USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 613 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 34 CYS SG : rot 60:sc= 0.545 USER MOD Set 1.2: A 69 MET CE :methyl -168:sc= -0.0725 (180deg=-0.71) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.386 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.184 X(o=0.18,f=-0.019) USER MOD Single : A 29 ASN : amide:sc= 0.534 K(o=0.53,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 0.128 K(o=0.13,f=-0.65) USER MOD Single : A 44 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.19) USER MOD Single : A 63 SER OG : rot 180:sc=-0.00201 USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= -0.0111 (180deg=-0.158) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= -0.0075 (180deg=-0.153) USER MOD Single : A 73 LYS NZ :NH3+ -131:sc= 1.21 (180deg=0.444) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 161:sc= -1.58 (180deg=-2.13!) USER MOD Single : A 80 HIS : no HD1:sc= -0.498 X(o=-0.5,f=-0.5) USER MOD Single : A 82 TYR OH : rot -73:sc= 0.105 USER MOD Single : A 87 LYS NZ :NH3+ -158:sc= -0.0729 (180deg=-0.473) USER MOD Single : A 88 SER OG : rot 180:sc= -0.091 USER MOD Single : A 89 HIS : no HD1:sc= -0.357 K(o=-0.36,f=-1.2) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 136:sc= -0.296 (180deg=-1.68) USER MOD Single : A 98 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0262) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -12.055 -4.315 1.316 1.00 0.00 N ATOM 127 CA PHE A 11 -12.341 -3.173 0.459 1.00 0.00 C ATOM 128 C PHE A 11 -11.192 -2.182 0.601 1.00 0.00 C ATOM 129 O PHE A 11 -11.362 -0.981 0.412 1.00 0.00 O ATOM 130 CB PHE A 11 -13.691 -2.520 0.762 1.00 0.00 C ATOM 131 CG PHE A 11 -14.926 -3.398 0.860 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.881 -4.790 0.683 1.00 0.00 C ATOM 133 CD2 PHE A 11 -16.155 -2.784 1.145 1.00 0.00 C ATOM 134 CE1 PHE A 11 -16.044 -5.558 0.830 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.322 -3.548 1.271 1.00 0.00 C ATOM 136 CZ PHE A 11 -17.266 -4.939 1.120 1.00 0.00 C ATOM 0 HA PHE A 11 -12.421 -3.516 -0.572 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.593 -1.983 1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.877 -1.775 -0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.947 -5.271 0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.202 -1.712 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.998 -6.631 0.719 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.264 -3.065 1.484 1.00 0.00 H new ATOM 0 HZ PHE A 11 -18.162 -5.532 1.227 1.00 0.00 H new ATOM 146 N VAL A 12 -10.015 -2.710 0.940 1.00 0.00 N ATOM 147 CA VAL A 12 -8.785 -1.956 1.092 1.00 0.00 C ATOM 148 C VAL A 12 -7.654 -2.853 0.611 1.00 0.00 C ATOM 149 O VAL A 12 -7.745 -4.076 0.718 1.00 0.00 O ATOM 150 CB VAL A 12 -8.552 -1.600 2.568 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.384 -0.622 2.722 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.789 -0.975 3.209 1.00 0.00 C ATOM 0 H VAL A 12 -9.895 -3.707 1.121 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.835 -1.029 0.521 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.323 -2.538 3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.242 -0.388 3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.475 -1.075 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.602 0.294 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.579 -0.739 4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.052 -0.061 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.621 -1.678 3.156 1.00 0.00 H new ATOM 162 N VAL A 13 -6.588 -2.254 0.084 1.00 0.00 N ATOM 163 CA VAL A 13 -5.394 -3.006 -0.268 1.00 0.00 C ATOM 164 C VAL A 13 -4.150 -2.298 0.227 1.00 0.00 C ATOM 165 O VAL A 13 -4.193 -1.178 0.732 1.00 0.00 O ATOM 166 CB VAL A 13 -5.272 -3.258 -1.771 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.327 -4.266 -2.221 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.402 -1.967 -2.576 1.00 0.00 C ATOM 0 H VAL A 13 -6.530 -1.254 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.489 -3.975 0.222 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.278 -3.665 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.232 -4.438 -3.293 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.183 -5.206 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.321 -3.874 -2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.310 -2.190 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.375 -1.515 -2.383 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.615 -1.273 -2.281 1.00 0.00 H new ATOM 178 N LYS A 14 -3.035 -3.000 0.060 1.00 0.00 N ATOM 179 CA LYS A 14 -1.730 -2.585 0.496 1.00 0.00 C ATOM 180 C LYS A 14 -0.821 -2.576 -0.726 1.00 0.00 C ATOM 181 O LYS A 14 -0.907 -3.469 -1.566 1.00 0.00 O ATOM 182 CB LYS A 14 -1.326 -3.607 1.550 1.00 0.00 C ATOM 183 CG LYS A 14 0.010 -3.225 2.158 1.00 0.00 C ATOM 184 CD LYS A 14 0.432 -4.163 3.301 1.00 0.00 C ATOM 185 CE LYS A 14 -0.748 -4.943 3.894 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.318 -5.773 5.036 1.00 0.00 N ATOM 0 H LYS A 14 -3.028 -3.909 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.682 -1.586 0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.087 -3.659 2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.260 -4.598 1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.775 -3.238 1.382 