USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 716 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: A 76 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 78 ASN : amide:sc= -0.951 X(o=-0.95,f=-0.5) USER MOD Set 2.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 49 LYS NZ :NH3+ 173:sc= 0.00634 (180deg=-0.0648) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.097) USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= 0.481! (180deg=0.0384!) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0769) USER MOD Single : A 26 GLN : amide:sc= -1.62! C(o=-1.6!,f=-4.4!) USER MOD Single : A 28 HIS : no HD1:sc=-0.00833 X(o=-0.0083,f=0) USER MOD Single : A 37 SER OG : rot 78:sc= -0.928! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -100:sc= 0.524 USER MOD Single : A 47 SER OG : rot -70:sc= -1.63! USER MOD Single : A 52 ASN : amide:sc= -1.31! K(o=-1.3!,f=-0.13) USER MOD Single : A 55 GLN : amide:sc= -3.44! K(o=-3.4!,f=-1.1) USER MOD Single : A 56 HIS : no HD1:sc= -3.7! K(o=-3.7!,f=-0.82) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -126:sc= -1.34 (180deg=-1.92!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -4.06! C(o=-4.1!,f=-8.3!) USER MOD Single : A 83 TYR OH : rot 30:sc= -1 USER MOD Single : A 84 HIS : no HE2:sc= -3.77! C(o=-3.8!,f=-8!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -38:sc= 0.697 USER MOD Single : A 90 SER OG : rot -166:sc= 0.027 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 8 6.562 5.284 8.068 1.00 0.00 N ATOM 115 CA PRO A 8 5.449 4.395 7.784 1.00 0.00 C ATOM 116 C PRO A 8 4.240 5.180 7.282 1.00 0.00 C ATOM 117 O PRO A 8 3.676 5.973 8.026 1.00 0.00 O ATOM 118 CB PRO A 8 5.015 3.902 9.155 1.00 0.00 C ATOM 119 CG PRO A 8 5.417 5.020 10.123 1.00 0.00 C ATOM 120 CD PRO A 8 6.587 5.744 9.449 1.00 0.00 C ATOM 0 HA PRO A 8 5.743 3.637 7.058 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.941 3.719 9.187 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.506 2.963 9.411 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.585 5.701 10.303 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.712 4.614 11.091 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.470 6.826 9.508 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.534 5.500 9.930 1.00 0.00 H new ATOM 128 N TRP A 9 3.810 4.903 6.041 1.00 0.00 N ATOM 129 CA TRP A 9 4.557 4.175 5.025 1.00 0.00 C ATOM 130 C TRP A 9 4.371 4.977 3.739 1.00 0.00 C ATOM 131 O TRP A 9 3.778 4.537 2.762 1.00 0.00 O ATOM 132 CB TRP A 9 4.012 2.747 4.834 1.00 0.00 C ATOM 133 CG TRP A 9 3.841 2.024 6.155 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.619 0.969 6.648 1.00 0.00 C ATOM 135 CD2 TRP A 9 2.829 2.290 7.144 1.00 0.00 C ATOM 136 NE1 TRP A 9 4.152 0.575 7.863 1.00 0.00 N ATOM 137 CE2 TRP A 9 3.055 1.342 8.230 1.00 0.00 C ATOM 138 CE3 TRP A 9 1.767 3.222 7.221 1.00 0.00 C ATOM 139 CZ2 TRP A 9 2.212 1.348 9.368 1.00 0.00 C ATOM 140 CZ3 TRP A 9 0.907 3.234 8.377 1.00 0.00 C ATOM 141 CH2 TRP A 9 1.128 2.296 9.451 1.00 0.00 C ATOM 0 H TRP A 9 2.890 5.197 5.712 1.00 0.00 H new ATOM 0 HA TRP A 9 5.604 4.071 5.309 1.00 0.00 H new ATOM 0 HB2 TRP A 9 3.053 2.791 4.318 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.692 2.182 4.196 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.465 0.533 6.138 1.00 0.00 H new ATOM 0 HE1 TRP A 9 4.551 -0.177 8.425 1.00 0.00 H new ATOM 0 HE3 TRP A 9 1.602 3.922 6.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 2.380 0.645 10.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.097 3.945 8.440 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.482 2.304 10.317 1.00 0.00 H new ATOM 152 N PHE A 10 4.859 6.223 3.875 1.00 0.00 N ATOM 153 CA PHE A 10 4.331 7.283 3.041 1.00 0.00 C ATOM 154 C PHE A 10 5.112 7.440 1.734 1.00 0.00 C ATOM 155 O PHE A 10 6.315 7.675 1.714 1.00 0.00 O ATOM 156 CB PHE A 10 4.391 8.586 3.841 1.00 0.00 C ATOM 157 CG PHE A 10 3.691 9.706 3.132 1.00 0.00 C ATOM 158 CD1 PHE A 10 4.405 10.527 2.187 1.00 0.00 C ATOM 159 CD2 PHE A 10 2.300 9.973 3.393 1.00 0.00 C ATOM 160 CE1 PHE A 10 3.735 11.606 1.510 1.00 0.00 C ATOM 161 CE2 PHE A 10 1.627 11.051 2.718 1.00 0.00 C ATOM 162 CZ PHE A 10 2.346 11.867 1.776 1.00 0.00 C ATOM 0 H PHE A 10 5.589 6.501 4.531 1.00 0.00 H new ATOM 0 HA PHE A 10 3.306 7.034 2.767 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.935 8.433 4.819 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.432 8.859 4.014 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.448 10.332 1.986 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.759 9.361 4.099 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.275 12.219 0.803 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.584 11.247 2.918 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.842 12.676 1.268 1.00 0.00 H new ATOM 172 N PHE A 11 4.317 7.338 0.654 1.00 0.00 N ATOM 173 CA PHE A 11 4.819 7.734 -0.648 1.00 0.00 C ATOM 174 C PHE A 11 3.816 8.718 -1.259 1.00 0.00 C ATOM 175 O PHE A 11 2.844 8.345 -1.904 1.00 0.00 O ATOM 176 CB PHE A 11 5.015 6.500 -1.533 1.00 0.00 C ATOM 177 CG PHE A 11 6.184 5.684 -1.064 1.00 0.00 C ATOM 178 CD1 PHE A 11 6.176 5.079 0.243 1.00 0.00 C ATOM 179 CD2 PHE A 11 7.328 5.504 -1.920 1.00 0.00 C ATOM 180 CE1 PHE A 11 7.301 4.303 0.693 1.00 0.00 C ATOM 181 CE2 PHE A 11 8.455 4.728 -1.475 1.00 0.00 C ATOM 182 CZ PHE A 11 8.441 4.128 -0.167 1.00 0.00 C ATOM 0 H PHE A 11 3.357 6.995 0.666 1.00 0.00 H new ATOM 0 HA PHE A 11 5.791 8.220 -0.560 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.112 5.890 -1.519 1.00 0.00 H new ATOM 0 HB3 PHE A 11 5.174 6.810 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.320 5.209 0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.340 5.954 -2.902 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.290 3.853 1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.310 4.596 -2.122 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.287 3.546 0.169 1.00 0.00 H new ATOM 192 N GLY A 12 4.115 10.000 -0.976 1.00 0.00 N ATOM 193 CA GLY A 12 3.152 11.036 -1.300 1.00 0.00 C ATOM 194 C GLY A 12 2.747 10.999 -2.772 1.00 0.00 C ATOM 195 O GLY A 12 3.543 11.225 -3.676 1.00 0.00 O ATOM 0 H GLY A 12 4.980 10.321 -0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.266 10.915 -0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.576 12.012 -1.065 1.00 0.00 H new ATOM 199 N LYS A 13 1.440 10.718 -2.921 1.00 0.00 N ATOM 200 CA LYS A 13 0.816 10.709 -4.233 1.00 0.00 C ATOM 201 C LYS A 13 1.812 10.284 -5.314 1.00 0.00 C ATOM 202 O LYS A 13 1.870 10.849 -6.399 1.00 0.00 O ATOM 203 CB LYS A 13 0.249 12.095 -4.545 1.00 0.00 C ATOM 204 CG LYS A 13 1.337 13.168 -4.577 1.00 0.00 C ATOM 205 CD LYS A 13 0.756 14.552 -4.866 1.00 0.00 C ATOM 206 CE LYS A 13 1.838 15.631 -4.903 1.00 0.00 C ATOM 207 NZ LYS A 13 2.495 15.805 -3.613 1.00 0.00 N ATOM 0 H LYS A 13 0.810 10.498 -2.150 1.00 0.00 H new ATOM 0 HA LYS A 13 0.003 9.983 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.262 12.069 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.497 12.358 -3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.860 13.185 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.074 12.916 -5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.231 14.532 -5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.020 14.803 -4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.583 15.369 -5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.393 16.577 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.109 16.644 -3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.777 15.931 -2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.069 14.965 -3.400 1.00 0.00 H new ATOM 221 N ILE A 14 2.585 9.251 -4.938 1.00 0.00 N ATOM 222 CA ILE A 14 3.558 8.753 -5.888 1.00 0.00 C ATOM 223 C ILE A 14 2.817 8.213 -7.120 1.00 0.00 C ATOM 224 O ILE A 14 1.890 7.420 -7.003 1.00 0.00 O ATOM 225 CB ILE A 14 4.368 7.641 -5.223 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.602 7.290 -6.051 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.496 6.408 -4.990 1.00 0.00 C ATOM 228 CD1 ILE A 14 6.632 8.420 -6.025 1.00 0.00 C ATOM 0 H ILE A 14 2.553 8.777 -4.036 1.00 0.00 H new ATOM 0 HA ILE A 14 4.234 9.549 -6.201 1.00 0.00 H new ATOM 0 HB ILE A 14 4.712 8.004 -4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.053 6.376 -5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.306 7.089 -7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.090 5.627 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.659 6.671 -4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.116 6.045 -5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.498 8.137 -6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.188 9.327 -6.435 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.946 8.602 -4.997 1.00 0.00 H new ATOM 240 N PRO A 15 3.260 8.679 -8.312 1.00 0.00 N ATOM 241 CA PRO A 15 2.670 8.250 -9.571 1.00 0.00 C ATOM 242 C PRO A 15 2.464 6.737 -9.655 1.00 0.00 C ATOM 243 O PRO A 15 3.389 5.949 -9.503 1.00 0.00 O ATOM 244 CB PRO A 15 3.667 8.725 -10.628 1.00 0.00 C ATOM 245 CG PRO A 15 4.397 9.904 -9.978 1.00 0.00 C ATOM 246 CD PRO A 15 4.366 9.614 -8.475 1.00 0.00 C ATOM 0 HA PRO A 15 1.671 8.666 -9.700 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.362 7.931 -10.900 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.158 9.031 -11.542 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.421 9.983 -10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.903 10.848 -10.207 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.306 9.181 -8.134 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.206 10.524 -7.897 1.00 0.00 H new ATOM 254 N ARG A 16 1.185 6.395 -9.901 1.00 0.00 N ATOM 255 CA ARG A 16 0.826 4.988 -9.990 1.00 0.00 C ATOM 256 C ARG A 16 1.941 4.186 -10.672 1.00 0.00 C ATOM 257 O ARG A 16 2.301 3.094 -10.251 1.00 0.00 O ATOM 258 CB ARG A 16 -0.477 4.841 -10.776 1.00 0.00 C ATOM 259 CG ARG A 16 -0.918 3.380 -10.881 1.00 0.00 C ATOM 260 CD ARG A 16 -2.210 3.231 -11.685 1.00 0.00 C ATOM 261 NE ARG A 16 -3.282 3.973 -11.050 1.00 0.00 N ATOM 262 CZ ARG A 16 -4.377 4.275 -11.773 1.00 0.00 C ATOM 263 NH1 ARG A 16 -4.466 3.898 -13.046 1.00 0.00 N ATOM 264 NH2 ARG A 16 -5.375 4.951 -11.212 1.00 0.00 N ATOM 0 H ARG A 16 0.417 7.053 -10.036 1.00 0.00 H new ATOM 0 HA ARG A 16 0.689 4.597 -8.982 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.261 5.423 -10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.346 5.254 -11.776 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.128 2.795 -11.352 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.064 2.972 -9.881 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.059 3.594 -12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.481 2.178 -11.760 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.208 4.261 -10.074 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.703 3.378 -13.478 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.298 4.129 -13.589 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.310 5.240 -10.236 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.205 