 4.238 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.974 -8.069 4.905 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.036 -7.044 3.912 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.977 -6.817 5.676 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.895 -9.822 6.348 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.876 -8.600 7.191 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -3.654 -10.044 6.501 1.00 10.00 H new ATOM 259 N ARG A 17 -6.459 -9.431 6.657 1.00 10.00 N ATOM 260 CA ARG A 17 -6.846 -10.422 7.653 1.00 10.00 C ATOM 261 C ARG A 17 -7.856 -11.429 7.079 1.00 10.00 C ATOM 262 O ARG A 17 -7.673 -12.633 7.234 1.00 10.00 O ATOM 263 CB ARG A 17 -7.370 -9.729 8.920 1.00 10.00 C ATOM 264 CG ARG A 17 -7.441 -10.714 10.096 1.00 10.00 C ATOM 265 CD ARG A 17 -6.063 -10.934 10.737 1.00 10.00 C ATOM 266 NE ARG A 17 -5.976 -12.279 11.326 1.00 10.00 N ATOM 267 CZ ARG A 17 -5.295 -12.649 12.414 1.00 10.00 C ATOM 268 NH1 ARG A 17 -4.614 -11.780 13.155 1.00 10.00 N ATOM 269 NH2 ARG A 17 -5.295 -13.935 12.742 1.00 10.00 N ATOM 0 H ARG A 17 -6.629 -8.465 6.936 1.00 10.00 H new ATOM 0 HA ARG A 17 -5.963 -10.996 7.933 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -6.718 -8.895 9.179 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -8.359 -9.313 8.729 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -8.135 -10.335 10.846 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -7.837 -11.668 9.748 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -5.282 -10.808 9.987 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -5.889 -10.182 11.507 1.00 10.00 H new ATOM 0 HE ARG A 17 -6.496 -13.015 10.848 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -4.600 -10.793 12.899 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -4.106 -12.101 13.979 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -5.805 -14.607 12.169 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -4.785 -14.251 13.567 1.00 10.00 H new ATOM 283 N LYS A 18 -8.895 -10.954 6.386 1.00 10.00 N ATOM 284 CA LYS A 18 -9.856 -11.832 5.718 1.00 10.00 C ATOM 285 C LYS A 18 -9.183 -12.792 4.720 1.00 10.00 C ATOM 286 O LYS A 18 -9.447 -13.990 4.738 1.00 10.00 O ATOM 287 CB LYS A 18 -10.960 -10.986 5.067 1.00 10.00 C ATOM 288 CG LYS A 18 -12.039 -11.880 4.443 1.00 10.00 C ATOM 289 CD LYS A 18 -13.282 -11.054 4.087 1.00 10.00 C ATOM 290 CE LYS A 18 -14.322 -11.891 3.330 1.00 10.00 C ATOM 291 NZ LYS A 18 -14.719 -13.097 4.079 1.00 10.00 N ATOM 0 H LYS A 18 -9.091 -9.959 6.274 1.00 10.00 H new ATOM 0 HA LYS A 18 -10.314 -12.476 6.469 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -11.411 -10.332 5.814 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -10.527 -10.343 4.301 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -11.647 -12.362 3.548 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -12.310 -12.673 5.140 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -13.728 -10.657 4.999 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -12.989 -10.200 3.477 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -15.204 -11.281 3.134 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -13.915 -12.184 2.362 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -15.506 -13.568 3.588 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -13.911 -13.748 4.142 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -15.021 -12.827 5.037 1.00 10.00 H new ATOM 305 N CYS A 19 -8.300 -12.277 3.860 1.00 10.00 N ATOM 306 CA CYS A 19 -7.548 -13.071 2.888 1.00 10.00 C ATOM 307 C CYS A 19 -6.642 -14.120 3.553 1.00 10.00 C ATOM 308 O CYS A 19 -6.658 -15.294 3.186 1.00 10.00 O ATOM 309 CB CYS A 19 -6.723 -12.118 2.014 1.00 10.00 C ATOM 310 SG CYS A 19 -5.696 -12.913 0.751 1.00 10.00 S ATOM 0 H CYS A 19 -8.085 -11.281 3.820 1.00 10.00 H new ATOM 0 HA CYS A 19 -8.258 -13.629 2.278 1.00 10.00 H new ATOM 0 HB2 CYS A 19 -7.404 -11.424 1.521 1.00 10.00 H new ATOM 0 HB3 CYS A 19 -6.078 -11.525 2.662 1.00 10.00 H new ATOM 0 HG CYS A 19 -5.569 -12.117 -0.269 1.00 10.00 H new ATOM 315 N LYS A 20 -5.820 -13.684 4.512 1.00 10.00 N ATOM 316 CA LYS A 20 -4.765 -14.489 5.121 1.00 10.00 C ATOM 317 C LYS A 20 -5.258 -15.407 6.248 1.00 10.00 C ATOM 318 O LYS A 20 -4.646 -16.448 6.483 1.00 10.00 O ATOM 319 CB LYS A 20 -3.660 -13.561 5.650 1.00 10.00 C ATOM 320 CG LYS A 20 -2.930 -12.777 4.548 1.00 10.00 C ATOM 321 CD LYS A 20 -2.200 -13.635 3.500 1.00 10.00 C ATOM 322 CE LYS A 20 -1.132 -14.567 4.094 1.00 10.00 C ATOM 323 NZ LYS A 20 -1.690 -15.867 4.512 1.00 10.00 N ATOM 0 H LYS A 20 -5.873 -12.739 4.893 1.00 10.00 H new ATOM 0 HA LYS A 20 -4.382 -15.146 4.341 1.00 10.00 H new ATOM 0 HB2 LYS A 20 -4.098 -12.855 6.356 1.00 10.00 H new ATOM 0 HB3 LYS A 20 -2.933 -14.155 6.203 1.00 10.00 H new ATOM 0 HG2 LYS A 20 -3.655 -12.145 4.034 1.00 10.00 H new ATOM 0 HG3 LYS A 20 -2.205 -12.113 5.018 1.00 10.00 H new ATOM 0 HD2 LYS A 20 -2.933 -14.235 2.961 1.00 10.00 H new ATOM 0 HD3 LYS A 20 -1.729 -12.977 2.770 1.00 10.00 H new ATOM 0 HE2 LYS A 20 -0.347 -14.732 3.356 1.00 10.00 H new ATOM 0 HE3 LYS A 20 -0.667 -14.082 4.952 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 -0.984 -16.614 4.356 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 -1.938 -15.830 5.521 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 -2.542 -16.075 3.954 1.00 10.00 H new ATOM 337 N ILE A 21 -6.298 -15.002 6.986 1.00 10.00 N ATOM 338 CA ILE A 21 -6.824 -15.656 8.191 1.00 10.00 C ATOM 339 C ILE A 21 -5.855 -15.546 9.381 1.00 10.00 C ATOM 340 O ILE A 21 -6.226 -15.055 10.446 1.00 10.00 O ATOM 341 CB ILE A 21 -7.279 -17.106 7.913 1.00 10.00 C ATOM 342 CG1 ILE A 21 -8.224 -17.216 6.699 1.00 10.00 C ATOM 343 CG2 ILE A 21 -7.939 -17.712 9.161 1.00 10.00 C ATOM 344 CD1 ILE A 21 -9.538 -16.439 6.846 1.00 10.00 C ATOM 0 H ILE A 21 -6.825 -14.162 6.745 1.00 10.00 H new ATOM 0 HA ILE A 21 -7.721 -15.111 8.485 1.00 10.00 H new ATOM 0 HB ILE A 21 -6.382 -17.673 7.667 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -7.701 -16.856 5.813 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -8.455 -18.267 6.528 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -8.253 -18.733 8.947 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -7.225 -17.717 9.984 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -8.808 -17.116 9.439 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -10.141 -16.571 5.948 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -10.087 -16.813 7.710 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -9.321 -15.380 6.984 1.00 10.00 H new ATOM 356 N ILE A 22 -4.609 -15.989 9.202 1.00 10.00 N ATOM 357 CA