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.045 -2.203 2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.178 -4.867 2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.908 -3.578 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.522 -4.247 4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.191 -5.577 3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.136 -6.289 5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.403 -6.452 4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.082 -5.163 5.777 1.00 0.00 H new ATOM 200 N LEU A 15 0.046 -1.567 -0.822 1.00 0.00 N ATOM 201 CA LEU A 15 0.824 -1.304 -2.020 1.00 0.00 C ATOM 202 C LEU A 15 2.316 -1.278 -1.694 1.00 0.00 C ATOM 203 O LEU A 15 2.720 -0.823 -0.625 1.00 0.00 O ATOM 204 CB LEU A 15 0.354 0.055 -2.548 1.00 0.00 C ATOM 205 CG LEU A 15 0.366 0.247 -4.067 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.723 -0.044 -4.702 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.691 -0.629 -4.735 1.00 0.00 C ATOM 0 H LEU A 15 0.225 -0.909 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 15 0.679 -2.084 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.662 0.225 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.981 0.828 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 15 0.142 1.301 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.661 0.111 -5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.473 0.626 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.005 -1.077 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.663 -0.475 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.489 -1.677 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.677 -0.362 -4.356 1.00 0.00 H new ATOM 219 N ARG A 16 3.132 -1.771 -2.628 1.00 0.00 N ATOM 220 CA ARG A 16 4.580 -1.827 -2.505 1.00 0.00 C ATOM 221 C ARG A 16 5.164 -1.755 -3.914 1.00 0.00 C ATOM 222 O ARG A 16 5.319 -2.778 -4.573 1.00 0.00 O ATOM 223 CB ARG A 16 4.948 -3.140 -1.797 1.00 0.00 C ATOM 224 CG ARG A 16 6.346 -3.192 -1.166 1.00 0.00 C ATOM 225 CD ARG A 16 7.497 -2.899 -2.129 1.00 0.00 C ATOM 226 NE ARG A 16 7.684 -1.457 -2.311 1.00 0.00 N ATOM 227 CZ ARG A 16 8.319 -0.896 -3.343 1.00 0.00 C ATOM 228 NH1 ARG A 16 8.912 -1.638 -4.273 1.00 0.00 N ATOM 229 NH2 ARG A 16 8.359 0.429 -3.438 1.00 0.00 N ATOM 0 H ARG A 16 2.790 -2.150 -3.511 1.00 0.00 H new ATOM 0 HA ARG A 16 4.981 -1.001 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.211 -3.328 -1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.865 -3.954 -2.517 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.386 -2.475 -0.346 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.497 -4.181 -0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.416 -3.342 -1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.296 -3.366 -3.093 1.00 0.00 H new ATOM 0 HE ARG A 16 7.301 -0.837 -1.597 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.887 -2.655 -4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.392 -1.190 -5.054 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.908 1.005 -2.727 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.841 0.870 -4.221 1.00 0.00 H new ATOM 243 N GLY A 17 5.498 -0.564 -4.409 1.00 0.00 N ATOM 244 CA GLY A 17 6.017 -0.477 -5.765 1.00 0.00 C ATOM 245 C GLY A 17 6.761 0.818 -6.056 1.00 0.00 C ATOM 246 O GLY A 17 6.675 1.786 -5.302 1.00 0.00 O ATOM 0 H GLY A 17 5.421 0.322 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.687 -1.318 -5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.190 -0.576 -6.468 1.00 0.00 H new ATOM 250 N LEU A 18 7.493 0.796 -7.175 1.00 0.00 N ATOM 251 CA LEU A 18 8.283 1.902 -7.696 1.00 0.00 C ATOM 252 C LEU A 18 9.508 2.208 -6.827 1.00 0.00 C ATOM 253 O LEU A 18 9.578 1.753 -5.684 1.00 0.00 O ATOM 254 CB LEU A 18 7.383 3.129 -7.900 1.00 0.00 C ATOM 255 CG LEU A 18 6.153 2.807 -8.757 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.489 4.115 -9.179 1.00 0.00 C ATOM 257 CD2 LEU A 18 6.547 2.016 -10.001 1.00 0.00 C ATOM 0 H LEU A 18 7.549 -0.034 -7.765 1.00 0.00 H new ATOM 0 HA LEU A 18 8.687 1.609 -8.665 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.059 3.506 -6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.957 3.924 -8.375 1.00 0.00 H new ATOM 0 HG LEU A 18 5.463 2.202 -8.169 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.612 3.898 -9.789 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.185 4.671 -8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.195 4.711 -9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.657 1.800 -10.592 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.246 2.602 -10.598 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.020 1.080 -9.703 1.00 0.00 H new ATOM 269 N PRO A 19 10.466 2.978 -7.375 1.00 0.00 N ATOM 270 CA PRO A 19 11.641 3.522 -6.700 1.00 0.00 C ATOM 271 C PRO A 19 11.371 4.201 -5.359 1.00 0.00 C ATOM 272 O PRO A 19 10.291 4.093 -4.781 1.00 0.00 O ATOM 273 CB PRO A 19 12.262 4.507 -7.693 1.00 0.00 C ATOM 274 CG PRO A 19 11.888 3.905 -9.040 1.00 0.00 C ATOM 275 CD PRO A 19 10.479 3.387 -8.769 1.00 0.00 C ATOM 0 HA PRO A 19 12.303 2.699 -6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.858 5.512 -7.573 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.342 4.581 -7.568 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.904 4.647 -9.838 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.568 3.106 -9.334 