5.181 -11.758 1.00 0.00 H new ATOM 278 N ALA A 17 2.470 4.816 -11.736 1.00 0.00 N ATOM 279 CA ALA A 17 3.595 4.192 -12.405 1.00 0.00 C ATOM 280 C ALA A 17 4.715 3.956 -11.393 1.00 0.00 C ATOM 281 O ALA A 17 4.894 2.861 -10.877 1.00 0.00 O ATOM 282 CB ALA A 17 4.086 5.092 -13.540 1.00 0.00 C ATOM 0 H ALA A 17 2.152 5.704 -12.124 1.00 0.00 H new ATOM 0 HA ALA A 17 3.287 3.236 -12.827 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.931 4.619 -14.040 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.280 5.245 -14.257 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.397 6.054 -13.133 1.00 0.00 H new ATOM 288 N LYS A 18 5.451 5.061 -11.167 1.00 0.00 N ATOM 289 CA LYS A 18 6.613 5.023 -10.294 1.00 0.00 C ATOM 290 C LYS A 18 6.428 3.989 -9.176 1.00 0.00 C ATOM 291 O LYS A 18 7.328 3.223 -8.855 1.00 0.00 O ATOM 292 CB LYS A 18 6.837 6.428 -9.728 1.00 0.00 C ATOM 293 CG LYS A 18 8.197 6.613 -9.053 1.00 0.00 C ATOM 294 CD LYS A 18 8.283 5.937 -7.685 1.00 0.00 C ATOM 295 CE LYS A 18 9.564 6.317 -6.948 1.00 0.00 C ATOM 296 NZ LYS A 18 10.756 5.754 -7.573 1.00 0.00 N ATOM 0 H LYS A 18 5.256 5.975 -11.577 1.00 0.00 H new ATOM 0 HA LYS A 18 7.492 4.716 -10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.741 7.154 -10.535 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.051 6.648 -9.006 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.975 6.210 -9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.398 7.678 -8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.419 6.221 -7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.242 4.855 -7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.653 7.403 -6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.501 5.972 -5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.603 6.210 -7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.795 4.731 -7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.720 5.918 -8.599 1.00 0.00 H new ATOM 310 N ALA A 19 5.199 4.003 -8.628 1.00 0.00 N ATOM 311 CA ALA A 19 4.911 3.034 -7.586 1.00 0.00 C ATOM 312 C ALA A 19 5.130 1.618 -8.123 1.00 0.00 C ATOM 313 O ALA A 19 6.050 0.909 -7.733 1.00 0.00 O ATOM 314 CB ALA A 19 3.466 3.188 -7.112 1.00 0.00 C ATOM 0 H ALA A 19 4.440 4.637 -8.877 1.00 0.00 H new ATOM 0 HA ALA A 19 5.581 3.208 -6.744 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.260 2.457 -6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.318 4.193 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.789 3.024 -7.950 1.00 0.00 H new ATOM 320 N GLU A 20 4.208 1.263 -9.034 1.00 0.00 N ATOM 321 CA GLU A 20 4.256 -0.074 -9.595 1.00 0.00 C ATOM 322 C GLU A 20 5.681 -0.410 -10.043 1.00 0.00 C ATOM 323 O GLU A 20 6.254 -1.428 -9.675 1.00 0.00 O ATOM 324 CB GLU A 20 3.300 -0.160 -10.785 1.00 0.00 C ATOM 325 CG GLU A 20 1.846 0.064 -10.366 1.00 0.00 C ATOM 326 CD GLU A 20 0.933 -0.021 -11.590 1.00 0.00 C ATOM 327 OE1 GLU A 20 1.026 0.850 -12.454 1.00 0.00 O ATOM 328 OE2 GLU A 20 0.137 -0.956 -11.665 1.00 0.00 O ATOM 0 H GLU A 20 3.457 1.861 -9.378 1.00 0.00 H new ATOM 0 HA GLU A 20 3.953 -0.793 -8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.581 0.583 -11.531 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.395 -1.138 -11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.551 -0.683 -9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.741 1.039 -9.890 1.00 0.00 H new ATOM 335 N GLU A 21 6.200 0.518 -10.863 1.00 0.00 N ATOM 336 CA GLU A 21 7.532 0.336 -11.403 1.00 0.00 C ATOM 337 C GLU A 21 8.474 -0.233 -10.336 1.00 0.00 C ATOM 338 O GLU A 21 8.667 -1.438 -10.224 1.00 0.00 O ATOM 339 CB GLU A 21 8.034 1.678 -11.926 1.00 0.00 C ATOM 340 CG GLU A 21 7.079 2.225 -12.987 1.00 0.00 C ATOM 341 CD GLU A 21 7.091 1.313 -14.215 1.00 0.00 C ATOM 342 OE1 GLU A 21 8.080 0.609 -14.413 1.00 0.00 O ATOM 343 OE2 GLU A 21 6.110 1.313 -14.956 1.00 0.00 O ATOM 0 H GLU A 21 5.725 1.373 -11.153 1.00 0.00 H new ATOM 0 HA GLU A 21 7.505 -0.381 -12.224 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.119 2.388 -11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.031 1.561 -12.350 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.069 2.291 -12.581 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.375 3.235 -13.270 1.00 0.00 H new ATOM 350 N MET A 22 9.058 0.714 -9.581 1.00 0.00 N ATOM 351 CA MET A 22 10.033 0.297 -8.590 1.00 0.00 C ATOM 352 C MET A 22 9.453 -0.825 -7.720 1.00 0.00 C ATOM 353 O MET A 22 10.044 -1.887 -7.579 1.00 0.00 O ATOM 354 CB MET A 22 10.469 1.509 -7.756 1.00 0.00 C ATOM 355 CG MET A 22 9.379 2.020 -6.812 1.00 0.00 C ATOM 356 SD MET A 22 9.860 3.579 -6.054 1.00 0.00 S ATOM 357 CE MET A 22 10.672 2.909 -4.595 1.00 0.00 C ATOM 0 H MET A 22 8.878 1.716 -9.639 1.00 0.00 H new ATOM 0 HA MET A 22 10.918 -0.103 -9.085 1.00 0.00 H new ATOM 0 HB2 MET A 22 11.349 1.241 -7.172 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.765 2.315 -8.427 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.448 2.152 -7.363 1.00 0.00 H new ATOM 0 HG3 MET A 22 9.188 1.278 -6.036 1.00 0.00 H new ATOM 0 HE1 MET A 22 11.048 3.727 -3.980 1.00 0.00 H new ATOM 0 HE2 MET A 22 9.958 2.321 -4.019 1.00 0.00 H new ATOM 0 HE3 MET A 22 11.503 2.273 -4.901 1.00 0.00 H new ATOM 367 N LEU A 23 8.265 -0.541 -7.160 1.00 0.00 N ATOM 368 CA LEU A 23 7.667 -1.563 -6.311 1.00 0.00 C ATOM 369 C LEU A 23 7.666 -2.958 -6.970 1.00 0.00 C ATOM 370 O LEU A 23 7.578 -3.977 -6.296 1.00 0.00 O ATOM 371 CB LEU A 23 6.229 -1.178 -5.980 1.00 0.00 C ATOM 372 CG LEU A 23 5.554 -2.246 -5.119 1.00 0.00 C ATOM 373 CD1 LEU A 23 6.356 -2.501 -3.844 1.00 0.00 C ATOM 374 CD2 LEU A 23 4.121 -1.837 -4.778 1.00 0.00 C ATOM 0 H LEU A 23 7.737 0.325 -7.271 1.00 0.00 H new ATOM 0 HA LEU A 23 8.274 -1.620 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.217 -0.223 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.665 -1.041 -6.903 1.00 0.00 H new ATOM 0 HG LEU A 23 5.520 -3.172 -5.692 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.857 -3.264 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.357 -2.842 -4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.427 -1.578 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.658 -2.610 -4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.132 -0.896 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.549 -1.713 -5.698 1.00 0.00 H new ATOM 386 N SER A 24 7.761 -2.942 -8.313 1.00 0.00 N ATOM 387 CA SER A 24 7.777 -4.206 -9.036 1.00 0.00 C ATOM 388 C SER A 24 9.195 -4.804 -9.059 1.00 0.00 C ATOM 389 O SER A 24 9.387 -6.011 -8.976 1.00 0.00 O ATOM 390 CB SER A 24 7.276 -3.990 -10.464 1.00 0.00 C ATOM 391 OG SER A 24 7.236 -5.208 -11.164 1.00 0.00 O ATOM 0 H SER A 24 7.825 -2.103 -8.889 1.00 0.00 H new ATOM 0 HA SER A 24 7.118 -4.908 -8.524 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.282 -3.544 -10.443 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.929 -3.288 -10.982 1.00 0.00 H new ATOM 0 HG SER A 24 6.912 -5.051 -12.075 1.00 0.00 H new ATOM 397 N LYS A 25 10.163 -3.874 -9.159 1.00 0.00 N ATOM 398 CA LYS A 25 11.565 -4.214 -9.042 1.00 0.00 C ATOM 399 C LYS A 25 11.826 -5.213 -7.888 1.00 0.00 C ATOM 400 O LYS A 25 12.805 -5.950 -7.894 1.00 0.00 O ATOM 401 CB LYS A 25 12.278 -2.883 -8.792 1.00 0.00 C ATOM 402 CG LYS A 25 12.538 -2.623 -7.314 1.00 0.00 C ATOM 403 CD LYS A 25 12.738 -1.133 -7.091 1.00 0.00 C ATOM 404 CE LYS A 25 13.069 -0.794 -5.637 1.00 0.00 C ATOM 405 NZ LYS A 25 14.358 -1.333 -5.220 1.00 0.00 N ATOM 0 H LYS A 25 9.984 -2.883 -9.321 1.00 0.00 H new ATOM 0 HA LYS A 25 11.928 -4.713 -9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.226 -2.877 -9.330 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.675 -2.071 -9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.699 -2.982 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.420 -3.173 -6.987 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.543 -0.778 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.834 -0.601 -7.387 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.073 0.289 -5.511 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.287 -1.187 -4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.592 -0.979 -4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.310 -2.372 -5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.093 -1.033 -5.892 1.00 0.00 H new ATOM 419 N GLN A 26 10.900 -5.178 -6.906 1.00 0.00 N ATOM 420 CA GLN A 26 11.032 -5.989 -5.715 1.00 0.00 C ATOM 421 C GLN A 26 11.224 -7.457 -6.087 1.00 0.00 C ATOM 422 O GLN A 26 10.649 -7.975 -7.036 1.00 0.00 O ATOM 423 CB GLN A 26 9.785 -5.787 -4.855 1.00 0.00 C ATOM 424 CG GLN A 26 9.701 -4.345 -4.361 1.00 0.00 C ATOM 425 CD GLN A 26 10.883 -4.028 -3.442 1.00 0.00 C ATOM 426 OE1 GLN A 26 11.751 -4.855 -3.192 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.846 -2.773 -2.958 1.00 0.00 N ATOM 0 H GLN A 26 10.064 -4.595 -6.930 1.00 0.00 H new ATOM 0 HA GLN A 26 11.912 -5.686 -5.147 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.894 -6.031 -5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.809 -6.468 -4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.699 -3.662 -5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.764 -4.191 -3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.083 -2.148 -3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.581 -2.447 -2.330 1.00 0.00 H new ATOM 436 N ARG A 27 12.097 -8.071 -5.272 1.00 0.00 N ATOM 437 CA ARG A 27 12.458 -9.446 -5.542 1.00 0.00 C ATOM 438 C ARG A 27 11.393 -10.397 -4.990 1.00 0.00 C ATOM 439 O ARG A 27 10.666 -11.052 -5.727 1.00 0.00 O ATOM 440 CB ARG A 27 13.815 -9.749 -4.916 1.00 0.00 C ATOM 441 CG ARG A 27 14.425 -11.005 -5.528 1.00 0.00 C ATOM 442 CD ARG A 27 14.813 -10.768 -6.986 1.00 0.00 C ATOM 443 NE ARG A 27 15.413 -11.963 -7.550 1.00 0.00 N ATOM 444 CZ ARG A 27 14.606 -12.927 -8.031 1.00 0.00 C ATOM 445 NH1 ARG A 27 13.284 -12.781 -7.985 1.00 0.00 N ATOM 446 NH2 ARG A 27 15.132 -14.031 -8.554 1.00 0.00 N ATOM 0 H ARG A 27 12.542 -7.648 -4.458 1.00 0.00 H new ATOM 0 HA ARG A 27 12.520 -9.593 -6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.486 -8.903 -5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.703 -9.881 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.305 -11.302 -4.957 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.712 -11.827 -5.466 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.931 -10.489 -7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.514 -9.936 -7.052 1.00 0.00 H new ATOM 0 HE ARG A 27 16.427 -12.070 -7.581 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.878 -11.936 -7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.677 -13.514 -8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.145 -14.146 -8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.522 -14.763 -8.919 1.00 0.00 H new ATOM 460 N HIS A 28 11.366 -10.434 -3.646 1.00 0.00 N ATOM 461 CA HIS A 28 10.444 -11.348 -3.003 1.00 0.00 C ATOM 462 C HIS A 28 9.022 -10.785 -3.076 1.00 0.00 C ATOM 463 O HIS A 28 8.690 -9.969 -3.927 1.00 0.00 O ATOM 464 CB HIS A 28 10.859 -11.562 -1.544 1.00 0.00 C