ILE A 22 -3.517 -15.833 10.160 1.00 10.00 C ATOM 358 C ILE A 22 -2.984 -14.389 10.160 1.00 10.00 C ATOM 359 O ILE A 22 -2.562 -13.934 11.247 1.00 10.00 O ATOM 360 CB ILE A 22 -2.398 -16.841 9.824 1.00 10.00 C ATOM 361 CG1 ILE A 22 -2.916 -18.281 9.630 1.00 10.00 C ATOM 362 CG2 ILE A 22 -1.290 -16.817 10.887 1.00 10.00 C ATOM 363 CD1 ILE A 22 -3.708 -18.833 10.821 1.00 10.00 C ATOM 364 OXT ILE A 22 -2.971 -13.774 9.069 1.00 10.00 O ATOM 0 H ILE A 22 -4.325 -16.483 8.356 1.00 10.00 H new ATOM 0 HA ILE A 22 -3.889 -16.038 11.164 1.00 10.00 H new ATOM 0 HB ILE A 22 -1.984 -16.519 8.868 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -3.549 -18.310 8.743 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -2.067 -18.937 9.438 1.00 10.00 H new ATOM 0 HG21 ILE A 22 -0.516 -17.538 10.622 1.00 10.00 H new ATOM 0 HG22 ILE A 22 -0.855 -15.819 10.936 1.00 10.00 H new ATOM 0 HG23 ILE A 22 -1.712 -17.077 11.858 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -4.035 -19.849 10.601 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -3.074 -18.839 11.708 1.00 10.00 H new ATOM 0 HD13 ILE A 22 -4.579 -18.203 11.002 1.00 10.00 H new ATOM 465 N ILE B 7 1.037 9.765 -4.672 1.00 10.00 N ATOM 466 CA ILE B 7 0.347 9.057 -5.755 1.00 10.00 C ATOM 467 C ILE B 7 0.812 7.593 -5.887 1.00 10.00 C ATOM 468 O ILE B 7 -0.015 6.688 -5.984 1.00 10.00 O ATOM 469 CB ILE B 7 0.391 9.844 -7.080 1.00 10.00 C ATOM 470 CG1 ILE B 7 1.818 10.003 -7.633 1.00 10.00 C ATOM 471 CG2 ILE B 7 -0.304 11.201 -6.898 1.00 10.00 C ATOM 472 CD1 ILE B 7 1.877 10.824 -8.924 1.00 10.00 C ATOM 0 HA ILE B 7 -0.707 8.999 -5.483 1.00 10.00 H new ATOM 0 HB ILE B 7 -0.150 9.266 -7.830 1.00 10.00 H new ATOM 0 HG12 ILE B 7 2.442 10.480 -6.878 1.00 10.00 H new ATOM 0 HG13 ILE B 7 2.241 9.016 -7.818 1.00 10.00 H new ATOM 0 HG21 ILE B 7 -0.271 11.755 -7.836 1.00 10.00 H new ATOM 0 HG22 ILE B 7 -1.342 11.042 -6.606 1.00 10.00 H new ATOM 0 HG23 ILE B 7 0.208 11.771 -6.122 1.00 10.00 H new ATOM 0 HD11 ILE B 7 2.911 10.898 -9.261 1.00 10.00 H new ATOM 0 HD12 ILE B 7 1.279 10.336 -9.693 1.00 10.00 H new ATOM 0 HD13 ILE B 7 1.483 11.823 -8.738 1.00 10.00 H new ATOM 484 N GLU B 8 2.125 7.345 -5.831 1.00 10.00 N ATOM 485 CA GLU B 8 2.694 6.000 -5.866 1.00 10.00 C ATOM 486 C GLU B 8 2.168 5.146 -4.698 1.00 10.00 C ATOM 487 O GLU B 8 1.637 4.054 -4.897 1.00 10.00 O ATOM 488 CB GLU B 8 4.231 6.077 -5.842 1.00 10.00 C ATOM 489 CG GLU B 8 4.854 6.759 -7.077 1.00 10.00 C ATOM 490 CD GLU B 8 4.771 8.286 -7.100 1.00 10.00 C ATOM 491 OE1 GLU B 8 4.444 8.876 -6.046 1.00 10.00 O ATOM 492 OE2 GLU B 8 5.036 8.844 -8.186 1.00 10.00 O ATOM 0 H GLU B 8 2.827 8.082 -5.759 1.00 10.00 H new ATOM 0 HA GLU B 8 2.384 5.517 -6.793 1.00 10.00 H new ATOM 0 HB2 GLU B 8 4.542 6.618 -4.948 1.00 10.00 H new ATOM 0 HB3 GLU B 8 4.632 5.067 -5.759 1.00 10.00 H new ATOM 0 HG2 GLU B 8 5.903 6.469 -7.140 1.00 10.00 H new ATOM 0 HG3 GLU B 8 4.362 6.373 -7.970 1.00 10.00 H new ATOM 499 N ALA B 9 2.308 5.662 -3.475 1.00 10.00 N ATOM 500 CA ALA B 9 1.851 5.011 -2.254 1.00 10.00 C ATOM 501 C ALA B 9 0.346 4.713 -2.293 1.00 10.00 C ATOM 502 O ALA B 9 -0.073 3.615 -1.944 1.00 10.00 O ATOM 503 CB ALA B 9 2.222 5.884 -1.053 1.00 10.00 C ATOM 0 H ALA B 9 2.753 6.564 -3.307 1.00 10.00 H new ATOM 0 HA ALA B 9 2.349 4.046 -2.162 1.00 10.00 H new ATOM 0 HB1 ALA B 9 1.883 5.403 -0.135 1.00 10.00 H new ATOM 0 HB2 ALA B 9 3.304 6.013 -1.017 1.00 10.00 H new ATOM 0 HB3 ALA B 9 1.744 6.859 -1.150 1.00 10.00 H new ATOM 509 N ARG B 10 -0.464 5.676 -2.742 1.00 10.00 N ATOM 510 CA ARG B 10 -1.904 5.531 -2.923 1.00 10.00 C ATOM 511 C ARG B 10 -2.228 4.411 -3.919 1.00 10.00 C ATOM 512 O ARG B 10 -3.014 3.518 -3.611 1.00 10.00 O ATOM 513 CB ARG B 10 -2.501 6.872 -3.375 1.00 10.00 C ATOM 514 CG ARG B 10 -4.034 6.873 -3.282 1.00 10.00 C ATOM 515 CD ARG B 10 -4.651 8.060 -4.028 1.00 10.00 C ATOM 516 NE ARG B 10 -4.121 9.348 -3.554 1.00 10.00 N ATOM 517 CZ ARG B 10 -4.543 10.549 -3.962 1.00 10.00 C ATOM 518 NH1 ARG B 10 -5.573 10.677 -4.791 1.00 10.00 N ATOM 519 NH2 ARG B 10 -3.939 11.653 -3.537 1.00 10.00 N ATOM 0 H ARG B 10 -0.122 6.603 -2.996 1.00 10.00 H new ATOM 0 HA ARG B 10 -2.354 5.250 -1.971 1.00 10.00 H new ATOM 0 HB2 ARG B 10 -2.099 7.676 -2.758 1.00 10.00 H new ATOM 0 HB3 ARG B 10 -2.199 7.077 -4.402 1.00 10.00 H new ATOM 0 HG2 ARG B 10 -4.423 5.943 -3.695 1.00 10.00 H new ATOM 0 HG3 ARG B 10 -4.334 6.907 -2.235 1.00 10.00 H new ATOM 0 HD2 ARG B 10 -4.455 7.958 -5.095 1.00 10.00 H new ATOM 0 HD3 ARG B 10 -5.733 8.045 -3.900 1.00 10.00 H new ATOM 0 HE ARG B 10 -3.374 9.323 -2.860 1.00 10.00 H new ATOM 0 HH11 ARG B 10 -6.061 9.848 -5.130 1.00 10.00 H new ATOM 0 HH12 ARG B 10 -5.876 11.604 -5.088 1.00 10.00 H new ATOM 0 HH21 ARG B 10 -3.149 11.587 -2.896 1.00 10.00 H new ATOM 0 HH22 ARG B 10 -4.266 12.567 -3.852 1.00 10.00 H new ATOM 533 N LYS B 11 -1.619 4.444 -5.110 1.00 10.00 N ATOM 534 CA LYS B 11 -1.781 3.393 -6.115 1.00 10.00 C ATOM 535 C LYS B 11 -1.418 2.014 -5.544 1.00 10.00 C ATOM 536 O LYS B 11 -2.214 1.081 -5.625 1.00 10.00 O ATOM 537 CB LYS B 11 -0.938 3.730 -7.352 1.00 10.00 C ATOM 538 CG LYS B 11 -1.535 4.910 -8.131 1.00 10.00 C ATOM 539 CD LYS B 11 -0.515 5.431 -9.149 1.00 10.00 C ATOM 540 CE LYS B 11 -1.087 6.634 -9.901 1.00 10.00 C ATOM 541 NZ LYS B 11 -0.095 7.195 -10.835 1.00 10.00 N ATOM 0 H LYS B 11 -1.001 5.201 -5.402 1.00 10.00 H new ATOM 0 HA LYS B 11 -2.829 3.346 -6.410 1.00 10.00 H new ATOM 0 HB2 LYS B 11 0.080 3.972 -7.046 1.00 10.00 H new ATOM 0 HB3 LYS B 11 -0.877 2.857 -8.002 1.00 10.00 H new ATOM 0 HG2 LYS B 11 -2.445 4.596 -8.643 1.00 10.00 H new ATOM 0 HG3 LYS B 11 -1.815 5.707 -7.443 1.00 10.00 H new ATOM 0 HD2 LYS B 11 0.406 5.716 -8.639 1.00 10.00 H new ATOM 0 HD3 LYS B 11 -0.258 4.641 -9.854 1.00 10.00 H new ATOM 0 HE2 LYS B 11 -1.979 6.333 -10.450 1.00 10.00 H new ATOM 0 HE3 LYS B 11 -1.394 7.400 -9.189 1.00 10.00 H new ATOM 0 HZ1 LYS B 11 -0.508 8.010 -11.332 1.00 10.00 H new ATOM 0 HZ2 LYS B 11 0.745 7.503 -10.305 1.00 10.00 H new ATOM 0 HZ3 LYS B 11 0.179 6.469 -11.528 1.00 10.00 H new ATOM 555 N TYR B 12 -0.234 1.886 -4.939 1.00 10.00 N ATOM 556 CA TYR B 12 0.216 0.658 -4.286 1.00 10.00 C ATOM 557 C TYR B 12 -0.777 0.175 -3.212 1.00 10.00 C ATOM 558 O TYR B 12 -1.283 -0.944 -3.282 1.00 10.00 O ATOM 559 CB TYR B 12 1.615 0.904 -3.711 1.00 10.00 C ATOM 560 CG TYR B 12 2.221 -0.284 -2.994 1.00 10.00 C ATOM 561 CD1 TYR B 12 2.885 -1.286 -3.726 1.00 10.00 C ATOM 562 CD2 TYR B 12 2.170 -0.361 -1.589 1.00 10.00 C ATOM 563 CE1 TYR B 12 3.526 -2.339 -3.052 1.00 10.00 C ATOM 564 CE2 TYR B 12 2.824 -1.408 -0.916 1.00 10.00 C ATOM 565 CZ TYR B 12 3.512 -2.388 -1.651 1.00 10.00 C ATOM 566 OH TYR B 12 4.198 -3.367 -1.003 1.00 10.00 O ATOM 0 H TYR B 12 0.447 2.644 -4.889 1.00 10.00 H new ATOM 0 HA TYR B 12 0.262 -0.147 -5.019 1.00 10.00 H new ATOM 0 HB2 TYR B 12 2.280 1.199 -4.523 1.00 10.00 H new ATOM 0 HB3 TYR B 12 1.566 1.744 -3.018 1.00 10.00 H new ATOM 0 HD1 TYR B 12 2.902 -1.246 -4.805 1.00 10.00 H new ATOM 0 HD2 TYR B 12 1.628 0.385 -1.027 1.00 10.00 H new ATOM 0 HE1 TYR B 12 4.030 -3.111 -3.614 1.00 10.00 H new ATOM 0 HE2 TYR B 12 2.798 -1.459 0.162 1.00 10.00 H new ATOM 0 HH TYR B 12 4.498 -3.034 -0.131 1.00 10.00 H new ATOM 576 N LEU B 13 -1.073 1.030 -2.230 1.00 10.00 N ATOM 577 CA LEU B 13 -2.054 0.788 -1.175 1.00 10.00 C ATOM 578 C LEU B 13 -3.380 0.277 -1.751 1.00 10.00 C ATOM 579 O LEU B 13 -3.857 -0.788 -1.365 1.00 10.00 O ATOM 580 CB LEU B 13 -2.239 2.089 -0.373 1.00 10.00 C ATOM 581 CG LEU B 13 -3.363 2.067 0.676 1.00 10.00 C ATOM 582 CD1 LEU B 13 -3.149 0.964 1.714 1.00 10.00 C ATOM 583 CD2 LEU B 13 -3.404 3.423 1.388 1.00 10.00 C ATOM 0 H LEU B 13 -0.620 1.940 -2.147 1.00 10.00 H new ATOM 0 HA LEU B 13 -1.692 0.005 -0.508 1.00 10.00 H new ATOM 0 HB2 LEU B 13 -1.301 2.321 0.131 1.00 10.00 H new ATOM 0 HB3 LEU B 13 -2.435 2.902 -1.073 1.00 10.00 H new ATOM 0 HG LEU B 13 -4.304 1.868 0.162 1.00 10.00 H new ATOM 0 HD11 LEU B 13 -3.964 0.982 2.437 1.00 10.00 H new ATOM 0 HD12 LEU B 13 -3.127 -0.005 1.216 1.00 10.00 H new ATOM 0 HD13 LEU B 13 -2.203 1.128 2.230 1.00 10.00 H new ATOM 0 HD21 LEU B 13 -4.198 3.418 2.134 1.00 10.00 H new ATOM 0 HD22 LEU B 13 -2.447 3.606 1.877 1.00 10.00 H new ATOM 0 HD23 LEU B 13 -3.596 4.211 0.660 1.00 10.00 H new ATOM 595 N GLU B 14 -3.962 1.028 -2.692 1.00 10.00 N ATOM 596 CA GLU B 14 -5.217 0.668 -3.339 1.00 10.00 C ATOM 597 C GLU B 14 -5.115 -0.669 -4.090 1.00 10.00 C ATOM 598 O GLU B 14 -6.020 -1.493 -3.997 1.00 10.00 O ATOM 599 CB GLU B 14 -5.670 1.818 -4.248 1.00 10.00 C ATOM 600 CG GLU B 14 -7.081 1.585 -4.818 1.00 10.00 C ATOM 601 CD GLU B 14 -8.149 1.479 -3.730 1.00 10.00 C ATOM 602 OE1 GLU B 14 -8.557 2.550 -3.231 1.00 10.00 O ATOM 603 OE2 GLU B 14 -8.530 0.333 -3.404 1.00 10.00 O ATOM 0 H GLU B 14 -3.568 1.908 -3.025 1.00 10.00 H new ATOM 0 HA GLU B 14 -5.977 0.516 -2.573 1.00 10.00 H new ATOM 0 HB2 GLU B 14 -5.657 2.751 -3.685 1.00 10.00 H new ATOM 0 HB3 GLU B 14 -4.962 1.931 -5.069 1.00 10.00 H new ATOM 0 HG2 GLU B 14 -7.335 2.403 -5.492 1.00 10.00 H new ATOM 0 HG3 GLU B 14 -7.082 0.671 -5.412 1.00 10.00 H new ATOM 610 N GLN B 15 -4.021 -0.907 -4.821 1.00 10.00 N ATOM 611 CA GLN B 15 -3.778 -2.178 -5.496 1.00 10.00 C ATOM 612 C GLN B 15 -3.777 -3.350 -4.502 1.00 10.00 C ATOM 613 O GLN B 15 -4.534 -4.306 -4.670 1.00 10.00 O ATOM 614 CB GLN B 15 -2.461 -2.097 -6.283 1.00 10.00 C ATOM 615 CG GLN B 15 -2.240 -3.351 -7.141 1.00 10.00 C ATOM 616 CD GLN B 15 -0.846 -3.398 -7.754 1.00 10.00 C ATOM 617 OE1 GLN B 15 -0.104 -4.350 -7.550 1.00 10.00 O ATOM 618 NE2 GLN B 15 -0.470 -2.384 -8.517 1.00 10.00 N ATOM 0 H GLN B 15 -3.280 -0.220 -4.959 1.00 10.00 H new ATOM 0 HA GLN B 15 -4.590 -2.367 -6.198 1.00 10.00 H new ATOM 0 HB2 GLN B 15 -2.472 -1.215 -6.923 1.00 10.00 H new ATOM 0 HB3 GLN B 15 -1.628 -1.978 -5.590 1.00 10.00 H new ATOM 0 HG2 GLN B 15 -2.394 -4.239 -6.528 1.00 10.00 H new ATOM 0 HG3 GLN B 15 -2.985 -3.379 -7.936 1.00 10.00 H new ATOM 0 HE21 GLN B 15 -1.104 -1.601 -8.674 1.00 10.00 H new ATOM 0 HE22 GLN B 15 0.454 -2.386 -8.948 1.00 10.00 H new ATOM 627 N LEU B 16 -2.937 -3.278 -3.463 1.00 10.00 N ATOM 628 CA LEU B 16 -2.880 -4.302 -2.420 1.00 10.00 C ATOM 629 C LEU B 16 -4.260 -4.508 -1.780 1.00 10.00 C ATOM 630 O LEU B 16 -4.777 -5.623 -1.775 1.00 10.00 O ATOM 631 CB LEU B 16 -1.820 -3.950 -1.362 1.00 10.00 C ATOM 632 CG LEU B 16 -0.420 -4.497 -1.689 1.00 10.00 C ATOM 633 CD1 LEU B 16 0.212 -3.847 -2.923 1.00 10.00 C ATOM 634 CD2 LEU B 16 0.499 -4.273 -0.483 1.00 10.00 C ATOM 0 H LEU B 16 -2.281 -2.510 -3.324 1.00 10.00 H new ATOM 0 HA LEU B 16 -2.585 -5.243 -2.884 1.00 10.00 H new ATOM 0 HB2 LEU B 16 -1.764 -2.866 -1.263 1.00 10.00 H new ATOM 0 HB3 LEU B 16 -2.138 -4.342 -0.396 1.00 10.00 H new ATOM 0 HG LEU B 16 -0.537 -5.558 -1.911 1.00 10.00 H new ATOM 0 HD11 LEU B 16 1.198 -4.279 -3.097 1.00 10.00 H new ATOM 0 HD12 LEU B 16 -0.421 -4.025 -3.792 1.00 10.00 H new ATOM 0 HD13 LEU B 16 0.310 -2.774 -2.759 1.00 10.00 H new ATOM 0 HD21 LEU B 16 1.494 -4.658 -0.707 1.00 10.00 H new ATOM 0 HD22 LEU B 16 0.563 -3.206 -0.267 1.00 10.00 H new ATOM 0 HD23 LEU B 16 0.095 -4.795 0.384 1.00 10.00 H new ATOM 646 N HIS B 17 -4.872 -3.430 -1.277 1.00 10.00 N ATOM 647 CA HIS B 17 -6.236 -3.443 -0.753 1.00 10.00 C ATOM 648 C HIS B 17 -7.206 -4.168 -1.698 1.00 10.00 C ATOM 649 O HIS B 17 -7.877 -5.111 -1.293 1.00 10.00 O ATOM 650 CB HIS B 17 -6.685 -2.000 -0.490 1.00 10.00 C ATOM 651 CG HIS B 17 -8.169 -1.859 -0.268 1.00 10.00 C ATOM 652 ND1 HIS B 17 -9.045 -1.221 -1.117 1.00 10.00 N ATOM 653 CD2 HIS B 17 -8.906 -2.458 0.718 1.00 10.00 C ATOM 654 CE1 HIS B 17 -10.284 -1.417 -0.639 1.00 10.00 C ATOM 655 NE2 HIS B 17 -10.253 -2.166 0.476 1.00 10.00 N ATOM 0 H HIS B 17 -4.426 -2.514 -1.223 1.00 10.00 H new ATOM 0 HA HIS B 17 -6.247 -4.001 0.184 1.00 10.00 H new ATOM 0 HB2 HIS B 17 -6.158 -1.618 0.384 1.00 10.00 H new ATOM 0 HB3 HIS B 17 -6.392 -1.378 -1.336 1.00 10.00 H new ATOM 0 HD1 HIS B 17 -8.798 -0.696 -1.956 1.00 10.00 H new ATOM 0 HD2 HIS B 17 -8.518 -3.049 1.535 1.00 10.00 H new ATOM 0 HE1 HIS B 17 -11.184 -1.026 -1.090 1.00 10.00 H new ATOM 663 N ARG B 18 -7.278 -3.746 -2.964 1.00 10.00 N ATOM 664 CA ARG B 18 -8.143 -4.356 -3.966 1.00 10.00 C ATOM 665 C ARG B 18 -7.872 -5.858 -4.125 1.00 10.00 C ATOM 666 O ARG B 18 -8.803 -6.660 -4.064 1.00 10.00 O ATOM 667 CB ARG B 18 -8.012 -3.607 -5.297 1.00 10.00 C ATOM 668 CG ARG B 18 -8.899 -4.257 -6.365 1.00 10.00 C ATOM 669 CD ARG B 18 -8.945 -3.421 -7.646 1.00 10.00 C ATOM 670 NE ARG B 18 -9.659 -4.148 -8.708 1.00 10.00 N ATOM 671 CZ ARG B 18 -10.978 -4.362 -8.770 1.00 10.00 C ATOM 672 NH1 ARG B 18 -11.803 -3.844 -7.864 1.00 10.00 N ATOM 673 NH2 ARG B 18 -11.475 -5.107 -9.753 1.00 10.00 N ATOM 0 H ARG B 18 -6.730 -2.963 -3.321 1.00 10.00 H new ATOM 0 HA ARG B 18 -9.174 -4.270 -3.623 1.00 10.00 H new ATOM 0 HB2 ARG B 18 -8.297 -2.563 -5.164 1.00 10.00 H new ATOM 0 HB3 ARG B 18 -6.973 -3.614 -5.625 1.00 10.00 H new ATOM 0 HG2 ARG B 18 -8.522 -5.254 -6.594 1.00 10.00 H new ATOM 0 HG3 ARG B 18 -9.909 -4.380 -5.974 1.00 10.00 H new ATOM 0 HD2 ARG B 18 -9.442 -2.471 -7.450 1.00 10.00 H new ATOM 0 HD3 ARG B 18 -7.931 -3.189 -7.973 1.00 10.00 H new ATOM 0 HE ARG B 18 -9.094 -4.525 -9.469 1.00 10.00 H new ATOM 0 HH11 ARG B 18 -11.433 -3.272 -7.105 1.00 10.00 H new ATOM 0 HH12 ARG B 18 -12.806 -4.019 -7.928 1.00 10.00 H new ATOM 0 HH21 ARG B 18 -10.852 -5.510 -10.452 1.00 10.00 H new ATOM 0 HH22 ARG B 18 -12.480 -5.275 -9.808 1.00 10.00 H new ATOM 687 N LYS B 19 -6.616 -6.258 -4.338 1.00 10.00 N ATOM 688 CA LYS B 19 -6.253 -7.671 -4.453 1.00 10.00 C ATOM 689 C LYS B 19 -6.706 -8.468 -3.218 1.00 10.00 C ATOM 690 O LYS B 19 -7.388 -9.486 -3.333 1.00 10.00 O ATOM 691 CB LYS B 19 -4.743 -7.796 -4.690 1.00 10.00 C ATOM 692 CG LYS B 19 -4.374 -7.352 -6.111 1.00 10.00 C ATOM 693 CD LYS B 19 -2.854 -7.375 -6.302 1.00 10.00 C ATOM 694 CE LYS B 19 -2.514 -7.110 -7.772 1.00 10.00 C ATOM 695 NZ LYS B 19 -1.056 -7.019 -7.978 1.00 10.00 N ATOM 0 H LYS B 19 -5.829 -5.617 -4.435 1.00 10.00 H new ATOM 0 HA LYS B 19 -6.773 -8.102 -5.309 1.00 10.00 H new ATOM 0 HB2 LYS B 19 -4.205 -7.187 -3.963 1.00 10.00 H new ATOM 0 HB3 LYS B 19 -4.431 -8.829 -4.535 1.00 10.00 H new ATOM 0 HG2 LYS B 19 -4.848 -8.011 -6.839 1.00 10.00 H new ATOM 0 HG3 LYS B 19 -4.755 -6.347 -6.295 1.00 10.00 H new ATOM 0 HD2 LYS B 19 -2.387 -6.621 -5.669 1.00 10.00 H new ATOM 0 HD3 LYS B 19 -2.454 -8.341 -5.995 1.00 10.00 H new ATOM 0 HE2 LYS B 19 -2.922 -7.909 -8.391 1.00 10.00 H new ATOM 0 HE3 LYS B 19 -2.987 -6.183 -8.095 1.00 10.00 H new ATOM 0 HZ1 LYS B 19 -0.825 -7.295 -8.954 1.00 10.00 H new ATOM 0 HZ2 LYS B 19 -0.742 -6.042 -7.811 1.00 10.00 H new ATOM 0 HZ3 LYS B 19 -0.571 -7.656 -7.314 1.00 10.00 H new ATOM 709 N LEU B 20 -6.367 -7.978 -2.026 1.00 10.00 N ATOM 710 CA LEU B 20 -6.740 -8.607 -0.763 1.00 10.00 C ATOM 711 C LEU B 20 -8.265 -8.624 -0.546 1.00 10.00 C ATOM 712 O LEU B 20 -8.802 -9.573 0.015 1.00 10.00 O ATOM 713 CB LEU B 20 -5.978 -7.922 0.380 1.00 10.00 C ATOM 714 CG LEU B 20 -4.449 -8.078 0.230 1.00 10.00 C ATOM 715 CD1 LEU B 20 -3.739 -7.075 1.140 1.00 10.00 C ATOM 716 CD2 LEU B 20 -3.974 -9.497 0.565 1.00 10.00 C ATOM 0 H LEU B 20 -5.820 -7.125 -1.911 1.00 10.00 H new ATOM 0 HA LEU B 20 -6.451 -9.658 -0.787 1.00 10.00 H new ATOM 0 HB2 LEU B 20 -6.234 -6.863 0.403 1.00 10.00 H new ATOM 0 HB3 LEU B 20 -6.294 -8.347 1.333 1.00 10.00 H new ATOM 0 HG LEU B 20 -4.201 -7.885 -0.814 1.00 10.00 H new ATOM 0 HD11 LEU B 20 -2.660 -7.187 1.033 1.00 10.00 H new ATOM 0 HD12 LEU B 20 -4.028 -6.062 0.861 1.00 10.00 H new ATOM 0 HD13 LEU B 20 -4.022 -7.260 2.176 1.00 10.00 H new ATOM 0 HD21 LEU B 20 -2.892 -9.556 0.445 1.00 10.00 H new ATOM 0 HD22 LEU B 20 -4.238 -9.735 1.595 1.00 10.00 H new ATOM 0 HD23 LEU B 20 -4.453 -10.209 -0.107 1.00 10.00 H new ATOM 728 N LYS B 21 -8.986 -7.606 -1.025 1.00 10.00 N ATOM 729 CA LYS B 21 -10.447 -7.574 -1.029 1.00 10.00 C ATOM 730 C LYS B 21 -11.036 -8.617 -1.994 1.00 10.00 C ATOM 731 O LYS B 21 -11.998 -9.303 -1.658 1.00 10.00 O ATOM 732 CB LYS B 21 -10.916 -6.152 -1.367 1.00 10.00 C ATOM 733 CG LYS B 21 -12.417 -5.971 -1.119 1.00 10.00 C ATOM 734 CD LYS B 21 -12.784 -4.494 -1.302 1.00 10.00 C ATOM 735 CE LYS B 21 -14.277 -4.280 -1.044 1.00 10.00 C ATOM 736 NZ LYS B 21 -14.638 -2.859 -1.186 1.00 10.00 N ATOM 0 H LYS B 21 -8.562 -6.770 -1.426 1.00 10.00 H new ATOM 0 HA LYS B 21 -10.812 -7.840 -0.037 1.00 10.00 H new ATOM 0 HB2 LYS B 21 -10.359 -5.434 -0.765 1.00 10.00 H new ATOM 0 HB3 LYS B 21 -10.692 -5.934 -2.411 1.00 10.00 H new ATOM 0 HG2 LYS B 21 -12.989 -6.589 -1.811 1.00 10.00 H new ATOM 0 HG3 LYS B 21 -12.674 -6.300 -0.112 1.00 10.00 H new ATOM 0 HD2 LYS B 21 -12.198 -3.880 -0.618 1.00 10.00 H new ATOM 0 HD3 LYS B 21 -12.533 -4.173 -2.313 1.00 10.00 H new ATOM 0 HE2 LYS B 21 -14.860 -4.879 -1.743 1.00 10.00 H new ATOM 0 HE3 LYS B 21 -14.530 -4.625 -0.041 1.00 10.00 H new ATOM 0 HZ1 LYS B 21 -15.655 -2.740 -1.006 1.00 10.00 H new ATOM 0 HZ2 LYS B 21 -14.097 -2.293 -0.501 1.00 10.00 H new ATOM 0 HZ3 LYS B 21 -14.417 -2.539 -2.151 1.00 10.00 H new ATOM 750 N ASN B 22 -10.457 -8.751 -3.192 1.00 10.00 N ATOM 751 CA ASN B 22 -10.823 -9.803 -4.142 1.00 10.00 C ATOM 752 C ASN B 22 -10.538 -11.203 -3.572 1.00 10.00 C ATOM 753 O ASN B 22 -11.327 -12.124 -3.786 1.00 10.00 O ATOM 754 CB ASN B 22 -10.128 -9.585 -5.493 1.00 10.00 C ATOM 755 CG ASN B 22 -10.846 -8.547 -6.351 1.00 10.00 C ATOM 756 OD1 ASN B 22 -11.608 -8.887 -7.246 1.00 10.00 O ATOM 757 ND2 ASN B 22 -10.619 -7.265 -6.107 1.00 10.00 N ATOM 0 H ASN B 22 -9.720 -8.131 -3.529 1.00 10.00 H new ATOM 0 HA ASN B 22 -11.898 -9.743 -4.311 1.00 10.00 H new ATOM 0 HB2 ASN B 22 -9.100 -9.265 -5.323 1.00 10.00 H new ATOM 0 HB3 ASN B 22 -10.082 -10.531 -6.033 1.00 10.00 H new ATOM 0 HD21 ASN B 22 -11.081 -6.549 -6.668 1.00 10.00 H new ATOM 0 HD22 ASN B 22 -9.982 -6.993 -5.358 1.00 10.00 H new ATOM 914 N PRO C 7 5.928 6.068 6.240 1.00 10.00 N ATOM 915 CA PRO C 7 6.881 4.979 5.995 1.00 10.00 C ATOM 916 C PRO C 7 6.676 3.718 6.851 1.00 10.00 C ATOM 917 O PRO C 7 6.900 2.601 6.381 1.00 10.00 O ATOM 918 CB PRO C 7 8.261 5.598 6.229 1.00 10.00 C ATOM 919 CG PRO C 7 8.052 7.043 5.781 1.00 10.00 C ATOM 920 CD PRO C 7 6.626 7.346 6.240 1.00 10.00 C ATOM 0 HA PRO C 7 6.743 4.602 4.982 1.00 10.00 H new ATOM 0 HB2 PRO C 7 8.562 5.536 7.275 1.00 10.00 H new ATOM 0 HB3 PRO C 7 9.034 5.099 5.645 1.00 10.00 H new ATOM 0 HG2 PRO C 7 8.775 7.716 6.241 1.00 10.00 H new ATOM 0 HG3 PRO C 7 8.159 7.150 4.702 1.00 10.00 H new ATOM 0 HD2 PRO C 7 6.622 7.793 7.234 1.00 10.00 H new ATOM 0 HD3 PRO C 7 6.142 8.056 5.569 1.00 10.00 H new ATOM 928 N GLY C 8 6.220 3.889 8.097 1.00 10.00 N ATOM 929 CA GLY C 8 5.797 2.794 8.969 1.00 10.00 C ATOM 930 C GLY C 8 4.872 1.784 8.273 1.00 10.00 C ATOM 931 O GLY C 8 5.007 0.585 8.487 1.00 10.00 O ATOM 0 H GLY C 8 6.134 4.808 8.532 1.00 10.00 H new ATOM 0 HA2 GLY C 8 6.680 2.272 9.339 1.00 10.00 H new ATOM 0 HA3 GLY C 8 5.284 3.208 9.837 1.00 10.00 H new ATOM 935 N PHE C 9 3.960 2.253 7.412 1.00 10.00 N ATOM 936 CA PHE C 9 3.149 1.399 6.546 1.00 10.00 C ATOM 937 C PHE C 9 4.020 0.508 5.652 1.00 10.00 C ATOM 938 O PHE C 9 3.891 -0.711 5.670 1.00 10.00 O ATOM 939 CB PHE C 9 2.222 2.272 5.695 1.00 10.00 C ATOM 940 CG PHE C 9 1.498 1.512 4.604 1.00 10.00 C ATOM 941 CD1 PHE C 9 0.463 0.624 4.940 1.00 10.00 C ATOM 942 CD2 PHE C 9 1.947 1.592 3.272 1.00 10.00 C ATOM 943 CE1 PHE C 9 -0.157 -0.146 3.941 1.00 10.00 C ATOM 944 CE2 PHE C 9 1.324 0.828 2.273 1.00 10.00 C ATOM 945 CZ PHE C 9 0.273 -0.043 2.606 1.00 10.00 C ATOM 0 H PHE C 9 3.765 3.248 7.299 1.00 10.00 H new ATOM 0 HA PHE C 9 2.553 0.738 7.175 1.00 10.00 H new ATOM 0 HB2 PHE C 9 1.486 2.745 6.345 1.00 10.00 H new ATOM 0 HB3 PHE C 9 2.807 3.072 5.241 1.00 10.00 H new ATOM 0 HD1 PHE C 9 0.143 0.533 5.967 1.00 10.00 H new ATOM 0 HD2 PHE C 9 2.772 2.242 3.019 1.00 10.00 H new ATOM 0 HE1 PHE C 9 -0.963 -0.817 4.198 1.00 10.00 H new ATOM 0 HE2 PHE C 9 1.653 0.910 1.247 1.00 10.00 H new ATOM 0 HZ PHE C 9 -0.204 -0.633 1.837 1.00 10.00 H new ATOM 955 N THR C 10 4.920 1.107 4.871 1.00 10.00 N ATOM 956 CA THR C 10 5.828 0.374 3.991 1.00 10.00 C ATOM 957 C THR C 10 6.622 -0.679 4.774 1.00 10.00 C ATOM 958 O THR C 10 6.682 -1.846 4.382 1.00 10.00 O ATOM 959 CB THR C 10 6.757 1.369 3.281 1.00 10.00 C ATOM 960 OG1 THR C 10 5.978 2.405 2.716 1.00 10.00 O ATOM 961 CG2 THR C 10 7.549 0.696 2.161 1.00 10.00 C ATOM 0 H THR C 10 5.039 2.119 4.832 1.00 10.00 H new ATOM 0 HA THR C 10 5.248 -0.161 3.239 1.00 10.00 H new ATOM 0 HB THR C 10 7.458 1.760 4.018 1.00 10.00 H new ATOM 0 HG1 THR C 10 6.565 3.045 2.262 1.00 10.00 H new ATOM 0 HG21 THR C 10 8.196 1.430 1.681 1.00 10.00 H new ATOM 0 HG22 THR C 10 8.158 -0.107 2.577 1.00 10.00 H new ATOM 0 HG23 THR C 10 6.859 0.283 1.425 1.00 10.00 H new ATOM 969 N ALA C 11 7.199 -0.271 5.910 1.00 10.00 N ATOM 970 CA ALA C 11 7.900 -1.177 6.818 1.00 10.00 C ATOM 971 C ALA C 11 6.993 -2.323 7.305 1.00 10.00 C ATOM 972 O ALA C 11 7.364 -3.495 7.220 1.00 10.00 O ATOM 973 CB ALA C 11 8.479 -0.371 7.982 1.00 10.00 C ATOM 0 H ALA C 11 7.191 0.700 6.223 1.00 10.00 H new ATOM 0 HA ALA C 11 8.717 -1.654 6.278 1.00 10.00 H new ATOM 0 HB1 ALA C 11 9.003 -1.041 8.663 1.00 10.00 H new ATOM 0 HB2 ALA C 11 9.176 0.374 7.598 1.00 10.00 H new ATOM 0 HB3 ALA C 11 7.671 0.129 8.516 1.00 10.00 H new ATOM 979 N LEU C 12 5.790 -1.997 7.789 1.00 10.00 N ATOM 980 CA LEU C 12 4.765 -2.966 8.173 1.00 10.00 C ATOM 981 C LEU C 12 4.506 -3.965 7.042 1.00 10.00 C ATOM 982 O LEU C 12 4.647 -5.163 7.251 1.00 10.00 O ATOM 983 CB LEU C 12 3.498 -2.223 8.624 1.00 10.00 C ATOM 984 CG LEU C 12 2.377 -3.098 9.216 1.00 10.00 C ATOM 985 CD1 LEU C 12 1.415 -2.160 9.953 1.00 10.00 C ATOM 986 CD2 LEU C 12 1.564 -3.859 8.158 1.00 10.00 C ATOM 0 H LEU C 12 5.498 -1.029 7.927 1.00 10.00 H new ATOM 0 HA LEU C 12 5.115 -3.557 9.020 1.00 10.00 H new ATOM 0 HB2 LEU C 12 3.782 -1.479 9.368 1.00 10.00 H new ATOM 0 HB3 LEU C 12 3.095 -1.680 7.769 1.00 10.00 H new ATOM 0 HG LEU C 12 2.844 -3.843 9.860 1.00 10.00 H new ATOM 0 HD11 LEU C 12 0.603 -2.741 10.389 1.00 10.00 H new ATOM 0 HD12 LEU C 12 1.952 -1.636 10.744 1.00 10.00 H new ATOM 0 HD13 LEU C 12 1.005 -1.434 9.251 1.00 10.00 H new ATOM 0 HD21 LEU C 12 0.794 -4.453 8.649 1.00 10.00 H new ATOM 0 HD22 LEU C 12 1.095 -3.147 7.478 1.00 10.00 H new ATOM 0 HD23 LEU C 12 2.226 -4.517 7.595 1.00 10.00 H new ATOM 998 N ILE C 13 4.165 -3.502 5.836 1.00 10.00 N ATOM 999 CA ILE C 13 3.936 -4.386 4.694 1.00 10.00 C ATOM 1000 C ILE C 13 5.146 -5.293 4.425 1.00 10.00 C ATOM 1001 O ILE C 13 4.990 -6.510 4.350 1.00 10.00 O ATOM 1002 CB ILE C 13 3.525 -3.583 3.446 1.00 10.00 C ATOM 1003 CG1 ILE C 13 2.192 -2.830 3.630 1.00 10.00 C ATOM 1004 CG2 ILE C 13 3.434 -4.494 2.212 1.00 10.00 C ATOM 1005 CD1 ILE C 13 0.960 -3.727 3.794 1.00 10.00 C ATOM 0 H ILE C 13 4.041 -2.511 5.626 1.00 10.00 H new ATOM 0 HA ILE C 13 3.104 -5.044 4.945 1.00 10.00 H new ATOM 0 HB ILE C 13 4.306 -2.838 3.295 1.00 10.00 H new ATOM 0 HG12 ILE C 13 2.273 -2.186 4.506 1.00 10.00 H new ATOM 0 HG13 ILE C 13 2.037 -2.179 2.769 1.00 10.00 H new ATOM 0 HG21 ILE C 13 3.142 -3.903 1.344 1.00 10.00 H new ATOM 0 HG22 ILE C 13 4.404 -4.955 2.028 1.00 10.00 H new ATOM 0 HG23 ILE C 13 2.691 -5.272 2.388 1.00 10.00 H new ATOM 0 HD11 ILE C 13 0.072 -3.107 3.917 1.00 10.00 H new ATOM 0 HD12 ILE C 13 0.845 -4.353 2.909 1.00 10.00 H new ATOM 0 HD13 ILE C 13 1.085 -4.360 4.673 1.00 10.00 H new ATOM 1017 N LYS C 14 6.354 -4.732 4.299 1.00 10.00 N ATOM 1018 CA LYS C 14 7.560 -5.534 4.082 1.00 10.00 C ATOM 1019 C LYS C 14 7.745 -6.612 5.166 1.00 10.00 C ATOM 1020 O LYS C 14 7.856 -7.801 4.860 1.00 10.00 O ATOM 1021 CB LYS C 14 8.784 -4.612 3.994 1.00 10.00 C ATOM 1022 CG LYS C 14 8.797 -3.838 2.669 1.00 10.00 C ATOM 1023 CD LYS C 14 9.995 -2.883 2.634 1.00 10.00 C ATOM 1024 CE LYS C 14 10.093 -2.216 1.259 1.00 10.00 C ATOM 1025 NZ LYS C 14 11.201 -1.246 1.220 1.00 10.00 N ATOM 0 H LYS C 14 6.521 -3.727 4.344 1.00 10.00 H new ATOM 0 HA LYS C 14 7.448 -6.067 3.138 1.00 10.00 H new ATOM 0 HB2 LYS C 14 8.776 -3.911 4.829 1.00 10.00 H new ATOM 0 HB3 LYS C 14 9.696 -5.203 4.083 1.00 10.00 H new ATOM 0 HG2 LYS C 14 8.851 -4.534 1.832 1.00 10.00 H new ATOM 0 HG3 LYS C 14 7.870 -3.276 2.557 1.00 10.00 H new ATOM 0 HD2 LYS C 14 9.888 -2.124 3.409 1.00 10.00 H new ATOM 0 HD3 LYS C 14 10.913 -3.430 2.848 1.00 10.00 H new ATOM 0 HE2 LYS C 14 10.243 -2.976 0.492 1.00 10.00 H new ATOM 0 HE3 LYS C 14 9.155 -1.711 1.028 1.00 10.00 H new ATOM 0 HZ1 LYS C 14 11.246 -0.808 0.278 1.00 10.00 H new ATOM 0 HZ2 LYS C 14 11.043 -0.509 1.937 1.00 10.00 H new ATOM 0 HZ3 LYS C 14 12.097 -1.735 1.418 1.00 10.00 H new ATOM 1039 N THR C 15 7.758 -6.206 6.438 1.00 10.00 N ATOM 1040 CA THR C 15 7.904 -7.128 7.568 1.00 10.00 C ATOM 1041 C THR C 15 6.772 -8.165 7.634 1.00 10.00 C ATOM 1042 O THR C 15 7.020 -9.328 7.943 1.00 10.00 O ATOM 1043 CB THR C 15 8.038 -6.366 8.893 1.00 10.00 C ATOM 1044 OG1 THR C 15 6.938 -5.511 9.097 1.00 10.00 O ATOM 1045 CG2 THR C 15 9.323 -5.536 8.936 1.00 10.00 C ATOM 0 H THR C 15 7.668 -5.228 6.714 1.00 10.00 H new ATOM 0 HA THR C 15 8.827 -7.683 7.401 1.00 10.00 H new ATOM 0 HB THR C 15 8.071 -7.115 9.685 1.00 10.00 H new ATOM 0 HG1 THR C 15 7.017 -4.730 8.510 1.00 10.00 H new ATOM 0 HG21 THR C 15 9.385 -5.010 9.889 1.00 10.00 H new ATOM 0 HG22 THR C 15 10.185 -6.194 8.829 1.00 10.00 H new ATOM 0 HG23 THR C 15 9.316 -4.812 8.121 1.00 10.00 H new ATOM 1053 N LEU C 16 5.535 -7.773 7.317 1.00 10.00 N ATOM 1054 CA LEU C 16 4.390 -8.675 7.219 1.00 10.00 C ATOM 1055 C LEU C 16 4.609 -9.724 6.127 1.00 10.00 C ATOM 1056 O LEU C 16 4.532 -10.920 6.397 1.00 10.00 O ATOM 1057 CB LEU C 16 3.109 -7.855 6.996 1.00 10.00 C ATOM 1058 CG LEU C 16 1.811 -8.671 7.130 1.00 10.00 C ATOM 1059 CD1 LEU C 16 0.669 -7.717 7.507 1.00 10.00 C ATOM 1060 CD2 LEU C 16 1.433 -9.397 5.830 1.00 10.00 C ATOM 0 H LEU C 16 5.299 -6.801 7.118 1.00 10.00 H new ATOM 0 HA LEU C 16 4.279 -9.224 8.154 1.00 10.00 H new ATOM 0 HB2 LEU C 16 3.086 -7.035 7.713 1.00 10.00 H new ATOM 0 HB3 LEU C 16 3.144 -7.409 6.002 1.00 10.00 H new ATOM 0 HG LEU C 16 1.974 -9.428 7.897 1.00 10.00 H new ATOM 0 HD11 LEU C 16 -0.259 -8.281 7.606 1.00 10.00 H new ATOM 0 HD12 LEU C 16 0.900 -7.230 8.454 1.00 10.00 H new ATOM 0 HD13 LEU C 16 0.554 -6.962 6.729 1.00 10.00 H new ATOM 0 HD21 LEU C 16 0.510 -9.957 5.981 1.00 10.00 H new ATOM 0 HD22 LEU C 16 1.288 -8.666 5.034 1.00 10.00 H new ATOM 0 HD23 LEU C 16 2.232 -10.084 5.551 1.00 10.00 H new ATOM 1072 N ARG C 17 4.888 -9.290 4.896 1.00 10.00 N ATOM 1073 CA ARG C 17 5.187 -10.194 3.787 1.00 10.00 C ATOM 1074 C ARG C 17 6.326 -11.157 4.155 1.00 10.00 C ATOM 1075 O ARG C 17 6.200 -12.364 3.972 1.00 10.00 O ATOM 1076 CB ARG C 17 5.502 -9.380 2.523 1.00 10.00 C ATOM 1077 CG ARG C 17 4.290 -8.595 1.984 1.00 10.00 C ATOM 1078 CD ARG C 17 3.207 -9.485 1.361 1.00 10.00 C ATOM 1079 NE ARG C 17 3.743 -10.276 0.244 1.00 10.00 N ATOM 1080 CZ ARG C 17 3.900 -9.866 -1.019 1.00 10.00 C ATOM 1081 NH1 ARG C 17 3.558 -8.636 -1.394 1.00 10.00 N ATOM 1082 NH2 ARG C 17 4.415 -10.700 -1.917 1.00 10.00 N ATOM 0 H ARG C 17 4.913 -8.303 4.642 1.00 10.00 H new ATOM 0 HA ARG C 17 4.312 -10.809 3.580 1.00 10.00 H new ATOM 0 HB2 ARG C 17 6.310 -8.682 2.741 1.00 10.00 H new ATOM 0 HB3 ARG C 17 5.864 -10.054 1.746 1.00 10.00 H new ATOM 0 HG2 ARG C 17 3.850 -8.019 2.798 1.00 10.00 H new ATOM 0 HG3 ARG C 17 4.634 -7.880 1.237 1.00 10.00 H new ATOM 0 HD2 ARG C 17 2.801 -10.153 2.121 1.00 10.00 H new ATOM 0 HD3 ARG C 17 2.383 -8.865 1.008 1.00 10.00 H new ATOM 0 HE ARG C 17 4.023 -11.234 0.453 1.00 10.00 H new ATOM 0 HH11 ARG C 17 3.168 -7.985 -0.713 1.00 10.00 H new ATOM 0 HH12 ARG C 17 3.686 -8.344 -2.363 1.00 10.00 H new ATOM 0 HH21 ARG C 17 4.686 -11.643 -1.640 1.00 10.00 H new ATOM 0 HH22 ARG C 17 4.539 -10.397 -2.883 1.00 10.00 H new ATOM 1096 N LYS C 18 7.410 -10.638 4.744 1.00 10.00 N ATOM 1097 CA LYS C 18 8.487 -11.469 5.279 1.00 10.00 C ATOM 1098 C LYS C 18 7.968 -12.510 6.291 1.00 10.00 C ATOM 1099 O LYS C 18 8.143 -13.709 6.083 1.00 10.00 O ATOM 1100 CB LYS C 18 9.585 -10.564 5.860 1.00 10.00 C ATOM 1101 CG LYS C 18 10.764 -11.335 6.466 1.00 10.00 C ATOM 1102 CD LYS C 18 11.574 -12.095 5.406 1.00 10.00 C ATOM 1103 CE LYS C 18 12.637 -12.976 6.067 1.00 10.00 C ATOM 1104 NZ LYS C 18 12.019 -14.143 6.723 1.00 10.00 N ATOM 0 H LYS C 18 7.562 -9.636 4.861 1.00 10.00 H new ATOM 0 HA LYS C 18 8.922 -12.054 4.469 1.00 10.00 H new ATOM 0 HB2 LYS C 18 9.957 -9.909 5.073 1.00 10.00 H new ATOM 0 HB3 LYS C 18 9.148 -9.925 6.627 1.00 10.00 H new ATOM 0 HG2 LYS C 18 11.419 -10.639 6.990 1.00 10.00 H new ATOM 0 HG3 LYS C 18 10.390 -12.040 7.208 1.00 10.00 H new ATOM 0 HD2 LYS C 18 10.907 -12.712 4.804 1.00 10.00 H new ATOM 0 HD3 LYS C 18 12.051 -11.387 4.729 1.00 10.00 H new ATOM 0 HE2 LYS C 18 13.354 -13.312 5.318 1.00 10.00 H new ATOM 0 HE3 LYS C 18 13.193 -12.393 6.801 1.00 10.00 H new ATOM 0 HZ1 LYS C 18 12.754 -14.841 6.955 1.00 10.00 H new ATOM 0 HZ2 LYS C 18 11.543 -13.839 7.596 1.00 10.00 H new ATOM 0 HZ3 LYS C 18 11.323 -14.574 6.081 1.00 10.00 H new ATOM 1118 N CYS C 19 7.299 -12.072 7.364 1.00 10.00 N ATOM 1119 CA CYS C 19 6.688 -12.945 8.374 1.00 10.00 C ATOM 1120 C CYS C 19 5.805 -14.043 7.752 1.00 10.00 C ATOM 1121 O CYS C 19 5.884 -15.207 8.134 1.00 10.00 O ATOM 1122 CB CYS C 19 5.871 -12.092 9.352 1.00 10.00 C ATOM 1123 SG CYS C 19 4.921 -13.011 10.592 1.00 10.00 S ATOM 0 H CYS C 19 7.164 -11.080 7.559 1.00 10.00 H new ATOM 0 HA CYS C 19 7.492 -13.456 8.903 1.00 10.00 H new ATOM 0 HB2 CYS C 19 6.550 -11.415 9.870 1.00 10.00 H new ATOM 0 HB3 CYS C 19 5.181 -11.474 8.778 1.00 10.00 H new ATOM 0 HG CYS C 19 4.280 -12.176 11.354 1.00 10.00 H new ATOM 1278 N ILE D 7 -1.782 9.923 17.412 1.00 10.00 N ATOM 1279 CA ILE D 7 -0.896 9.170 18.306 1.00 10.00 C ATOM 1280 C ILE D 7 -1.325 7.701 18.439 1.00 10.00 C ATOM 1281 O ILE D 7 -0.480 6.808 18.387 1.00 10.00 O ATOM 1282 CB ILE D 7 -0.671 9.863 19.665 1.00 10.00 C ATOM 1283 CG1 ILE D 7 -1.933 9.939 20.542 1.00 10.00 C ATOM 1284 CG2 ILE D 7 -0.042 11.247 19.448 1.00 10.00 C ATOM 1285 CD1 ILE D 7 -1.644 10.455 21.955 1.00 10.00 C ATOM 0 HA ILE D 7 0.084 9.161 17.830 1.00 10.00 H new ATOM 0 HB ILE D 7 0.022 9.239 20.229 1.00 10.00 H new ATOM 0 HG12 ILE D 7 -2.663 10.592 20.064 1.00 10.00 H new ATOM 0 HG13 ILE D 7 -2.385 8.949 20.607 1.00 10.00 H new ATOM 0 HG21 ILE D 7 0.114 11.731 20.412 1.00 10.00 H new ATOM 0 HG22 ILE D 7 0.915 11.136 18.939 1.00 10.00 H new ATOM 0 HG23 ILE D 7 -0.708 11.858 18.839 1.00 10.00 H new ATOM 0 HD11 ILE D 7 -2.571 10.487 22.527 1.00 10.00 H new ATOM 0 HD12 ILE D 7 -0.936 9.789 22.448 1.00 10.00 H new ATOM 0 HD13 ILE D 7 -1.219 11.457 21.897 1.00 10.00 H new ATOM 1297 N GLU D 8 -2.631 7.426 18.540 1.00 10.00 N ATOM 1298 CA GLU D 8 -3.125 6.052 18.526 1.00 10.00 C ATOM 1299 C GLU D 8 -2.743 5.318 17.227 1.00 10.00 C ATOM 1300 O GLU D 8 -2.281 4.179 17.276 1.00 10.00 O ATOM 1301 CB GLU D 8 -4.635 6.027 18.807 1.00 10.00 C ATOM 1302 CG GLU D 8 -4.990 6.576 20.203 1.00 10.00 C ATOM 1303 CD GLU D 8 -4.238 5.884 21.338 1.00 10.00 C ATOM 1304 OE1 GLU D 8 -4.489 4.675 21.531 1.00 10.00 O ATOM 1305 OE2 GLU D 8 -3.419 6.574 21.985 1.00 10.00 O ATOM 0 H GLU D 8 -3.358 8.135 18.632 1.00 10.00 H new ATOM 0 HA GLU D 8 -2.636 5.500 19.328 1.00 10.00 H new ATOM 0 HB2 GLU D 8 -5.151 6.615 18.048 1.00 10.00 H new ATOM 0 HB3 GLU D 8 -5.000 5.003 18.720 1.00 10.00 H new ATOM 0 HG2 GLU D 8 -4.772 7.644 20.231 1.00 10.00 H new ATOM 0 HG3 GLU D 8 -6.062 6.465 20.367 1.00 10.00 H new ATOM 1312 N ALA D 9 -2.880 5.972 16.069 1.00 10.00 N ATOM 1313 CA ALA D 9 -2.404 5.434 14.799 1.00 10.00 C ATOM 1314 C ALA D 9 -0.896 5.145 14.827 1.00 10.00 C ATOM 1315 O ALA D 9 -0.491 4.052 14.443 1.00 10.00 O ATOM 1316 CB ALA D 9 -2.790 6.357 13.639 1.00 10.00 C ATOM 0 H ALA D 9 -3.324 6.887 15.990 1.00 10.00 H new ATOM 0 HA ALA D 9 -2.898 4.476 14.638 1.00 10.00 H new ATOM 0 HB1 ALA D 9 -2.425 5.936 12.702 1.00 10.00 H new ATOM 0 HB2 ALA D 9 -3.875 6.452 13.596 1.00 10.00 H new ATOM 0 HB3 ALA D 9 -2.345 7.340 13.793 1.00 10.00 H new ATOM 1322 N ARG D 10 -0.061 6.081 15.300 1.00 10.00 N ATOM 1323 CA ARG D 10 1.375 5.834 15.483 1.00 10.00 C ATOM 1324 C ARG D 10 1.625 4.578 16.332 1.00 10.00 C ATOM 1325 O ARG D 10 2.335 3.668 15.905 1.00 10.00 O ATOM 1326 CB ARG D 10 2.092 7.038 16.122 1.00 10.00 C ATOM 1327 CG ARG D 10 2.015 8.385 15.389 1.00 10.00 C ATOM 1328 CD ARG D 10 2.543 8.368 13.952 1.00 10.00 C ATOM 1329 NE ARG D 10 1.525 7.845 13.028 1.00 10.00 N ATOM 1330 CZ ARG D 10 1.260 8.282 11.794 1.00 10.00 C ATOM 1331 NH1 ARG D 10 1.971 9.252 11.223 1.00 10.00 N ATOM 1332 NH2 ARG D 10 0.252 7.735 11.126 1.00 10.00 N ATOM 0 H ARG D 10 -0.358 7.020 15.564 1.00 10.00 H new ATOM 0 HA ARG D 10 1.788 5.677 14.487 1.00 10.00 H new ATOM 0 HB2 ARG D 10 1.686 7.177 17.124 1.00 10.00 H new ATOM 0 HB3 ARG D 10 3.144 6.779 16.238 1.00 10.00 H new ATOM 0 HG2 ARG D 10 0.976 8.716 15.375 1.00 10.00 H new ATOM 0 HG3 ARG D 10 2.578 9.125 15.959 1.00 10.00 H new ATOM 0 HD2 ARG D 10 2.829 9.376 13.653 1.00 10.00 H new ATOM 0 HD3 ARG D 10 3.441 7.753 13.897 1.00 10.00 H new ATOM 0 HE ARG D 10 0.961 