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.735 4.162 -8.956 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.238 2.550 -9.424 1.00 0.00 H new ATOM 283 N TRP A 20 12.387 4.914 -4.866 1.00 0.00 N ATOM 284 CA TRP A 20 12.374 5.568 -3.568 1.00 0.00 C ATOM 285 C TRP A 20 11.253 6.603 -3.399 1.00 0.00 C ATOM 286 O TRP A 20 11.168 7.226 -2.343 1.00 0.00 O ATOM 287 CB TRP A 20 13.724 6.257 -3.352 1.00 0.00 C ATOM 288 CG TRP A 20 14.959 5.486 -3.707 1.00 0.00 C ATOM 289 CD1 TRP A 20 15.996 5.990 -4.411 1.00 0.00 C ATOM 290 CD2 TRP A 20 15.332 4.105 -3.397 1.00 0.00 C ATOM 291 NE1 TRP A 20 16.986 5.041 -4.537 1.00 0.00 N ATOM 292 CE2 TRP A 20 16.645 3.867 -3.900 1.00 0.00 C ATOM 293 CE3 TRP A 20 14.713 3.031 -2.727 1.00 0.00 C ATOM 294 CZ2 TRP A 20 17.316 2.655 -3.703 1.00 0.00 C ATOM 295 CZ3 TRP A 20 15.389 1.822 -2.516 1.00 0.00 C ATOM 296 CH2 TRP A 20 16.686 1.635 -2.994 1.00 0.00 C ATOM 0 H TRP A 20 13.260 5.052 -5.376 1.00 0.00 H new ATOM 0 HA TRP A 20 12.189 4.790 -2.827 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.726 7.181 -3.930 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.794 6.539 -2.301 1.00 0.00 H new ATOM 0 HD1 TRP A 20 16.042 6.990 -4.816 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.862 5.188 -5.039 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.700 3.142 -2.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 18.312 2.512 -4.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 14.900 1.025 -1.976 1.00 0.00 H new ATOM 0 HH2 TRP A 20 17.200 0.702 -2.815 1.00 0.00 H new ATOM 307 N SER A 21 10.397 6.800 -4.409 1.00 0.00 N ATOM 308 CA SER A 21 9.320 7.779 -4.348 1.00 0.00 C ATOM 309 C SER A 21 8.134 7.350 -5.215 1.00 0.00 C ATOM 310 O SER A 21 8.280 6.524 -6.116 1.00 0.00 O ATOM 311 CB SER A 21 9.857 9.132 -4.819 1.00 0.00 C ATOM 312 OG SER A 21 8.884 10.138 -4.637 1.00 0.00 O ATOM 0 H SER A 21 10.436 6.283 -5.287 1.00 0.00 H new ATOM 0 HA SER A 21 8.966 7.855 -3.320 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.760 9.386 -4.263 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.136 9.073 -5.871 1.00 0.00 H new ATOM 0 HG SER A 21 9.242 10.998 -4.941 1.00 0.00 H new ATOM 318 N CYS A 22 6.956 7.918 -4.932 1.00 0.00 N ATOM 319 CA CYS A 22 5.717 7.627 -5.640 1.00 0.00 C ATOM 320 C CYS A 22 4.733 8.785 -5.433 1.00 0.00 C ATOM 321 O CYS A 22 4.993 9.679 -4.626 1.00 0.00 O ATOM 322 CB CYS A 22 5.144 6.318 -5.088 1.00 0.00 C ATOM 323 SG CYS A 22 3.746 5.760 -6.096 1.00 0.00 S ATOM 0 H CYS A 22 6.842 8.606 -4.188 1.00 0.00 H new ATOM 0 HA CYS A 22 5.897 7.518 -6.710 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.919 5.552 -5.076 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.821 6.462 -4.057 1.00 0.00 H new ATOM 0 HG CYS A 22 3.278 4.648 -5.611 1.00 0.00 H new ATOM 329 N SER A 23 3.606 8.775 -6.154 1.00 0.00 N ATOM 330 CA SER A 23 2.583 9.810 -6.046 1.00 0.00 C ATOM 331 C SER A 23 1.192 9.196 -6.181 1.00 0.00 C ATOM 332 O SER A 23 1.039 8.088 -6.698 1.00 0.00 O ATOM 333 CB SER A 23 2.786 10.869 -7.133 1.00 0.00 C ATOM 334 OG SER A 23 4.067 11.454 -7.020 1.00 0.00 O ATOM 0 H SER A 23 3.381 8.045 -6.830 1.00 0.00 H new ATOM 0 HA SER A 23 2.670 10.281 -5.067 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.673 10.415 -8.117 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.019 11.639 -7.047 1.00 0.00 H new ATOM 0 HG SER A 23 4.182 12.128 -7.723 1.00 0.00 H new ATOM 340 N VAL A 24 0.168 9.918 -5.713 1.00 0.00 N ATOM 341 CA VAL A 24 -1.194 9.399 -5.672 1.00 0.00 C ATOM 342 C VAL A 24 -1.789 9.223 -7.068 1.00 0.00 C ATOM 343 O VAL A 24 -2.788 8.525 -7.223 1.00 0.00 O ATOM 344 CB VAL A 24 -2.103 10.275 -4.792 1.00 0.00 C ATOM 345 CG1 VAL A 24 -1.308 11.170 -3.844 1.00 0.00 C ATOM 346 CG2 VAL A 24 -3.058 11.162 -5.582 1.00 0.00 C ATOM 0 H VAL A 24 0.263 10.869 -5.356 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.138 8.409 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.689 9.551 -4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.996 11.768 -3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.698 10.552 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.663 11.831 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.665 11.749 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.486 11.833 -6.222 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.708 10.540 -6.197 1.00 0.00 H new ATOM 356 N GLU A 25 -1.188 9.846 -8.087 1.00 0.00 N ATOM 357 CA GLU A 25 -1.697 9.756 -9.445 1.00 0.00 C ATOM 358 C GLU A 25 -1.209 8.491 -10.145 1.00 0.00 C ATOM 359 O GLU A 25 -1.878 7.996 -11.049 1.00 0.00 O ATOM 360 CB GLU A 25 -1.244 10.980 -10.238 1.00 0.00 C ATOM 361 CG GLU A 25 -1.765 12.265 -9.594 1.00 0.00 C ATOM 362 CD GLU A 25 -1.428 13.481 -10.454 1.00 0.00 C ATOM 363 OE1 GLU A 25 -0.316 14.027 -10.274 1.00 0.00 O ATOM 364 OE2 GLU A 25 -2.283 13.858 -11.287 1.00 0.00 O ATOM 0 H GLU A 25 -0.348 10.417 -7.989 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.785 9.717 -9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.155 11.006 -10.285 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.606 10.909 -11.264 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.845 12.197 -9.460 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.327 12.383 -8.603 1.00 0.00 H new ATOM 371 N ASP A 26 -0.053 7.959 -9.737 1.00 0.00 N ATOM 372 CA ASP A 26 0.470 6.741 -10.337 1.00 0.00 C ATOM 373 C ASP A 26 -0.238 5.531 -9.739 1.00 0.00 C ATOM 374 O ASP A 26 -0.544 4.577 -10.451 1.00 0.00 O ATOM 375 CB ASP A 26 1.975 6.647 -10.079 1.00 0.00 C ATOM 376 CG ASP A 26 2.724 7.796 -10.750 1.00 0.00 C ATOM 377 OD1 ASP A 26 2.784 7.792 -12.000 1.00 0.00 O ATOM 378 OD2 ASP A 26 3.229 8.667 -10.008 1.00 0.00 O ATOM 0 H ASP A 26 0.530 8.353 -8.999 1.00 0.00 H new ATOM 0 HA ASP A 26 0.293 6.761 -11.412 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.164 6.664 -9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.352 5.696 -10.454 1.00 0.00 H new ATOM 383 N VAL A 27 -0.502 5.561 -8.431 1.00 0.00 N ATOM 384 CA VAL A 27 -1.183 4.459 -7.773 1.00 0.00 C ATOM 385 C VAL A 27 -2.629 4.351 -8.257 1.00 0.00 C ATOM 386 O VAL A 27 -3.116 3.242 -8.451 1.00 0.00 O ATOM 387 CB VAL A 27 -1.074 4.628 -6.254 1.00 0.00 C ATOM 388 CG1 VAL A 27 -1.812 5.870 -5.767 1.00 0.00 C ATOM 389 CG2 VAL A 27 -1.621 3.411 -5.515 1.00 0.00 C ATOM 0 H VAL A 27 -0.254 6.335 -7.815 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.703 3.516 -8.035 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.012 4.737 -6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.710 5.953 -4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.387 6.755 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.868 5.791 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.528 3.566 -4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.671 3.271 -5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.056 2.525 -5.804 1.00 0.00 H new ATOM 399 N GLN A 28 -3.335 5.468 -8.463 1.00 0.00 N ATOM 400 CA GLN A 28 -4.704 5.385 -8.957 1.00 0.00 C ATOM 401 C GLN A 28 -4.744 4.954 -10.423 1.00 0.00 C ATOM 402 O GLN A 28 -5.736 4.378 -10.866 1.00 0.00 O ATOM 403 CB GLN A 28 -5.434 6.710 -8.745 1.00 0.00 C ATOM 404 CG GLN A 28 -4.840 7.853 -9.564 1.00 0.00 C ATOM 405 CD GLN A 28 -5.551 9.161 -9.240 1.00 0.00 C ATOM 406 OE1 GLN A 28 -6.293 9.695 -10.059 1.00 0.00 O ATOM 407 NE2 GLN A 28 -5.326 9.684 -8.038 1.00 0.00 N ATOM 0 H GLN A 28 -2.989 6.414 -8.299 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.223 4.618 -8.382 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.484 6.587 -9.010 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.401 6.972 -7.687 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.775 7.947 -9.350 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.934 7.634 -10.628 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.702 9.210 -7.384 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.777 10.559 -7.770 1.00 0.00 H new ATOM 416 N ASN A 29 -3.675 5.225 -11.179 1.00 0.00 N ATOM 417 CA ASN A 29 -3.556 4.741 -12.547 1.00 0.00 C ATOM 418 C ASN A 29 -3.339 3.225 -12.569 1.00 0.00 C ATOM 419 O ASN A 29 -3.643 2.569 -13.564 1.00 0.00 O ATOM 420 CB ASN A 29 -2.396 5.481 -13.228 1.00 0.00 C ATOM 421 CG ASN A 29 -1.420 4.545 -13.931 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.514 4.319 -15.134 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.476 3.996 -13.171 1.00 0.00 N ATOM 0 H ASN A 29 -2.880 5.779 -10.860 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.479 4.939 -13.092 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.800 6.187 -13.954 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.857 6.064 -12.482 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.206 3.360 -13.585 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.434 4.211 -12.175 1.00 0.00 H new ATOM 430 N PHE A 30 -2.814 2.667 -11.474 1.00 0.00 N ATOM 431 CA PHE A 30 -2.472 1.256 -11.395 1.00 0.00 C ATOM 432 C PHE A 30 -3.646 0.399 -10.922 1.00 0.00 C ATOM 433 O PHE A 30 -3.790 -0.735 -11.378 1.00 0.00 O ATOM 434 CB PHE A 30 -1.274 1.133 -10.457 1.00 0.00 C ATOM 435 CG PHE A 30 -0.960 -0.270 -10.006 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.313 -1.170 -10.863 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.322 -0.668 -8.713 1.00 0.00 C ATOM 438 CE1 PHE A 30 -0.022 -2.467 -10.418 1.00 0.00 C ATOM 439 CE2 PHE A 30 -1.046 -1.965 -8.276 1.00 0.00 C ATOM 440 CZ PHE A 30 -0.384 -2.862 -9.122 1.00 0.00 C ATOM 0 H PHE A 30 -2.616 3.188 -10.619 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.223 0.880 -12.387 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.396 1.543 -10.957 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.456 1.749 -9.577 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.040 -0.866 -11.863 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.816 0.030 -8.053 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.481 -3.162 -11.073 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.343 -2.276 -7.285 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.152 -3.859 -8.777 1.00 0.00 H new ATOM 450 N LEU A 31 -4.491 0.911 -10.020 1.00 0.00 N ATOM 451 CA LEU A 31 -5.706 0.204 -9.624 1.00 0.00 C ATOM 452 C LEU A 31 -6.813 0.505 -10.637 1.00 0.00 C ATOM 453 O LEU A 31 -7.897 0.954 -10.269 1.00 0.00 O ATOM 454 CB LEU A 31 -6.152 0.549 -8.195 1.00 0.00 C ATOM 455 CG LEU A 31 -5.251 0.027 -7.068 1.00 0.00 C ATOM 456 CD1 LEU A 31 -4.684 -1.359 -7.369 1.00 0.00 C ATOM 457 CD2 LEU A 31 -4.111 0.994 -6.801 1.00 0.00 C ATOM 0 H LEU A 31 -4.354 1.808 -9.555 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.492 -0.865 -9.621 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.219 1.633 -8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.157 0.154 -8.043 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.879 -0.055 -6.181 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.054 -1.682 -6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.503 -2.067 -7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.090 -1.319 -8.282 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.484 0.605 -5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.513 1.110 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.516 1.962 -6.508 1.00 0.00 H new ATOM 469 N SER A 32 -6.544 0.259 -11.921 1.00 0.00 N ATOM 470 CA SER A 32 -7.524 0.461 -12.974 1.00 0.00 C ATOM 471 C SER A 32 -8.789 -0.349 -12.690 1.00 0.00 C ATOM 472 O SER A 32 -8.745 -1.370 -12.004 1.00 0.00 O ATOM 473 CB SER A 32 -6.912 0.069 -14.319 1.00 0.00 C ATOM 474 OG SER A 32 -7.797 0.403 -15.368 1.00 0.00 O ATOM 0 H SER A 32 -5.643 -0.084 -12.252 1.00 0.00 H new ATOM 0 HA SER A 32 -7.805 1.513 -13.009 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.960 0.582 -14.458 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.703 -1.001 -14.335 1.00 0.00 H new ATOM 0 HG SER A 32 -7.397 0.150 -16.226 1.00 0.00 H new ATOM 480 N ASP A 33 -9.912 0.130 -13.232 1.00 0.00 N ATOM 481 CA ASP A 33 -11.259 -0.402 -13.050 1.00 0.00 C ATOM 482 C ASP A 33 -11.731 -0.427 -11.591 1.00 0.00 C ATOM 483 O ASP A 33 -12.898 -0.716 -11.339 1.00 0.00 O ATOM 484 CB ASP A 33 -11.378 -1.785 -13.698 1.00 0.00 C ATOM 485 CG ASP A 33 -11.054 -1.742 -15.190 1.00 0.00 C ATOM 486 OD1 ASP A 33 -11.760 -1.002 -15.912 1.00 0.00 O ATOM 487 OD2 ASP A 33 -10.106 -2.448 -15.598 1.00 0.00 O ATOM 0 H ASP A 33 -9.901 0.946 -13.844 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.931 0.292 -13.555 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.702 -2.480 -13.199 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.389 -2.167 -13.556 1.00 0.00 H new ATOM 492 N CYS A 34 -10.853 -0.132 -10.626 1.00 0.00 N ATOM 493 CA CYS A 34 -11.211 -0.100 -9.219 1.00 0.00 C ATOM 494 C CYS A 34 -11.757 1.276 -8.840 1.00 0.00 C ATOM 495 O CYS A 34 -11.906 2.160 -9.684 1.00 0.00 O ATOM 496 CB CYS A 34 -9.973 -0.419 -8.376 1.00 0.00 C ATOM 497 SG CYS A 34 -9.301 -2.030 -8.867 1.00 0.00 S ATOM 0 H CYS A 34 -9.874 0.091 -10.808 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.985 -0.844 -9.030 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.219 0.357 -8.510 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.234 -0.430 -7.318 1.00 0.00 H new ATOM 0 HG CYS A 34 -8.977 -2.000 -10.126 1.00 0.00 H new ATOM 503 N THR A 35 -12.050 1.447 -7.551 1.00 0.00 N ATOM 504 CA THR A 35 -12.474 2.707 -6.966 1.00 0.00 C ATOM 505 C THR A 35 -11.618 2.916 -5.725 1.00 0.00 C ATOM 506 O THR A 35 -11.168 1.944 -5.125 1.00 0.00 O ATOM 507 CB THR A 35 -13.968 2.645 -6.633 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.709 2.444 -7.815 1.00 0.00 O ATOM 509 CG2 THR A 35 -14.444 3.937 -5.978 1.00 0.00 C ATOM 0 H THR A 35 -11.996 0.689 -6.871 1.00 0.00 H new ATOM 0 HA THR A 35 -12.343 3.545 -7.651 1.00 0.00 H new ATOM 0 HB THR A 35 -14.120 1.819 -5.939 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.664 2.403 -7.599 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.508 3.861 -5.754 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.890 4.102 -5.054 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.275 4.773 -6.657 1.00 0.00 H new ATOM 517 N ILE A 36 -11.390 4.172 -5.338 1.00 0.00 N ATOM 518 CA ILE A 36 -10.352 4.518 -4.374 1.00 0.00 C ATOM 519 C ILE A 36 -10.962 5.248 -3.178 1.00 0.00 C ATOM 520 O ILE A 36 -10.341 6.114 -2.569 1.00 0.00 O ATOM 521 CB ILE A 36 -9.251 5.285 -5.117 1.00 0.00 C ATOM 522 CG1 ILE A 36 -8.653 4.359 -6.184 1.00 0.00 C ATOM 523 CG2 ILE A 36 -8.112 5.730 -4.195 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.092 5.190 -7.328 1.00 0.00 C ATOM 0 H ILE A 36 -11.919 4.973 -5.684 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.883 3.634 -3.941 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.707 6.177 -5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.865 3.746 -5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.417 3.677 -6.558 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.363 6.268 -4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.507 6.385 -3.418 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.654 4.855 -3.734 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.668 4.529 -8.084 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.891 5.784 -7.772 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.315 5.853 -6.949 1.00 0.00 H new ATOM 536 N HIS A 37 -12.203 4.875 -2.853 1.00 0.00 N ATOM 537 CA HIS A 37 -13.009 5.437 -1.776 1.00 0.00 C ATOM 538 C HIS A 37 -13.354 6.922 -1.964 1.00 0.00 C ATOM 539 O HIS A 37 -14.488 7.315 -1.700 1.00 0.00 O ATOM 540 CB HIS A 37 -12.305 5.142 -0.453 1.00 0.00 C ATOM 541 CG HIS A 37 -13.206 5.291 0.739 1.00 0.00 C ATOM 542 ND1 HIS A 37 -13.919 4.286 1.351 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.470 6.447 1.419 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.593 4.830 2.378 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.353 6.151 2.463 1.00 0.00 N ATOM 0 H HIS A 37 -12.692 4.138 -3.360 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.987 4.956 -1.782 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.909 4.127 -0.477 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.453 5.814 -0.344 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.933 