ATOM 465 CG HIS A 28 12.246 -12.159 -1.489 1.00 0.00 C ATOM 466 ND1 HIS A 28 12.496 -13.487 -1.474 1.00 0.00 N ATOM 467 CD2 HIS A 28 13.472 -11.476 -1.447 1.00 0.00 C ATOM 468 CE1 HIS A 28 13.835 -13.605 -1.424 1.00 0.00 C ATOM 469 NE2 HIS A 28 14.451 -12.408 -1.406 1.00 0.00 N ATOM 0 H HIS A 28 11.944 -9.869 -3.023 1.00 0.00 H new ATOM 0 HA HIS A 28 10.468 -12.308 -3.518 1.00 0.00 H new ATOM 0 HB2 HIS A 28 10.840 -10.613 -1.008 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.149 -12.223 -1.047 1.00 0.00 H new ATOM 0 HD2 HIS A 28 13.608 -10.405 -1.447 1.00 0.00 H new ATOM 0 HE1 HIS A 28 14.356 -14.551 -1.401 1.00 0.00 H new ATOM 0 HE2 HIS A 28 15.456 -12.238 -1.369 1.00 0.00 H new ATOM 477 N ASP A 29 8.217 -11.281 -2.121 1.00 0.00 N ATOM 478 CA ASP A 29 6.828 -10.882 -2.092 1.00 0.00 C ATOM 479 C ASP A 29 6.491 -10.251 -0.739 1.00 0.00 C ATOM 480 O ASP A 29 6.781 -10.794 0.320 1.00 0.00 O ATOM 481 CB ASP A 29 5.956 -12.114 -2.328 1.00 0.00 C ATOM 482 CG ASP A 29 6.193 -13.162 -1.236 1.00 0.00 C ATOM 483 OD1 ASP A 29 7.160 -13.028 -0.488 1.00 0.00 O ATOM 484 OD2 ASP A 29 5.403 -14.100 -1.145 1.00 0.00 O ATOM 0 H ASP A 29 8.503 -11.934 -1.391 1.00 0.00 H new ATOM 0 HA ASP A 29 6.641 -10.145 -2.873 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.905 -11.825 -2.340 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.180 -12.542 -3.305 1.00 0.00 H new ATOM 489 N GLY A 30 5.856 -9.071 -0.853 1.00 0.00 N ATOM 490 CA GLY A 30 5.434 -8.398 0.362 1.00 0.00 C ATOM 491 C GLY A 30 6.092 -7.020 0.511 1.00 0.00 C ATOM 492 O GLY A 30 6.390 -6.570 1.610 1.00 0.00 O ATOM 0 H GLY A 30 5.638 -8.594 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.350 -8.284 0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.685 -9.015 1.225 1.00 0.00 H new ATOM 496 N ALA A 31 6.289 -6.379 -0.654 1.00 0.00 N ATOM 497 CA ALA A 31 6.777 -5.014 -0.609 1.00 0.00 C ATOM 498 C ALA A 31 5.587 -4.078 -0.807 1.00 0.00 C ATOM 499 O ALA A 31 4.772 -4.272 -1.700 1.00 0.00 O ATOM 500 CB ALA A 31 7.804 -4.805 -1.719 1.00 0.00 C ATOM 0 H ALA A 31 6.126 -6.767 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 31 7.255 -4.808 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.172 -3.779 -1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.637 -5.494 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.338 -4.993 -2.686 1.00 0.00 H new ATOM 506 N PHE A 32 5.512 -3.069 0.082 1.00 0.00 N ATOM 507 CA PHE A 32 4.312 -2.255 -0.005 1.00 0.00 C ATOM 508 C PHE A 32 4.605 -0.779 0.267 1.00 0.00 C ATOM 509 O PHE A 32 5.576 -0.411 0.917 1.00 0.00 O ATOM 510 CB PHE A 32 3.262 -2.772 0.982 1.00 0.00 C ATOM 511 CG PHE A 32 3.668 -2.536 2.409 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.560 -3.451 3.074 1.00 0.00 C ATOM 513 CD2 PHE A 32 3.165 -1.389 3.122 1.00 0.00 C ATOM 514 CE1 PHE A 32 4.947 -3.223 4.441 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.549 -1.160 4.490 1.00 0.00 C ATOM 516 CZ PHE A 32 4.440 -2.077 5.149 1.00 0.00 C ATOM 0 H PHE A 32 6.197 -2.822 0.796 1.00 0.00 H new ATOM 0 HA PHE A 32 3.929 -2.332 -1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.309 -2.279 0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.107 -3.839 0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.940 -4.312 2.544 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.497 -0.699 2.628 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.617 -3.911 4.935 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.168 -0.300 5.021 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.729 -1.906 6.175 1.00 0.00 H new ATOM 526 N LEU A 33 3.668 0.027 -0.264 1.00 0.00 N ATOM 527 CA LEU A 33 3.709 1.435 0.074 1.00 0.00 C ATOM 528 C LEU A 33 2.292 1.996 0.084 1.00 0.00 C ATOM 529 O LEU A 33 1.398 1.520 -0.605 1.00 0.00 O ATOM 530 CB LEU A 33 4.608 2.226 -0.882 1.00 0.00 C ATOM 531 CG LEU A 33 4.207 2.139 -2.358 1.00 0.00 C ATOM 532 CD1 LEU A 33 3.044 3.075 -2.701 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.408 2.479 -3.240 1.00 0.00 C ATOM 0 H LEU A 33 2.919 -0.262 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 33 4.143 1.537 1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.604 3.273 -0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.632 1.868 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 33 3.876 1.117 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.797 2.977 -3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.174 2.811 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.332 4.105 -2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.119 2.416 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.748 3.490 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.215 1.773 -3.043 1.00 0.00 H new ATOM 545 N ILE A 34 2.157 3.035 0.923 1.00 0.00 N ATOM 546 CA ILE A 34 0.872 3.699 0.981 1.00 0.00 C ATOM 547 C ILE A 34 1.006 5.094 0.374 1.00 0.00 C ATOM 548 O ILE A 34 1.655 5.981 0.914 1.00 0.00 O ATOM 549 CB ILE A 34 0.400 3.776 2.432 1.00 0.00 C ATOM 550 CG1 ILE A 34 0.124 2.376 2.979 1.00 0.00 C ATOM 551 CG2 ILE A 34 -0.846 4.653 2.556 1.00 0.00 C ATOM 552 CD1 ILE A 34 -0.279 2.414 4.453 1.00 0.00 C ATOM 0 H ILE A 34 2.884 3.408 1.534 1.00 0.00 H new ATOM 0 HA ILE A 34 0.131 3.138 0.412 1.00 0.00 H new ATOM 0 HB ILE A 34 1.195 4.231 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.670 1.908 2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.014 1.757 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.162 4.691 3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.618 5.661 2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.648 4.233 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.467 1.400 4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.526 2.858 5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.184 3.011 4.568 1.00 0.00 H new ATOM 564 N ARG A 35 0.356 5.207 -0.797 1.00 0.00 N ATOM 565 CA ARG A 35 0.492 6.445 -1.536 1.00 0.00 C ATOM 566 C ARG A 35 -0.694 7.364 -1.242 1.00 0.00 C ATOM 567 O ARG A 35 -1.854 6.981 -1.337 1.00 0.00 O ATOM 568 CB ARG A 35 0.592 6.129 -3.027 1.00 0.00 C ATOM 569 CG ARG A 35 -0.632 5.366 -3.533 1.00 0.00 C ATOM 570 CD ARG A 35 -0.442 4.891 -4.973 1.00 0.00 C ATOM 571 NE ARG A 35 -1.626 4.185 -5.426 1.00 0.00 N ATOM 572 CZ ARG A 35 -1.544 3.429 -6.537 1.00 0.00 C ATOM 573 NH1 ARG A 35 -0.396 3.336 -7.203 1.00 0.00 N ATOM 574 NH2 ARG A 35 -2.616 2.772 -6.972 1.00 0.00 N ATOM 0 H ARG A 35 -0.234 4.492 -1.223 1.00 0.00 H new ATOM 0 HA ARG A 35 1.399 6.965 -1.227 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.698 7.057 -3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.490 5.539 -3.213 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.819 4.508 -2.888 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.512 6.007 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.247 5.744 -5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.427 4.237 -5.037 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.504 4.260 -4.912 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.428 3.839 -6.872 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.339 2.762 -8.044 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.498 2.842 -6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.556 2.199 -7.814 1.00 0.00 H new ATOM 588 N GLU A 36 -0.312 8.598 -0.864 1.00 0.00 N ATOM 589 CA GLU A 36 -1.339 9.553 -0.496 1.00 0.00 C ATOM 590 C GLU A 36 -1.979 10.145 -1.752 1.00 0.00 C ATOM 591 O GLU A 36 -1.312 10.668 -2.636 1.00 0.00 O ATOM 592 CB GLU A 36 -0.729 10.666 0.357 1.00 0.00 C ATOM 593 CG GLU A 36 -1.782 11.679 0.808 1.00 0.00 C ATOM 594 CD GLU A 36 -1.123 12.771 1.654 1.00 0.00 C ATOM 595 OE1 GLU A 36 -0.559 13.699 1.077 1.00 0.00 O ATOM 596 OE2 GLU A 36 -1.186 12.682 2.879 1.00 0.00 O ATOM 0 H GLU A 36 0.650 8.933 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.109 9.043 0.083 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.246 10.230 1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.046 11.177 -0.213 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.268 12.123 -0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.558 11.177 1.386 1.00 0.00 H new ATOM 603 N SER A 37 -3.318 10.021 -1.762 1.00 0.00 N ATOM 604 CA SER A 37 -4.058 10.532 -2.894 1.00 0.00 C ATOM 605 C SER A 37 -3.789 12.029 -3.061 1.00 0.00 C ATOM 606 O SER A 37 -3.725 12.790 -2.103 1.00 0.00 O ATOM 607 CB SER A 37 -5.547 10.278 -2.670 1.00 0.00 C ATOM 608 OG SER A 37 -5.795 8.906 -2.499 1.00 0.00 O ATOM 0 H SER A 37 -3.877 9.589 -1.026 1.00 0.00 H new ATOM 0 HA SER A 37 -3.739 10.023 -3.804 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.887 10.827 -1.792 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.117 10.653 -3.520 1.00 0.00 H new ATOM 0 HG SER A 37 -5.540 8.638 -1.591 1.00 0.00 H new ATOM 614 N GLU A 38 -3.629 12.384 -4.348 1.00 0.00 N ATOM 615 CA GLU A 38 -3.343 13.769 -4.676 1.00 0.00 C ATOM 616 C GLU A 38 -4.143 14.715 -3.771 1.00 0.00 C ATOM 617 O GLU A 38 -3.692 15.117 -2.706 1.00 0.00 O ATOM 618 CB GLU A 38 -3.663 14.025 -6.149 1.00 0.00 C ATOM 619 CG GLU A 38 -3.303 15.453 -6.555 1.00 0.00 C ATOM 620 CD GLU A 38 -1.793 15.664 -6.432 1.00 0.00 C ATOM 621 OE1 GLU A 38 -1.085 15.418 -7.407 1.00 0.00 O ATOM 622 OE2 GLU A 38 -1.342 16.075 -5.364 1.00 0.00 O ATOM 0 H GLU A 38 -3.692 11.749 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.284 13.963 -4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.113 13.318 -6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.724 13.850 -6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.623 15.641 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.831 16.165 -5.921 1.00 0.00 H new ATOM 629 N SER A 39 -5.343 15.056 -4.275 1.00 0.00 N ATOM 630 CA SER A 39 -6.146 16.016 -3.539 1.00 0.00 C ATOM 631 C SER A 39 -7.062 15.315 -2.526 1.00 0.00 C ATOM 632 O SER A 39 -7.299 15.810 -1.432 1.00 0.00 O ATOM 633 CB SER A 39 -6.985 16.839 -4.517 1.00 0.00 C ATOM 634 OG SER A 39 -6.160 17.501 -5.442 1.00 0.00 O ATOM 0 H SER A 39 -5.750 14.699 -5.139 1.00 0.00 H new ATOM 0 HA SER A 39 -5.474 16.673 -2.987 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.682 16.187 -5.044 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.583 17.567 -3.968 1.00 0.00 H new ATOM 0 HG SER A 39 -6.714 18.021 -6.061 1.00 0.00 H new ATOM 640 N ALA A 40 -7.558 14.138 -2.956 1.00 0.00 N ATOM 641 CA ALA A 40 -8.467 13.412 -2.088 1.00 0.00 C ATOM 642 C ALA A 40 -7.959 13.448 -0.643 1.00 0.00 C ATOM 643 O ALA A 40 -6.767 13.528 -0.374 1.00 0.00 O ATOM 644 CB ALA A 40 -8.595 11.966 -2.569 1.00 0.00 C ATOM 0 H ALA A 40 -7.351 13.699 -3.853 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.448 13.886 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.278 11.424 -1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.982 11.954 -3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.616 11.487 -2.548 1.00 0.00 H new ATOM 650 N PRO A 41 -8.951 13.395 0.272 1.00 0.00 N ATOM 651 CA PRO A 41 -8.711 13.462 1.706 1.00 0.00 C ATOM 652 C PRO A 41 -8.040 12.172 2.208 1.00 0.00 C ATOM 653 O PRO A 41 -6.916 11.859 1.833 1.00 0.00 O