7.065 13.366 1.00 10.00 H new ATOM 0 HH11 ARG D 10 2.744 9.684 11.730 1.00 10.00 H new ATOM 0 HH12 ARG D 10 1.743 9.563 10.279 1.00 10.00 H new ATOM 0 HH21 ARG D 10 -0.303 6.996 11.556 1.00 10.00 H new ATOM 0 HH22 ARG D 10 0.033 8.054 10.182 1.00 10.00 H new ATOM 1346 N LYS D 11 1.035 4.525 17.533 1.00 10.00 N ATOM 1347 CA LYS D 11 1.159 3.387 18.445 1.00 10.00 C ATOM 1348 C LYS D 11 0.764 2.072 17.761 1.00 10.00 C ATOM 1349 O LYS D 11 1.545 1.125 17.735 1.00 10.00 O ATOM 1350 CB LYS D 11 0.300 3.625 19.696 1.00 10.00 C ATOM 1351 CG LYS D 11 0.835 4.763 20.574 1.00 10.00 C ATOM 1352 CD LYS D 11 -0.204 5.092 21.653 1.00 10.00 C ATOM 1353 CE LYS D 11 0.194 6.346 22.433 1.00 10.00 C ATOM 1354 NZ LYS D 11 -0.850 6.703 23.409 1.00 10.00 N ATOM 0 H LYS D 11 0.454 5.279 17.900 1.00 10.00 H new ATOM 0 HA LYS D 11 2.205 3.300 18.740 1.00 10.00 H new ATOM 0 HB2 LYS D 11 -0.721 3.855 19.392 1.00 10.00 H new ATOM 0 HB3 LYS D 11 0.258 2.708 20.283 1.00 10.00 H new ATOM 0 HG2 LYS D 11 1.778 4.471 21.036 1.00 10.00 H new ATOM 0 HG3 LYS D 11 1.038 5.644 19.966 1.00 10.00 H new ATOM 0 HD2 LYS D 11 -1.179 5.242 21.190 1.00 10.00 H new ATOM 0 HD3 LYS D 11 -0.302 4.249 22.338 1.00 10.00 H new ATOM 0 HE2 LYS D 11 1.139 6.175 22.949 1.00 10.00 H new ATOM 0 HE3 LYS D 11 0.353 7.175 21.743 1.00 10.00 H new ATOM 0 HZ1 LYS D 11 -0.675 7.663 23.770 1.00 10.00 H new ATOM 0 HZ2 LYS D 11 -1.782 6.671 22.948 1.00 10.00 H new ATOM 0 HZ3 LYS D 11 -0.832 6.028 24.200 1.00 10.00 H new ATOM 1368 N TYR D 12 -0.443 2.014 17.190 1.00 10.00 N ATOM 1369 CA TYR D 12 -0.950 0.842 16.481 1.00 10.00 C ATOM 1370 C TYR D 12 -0.028 0.423 15.325 1.00 10.00 C ATOM 1371 O TYR D 12 0.436 -0.717 15.269 1.00 10.00 O ATOM 1372 CB TYR D 12 -2.370 1.150 15.991 1.00 10.00 C ATOM 1373 CG TYR D 12 -3.028 0.006 15.246 1.00 10.00 C ATOM 1374 CD1 TYR D 12 -3.659 -1.027 15.961 1.00 10.00 C ATOM 1375 CD2 TYR D 12 -2.997 -0.032 13.840 1.00 10.00 C ATOM 1376 CE1 TYR D 12 -4.278 -2.083 15.271 1.00 10.00 C ATOM 1377 CE2 TYR D 12 -3.619 -1.088 13.151 1.00 10.00 C ATOM 1378 CZ TYR D 12 -4.260 -2.109 13.868 1.00 10.00 C ATOM 1379 OH TYR D 12 -4.862 -3.130 13.202 1.00 10.00 O ATOM 0 H TYR D 12 -1.102 2.792 17.209 1.00 10.00 H new ATOM 0 HA TYR D 12 -0.974 -0.008 17.163 1.00 10.00 H new ATOM 0 HB2 TYR D 12 -2.989 1.416 16.848 1.00 10.00 H new ATOM 0 HB3 TYR D 12 -2.337 2.023 15.339 1.00 10.00 H new ATOM 0 HD1 TYR D 12 -3.668 -1.009 17.041 1.00 10.00 H new ATOM 0 HD2 TYR D 12 -2.495 0.750 13.290 1.00 10.00 H new ATOM 0 HE1 TYR D 12 -4.767 -2.874 15.820 1.00 10.00 H new ATOM 0 HE2 TYR D 12 -3.603 -1.113 12.071 1.00 10.00 H new ATOM 0 HH TYR D 12 -5.567 -2.772 12.623 1.00 10.00 H new ATOM 1389 N LEU D 13 0.252 1.353 14.407 1.00 10.00 N ATOM 1390 CA LEU D 13 1.134 1.150 13.261 1.00 10.00 C ATOM 1391 C LEU D 13 2.485 0.571 13.703 1.00 10.00 C ATOM 1392 O LEU D 13 2.917 -0.467 13.200 1.00 10.00 O ATOM 1393 CB LEU D 13 1.292 2.496 12.533 1.00 10.00 C ATOM 1394 CG LEU D 13 2.105 2.442 11.231 1.00 10.00 C ATOM 1395 CD1 LEU D 13 1.344 1.683 10.141 1.00 10.00 C ATOM 1396 CD2 LEU D 13 2.363 3.873 10.747 1.00 10.00 C ATOM 0 H LEU D 13 -0.141 2.293 14.445 1.00 10.00 H new ATOM 0 HA LEU D 13 0.701 0.422 12.575 1.00 10.00 H new ATOM 0 HB2 LEU D 13 0.300 2.888 12.308 1.00 10.00 H new ATOM 0 HB3 LEU D 13 1.768 3.204 13.211 1.00 10.00 H new ATOM 0 HG LEU D 13 3.044 1.924 11.428 1.00 10.00 H new ATOM 0 HD11 LEU D 13 1.941 1.659 9.230 1.00 10.00 H new ATOM 0 HD12 LEU D 13 1.151 0.664 10.475 1.00 10.00 H new ATOM 0 HD13 LEU D 13 0.397 2.185 9.941 1.00 10.00 H new ATOM 0 HD21 LEU D 13 2.940 3.846 9.823 1.00 10.00 H new ATOM 0 HD22 LEU D 13 1.411 4.373 10.566 1.00 10.00 H new ATOM 0 HD23 LEU D 13 2.921 4.419 11.507 1.00 10.00 H new ATOM 1408 N GLU D 14 3.133 1.225 14.674 1.00 10.00 N ATOM 1409 CA GLU D 14 4.395 0.764 15.234 1.00 10.00 C ATOM 1410 C GLU D 14 4.263 -0.624 15.882 1.00 10.00 C ATOM 1411 O GLU D 14 5.089 -1.495 15.634 1.00 10.00 O ATOM 1412 CB GLU D 14 4.937 1.816 16.211 1.00 10.00 C ATOM 1413 CG GLU D 14 6.350 1.469 16.712 1.00 10.00 C ATOM 1414 CD GLU D 14 7.376 1.384 15.582 1.00 10.00 C ATOM 1415 OE1 GLU D 14 7.822 2.465 15.141 1.00 10.00 O ATOM 1416 OE2 GLU D 14 7.688 0.245 15.169 1.00 10.00 O ATOM 0 H GLU D 14 2.790 2.091 15.090 1.00 10.00 H new ATOM 0 HA GLU D 14 5.116 0.644 14.425 1.00 10.00 H new ATOM 0 HB2 GLU D 14 4.956 2.789 15.721 1.00 10.00 H new ATOM 0 HB3 GLU D 14 4.262 1.901 17.063 1.00 10.00 H new ATOM 0 HG2 GLU D 14 6.670 2.223 17.431 1.00 10.00 H new ATOM 0 HG3 GLU D 14 6.319 0.516 17.241 1.00 10.00 H new ATOM 1423 N GLN D 15 3.231 -0.849 16.702 1.00 10.00 N ATOM 1424 CA GLN D 15 2.986 -2.138 17.342 1.00 10.00 C ATOM 1425 C GLN D 15 2.848 -3.271 16.313 1.00 10.00 C ATOM 1426 O GLN D 15 3.456 -4.330 16.478 1.00 10.00 O ATOM 1427 CB GLN D 15 1.760 -2.042 18.262 1.00 10.00 C ATOM 1428 CG GLN D 15 1.393 -3.370 18.948 1.00 10.00 C ATOM 1429 CD GLN D 15 2.501 -3.936 19.833 1.00 10.00 C ATOM 1430 OE1 GLN D 15 2.508 -3.737 21.039 1.00 10.00 O ATOM 1431 NE2 GLN D 15 3.448 -4.667 19.260 1.00 10.00 N ATOM 0 H GLN D 15 2.541 -0.136 16.939 1.00 10.00 H new ATOM 0 HA GLN D 15 3.852 -2.388 17.954 1.00 10.00 H new ATOM 0 HB2 GLN D 15 1.949 -1.289 19.027 1.00 10.00 H new ATOM 0 HB3 GLN D 15 0.906 -1.697 17.679 1.00 10.00 H new ATOM 0 HG2 GLN D 15 0.499 -3.220 19.553 1.00 10.00 H new ATOM 0 HG3 GLN D 15 1.141 -4.105 18.184 1.00 10.00 H new ATOM 0 HE21 GLN D 15 3.430 -4.825 18.253 1.00 10.00 H new ATOM 0 HE22 GLN D 15 4.194 -5.071 19.827 1.00 10.00 H new ATOM 1440 N LEU D 16 2.062 -3.067 15.254 1.00 10.00 N ATOM 1441 CA LEU D 16 1.996 -4.025 14.154 1.00 10.00 C ATOM 1442 C LEU D 16 3.381 -4.206 13.513 1.00 10.00 C ATOM 1443 O LEU D 16 3.906 -5.318 13.502 1.00 10.00 O ATOM 1444 CB LEU D 16 0.933 -3.617 13.123 1.00 10.00 C ATOM 1445 CG LEU D 16 -0.460 -4.191 13.436 1.00 10.00 C ATOM 1446 CD1 LEU D 16 -1.073 -3.614 14.716 1.00 10.00 C ATOM 1447 CD2 LEU D 16 -1.398 -3.907 12.258 1.00 10.00 C ATOM 0 H LEU D 16 1.465 -2.249 15.137 1.00 10.00 H new ATOM 0 HA LEU D 16 1.690 -4.991 14.556 1.00 10.00 H new ATOM 0 HB2 LEU D 16 0.871 -2.529 13.084 1.00 10.00 H new ATOM 0 HB3 LEU D 16 1.245 -3.954 12.135 1.00 10.00 H new ATOM 0 HG LEU D 16 -0.337 -5.263 13.593 1.00 10.00 H new ATOM 0 HD11 LEU D 16 -2.054 -4.058 14.882 1.00 10.00 H new ATOM 0 HD12 LEU D 16 -0.425 -3.839 15.563 1.00 10.00 H new ATOM 0 HD13 LEU D 16 -1.176 -2.534 14.615 1.00 10.00 H new ATOM 0 HD21 LEU D 16 -2.387 -4.312 12.474 1.00 10.00 H new ATOM 0 HD22 LEU D 16 -1.472 -2.831 12.103 1.00 10.00 H new ATOM 0 HD23 LEU D 16 -1.003 -4.376 11.357 1.00 10.00 H new ATOM 1459 N HIS D 17 3.989 -3.124 13.015 