3.304 1.075 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.066 7.422 1.190 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.240 4.281 3.046 1.00 0.00 H new ATOM 553 N ASP A 38 -12.400 7.744 -2.415 1.00 0.00 N ATOM 554 CA ASP A 38 -12.621 9.138 -2.789 1.00 0.00 C ATOM 555 C ASP A 38 -11.628 9.603 -3.863 1.00 0.00 C ATOM 556 O ASP A 38 -11.775 10.707 -4.385 1.00 0.00 O ATOM 557 CB ASP A 38 -12.469 10.060 -1.575 1.00 0.00 C ATOM 558 CG ASP A 38 -13.641 9.970 -0.601 1.00 0.00 C ATOM 559 OD1 ASP A 38 -14.783 10.227 -1.044 1.00 0.00 O ATOM 560 OD2 ASP A 38 -13.387 9.643 0.579 1.00 0.00 O ATOM 0 H ASP A 38 -11.431 7.448 -2.531 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.636 9.194 -3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.548 9.809 -1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.369 11.089 -1.919 1.00 0.00 H new ATOM 565 N GLY A 39 -10.620 8.790 -4.207 1.00 0.00 N ATOM 566 CA GLY A 39 -9.615 9.182 -5.185 1.00 0.00 C ATOM 567 C GLY A 39 -8.384 9.727 -4.472 1.00 0.00 C ATOM 568 O GLY A 39 -7.770 9.037 -3.660 1.00 0.00 O ATOM 0 H GLY A 39 -10.485 7.857 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.340 8.325 -5.801 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.023 9.939 -5.855 1.00 0.00 H new ATOM 572 N ALA A 40 -8.027 10.974 -4.783 1.00 0.00 N ATOM 573 CA ALA A 40 -6.922 11.685 -4.151 1.00 0.00 C ATOM 574 C ALA A 40 -7.146 11.895 -2.647 1.00 0.00 C ATOM 575 O ALA A 40 -6.341 12.550 -1.988 1.00 0.00 O ATOM 576 CB ALA A 40 -6.749 13.029 -4.856 1.00 0.00 C ATOM 0 H ALA A 40 -8.508 11.525 -5.494 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.020 11.081 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.926 13.577 -4.397 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.530 12.861 -5.911 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.667 13.609 -4.764 1.00 0.00 H new ATOM 582 N ALA A 41 -8.236 11.341 -2.107 1.00 0.00 N ATOM 583 CA ALA A 41 -8.592 11.433 -0.700 1.00 0.00 C ATOM 584 C ALA A 41 -8.741 10.039 -0.084 1.00 0.00 C ATOM 585 O ALA A 41 -9.367 9.884 0.964 1.00 0.00 O ATOM 586 CB ALA A 41 -9.853 12.280 -0.549 1.00 0.00 C ATOM 0 H ALA A 41 -8.908 10.804 -2.656 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.791 11.927 -0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.121 12.349 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.669 13.279 -0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.671 11.817 -1.101 1.00 0.00 H new ATOM 592 N GLY A 42 -8.163 9.025 -0.738 1.00 0.00 N ATOM 593 CA GLY A 42 -8.159 7.653 -0.252 1.00 0.00 C ATOM 594 C GLY A 42 -6.757 7.046 -0.328 1.00 0.00 C ATOM 595 O GLY A 42 -6.568 5.887 0.044 1.00 0.00 O ATOM 0 H GLY A 42 -7.681 9.142 -1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.514 7.628 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.851 7.053 -0.843 1.00 0.00 H new ATOM 599 N VAL A 43 -5.777 7.822 -0.806 1.00 0.00 N ATOM 600 CA VAL A 43 -4.383 7.402 -0.852 1.00 0.00 C ATOM 601 C VAL A 43 -3.784 7.457 0.557 1.00 0.00 C ATOM 602 O VAL A 43 -4.275 8.192 1.414 1.00 0.00 O ATOM 603 CB VAL A 43 -3.594 8.321 -1.801 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.285 9.662 -1.133 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.291 7.632 -2.210 1.00 0.00 C ATOM 0 H VAL A 43 -5.935 8.761 -1.172 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.324 6.379 -1.223 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.202 8.513 -2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.727 10.293 -1.825 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.218 10.157 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.690 9.493 -0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.731 8.282 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.693 7.427 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.519 6.695 -2.718 1.00 0.00 H new ATOM 615 N HIS A 44 -2.721 6.683 0.797 1.00 0.00 N ATOM 616 CA HIS A 44 -1.958 6.723 2.038 1.00 0.00 C ATOM 617 C HIS A 44 -0.520 6.287 1.761 1.00 0.00 C ATOM 618 O HIS A 44 -0.259 5.643 0.750 1.00 0.00 O ATOM 619 CB HIS A 44 -2.569 5.769 3.065 1.00 0.00 C ATOM 620 CG HIS A 44 -3.872 6.244 3.645 1.00 0.00 C ATOM 621 ND1 HIS A 44 -4.030 7.199 4.624 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.121 5.804 3.302 1.00 0.00 C ATOM 623 CE1 HIS A 44 -5.346 7.324 4.864 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.058 6.496 4.079 1.00 0.00 N ATOM 0 H HIS A 44 -2.366 6.004 0.123 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.978 7.740 2.430 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.725 4.798 2.595 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.856 5.620 3.876 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.346 5.052 2.560 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.775 7.999 5.590 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.073 6.393 4.055 1.00 0.00 H new ATOM 632 N PHE A 45 0.410 6.635 2.656 1.00 0.00 N ATOM 633 CA PHE A 45 1.815 6.272 2.528 1.00 0.00 C ATOM 634 C PHE A 45 2.400 5.982 3.909 1.00 0.00 C ATOM 635 O PHE A 45 1.756 6.244 4.923 1.00 0.00 O ATOM 636 CB PHE A 45 2.571 7.396 1.818 1.00 0.00 C ATOM 637 CG PHE A 45 2.146 7.563 0.376 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.691 6.733 -0.614 1.00 0.00 C ATOM 639 CD2 PHE A 45 1.204 8.541 0.027 1.00 0.00 C ATOM 640 CE1 PHE A 45 2.273 6.858 -1.947 