ATOM 654 CB PRO A 41 -10.113 13.685 2.290 1.00 0.00 C ATOM 655 CG PRO A 41 -11.068 13.086 1.254 1.00 0.00 C ATOM 656 CD PRO A 41 -10.357 13.286 -0.087 1.00 0.00 C ATOM 0 HA PRO A 41 -8.024 14.254 2.004 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.221 13.195 3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.313 14.745 2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.254 12.030 1.450 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.035 13.589 1.269 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.533 12.447 -0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.710 14.183 -0.596 1.00 0.00 H new ATOM 664 N GLY A 42 -8.773 11.457 3.081 1.00 0.00 N ATOM 665 CA GLY A 42 -8.175 10.273 3.668 1.00 0.00 C ATOM 666 C GLY A 42 -8.267 9.084 2.710 1.00 0.00 C ATOM 667 O GLY A 42 -8.820 8.038 3.030 1.00 0.00 O ATOM 0 H GLY A 42 -9.726 11.671 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.131 10.470 3.910 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.679 10.031 4.604 1.00 0.00 H new ATOM 671 N ASP A 43 -7.680 9.314 1.523 1.00 0.00 N ATOM 672 CA ASP A 43 -7.655 8.232 0.557 1.00 0.00 C ATOM 673 C ASP A 43 -6.259 7.605 0.535 1.00 0.00 C ATOM 674 O ASP A 43 -5.267 8.243 0.202 1.00 0.00 O ATOM 675 CB ASP A 43 -8.025 8.758 -0.830 1.00 0.00 C ATOM 676 CG ASP A 43 -9.455 9.303 -0.821 1.00 0.00 C ATOM 677 OD1 ASP A 43 -9.926 9.707 0.241 1.00 0.00 O ATOM 678 OD2 ASP A 43 -10.085 9.313 -1.878 1.00 0.00 O ATOM 0 H ASP A 43 -7.244 10.189 1.231 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.383 7.473 0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.330 9.543 -1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.937 7.959 -1.566 1.00 0.00 H new ATOM 683 N PHE A 44 -6.258 6.316 0.919 1.00 0.00 N ATOM 684 CA PHE A 44 -4.989 5.619 0.989 1.00 0.00 C ATOM 685 C PHE A 44 -5.115 4.244 0.331 1.00 0.00 C ATOM 686 O PHE A 44 -6.024 3.475 0.617 1.00 0.00 O ATOM 687 CB PHE A 44 -4.577 5.457 2.452 1.00 0.00 C ATOM 688 CG PHE A 44 -4.400 6.789 3.120 1.00 0.00 C ATOM 689 CD1 PHE A 44 -3.138 7.478 3.042 1.00 0.00 C ATOM 690 CD2 PHE A 44 -5.492 7.387 3.846 1.00 0.00 C ATOM 691 CE1 PHE A 44 -2.967 8.756 3.682 1.00 0.00 C ATOM 692 CE2 PHE A 44 -5.324 8.664 4.487 1.00 0.00 C ATOM 693 CZ PHE A 44 -4.061 9.348 4.404 1.00 0.00 C ATOM 0 H PHE A 44 -7.082 5.770 1.171 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.230 6.197 0.461 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.333 4.879 2.983 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.646 4.893 2.509 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.316 7.034 2.501 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.440 6.874 3.909 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.019 9.269 3.620 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.145 9.109 5.030 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.934 10.307 4.884 1.00 0.00 H new ATOM 703 N SER A 45 -4.141 3.990 -0.561 1.00 0.00 N ATOM 704 CA SER A 45 -4.129 2.691 -1.207 1.00 0.00 C ATOM 705 C SER A 45 -2.825 1.965 -0.869 1.00 0.00 C ATOM 706 O SER A 45 -1.729 2.481 -1.055 1.00 0.00 O ATOM 707 CB SER A 45 -4.271 2.856 -2.720 1.00 0.00 C ATOM 708 OG SER A 45 -3.228 3.645 -3.234 1.00 0.00 O ATOM 0 H SER A 45 -3.397 4.633 -0.832 1.00 0.00 H new ATOM 0 HA SER A 45 -4.970 2.099 -0.845 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.264 1.877 -3.200 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.231 3.317 -2.952 1.00 0.00 H new ATOM 0 HG SER A 45 -3.549 4.560 -3.374 1.00 0.00 H new ATOM 714 N LEU A 46 -3.027 0.739 -0.355 1.00 0.00 N ATOM 715 CA LEU A 46 -1.872 -0.047 0.029 1.00 0.00 C ATOM 716 C LEU A 46 -1.465 -0.952 -1.135 1.00 0.00 C ATOM 717 O LEU A 46 -2.197 -1.844 -1.547 1.00 0.00 O ATOM 718 CB LEU A 46 -2.219 -0.882 1.264 1.00 0.00 C ATOM 719 CG LEU A 46 -0.983 -1.394 2.008 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.391 -2.018 3.342 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.190 -2.402 1.175 1.00 0.00 C ATOM 0 H LEU A 46 -3.935 0.300 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.036 0.609 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.822 -0.281 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.831 -1.731 0.961 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.334 -0.538 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.503 -2.378 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.892 -1.269 3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.069 -2.852 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.678 -2.739 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.823 -3.257 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.141 -1.929 0.250 1.00 0.00 H new ATOM 733 N SER A 47 -0.255 -0.654 -1.639 1.00 0.00 N ATOM 734 CA SER A 47 0.221 -1.437 -2.763 1.00 0.00 C ATOM 735 C SER A 47 1.084 -2.595 -2.259 1.00 0.00 C ATOM 736 O SER A 47 1.815 -2.476 -1.284 1.00 0.00 O ATOM 737 CB SER A 47 1.041 -0.550 -3.699 1.00 0.00 C ATOM 738 OG SER A 47 2.207 -0.111 -3.053 1.00 0.00 O ATOM 0 H SER A 47 0.369 0.079 -1.303 1.00 0.00 H new ATOM 0 HA SER A 47 -0.634 -1.839 -3.307 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.303 -1.104 -4.600 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.446 0.307 -4.013 1.00 0.00 H new ATOM 0 HG SER A 47 1.970 0.532 -2.352 1.00 0.00 H new ATOM 744 N VAL A 48 0.950 -3.717 -2.991 1.00 0.00 N ATOM 745 CA VAL A 48 1.773 -4.860 -2.644 1.00 0.00 C ATOM 746 C VAL A 48 2.134 -5.639 -3.909 1.00 0.00 C ATOM 747 O VAL A 48 1.307 -5.866 -4.784 1.00 0.00 O ATOM 748 CB VAL A 48 1.029 -5.783 -1.679 1.00 0.00 C ATOM 749 CG1 VAL A 48 1.909 -6.973 -1.290 1.00 0.00 C ATOM 750 CG2 VAL A 48 0.564 -5.022 -0.439 1.00 0.00 C ATOM 0 H VAL A 48 0.315 -3.843 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 48 2.681 -4.499 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 48 0.143 -6.163 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.364 -7.620 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.175 -7.536 -2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.816 -6.612 -0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.038 -5.703 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.428 -4.603 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.107 -4.216 -0.737 1.00 0.00 H new ATOM 760 N LYS A 49 3.418 -6.038 -3.940 1.00 0.00 N ATOM 761 CA LYS A 49 3.818 -6.868 -5.058 1.00 0.00 C ATOM 762 C LYS A 49 3.233 -8.269 -4.867 1.00 0.00 C ATOM 763 O LYS A 49 3.804 -9.126 -4.204 1.00 0.00 O ATOM 764 CB LYS A 49 5.343 -6.930 -5.162 1.00 0.00 C ATOM 765 CG LYS A 49 5.782 -7.764 -6.366 1.00 0.00 C ATOM 766 CD LYS A 49 7.296 -7.780 -6.562 1.00 0.00 C ATOM 767 CE LYS A 49 7.702 -8.709 -7.707 1.00 0.00 C ATOM 768 NZ LYS A 49 7.168 -8.271 -8.991 1.00 0.00 N ATOM 0 H LYS A 49 4.139 -5.814 -3.254 1.00 0.00 H new ATOM 0 HA LYS A 49 3.439 -6.439 -5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.745 -5.921 -5.249 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.755 -7.360 -4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.427 -8.787 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.309 -7.370 -7.266 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.648 -6.769 -6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.780 -8.103 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.789 -8.756 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.350 -9.719 -7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.564 -8.860 -9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.132 -8.363 -8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.426 -7.277 -9.153 1.00 0.00 H new ATOM 782 N PHE A 50 2.050 -8.428 -5.487 1.00 0.00 N ATOM 783 CA PHE A 50 1.341 -9.682 -5.311 1.00 0.00 C ATOM 784 C PHE A 50 1.702 -10.668 -6.429 1.00 0.00 C ATOM 785 O PHE A 50 0.856 -11.383 -6.954 1.00 0.00 O ATOM 786 CB PHE A 50 -0.165 -9.410 -5.305 1.00 0.00 C ATOM 787 CG PHE A 50 -0.962 -10.666 -5.105 1.00 0.00 C ATOM 788 CD1 PHE A 50 -0.409 -11.775 -4.370 1.00 0.00 C ATOM 789 CD2 PHE A 50 -2.291 -10.770 -5.651 1.00 0.00 C ATOM 790 CE1 PHE A 50 -1.178 -12.976 -4.181 1.00 0.00 C ATOM 791 CE2 PHE A 50 -3.062 -11.970 -5.464 1.00 0.00 C ATOM 792 CZ PHE A 50 -2.505 -13.073 -4.728 1.00 0.00 C ATOM 0 H PHE A 50 1.593 -7.737 -6.082 1.00 0.00 H new ATOM 0 HA PHE A 50 1.633 -10.130 -4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.402 -8.700 -4.513 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.453 -8.944 -6.247 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.587 -11.704 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.711 -9.943 -6.204 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.759 -13.804 -3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.058 -12.043 -5.876 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.083 -13.974 -4.586 1.00 0.00 H new ATOM 802 N GLY A 51 3.008 -10.657 -6.756 1.00 0.00 N ATOM 803 CA GLY A 51 3.458 -11.551 -7.805 1.00 0.00 C ATOM 804 C GLY A 51 2.713 -11.267 -9.107 1.00 0.00 C ATOM 805 O GLY A 51 1.543 -10.904 -9.120 1.00 0.00 O ATOM 0 H GLY A 51 3.724 -10.070 -6.329 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.530 -11.430 -7.959 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.294 -12.586 -7.504 1.00 0.00 H new ATOM 809 N ASN A 52 3.486 -11.450 -10.192 1.00 0.00 N ATOM 810 CA ASN A 52 2.941 -11.192 -11.515 1.00 0.00 C ATOM 811 C ASN A 52 2.769 -9.684 -11.751 1.00 0.00 C ATOM 812 O ASN A 52 2.960 -9.189 -12.855 1.00 0.00 O ATOM 813 CB ASN A 52 1.612 -11.925 -11.709 1.00 0.00 C ATOM 814 CG ASN A 52 1.145 -11.766 -13.158 1.00 0.00 C ATOM 815 OD1 ASN A 52 -0.017 -11.499 -13.438 1.00 0.00 O ATOM 816 ND2 ASN A 52 2.135 -11.943 -14.051 1.00 0.00 N ATOM 0 H ASN A 52 4.456 -11.765 -10.173 1.00 0.00 H new ATOM 0 HA ASN A 52 3.649 -11.572 -12.251 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.729 -12.982 -11.468 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.861 -11.524 -11.028 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.943 -11.856 -15.049 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.078 -12.164 -13.730 1.00 0.00 H new ATOM 823 N ASP A 53 2.414 -8.986 -10.655 1.00 0.00 N ATOM 824 CA ASP A 53 2.311 -7.548 -10.789 1.00 0.00 C ATOM 825 C ASP A 53 2.110 -6.900 -9.417 1.00 0.00 C ATOM 826 O ASP A 53 2.343 -7.496 -8.372 1.00 0.00 O ATOM 827 CB ASP A 53 1.149 -7.196 -11.718 1.00 0.00 C ATOM 828 CG ASP A 53 -0.165 -7.706 -11.123 1.00 0.00 C ATOM 829 OD1 ASP A 53 -0.158 -8.147 -9.975 1.00 0.00 O ATOM 830 OD2 ASP A 53 -1.180 -7.658 -11.816 1.00 0.00 O ATOM 0 H ASP A 53 2.209 -9.373 -9.734 1.00 0.00 H new ATOM 0 HA ASP A 53 3.236 -7.165 -11.219 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.099 -6.116 -11.860 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.310 -7.640 -12.701 1.00 0.00 H new ATOM 835 N VAL A 54 1.663 -5.635 -9.509 1.00 0.00 N ATOM 836 CA VAL A 54 1.476 -4.871 -8.292 1.00 0.00 C ATOM 837 C VAL A 54 -0.017 -4.680 -8.018 1.00 0.00 C ATOM 838 O VAL A 54 -0.766 -4.165 -8.840 1.00 0.00 O ATOM 839 CB VAL A 54 2.165 -3.514 -8.439 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.935 -2.645 -7.202 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.660 -3.698 -8.706 1.00 0.00 C ATOM 0 H VAL A 54 1.437 -5.149 -10.377 1.00 0.00 H new ATOM 0 HA VAL A 54 1.916 -5.409 -7.452 1.00 0.00 H new ATOM 0 HB VAL A 54 1.725 -3.000 -9.294 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.436 -1.686 -7.333 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.866 -2.481 -7.066 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.339 -3.148 -6.324 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.134 -2.722 -8.808 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.114 -4.237 -7.875 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.798 -4.266 -9.626 1.00 0.00 H new ATOM 851 N GLN A 55 -0.390 -5.130 -6.807 1.00 0.00 N ATOM 852 CA GLN A 55 -1.780 -4.984 -6.418 1.00 0.00 C ATOM 853 C GLN A 55 -1.932 -3.779 -5.491 1.00 0.00 C ATOM 854 O GLN A 55 -0.988 -3.316 -4.863 1.00 0.00 O ATOM 855 CB GLN A 55 -2.267 -6.258 -5.728 1.00 0.00 C ATOM 856 CG GLN A 55 -3.714 -6.139 -5.246 1.00 0.00 C ATOM 857 CD GLN A 55 -4.180 -7.472 -4.654 1.00 0.00 C ATOM 858 OE1 GLN A 55 -5.327 -7.877 -4.801 1.00 0.00 O ATOM 859 NE2 GLN A 55 -3.211 -8.125 -3.987 1.00 0.00 N ATOM 0 H GLN A 55 0.222 -5.573 -6.122 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.388 -4.820 -7.308 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.184 -7.097 -6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.620 -6.479 -4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.793 -5.351 -4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.360 -5.855 -6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.280 -7.716 -3.911 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.408 -9.029 -3.557 1.00 0.00 H new ATOM 868 N HIS A 56 -3.188 -3.301 -5.470 1.00 0.00 N ATOM 869 CA HIS A 56 -3.461 -2.115 -4.682 1.00 0.00 C ATOM 870 C HIS A 56 -4.766 -2.286 -3.899 1.00 0.00 C ATOM 871 O HIS A 56 -5.783 -2.725 -4.422 1.00 0.00 O ATOM 872 CB HIS A 56 -3.532 -0.889 -5.596 1.00 0.00 C ATOM 873 CG HIS A 56 -4.732 -0.966 -6.514 1.00 0.00 C ATOM 874 ND1 HIS A 56 -5.367 0.124 -6.998 1.00 0.00 N ATOM 875 CD2 HIS A 56 -5.379 -2.111 -7.012 1.00 0.00 C ATOM 876 CE1 HIS A 56 -6.367 -0.344 -7.765 1.00 0.00 C ATOM 877 NE2 HIS A 56 -6.399 -1.688 -7.793 1.00 0.00 N ATOM 0 H HIS A 56 -3.985 -3.701 -5.966 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.653 -1.968 -3.966 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.589 0.017 -4.992 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.620 -0.820 -6.189 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.111 -3.137 -6.809 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.064 0.286 -8.297 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.061 -2.273 -8.302 1.00 0.00 H new ATOM 885 N PHE A 57 -4.658 -1.910 -2.612 1.00 0.00 N ATOM 886 CA PHE A 57 -5.835 -2.007 -1.772 1.00 0.00 C ATOM 887 C PHE A 57 -6.300 -0.607 -1.363 1.00 0.00 C ATOM 888 O PHE A 57 -5.652 0.088 -0.590 1.00 0.00 O ATOM 889 CB PHE A 57 -5.518 -2.823 -0.520 1.00 0.00 C ATOM 890 CG PHE A 57 -5.083 -4.217 -0.862 1.00 0.00 C ATOM 891 CD1 PHE A 57 -6.063 -5.257 -1.043 1.00 0.00 C ATOM 892 CD2 PHE A 57 -3.684 -4.528 -1.007 1.00 0.00 C ATOM 893 CE1 PHE A 57 -5.649 -6.598 -1.364 1.00 0.00 C ATOM 894 CE2 PHE A 57 -3.267 -5.867 -1.328 1.00 0.00 C ATOM 895 CZ PHE A 57 -4.250 -6.902 -1.506 1.00 0.00 C ATOM 0 H PHE A 57 -3.813 -1.557 -2.162 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.627 -2.502 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.732 -2.326 0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.399 -2.863 0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.114 -5.030 -0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.944 -3.752 -0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.388 -7.375 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.217 -6.095 -1.435 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.938 -7.908 -1.746 1.00 0.00 H new ATOM 905 N LYS A 58 -7.468 -0.251 -1.925 1.00 0.00 N ATOM 906 CA LYS A 58 -8.022 1.042 -1.580 1.00 0.00 C ATOM 907 C LYS A 58 -8.557 1.019 -0.147 1.00 0.00 C ATOM 908 O LYS A 58 -9.655 0.550 0.126 1.00 0.00 O ATOM 909 CB LYS A 58 -9.153 1.372 -2.552 1.00 0.00 C ATOM 910 CG LYS A 58 -8.652 1.419 -3.993 1.00 0.00 C ATOM 911 CD LYS A 58 -7.863 2.694 -4.285 1.00 0.00 C ATOM 912 CE LYS A 58 -8.738 3.945 -4.187 1.00 0.00 C ATOM 913 NZ LYS A 58 -7.994 5.165 -4.477 1.00 0.00 N ATOM 0 H LYS A 58 -8.011 -0.812 -2.581 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.244 1.802 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.941 0.624 -2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.594 2.333 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.022 0.551 -4.186 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.501 1.354 -4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.034 2.776 -3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.430 2.632 -5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.573 3.857 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.163 4.011 -3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.628 5.985 -4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.213 5.265 -3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.610 5.116 -5.442 1.00 0.00 H new ATOM 927 N VAL A 59 -7.715 1.580 0.738 1.00 0.00 N ATOM 928 CA VAL A 59 -8.175 1.741 2.103 1.00 0.00 C ATOM 929 C VAL A 59 -9.220 2.858 2.136 1.00 0.00 C ATOM 930 O VAL A 59 -8.913 4.027 2.336 1.00 0.00 O ATOM 931 CB VAL A 59 -6.993 2.085 3.011 1.00 0.00 C ATOM 932 CG1 VAL A 59 -7.458 2.296 4.453 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.922 0.996 2.940 1.00 0.00 C ATOM 0 H VAL A 59 -6.770 1.908 0.539 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.622 0.814 2.462 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.554 3.018 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.600 2.539 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.177 3.115 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.929 1.384 4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.090 1.260 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.348 0.045 3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.563 0.905 1.915 1.00 0.00 H new ATOM 943 N LEU A 60 -10.469 2.413 1.911 1.00 0.00 N ATOM 944 CA LEU A 60 -11.534 3.383 1.777 1.00 0.00 C ATOM 945 C LEU A 60 -11.897 3.978 3.135 1.00 0.00 C ATOM 946 O LEU A 60 -11.614 3.426 4.191 1.00 0.00 O ATOM 947 CB LEU A 60 -12.759 2.706 1.170 1.00 0.00 C ATOM 948 CG LEU A 60 -12.447 2.057 -0.180 1.00 0.00 C ATOM 949 CD1 LEU A 60 -13.680 1.348 -0.739 1.00 0.00 C ATOM 950 CD2 LEU A 60 -11.920 3.090 -1.177 1.00 0.00 C ATOM 0 H LEU A 60 -10.744 1.435 1.824 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.195 4.189 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -13.132 1.948 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.554 3.441 1.043 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.667 1.312 -0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.435 0.894 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.001 0.573 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.485 2.070 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.706 2.602 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.671 3.866 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.007 3.540 -0.787 1.00 0.00 H new ATOM 962 N ARG A 61 -12.553 5.146 3.015 1.00 0.00 N ATOM 963 CA ARG A 61 -13.025 5.814 4.209 1.00 0.00 C ATOM 964 C ARG A 61 -14.516 5.508 4.384 1.00 0.00 C ATOM 965 O ARG A 61 -15.132 4.828 3.573 1.00 0.00 O ATOM 966 CB ARG A 61 -12.788 7.318 4.055 1.00 0.00 C ATOM 967 CG ARG A 61 -12.752 8.068 5.389 1.00 0.00 C ATOM 968 CD ARG A 61 -11.584 7.601 6.255 1.00 0.00 C ATOM 969 NE ARG A 61 -11.465 8.442 7.432 1.00 0.00 N ATOM 970 CZ ARG A 61 -12.353 8.288 8.431 1.00 0.00 C ATOM 971 NH1 ARG A 61 -13.316 7.375 8.339 1.00 0.00 N ATOM 972 NH2 ARG A 61 -12.268 9.053 9.516 1.00 0.00 N ATOM 0 H ARG A 61 -12.756 5.620 2.135 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.490 5.464 5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.846 7.478 3.531 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.575 7.740 3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.666 9.139 5.205 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.689 7.911 5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.735 6.564 6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.659 7.635 5.680 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.722 9.137 7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.384 6.787 7.508 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.986 7.263 9.099 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.531 9.754 9.589 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.940 8.938 10.275 1.00 0.00 H new ATOM 1022 N LYS A 66 -14.830 5.153 9.461 1.00 0.00 N ATOM 1023 CA LYS A 66 -13.455 4.715 9.608 1.00 0.00 C ATOM 1024 C LYS A 66 -12.918 4.174 8.281 1.00 0.00 C ATOM 1025 O LYS A 66 -13.611 4.106 7.274 1.00 0.00 O ATOM 1026 CB LYS A 66 -13.399 3.610 10.662 1.00 0.00 C ATOM 1027 CG LYS A 66 -13.801 4.127 12.041 1.00 0.00 C ATOM 1028 CD LYS A 66 -12.580 4.453 12.900 1.00 0.00 C ATOM 1029 CE LYS A 66 -11.613 5.401 12.191 1.00 0.00 C ATOM 1030 NZ LYS A 66 -12.211 6.694 11.889 1.00 0.00 N ATOM 0 HA LYS A 66 -12.842 5.563 9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.062 2.795 10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.390 3.200 10.707 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.417 5.020 11.930 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.412 3.379 12.546 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -12.907 4.904 13.837 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.060 3.530 13.155 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.733 5.550 12.817 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.271 4.939 11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.103 6.898 10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.222 6.674 12.