1.00 10.00 N ATOM 1460 CA HIS D 17 5.326 -3.163 12.420 1.00 10.00 C ATOM 1461 C HIS D 17 6.325 -3.977 13.261 1.00 10.00 C ATOM 1462 O HIS D 17 6.869 -4.971 12.786 1.00 10.00 O ATOM 1463 CB HIS D 17 5.820 -1.731 12.186 1.00 10.00 C ATOM 1464 CG HIS D 17 7.299 -1.643 11.908 1.00 10.00 C ATOM 1465 ND1 HIS D 17 8.230 -1.057 12.734 1.00 10.00 N ATOM 1466 CD2 HIS D 17 7.978 -2.291 10.910 1.00 10.00 C ATOM 1467 CE1 HIS D 17 9.444 -1.322 12.226 1.00 10.00 C ATOM 1468 NE2 HIS D 17 9.344 -2.071 11.117 1.00 10.00 N ATOM 0 H HIS D 17 3.566 -2.196 13.014 1.00 10.00 H new ATOM 0 HA HIS D 17 5.256 -3.680 11.463 1.00 10.00 H new ATOM 0 HB2 HIS D 17 5.274 -1.299 11.347 1.00 10.00 H new ATOM 0 HB3 HIS D 17 5.587 -1.127 13.063 1.00 10.00 H new ATOM 0 HD1 HIS D 17 8.034 -0.519 13.578 1.00 10.00 H new ATOM 0 HD2 HIS D 17 7.539 -2.867 10.109 1.00 10.00 H new ATOM 0 HE1 HIS D 17 10.375 -0.979 12.652 1.00 10.00 H new ATOM 1476 N ARG D 18 6.568 -3.574 14.512 1.00 10.00 N ATOM 1477 CA ARG D 18 7.505 -4.273 15.382 1.00 10.00 C ATOM 1478 C ARG D 18 7.086 -5.725 15.654 1.00 10.00 C ATOM 1479 O ARG D 18 7.945 -6.599 15.664 1.00 10.00 O ATOM 1480 CB ARG D 18 7.826 -3.464 16.648 1.00 10.00 C ATOM 1481 CG ARG D 18 6.653 -3.272 17.617 1.00 10.00 C ATOM 1482 CD ARG D 18 6.849 -4.009 18.947 1.00 10.00 C ATOM 1483 NE ARG D 18 6.658 -5.463 18.807 1.00 10.00 N ATOM 1484 CZ ARG D 18 7.539 -6.430 19.099 1.00 10.00 C ATOM 1485 NH1 ARG D 18 8.824 -6.180 19.333 1.00 10.00 N ATOM 1486 NH2 ARG D 18 7.132 -7.693 19.162 1.00 10.00 N ATOM 0 H ARG D 18 6.124 -2.763 14.942 1.00 10.00 H new ATOM 0 HA ARG D 18 8.449 -4.354 14.843 1.00 10.00 H new ATOM 0 HB2 ARG D 18 8.638 -3.960 17.180 1.00 10.00 H new ATOM 0 HB3 ARG D 18 8.193 -2.482 16.349 1.00 10.00 H new ATOM 0 HG2 ARG D 18 6.521 -2.208 17.813 1.00 10.00 H new ATOM 0 HG3 ARG D 18 5.736 -3.625 17.144 1.00 10.00 H new ATOM 0 HD2 ARG D 18 7.851 -3.810 19.327 1.00 10.00 H new ATOM 0 HD3 ARG D 18 6.146 -3.620 19.684 1.00 10.00 H new ATOM 0 HE ARG D 18 5.754 -5.768 18.447 1.00 10.00 H new ATOM 0 HH11 ARG D 18 9.173 -5.222 19.294 1.00 10.00 H new ATOM 0 HH12 ARG D 18 9.461 -6.946 19.552 1.00 10.00 H new ATOM 0 HH21 ARG D 18 6.153 -7.923 18.989 1.00 10.00 H new ATOM 0 HH22 ARG D 18 7.798 -8.433 19.384 1.00 10.00 H new ATOM 1500 N LYS D 19 5.789 -6.023 15.804 1.00 10.00 N ATOM 1501 CA LYS D 19 5.329 -7.406 15.925 1.00 10.00 C ATOM 1502 C LYS D 19 5.695 -8.253 14.693 1.00 10.00 C ATOM 1503 O LYS D 19 6.304 -9.315 14.829 1.00 10.00 O ATOM 1504 CB LYS D 19 3.826 -7.416 16.229 1.00 10.00 C ATOM 1505 CG LYS D 19 3.263 -8.835 16.358 1.00 10.00 C ATOM 1506 CD LYS D 19 1.869 -8.855 17.005 1.00 10.00 C ATOM 1507 CE LYS D 19 0.829 -8.020 16.245 1.00 10.00 C ATOM 1508 NZ LYS D 19 0.838 -6.606 16.666 1.00 10.00 N ATOM 0 H LYS D 19 5.045 -5.326 15.844 1.00 10.00 H new ATOM 0 HA LYS D 19 5.849 -7.879 16.758 1.00 10.00 H new ATOM 0 HB2 LYS D 19 3.642 -6.870 17.154 1.00 10.00 H new ATOM 0 HB3 LYS D 19 3.295 -6.888 15.437 1.00 10.00 H new ATOM 0 HG2 LYS D 19 3.209 -9.293 15.370 1.00 10.00 H new ATOM 0 HG3 LYS D 19 3.946 -9.441 16.953 1.00 10.00 H new ATOM 0 HD2 LYS D 19 1.521 -9.886 17.067 1.00 10.00 H new ATOM 0 HD3 LYS D 19 1.946 -8.483 18.027 1.00 10.00 H new ATOM 0 HE2 LYS D 19 1.028 -8.081 15.175 1.00 10.00 H new ATOM 0 HE3 LYS D 19 -0.163 -8.440 16.409 1.00 10.00 H new ATOM 0 HZ1 LYS D 19 -0.027 -6.138 16.328 1.00 10.00 H new ATOM 0 HZ2 LYS D 19 0.878 -6.553 17.704 1.00 10.00 H new ATOM 0 HZ3 LYS D 19 1.670 -6.129 16.263 1.00 10.00 H new ATOM 1522 N LEU D 20 5.358 -7.795 13.485 1.00 10.00 N ATOM 1523 CA LEU D 20 5.717 -8.512 12.259 1.00 10.00 C ATOM 1524 C LEU D 20 7.246 -8.599 12.072 1.00 10.00 C ATOM 1525 O LEU D 20 7.777 -9.641 11.683 1.00 10.00 O ATOM 1526 CB LEU D 20 5.015 -7.889 11.040 1.00 10.00 C ATOM 1527 CG LEU D 20 3.510 -8.202 10.875 1.00 10.00 C ATOM 1528 CD1 LEU D 20 3.184 -9.696 10.969 1.00 10.00 C ATOM 1529 CD2 LEU D 20 2.585 -7.423 11.811 1.00 10.00 C ATOM 0 H LEU D 20 4.837 -6.932 13.330 1.00 10.00 H new ATOM 0 HA LEU D 20 5.362 -9.538 12.353 1.00 10.00 H new ATOM 0 HB2 LEU D 20 5.134 -6.807 11.094 1.00 10.00 H new ATOM 0 HB3 LEU D 20 5.533 -8.222 10.141 1.00 10.00 H new ATOM 0 HG LEU D 20 3.307 -7.860 9.860 1.00 10.00 H new ATOM 0 HD11 LEU D 20 2.111 -9.843 10.844 1.00 10.00 H new ATOM 0 HD12 LEU D 20 3.717 -10.235 10.186 1.00 10.00 H new ATOM 0 HD13 LEU D 20 3.491 -10.075 11.944 1.00 10.00 H new ATOM 0 HD21 LEU D 20 1.551 -7.709 11.621 1.00 10.00 H new ATOM 0 HD22 LEU D 20 2.840 -7.649 12.846 1.00 10.00 H new ATOM 0 HD23 LEU D 20 2.704 -6.354 11.633 1.00 10.00 H new ATOM 1541 N LYS D 21 7.977 -7.528 12.394 1.00 10.00 N ATOM 1542 CA LYS D 21 9.439 -7.540 12.413 1.00 10.00 C ATOM 1543 C LYS D 21 9.992 -8.580 13.404 1.00 10.00 C ATOM 1544 O LYS D 21 10.949 -9.283 13.099 1.00 10.00 O ATOM 1545 CB LYS D 21 9.946 -6.128 12.732 1.00 10.00 C ATOM 1546 CG LYS D 21 11.442 -5.979 12.436 1.00 10.00 C ATOM 1547 CD LYS D 21 11.856 -4.520 12.647 1.00 10.00 C ATOM 1548 CE LYS D 21 13.345 -4.342 12.343 1.00 10.00 C ATOM 1549 NZ LYS D 21 13.754 -2.936 12.516 1.00 10.00 N ATOM 0 H LYS D 21 7.570 -6.628 12.649 1.00 10.00 H new ATOM 0 HA LYS D 21 9.803 -7.837 11.429 1.00 10.00 H new ATOM 0 HB2 LYS D 21 9.385 -5.400 12.146 1.00 10.00 H new ATOM 0 HB3 LYS D 21 9.759 -5.904 13.782 1.00 10.00 H new ATOM 0 HG2 LYS D 21 12.021 -6.632 13.090 1.00 10.00 H new ATOM 0 HG3 LYS D 21 11.654 -6.285 11.412 1.00 10.00 H new ATOM 0 HD2 LYS D 21 11.266 -3.870 12.001 1.00 10.00 H new ATOM 0 HD3 LYS D 21 11.649 -4.221 13.675 1.00 10.00 H new ATOM 0 HE2 LYS D 21 13.933 -4.980 13.003 1.00 10.00 H new ATOM 0 HE3 LYS D 21 13.552 -4.662 11.322 1.00 10.00 H new ATOM 0 HZ1 LYS D 21 14.768 -2.841 12.304 1.00 10.00 H new ATOM 0 HZ2 LYS D 21 13.207 -2.333 11.869 1.00 10.00 H new ATOM 0 HZ3 LYS D 21 13.576 -2.641 13.497 1.00 10.00 H new ATOM 1563 N ASN D 22 9.385 -8.681 14.590 1.00 10.00 N ATOM 1564 CA ASN D 22 9.739 -9.648 15.626 1.00 10.00 C ATOM 1565 C ASN D 22 9.408 -11.084 15.194 1.00 10.00 C ATOM 1566 O ASN D 22 10.164 -11.995 15.522 1.00 10.00 O ATOM 1567 CB ASN D 22 9.025 -9.257 16.929 1.00 10.00 C ATOM 1568 CG ASN D 22 9.557 -9.894 18.209 1.00 10.00 C ATOM 1569 OD1 ASN D 22 9.369 -9.329 19.282 1.00 10.00 O ATOM 1570 ND2 ASN D 22 10.207 -11.049 18.162 1.00 10.00 N ATOM 0 H ASN D 22 8.612 -8.073 14.861 1.00 10.00 H new ATOM 0 HA ASN D 22 10.816 -9.626 15.792 1.00 10.00 H new ATOM 0 HB2 ASN D 22 9.080 -8.174 17.037 1.00 10.00 H new ATOM 0 HB3 ASN D 22 7.970 -9.514 16.832 1.00 10.00 H new ATOM 0 HD21 ASN D 22 10.555 -11.474 19.022 1.00 10.00 H new ATOM 0 HD22 ASN D 22 10.359 -11.512 17.266 1.00 10.00 H new