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.785 8.666 -1.305 1.00 0.00 C ATOM 642 CZ PHE A 45 1.311 7.817 -2.291 1.00 0.00 C ATOM 0 H PHE A 45 0.202 7.180 3.493 1.00 0.00 H new ATOM 0 HA PHE A 45 1.914 5.368 1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.408 8.332 2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.641 7.190 1.856 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.434 5.996 -0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.801 9.198 0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.692 6.216 -2.707 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.056 9.417 -1.573 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.975 7.903 -3.314 1.00 0.00 H new ATOM 652 N ILE A 46 3.623 5.439 3.953 1.00 0.00 N ATOM 653 CA ILE A 46 4.209 4.950 5.197 1.00 0.00 C ATOM 654 C ILE A 46 5.664 5.381 5.332 1.00 0.00 C ATOM 655 O ILE A 46 6.569 4.555 5.426 1.00 0.00 O ATOM 656 CB ILE A 46 4.083 3.431 5.286 1.00 0.00 C ATOM 657 CG1 ILE A 46 2.704 2.976 4.805 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.314 3.026 6.744 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.628 1.461 4.870 1.00 0.00 C ATOM 0 H ILE A 46 4.224 5.329 3.136 1.00 0.00 H new ATOM 0 HA ILE A 46 3.656 5.393 6.025 1.00 0.00 H new ATOM 0 HB ILE A 46 4.822 2.952 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.925 3.418 5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.531 3.317 3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.230 1.943 6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.310 3.341 7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.567 3.505 7.377 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.647 1.131 4.528 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.399 1.030 4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.784 1.133 5.898 1.00 0.00 H new ATOM 826 N ALA A 57 2.595 1.878 0.695 1.00 0.00 N ATOM 827 CA ALA A 57 1.347 2.614 0.814 1.00 0.00 C ATOM 828 C ALA A 57 0.148 1.694 1.041 1.00 0.00 C ATOM 829 O ALA A 57 0.283 0.475 1.132 1.00 0.00 O ATOM 830 CB ALA A 57 1.163 3.380 -0.498 1.00 0.00 C ATOM 0 HA ALA A 57 1.398 3.278 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.236 3.951 -0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.002 4.060 -0.643 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.120 2.675 -1.328 1.00 0.00 H new ATOM 836 N PHE A 58 -1.034 2.311 1.127 1.00 0.00 N ATOM 837 CA PHE A 58 -2.315 1.620 1.179 1.00 0.00 C ATOM 838 C PHE A 58 -3.296 2.357 0.275 1.00 0.00 C ATOM 839 O PHE A 58 -3.063 3.508 -0.096 1.00 0.00 O ATOM 840 CB PHE A 58 -2.891 1.608 2.595 1.00 0.00 C ATOM 841 CG PHE A 58 -2.073 0.911 3.656 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.158 -0.478 3.822 1.00 0.00 C ATOM 843 CD2 PHE A 58 -1.237 1.667 4.487 1.00 0.00 C ATOM 844 CE1 PHE A 58 -1.435 -1.105 4.846 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.530 1.043 5.521 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.629 -0.345 5.703 1.00 0.00 C ATOM 0 H PHE A 58 -1.123 3.326 1.163 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.162 0.590 0.857 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.045 2.641 2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.873 1.136 2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.780 -1.064 3.162 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.138 2.731 4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.499 -2.175 4.974 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.093 1.630 6.180 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.085 -0.826 6.502 1.00 0.00 H new ATOM 856 N VAL A 59 -4.397 1.691 -0.080 1.00 0.00 N ATOM 857 CA VAL A 59 -5.430 2.281 -0.919 1.00 0.00 C ATOM 858 C VAL A 59 -6.792 1.760 -0.475 1.00 0.00 C ATOM 859 O VAL A 59 -7.095 0.582 -0.662 1.00 0.00 O ATOM 860 CB VAL A 59 -5.183 1.923 -2.391 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.203 2.633 -3.279 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.788 2.340 -2.858 1.00 0.00 C ATOM 0 H VAL A 59 -4.593 0.732 0.207 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.405 3.366 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.276 0.840 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.021 2.374 -4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.209 2.322 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.108 3.711 -3.152 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.658 2.067 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.675 3.418 -2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.035 1.832 -2.255 1.00 0.00 H new ATOM 872 N GLU A 60 -7.618 2.630 0.112 1.00 0.00 N ATOM 873 CA GLU A 60 -8.980 2.253 0.459 1.00 0.00 C ATOM 874 C GLU A 60 -9.820 2.205 -0.811 1.00 0.00 C ATOM 875 O GLU A 60 -9.556 2.946 -1.757 1.00 0.00 O ATOM 876 CB GLU A 60 -9.589 3.258 1.435 1.00 0.00 C ATOM 877 CG GLU A 60 -8.875 3.219 2.785 1.00 0.00 C ATOM 878 CD GLU A 60 -9.669 4.003 3.826 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.512 5.243 3.868 1.00 0.00 O ATOM 880 OE2 GLU A 60 -10.428 3.347 4.573 1.00 0.00 O ATOM 0 H GLU A 60 -7.366 3.589 0.353 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.964 1.274 0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.524 4.262 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.648 3.038 1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.755 2.186 3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.875 