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.736 7.434 12.444 1.00 0.00 H new ATOM 1044 N TYR A 67 -11.631 3.789 8.371 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.994 3.201 7.209 1.00 0.00 C ATOM 1046 C TYR A 67 -11.259 1.693 7.189 1.00 0.00 C ATOM 1047 O TYR A 67 -11.278 1.027 8.218 1.00 0.00 O ATOM 1048 CB TYR A 67 -9.485 3.455 7.253 1.00 0.00 C ATOM 1049 CG TYR A 67 -9.167 4.921 7.290 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -9.444 5.694 8.473 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -8.576 5.563 6.145 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -9.131 7.098 8.513 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -8.261 6.967 6.181 1.00 0.00 C ATOM 1054 CZ TYR A 67 -8.539 7.734 7.366 1.00 0.00 C ATOM 1055 OH TYR A 67 -8.239 9.080 7.402 1.00 0.00 O ATOM 0 H TYR A 67 -11.045 3.874 9.202 1.00 0.00 H new ATOM 0 HA TYR A 67 -11.405 3.657 6.308 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.060 2.969 8.131 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -9.015 3.003 6.380 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.889 5.218 9.334 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -8.368 4.988 5.255 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.340 7.674 9.403 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.817 7.444 5.320 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.844 9.350 6.547 1.00 0.00 H new ATOM 1065 N PHE A 68 -11.462 1.209 5.949 1.00 0.00 N ATOM 1066 CA PHE A 68 -11.694 -0.215 5.807 1.00 0.00 C ATOM 1067 C PHE A 68 -11.415 -0.650 4.364 1.00 0.00 C ATOM 1068 O PHE A 68 -11.981 -0.126 3.412 1.00 0.00 O ATOM 1069 CB PHE A 68 -13.139 -0.546 6.191 1.00 0.00 C ATOM 1070 CG PHE A 68 -14.118 0.068 5.234 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -14.540 1.435 5.401 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -14.640 -0.707 4.139 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -15.476 2.023 4.479 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -15.577 -0.123 3.216 1.00 0.00 C ATOM 1075 CZ PHE A 68 -15.994 1.243 3.387 1.00 0.00 C ATOM 0 H PHE A 68 -11.469 1.755 5.087 1.00 0.00 H new ATOM 0 HA PHE A 68 -11.020 -0.756 6.471 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -13.274 -1.628 6.206 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -13.340 -0.185 7.200 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.153 2.021 6.221 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -14.327 -1.732 4.009 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.789 3.049 4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.966 -0.709 2.397 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.697 1.683 2.695 1.00 0.00 H new ATOM 1085 N LEU A 69 -10.516 -1.645 4.273 1.00 0.00 N ATOM 1086 CA LEU A 69 -10.240 -2.193 2.958 1.00 0.00 C ATOM 1087 C LEU A 69 -11.525 -2.798 2.386 1.00 0.00 C ATOM 1088 O LEU A 69 -12.243 -2.176 1.613 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.146 -3.259 3.060 1.00 0.00 C ATOM 1090 CG LEU A 69 -7.823 -2.682 3.563 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -7.247 -3.569 4.664 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -6.816 -2.525 2.425 1.00 0.00 C ATOM 0 H LEU A 69 -10.001 -2.059 5.050 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.891 -1.402 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.474 -4.051 3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.993 -3.715 2.082 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.021 -1.691 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.305 -3.148 5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.952 -3.623 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.073 -4.571 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.886 -2.112 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.620 -3.499 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.222 -1.852 1.670 1.00 0.00 H new ATOM 1104 N TRP A 70 -11.756 -4.053 2.815 1.00 0.00 N ATOM 1105 CA TRP A 70 -12.943 -4.737 2.337 1.00 0.00 C ATOM 1106 C TRP A 70 -13.955 -4.899 3.475 1.00 0.00 C ATOM 1107 O TRP A 70 -15.154 -4.712 3.301 1.00 0.00 O ATOM 1108 CB TRP A 70 -12.572 -6.125 1.807 1.00 0.00 C ATOM 1109 CG TRP A 70 -11.800 -6.015 0.512 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -10.804 -5.080 0.204 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -11.947 -6.858 -0.647 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -10.337 -5.292 -1.054 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -10.993 -6.368 -1.637 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -12.779 -7.964 -0.946 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -10.893 -6.995 -2.902 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -12.681 -8.608 -2.233 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -11.738 -8.123 -3.212 1.00 0.00 C ATOM 0 H TRP A 70 -11.164 -4.580 3.457 1.00 0.00 H new ATOM 0 HA TRP A 70 -13.383 -4.142 1.537 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -11.974 -6.655 2.549 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -13.476 -6.712 1.648 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -10.458 -4.303 0.870 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.608 -4.739 -1.506 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -13.485 -8.324 -0.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -10.187 -6.630 -3.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -13.313 -9.453 -2.464 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -11.665 -8.604 -4.176 1.00 0.00 H new ATOM 1128 N VAL A 71 -13.396 -5.273 4.640 1.00 0.00 N ATOM 1129 CA VAL A 71 -14.280 -5.602 5.742 1.00 0.00 C ATOM 1130 C VAL A 71 -13.749 -5.015 7.052 1.00 0.00 C ATOM 1131 O VAL A 71 -14.181 -3.968 7.517 1.00 0.00 O ATOM 1132 CB VAL A 71 -14.392 -7.125 5.857 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -15.178 -7.532 7.105 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -15.024 -7.718 4.598 1.00 0.00 C ATOM 0 H VAL A 71 -12.396 -5.349 4.826 1.00 0.00 H new ATOM 0 HA VAL A 71 -15.264 -5.174 5.551 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.384 -7.527 5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -15.240 -8.619 7.158 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.672 -7.154 7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.183 -7.114 7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -15.094 -8.801 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -16.022 -7.301 4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.408 -7.475 3.732 1.00 0.00 H new ATOM 1144 N VAL A 72 -12.809 -5.788 7.622 1.00 0.00 N ATOM 1145 CA VAL A 72 -12.341 -5.457 8.953 1.00 0.00 C ATOM 1146 C VAL A 72 -12.025 -3.964 9.055 1.00 0.00 C ATOM 1147 O VAL A 72 -11.394 -3.371 8.188 1.00 0.00 O ATOM 1148 CB VAL A 72 -11.117 -6.309 9.279 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -11.473 -7.792 9.168 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -9.947 -5.958 8.359 1.00 0.00 C ATOM 0 H VAL A 72 -12.381 -6.609 7.194 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.123 -5.673 9.681 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.806 -6.099 10.302 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -10.596 -8.395 9.402 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.273 -8.028 9.870 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -11.804 -8.012 8.153 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.087 -6.578 8.611 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.233 -6.138 7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.686 -4.907 8.487 1.00 0.00 H new ATOM 1160 N LYS A 73 -12.525 -3.404 10.173 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.357 -1.977 10.368 1.00 0.00 C ATOM 1162 C LYS A 73 -11.114 -1.693 11.211 1.00 0.00 C ATOM 1163 O LYS A 73 -10.528 -2.567 11.839 1.00 0.00 O ATOM 1164 CB LYS A 73 -13.594 -1.392 11.048 1.00 0.00 C ATOM 1165 CG LYS A 73 -14.833 -1.540 10.169 1.00 0.00 C ATOM 1166 CD LYS A 73 -16.099 -1.051 10.873 1.00 0.00 C ATOM 1167 CE LYS A 73 -17.338 -1.213 9.992 1.00 0.00 C ATOM 1168 NZ LYS A 73 -18.553 -0.754 10.654 1.00 0.00 N ATOM 0 H LYS A 73 -13.022 -3.899 10.913 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.230 -1.507 9.393 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.760 -1.895 12.001 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.426 -0.338 11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.692 -0.977 9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.955 -2.586 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.237 -1.607 11.800 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.981 -0.002 11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.198 -0.654 9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.451 -2.262 9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.365 -0.884 10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.703 -1.304 11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -18.458 0.254 10.893 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.766 -0.397 11.154 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.552 0.060 11.817 1.00 0.00 C ATOM 1184 C PHE A 74 -9.511 1.587 11.817 1.00 0.00 C ATOM 1185 O PHE A 74 -9.871 2.258 10.857 1.00 0.00 O ATOM 1186 CB PHE A 74 -8.250 -0.502 11.201 1.00 0.00 C ATOM 1187 CG PHE A 74 -8.316 -0.739 9.716 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -8.662 0.333 8.819 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -8.073 -2.055 9.186 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -8.784 0.086 7.406 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -8.202 -2.309 7.778 1.00 0.00 C ATOM 1192 CZ PHE A 74 -8.562 -1.239 6.889 1.00 0.00 C ATOM 0 H PHE A 74 -11.295 0.328 10.669 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.594 -0.325 12.836 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.435 0.191 11.410 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.004 -1.442 11.696 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.831 1.326 9.208 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.792 -2.857 9.852 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.041 0.893 6.736 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.029 -3.301 7.389 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.666 -1.429 5.831 1.00 0.00 H new ATOM 1202 N ASN A 75 -9.046 2.071 12.980 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.876 3.504 13.142 1.00 0.00 C ATOM 1204 C ASN A 75 -7.457 3.979 12.761 1.00 0.00 C ATOM 1205 O ASN A 75 -7.219 5.172 12.615 1.00 0.00 O ATOM 1206 CB ASN A 75 -9.153 3.870 14.600 1.00 0.00 C ATOM 1207 CG ASN A 75 -10.555 3.408 15.003 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -11.018 2.339 14.623 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -11.194 4.293 15.788 1.00 0.00 N ATOM 0 H ASN A 75 -8.792 1.506 13.790 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.576 4.000 12.470 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.409 3.405 15.247 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.064 4.948 14.735 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.140 4.096 16.114 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.733 5.162 16.058 1.00 0.00 H new ATOM 1216 N SER A 76 -6.530 3.007 12.618 1.00 0.00 N ATOM 1217 CA SER A 76 -5.168 3.415 12.338 1.00 0.00 C ATOM 1218 C SER A 76 -4.538 2.463 11.321 1.00 0.00 C ATOM 1219 O SER A 76 -4.577 1.247 11.459 1.00 0.00 O ATOM 1220 CB SER A 76 -4.354 3.419 13.632 1.00 0.00 C ATOM 1221 OG SER A 76 -3.036 3.841 13.388 1.00 0.00 O ATOM 0 H SER A 76 -6.697 2.003 12.689 1.00 0.00 H new ATOM 0 HA SER A 76 -5.173 4.422 11.920 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.824 4.079 14.361 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.347 2.419 14.066 1.00 0.00 H new ATOM 0 HG SER A 76 -2.531 3.839 14.228 1.00 0.00 H new ATOM 1227 N LEU A 77 -3.958 3.108 10.294 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.301 2.314 9.273 1.00 0.00 C ATOM 1229 C LEU A 77 -2.399 1.255 9.916 1.00 0.00 C ATOM 1230 O LEU A 77 -2.329 0.119 9.464 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.473 3.228 8.372 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.345 4.169 7.540 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.480 5.185 6.793 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.212 3.381 6.558 1.00 0.00 C ATOM 0 H LEU A 77 -3.935 4.119 10.161 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.059 1.806 8.677 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.790 3.816 8.985 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.861 2.620 7.706 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.004 4.709 8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.119 5.845 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.910 5.775 7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.794 4.660 6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.824 4.072 5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.572 2.809 5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.859 2.699 7.110 1.00 0.00 H new ATOM 1246 N ASN A 78 -1.722 1.688 10.996 1.00 0.00 N ATOM 1247 CA ASN A 78 -0.858 0.731 11.664 1.00 0.00 C ATOM 1248 C ASN A 78 -1.648 -0.543 11.977 1.00 0.00 C ATOM 1249 O ASN A 78 -1.194 -1.657 11.749 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.319 1.327 12.964 1.00 0.00 C ATOM 1251 CG ASN A 78 0.419 2.638 12.686 1.00 0.00 C ATOM 1252 OD1 ASN A 78 -0.174 3.704 12.580 1.00 0.00 O ATOM 1253 ND2 ASN A 78 1.751 2.480 12.586 1.00 0.00 N ATOM 0 H ASN A 78 -1.756 2.627 11.393 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.021 0.491 11.008 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.141 1.505 13.658 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.355 0.618 13.444 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.348 3.287 12.408 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.164 1.553 12.688 1.00 0.00 H new ATOM 1260 N GLU A 79 -2.862 -0.297 12.506 1.00 0.00 N ATOM 1261 CA GLU A 79 -3.734 -1.427 12.784 1.00 0.00 C ATOM 1262 C GLU A 79 -3.986 -2.263 11.517 1.00 0.00 C ATOM 1263 O GLU A 79 -4.146 -3.476 11.576 1.00 0.00 O ATOM 1264 CB GLU A 79 -5.063 -0.926 13.352 1.00 0.00 C ATOM 1265 CG GLU A 79 -5.992 -2.080 13.729 1.00 0.00 C ATOM 1266 CD GLU A 79 -5.324 -2.958 14.789 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -4.495 -2.445 15.539 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -5.637 -4.146 14.849 1.00 0.00 O ATOM 0 H GLU A 79 -3.236 0.624 12.735 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.241 -2.066 13.516 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.873 -0.310 14.231 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.555 -0.289 12.617 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.936 -1.690 14.109 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.225 -2.674 12.846 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.006 -1.544 10.378 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.202 -2.223 9.115 1.00 0.00 C ATOM 1277 C LEU A 80 -2.938 -3.009 8.761 1.00 0.00 C ATOM 1278 O LEU A 80 -2.898 -4.232 8.809 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.517 -1.174 8.049 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.085 -1.782 6.768 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.845 -0.707 5.993 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -3.989 -2.412 5.906 1.00 0.00 C ATOM 0 H LEU A 80 -3.892 -0.532 10.320 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.031 -2.928 9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.231 -0.456 8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.609 -0.621 7.811 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.772 -2.584 7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.252 -1.137 5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.660 -0.323 6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.166 0.108 5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.433 -2.834 5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.260 -1.650 5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.492 -3.202 6.469 1.00 0.00 H new ATOM 1294 N VAL A 81 -1.911 -2.212 8.417 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.616 -2.809 8.141 1.00 0.00 C ATOM 1296 C VAL A 81 -0.328 -3.978 9.097 1.00 0.00 C ATOM 1297 O VAL A 81 0.284 -4.971 8.724 1.00 0.00 O ATOM 1298 CB VAL A 81 0.464 -1.735 8.284 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.854 -2.309 8.006 1.00 0.00 C ATOM 1300 CG2 VAL A 81 0.171 -0.558 7.353 1.00 0.00 C ATOM 0 H VAL A 81 -1.957 -1.197 8.329 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.618 -3.205 7.125 1.00 0.00 H new ATOM 0 HB VAL A 81 0.451 -1.377 9.313 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.601 -1.523 8.115 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.065 -3.111 8.714 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.888 -2.703 6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.948 0.198 7.466 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.152 -0.907 6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.796 -0.125 7.608 1.00 0.00 H new ATOM 1310 N ASP A 82 -0.801 -3.796 10.346 1.00 0.00 N ATOM 1311 CA ASP A 82 -0.540 -4.818 11.342 1.00 0.00 C ATOM 1312 C ASP A 82 -1.523 -5.983 11.188 1.00 0.00 C ATOM 1313 O ASP A 82 -1.160 -7.149 11.284 1.00 0.00 O ATOM 1314 CB ASP A 82 -0.669 -4.211 12.740 1.00 0.00 C ATOM 1315 CG ASP A 82 -0.347 -5.268 13.798 1.00 0.00 C ATOM 1316 OD1 ASP A 82 0.360 -6.222 13.478 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -0.813 -5.128 14.928 1.00 0.00 O ATOM 0 H ASP A 82 -1.338 -2.989 10.665 1.00 0.00 H new ATOM 0 HA ASP A 82 0.471 -5.199 11.200 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.009 -3.363 12.842 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.680 -3.831 12.889 1.00 0.00 H new ATOM 1322 N TYR A 83 -2.786 -5.587 10.948 1.00 0.00 N ATOM 1323 CA TYR A 83 -3.809 -6.610 10.832 1.00 0.00 C ATOM 1324 C TYR A 83 -3.460 -7.581 9.700 1.00 0.00 C ATOM 1325 O TYR A 83 -3.587 -8.793 9.829 1.00 0.00 O ATOM 1326 CB TYR A 83 -5.167 -5.956 10.568 1.00 0.00 C ATOM 1327 CG TYR A 83 -6.262 -6.980 10.522 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -6.949 -7.361 11.730 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -6.634 -7.590 9.272 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -7.999 -8.344 11.689 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -7.685 -8.573 9.227 1.00 0.00 C ATOM 1332 CZ TYR A 83 -8.367 -8.949 10.437 1.00 0.00 C ATOM 1333 OH TYR A 83 -9.374 -9.892 10.396 1.00 0.00 O ATOM 0 H TYR A 83 -3.099 -4.623 10.838 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.860 -7.170 11.766 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -5.380 -5.226 11.349 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.134 -5.412 9.624 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.675 -6.907 12.671 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.122 -7.309 8.364 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.510 -8.627 12.597 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.961 -9.027 8.287 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.023 -9.708 11.107 1.00 0.00 H new ATOM 1343 N HIS A 84 -3.008 -6.968 8.591 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.633 -7.794 7.458 1.00 0.00 C ATOM 1345 C HIS A 84 -1.154 -8.193 7.544 1.00 0.00 C ATOM 1346 O HIS A 84 -0.442 -8.234 6.548 1.00 0.00 O ATOM 1347 CB HIS A 84 -2.897 -7.035 6.157 1.00 0.00 C ATOM 1348 CG HIS A 84 -4.372 -6.731 6.043 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -5.263 -7.535 5.422 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -5.058 -5.611 6.541 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -6.453 -6.922 5.541 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -6.361 -5.758 6.211 1.00 0.00 N ATOM 0 H HIS A 84 -2.901 -5.961 8.467 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.234 -8.703 7.474 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.322 -6.109 6.140 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -2.570 -7.629 5.304 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -5.072 -8.423 4.959 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -4.625 -4.785 7.086 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.377 -7.318 5.145 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.743 -8.484 8.793 1.00 0.00 N ATOM 1361 CA ARG A 85 0.632 -8.906 8.987 1.00 0.00 C ATOM 1362 C ARG A 85 0.691 -10.407 9.298 1.00 0.00 C ATOM 1363 O ARG A 85 1.556 -11.128 8.816 1.00 0.00 O ATOM 1364 CB ARG A 85 1.253 -8.107 10.132 1.00 0.00 C ATOM 1365 CG ARG A 85 2.714 -8.491 10.369 1.00 0.00 C ATOM 1366 CD ARG A 85 3.331 -7.691 11.515 1.00 0.00 C ATOM 1367 NE ARG A 85 3.289 -6.272 11.214 1.00 0.00 N ATOM 1368 CZ ARG A 85 4.226 -5.756 10.395 1.00 0.00 C ATOM 1369 NH1 ARG A 85 5.171 -6.538 9.879 1.00 0.00 N ATOM 1370 NH2 ARG A 85 4.207 -4.459 10.102 1.00 0.00 N ATOM 0 H ARG A 85 -1.318 -8.435 9.634 1.00 0.00 H new ATOM 0 HA ARG A 85 1.194 -8.722 8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.189 -7.042 9.908 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.681 -8.275 11.044 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.778 -9.556 10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.287 -8.322 9.457 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.790 -7.890 12.440 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.362 -8.006 11.675 1.00 0.00 H new ATOM 0 HE ARG A 85 2.564 -5.677 11.615 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.188 -7.533 10.103 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.878 -6.142 9.259 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.484 -3.857 10.497 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.915 -4.066 9.482 1.00 0.00 H new ATOM 1384 N SER A 86 -0.282 -10.826 10.129 1.00 0.00 N ATOM 1385 CA SER A 86 -0.311 -12.228 10.501 1.00 0.00 C ATOM 1386 C SER A 86 -1.163 -13.028 9.510 1.00 0.00 C ATOM 1387 O SER A 86 -0.819 -14.137 9.119 1.00 0.00 O ATOM 1388 CB SER A 86 -0.873 -12.373 11.915 1.00 0.00 C ATOM 1389 OG SER A 86 -0.096 -11.650 12.835 1.00 0.00 O ATOM 0 H SER A 86 -1.015 -10.241 10.530 1.00 0.00 H new ATOM 0 HA SER A 86 0.705 -12.621 10.476 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.902 -12.016 11.941 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.894 -13.426 12.197 1.00 0.00 H new ATOM 0 HG SER A 86 -0.472 -11.754 13.734 1.00 0.00 H new ATOM 1395 N THR A 87 -2.292 -12.399 9.132 1.00 0.00 N ATOM 1396 CA THR A 87 -3.181 -13.093 8.216 1.00 0.00 C ATOM 1397 C THR A 87 -3.188 -12.415 6.842 1.00 0.00 C ATOM 1398 O THR A 87 -4.216 -12.283 6.191 1.00 0.00 O ATOM 1399 CB THR A 87 -4.590 -13.148 8.810 1.00 0.00 C ATOM 1400 OG1 THR A 87 -4.512 -13.640 10.124 1.00 0.00 O ATOM 1401 CG2 THR A 87 -5.527 -14.046 8.000 1.00 0.00 C ATOM 0 H THR A 87 -2.588 -11.470 9.430 1.00 0.00 H new ATOM 0 HA THR A 87 -2.820 -14.112 8.076 1.00 0.00 H new ATOM 0 HB THR A 87 -4.998 -12.137 8.791 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.411 -13.677 10.513 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.514 -14.052 8.462 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.605 -13.666 6.981 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.130 -15.061 7.979 1.00 0.00 H new ATOM 1409 N SER A 88 -1.963 -12.027 6.442 1.00 0.00 N ATOM 1410 CA SER A 88 -1.792 -11.588 5.074 1.00 0.00 C ATOM 1411 C SER A 88 -2.949 -10.675 4.654 1.00 0.00 C ATOM 1412 O SER A 88 -3.588 -10.024 5.471 1.00 0.00 O ATOM 1413 CB SER A 88 -1.740 -12.832 4.188 1.00 0.00 C ATOM 1414 OG SER A 88 -0.707 -13.691 4.600 1.00 0.00 O ATOM 0 H SER A 88 -1.125 -12.012 7.024 1.00 0.00 H new ATOM 0 HA SER A 88 -0.870 -11.015 4.973 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.695 -13.356 4.231 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.584 -12.539 3.150 1.00 0.00 H new ATOM 0 HG SER A 88 0.071 -13.160 4.872 1.00 0.00 H new ATOM 1420 N VAL A 89 -3.176 -10.688 3.327 1.00 0.00 N ATOM 1421 CA VAL A 89 -4.275 -9.896 2.807 1.00 0.00 C ATOM 1422 C VAL A 89 -4.775 -10.503 1.491 1.00 0.00 C ATOM 1423 O VAL A 89 -5.017 -9.811 0.510 1.00 0.00 O ATOM 1424 CB VAL A 89 -3.817 -8.451 2.598 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -2.714 -8.370 1.542 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -4.994 -7.546 2.230 1.00 0.00 C ATOM 0 H VAL A 89 -2.638 -11.212 2.637 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.097 -9.899 3.523 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.404 -8.095 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.408 -7.332 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.858 -8.963 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.088 -8.757 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.638 -6.526 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.452 -7.902 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.732 -7.564 3.032 1.00 0.00 H new ATOM 1436 N SER A 90 -4.904 -11.843 1.540 1.00 0.00 N ATOM 1437 CA SER A 90 -5.371 -12.534 0.353 1.00 0.00 C ATOM 1438 C SER A 90 -5.433 -14.038 0.622 1.00 0.00 C ATOM 1439 O SER A 90 -4.458 -14.668 1.013 1.00 0.00 O ATOM 1440 CB SER A 90 -4.432 -12.253 -0.820 1.00 0.00 C ATOM 1441 OG SER A 90 -4.886 -12.898 -1.983 1.00 0.00 O ATOM 0 H SER A 90 -4.701 -12.431 2.348 1.00 0.00 H new ATOM 0 HA SER A 90 -6.368 -12.174 0.100 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.370 -11.179 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.426 -12.595 -0.577 1.00 0.00 H new ATOM 0 HG SER A 90 -4.176 -12.891 -2.659 1.00 0.00 H new ATOM 1502 N GLN A 94 -0.468 -16.672 0.668 1.00 0.00 N ATOM 1503 CA GLN A 94 -0.017 -16.014 1.878 1.00 0.00 C ATOM 1504 C GLN A 94 0.799 -14.768 1.524 1.00 0.00 C ATOM 1505 O GLN A 94 1.823 -14.829 0.855 1.00 0.00 O ATOM 1506 CB GLN A 94 0.816 -16.991 2.704 1.00 0.00 C ATOM 1507 CG GLN A 94 2.072 -17.446 1.959 1.00 0.00 C ATOM 1508 CD GLN A 94 2.859 -18.434 2.823 1.00 0.00 C ATOM 1509 OE1 GLN A 94 2.510 -19.601 2.953 1.00 0.00 O ATOM 1510 NE2 GLN A 94 3.946 -17.883 3.393 1.00 0.00 N ATOM 0 HA GLN A 94 -0.878 -15.700 2.467 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.103 -16.518 3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.210 -17.861 2.957 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.796 -17.915 1.015 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.694 -16.584 1.717 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.164 -16.900 3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.552 -18.449 3.987 1.00 0.00 H new ATOM 1519 N ILE A 95 0.264 -13.640 2.024 1.00 0.00 N ATOM 1520 CA ILE A 95 0.936 -12.380 1.773 1.00 0.00 C ATOM 1521 C ILE A 95 1.418 -11.787 3.099 1.00 0.00 C ATOM 1522 O ILE A 95 0.845 -12.020 4.156 1.00 0.00 O ATOM 1523 CB ILE A 95 -0.025 -11.409 1.084 1.00 0.00 C ATOM 1524 CG1 ILE A 95 -0.561 -12.005 -0.218 1.00 0.00 C ATOM 1525 CG2 ILE A 95 0.659 -10.068 0.820 1.00 0.00 C ATOM 1526 CD1 ILE A 95 -1.562 -11.070 -0.897 1.00 0.00 C ATOM 0 H ILE A 95 -0.591 -13.585 2.577 1.00 0.00 H new ATOM 0 HA ILE A 95 1.794 -12.549 1.122 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.869 -11.238 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.269 -12.204 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.040 -12.962 -0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.042 -9.392 0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.982 -9.632 1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.525 -10.222 0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.920 -11.528 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.405 -10.892 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.076 -10.122 -1.128 1.00 0.00 H new ATOM 1538 N PHE A 96 2.509 -11.012 2.969 1.00 0.00 N ATOM 1539 CA PHE A 96 3.030 -10.382 4.167 1.00 0.00 C ATOM 1540 C PHE A 96 3.560 -8.989 3.818 1.00 0.00 C ATOM 1541 O PHE A 96 4.186 -8.778 2.786 1.00 0.00 O ATOM 1542 CB PHE A 96 4.133 -11.253 4.772 1.00 0.00 C ATOM 1543 CG PHE A 96 4.468 -10.825 6.170 1.00 0.00 C ATOM 1544 CD1 PHE A 96 5.084 -9.546 6.418 1.00 0.00 C ATOM 1545 CD2 PHE A 96 4.171 -11.695 7.280 1.00 0.00 C ATOM 1546 CE1 PHE A 96 5.398 -9.139 7.762 1.00 0.00 C ATOM 1547 CE2 PHE A 96 4.486 -11.292 8.625 1.00 0.00 C ATOM 1548 CZ PHE A 96 5.099 -10.013 8.865 1.00 0.00 C ATOM 0 H PHE A 96 3.011 -10.822 2.102 1.00 0.00 H new ATOM 0 HA PHE A 96 2.236 -10.277 4.906 1.00 0.00 H new ATOM 0 HB2 PHE A 96 3.814 -12.295 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.026 -11.196 4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.311 -8.890 5.591 1.00 0.00 H new ATOM 0 HD2 PHE A 96 3.709 -12.655 7.101 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.858 -8.179 7.943 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.263 -11.949 9.453 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.335 -9.709 9.874 1.00 0.00 H new ATOM 1558 N LEU A 97 3.252 -8.055 4.736 1.00 0.00 N ATOM 1559 CA LEU A 97 3.647 -6.686 4.465 1.00 0.00 C ATOM 1560 C LEU A 97 5.048 -6.425 5.024 1.00 0.00 C ATOM 1561 O LEU A 97 5.300 -6.518 6.220 1.00 0.00 O ATOM 1562 CB LEU A 97 2.639 -5.724 5.096 1.00 0.00 C ATOM 1563 CG LEU A 97 1.228 -5.935 4.547 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.226 -5.038 5.275 1.00 0.00 C ATOM 1565 CD2 LEU A 97 1.187 -5.677 3.041 1.00 0.00 C ATOM 0 H LEU A 97 2.761 -8.218 5.615 1.00 0.00 H new ATOM 0 HA LEU A 97 3.665 -6.525 3.387 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.632 -5.863 6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.951 -4.697 4.909 1.00 0.00 H new ATOM 0 HG LEU A 97 0.948 -6.974 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.772 -5.203 4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.230 -5.277 6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.505 -3.994 5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.173 -5.833 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.492 -4.650 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.866 -6.363 2.536 1.00 0.00 H new ATOM 1577 N ARG A 98 5.931 -6.092 4.066 1.00 0.00 N ATOM 1578 CA ARG A 98 7.304 -5.811 4.444 1.00 0.00 C ATOM 1579 C ARG A 98 7.721 -4.439 3.908 1.00 0.00 C ATOM 1580 O ARG A 98 7.255 -3.969 2.875 1.00 0.00 O ATOM 1581 CB ARG A 98 8.235 -6.889 3.883 1.00 0.00 C ATOM 1582 CG ARG A 98 7.894 -8.297 4.377 1.00 0.00 C ATOM 1583 CD ARG A 98 8.457 -8.592 5.771 1.00 0.00 C ATOM 1584 NE ARG A 98 7.858 -7.723 6.765 1.00 0.00 N ATOM 1585 CZ ARG A 98 8.451 -7.610 7.969 1.00 0.00 C ATOM 1586 NH1 ARG A 98 9.566 -8.286 8.234 1.00 0.00 N ATOM 1587 NH2 ARG A 98 7.920 -6.819 8.897 1.00 0.00 N ATOM 0 H ARG A 98 5.722 -6.016 3.071 1.00 0.00 H new ATOM 0 HA ARG A 98 7.377 -5.809 5.532 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.186 -6.871 2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.262 -6.653 4.160 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.811 -8.418 4.395 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.285 -9.029 3.670 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.268 -9.633 6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.538 -8.456 5.767 1.00 0.00 H new ATOM 0 HE ARG A 98 7.003 -7.207 6.556 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.975 -8.893 7.524 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.011 -8.197 9.147 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.065 -6.300 8.696 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.367 -6.732 9.810 1.00 0.00 H new ATOM 1601 N ASP A 99 8.629 -3.839 4.700 1.00 0.00 N ATOM 1602 CA ASP A 99 9.134 -2.534 4.324 1.00 0.00 C ATOM 1603 C ASP A 99 9.685 -2.582 2.898 1.00 0.00 C ATOM 1604 O ASP A 99 10.552 -3.379 2.561 1.00 0.00 O ATOM 1605 CB ASP A 99 10.233 -2.107 5.298 1.00 0.00 C ATOM 1606 CG ASP A 99 9.678 -2.067 6.723 1.00 0.00 C ATOM 1607 OD1 ASP A 99 9.671 -3.108 7.379 1.00 0.00 O ATOM 1608 OD2 ASP A 99 9.265 -0.995 7.162 1.00 0.00 O ATOM 0 H ASP A 99 9.006 -4.227 5.565 1.00 0.00 H new ATOM 0 HA ASP A 99 8.322 -1.808 4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.070 -2.803 5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.616 -1.125 5.020 1.00 0.00 H new ATOM 1613 N ILE A 100 9.113 -1.670 2.094 1.00 0.00 N ATOM 1614 CA ILE A 100 9.529 -1.586 0.706 1.00 0.00 C ATOM 1615 C ILE A 100 10.938 -0.981 0.573 1.00 0.00 C ATOM 1616 O ILE A 100 11.250 -0.296 -0.394 1.00 0.00 O ATOM 1617 CB ILE A 100 8.517 -0.703 -0.015 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.660 -0.786 -1.533 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.662 0.734 0.477 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.647 0.112 -2.235 1.00 0.00 C ATOM 0 H ILE A 100 8.390 -1.009 2.377 1.00 0.00 H new ATOM 0 HA ILE A 100 9.567 -2.585 0.272 1.00 0.00 H new ATOM 0 HB ILE A 100 7.516 -1.065 0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.670 -0.494 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.521 -1.817 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.940 1.369 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.479 0.771 1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.671 1.090 0.268 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.775 0.030 -3.314 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.637 -0.198 -1.965 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.804 1.146 -1.928 1.00 0.00 H new ATOM 1632 N GLU A 101 11.759 -1.251 1.604 1.00 0.00 N ATOM 1633 CA GLU A 101 13.069 -0.635 1.609 1.00 0.00 C ATOM 1634 C GLU A 101 14.063 -1.545 2.335 1.00 0.00 C ATOM 1635 O GLU A 101 13.915 -1.864 3.508 1.00 0.00 O ATOM 1636 CB GLU A 101 12.962 0.727 2.290 1.00 0.00 C ATOM 1637 CG GLU A 101 12.425 1.799 1.341 1.00 0.00 C ATOM 1638 CD GLU A 101 13.368 1.956 0.147 1.00 0.00 C ATOM 1639 OE1 GLU A 101 14.543 1.618 0.278 1.00 0.00 O ATOM 1640 OE2 GLU A 101 12.915 2.410 -0.903 1.00 0.00 O ATOM 0 H GLU A 101 11.544 -1.858 2.395 1.00 0.00 H new ATOM 0 HA GLU A 101 13.431 -0.493 0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.306 0.649 3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.943 1.027 2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.428 1.525 0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.329 2.749 1.868 1.00 0.00 H new