3.640 2.687 1.00 0.00 H new ATOM 887 N LEU A 61 -10.831 1.335 -0.836 1.00 0.00 N ATOM 888 CA LEU A 61 -11.711 1.195 -1.986 1.00 0.00 C ATOM 889 C LEU A 61 -13.167 1.371 -1.570 1.00 0.00 C ATOM 890 O LEU A 61 -13.449 1.879 -0.485 1.00 0.00 O ATOM 891 CB LEU A 61 -11.504 -0.181 -2.619 1.00 0.00 C ATOM 892 CG LEU A 61 -10.029 -0.597 -2.685 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.967 -2.098 -2.892 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.305 0.086 -3.843 1.00 0.00 C ATOM 0 H LEU A 61 -11.058 0.712 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.470 1.968 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.060 -0.924 -2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.920 -0.177 -3.627 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.542 -0.301 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.926 -2.416 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.460 -2.601 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.471 -2.358 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.263 -0.232 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.783 -0.189 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.352 1.167 -3.715 1.00 0.00 H new ATOM 906 N GLY A 62 -14.096 0.949 -2.435 1.00 0.00 N ATOM 907 CA GLY A 62 -15.512 1.150 -2.191 1.00 0.00 C ATOM 908 C GLY A 62 -16.321 -0.145 -2.124 1.00 0.00 C ATOM 909 O GLY A 62 -17.414 -0.138 -1.558 1.00 0.00 O ATOM 0 H GLY A 62 -13.883 0.467 -3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.635 1.692 -1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.920 1.781 -2.980 1.00 0.00 H new ATOM 913 N SER A 63 -15.817 -1.252 -2.683 1.00 0.00 N ATOM 914 CA SER A 63 -16.545 -2.518 -2.671 1.00 0.00 C ATOM 915 C SER A 63 -15.597 -3.714 -2.666 1.00 0.00 C ATOM 916 O SER A 63 -14.396 -3.569 -2.890 1.00 0.00 O ATOM 917 CB SER A 63 -17.436 -2.621 -3.914 1.00 0.00 C ATOM 918 OG SER A 63 -18.356 -1.552 -3.973 1.00 0.00 O ATOM 0 H SER A 63 -14.910 -1.293 -3.147 1.00 0.00 H new ATOM 0 HA SER A 63 -17.145 -2.536 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.816 -2.620 -4.810 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.975 -3.568 -3.900 1.00 0.00 H new ATOM 0 HG SER A 63 -18.910 -1.642 -4.776 1.00 0.00 H new ATOM 924 N GLU A 64 -16.152 -4.902 -2.408 1.00 0.00 N ATOM 925 CA GLU A 64 -15.420 -6.160 -2.481 1.00 0.00 C ATOM 926 C GLU A 64 -14.889 -6.370 -3.893 1.00 0.00 C ATOM 927 O GLU A 64 -13.826 -6.954 -4.091 1.00 0.00 O ATOM 928 CB GLU A 64 -16.390 -7.298 -2.158 1.00 0.00 C ATOM 929 CG GLU A 64 -15.698 -8.655 -2.271 1.00 0.00 C ATOM 930 CD GLU A 64 -16.643 -9.784 -1.864 1.00 0.00 C ATOM 931 OE1 GLU A 64 -16.722 -10.060 -0.646 1.00 0.00 O ATOM 932 OE2 GLU A 64 -17.278 -10.360 -2.774 1.00 0.00 O ATOM 0 H GLU A 64 -17.130 -5.013 -2.141 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.588 -6.140 -1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.784 -7.170 -1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.240 -7.261 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.359 -8.811 -3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.812 -8.670 -1.636 1.00 0.00 H new ATOM 939 N ASP A 65 -15.635 -5.889 -4.885 1.00 0.00 N ATOM 940 CA ASP A 65 -15.246 -6.055 -6.266 1.00 0.00 C ATOM 941 C ASP A 65 -13.978 -5.264 -6.568 1.00 0.00 C ATOM 942 O ASP A 65 -13.195 -5.659 -7.429 1.00 0.00 O ATOM 943 CB ASP A 65 -16.392 -5.572 -7.146 1.00 0.00 C ATOM 944 CG ASP A 65 -17.635 -6.442 -6.972 1.00 0.00 C ATOM 945 OD1 ASP A 65 -17.686 -7.511 -7.620 1.00 0.00 O ATOM 946 OD2 ASP A 65 -18.523 -6.030 -6.194 1.00 0.00 O ATOM 0 H ASP A 65 -16.510 -5.383 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.036 -7.106 -6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.632 -4.538 -6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.081 -5.585 -8.191 1.00 0.00 H new ATOM 951 N ASP A 66 -13.763 -4.148 -5.866 1.00 0.00 N ATOM 952 CA ASP A 66 -12.587 -3.328 -6.082 1.00 0.00 C ATOM 953 C ASP A 66 -11.366 -3.974 -5.436 1.00 0.00 C ATOM 954 O ASP A 66 -10.273 -3.900 -5.993 1.00 0.00 O ATOM 955 CB ASP A 66 -12.819 -1.948 -5.467 1.00 0.00 C ATOM 956 CG ASP A 66 -13.962 -1.199 -6.143 1.00 0.00 C ATOM 957 OD1 ASP A 66 -13.935 -1.103 -7.390 1.00 0.00 O ATOM 958 OD2 ASP A 66 -14.851 -0.728 -5.402 1.00 0.00 O ATOM 0 H ASP A 66 -14.394 -3.799 -5.144 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.409 -3.233 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.037 -2.058 -4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.905 -1.359 -5.545 1.00 0.00 H new ATOM 963 N VAL A 67 -11.531 -4.607 -4.268 1.00 0.00 N ATOM 964 CA VAL A 67 -10.396 -5.233 -3.601 1.00 0.00 C ATOM 965 C VAL A 67 -9.966 -6.464 -4.380 1.00 0.00 C ATOM 966 O VAL A 67 -8.772 -6.723 -4.493 1.00 0.00 O ATOM 967 CB VAL A 67 -10.694 -5.529 -2.123 1.00 0.00 C ATOM 968 CG1 VAL A 67 -12.090 -6.068 -1.856 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.680 -6.503 -1.528 1.00 0.00 C ATOM 0 H VAL A 67 -12.421 -4.696 -3.778 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.558 -4.536 -3.591 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.621 -4.555 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.212 -6.248 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.831 -5.341 -2.188 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.230 -7.002 -2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.924 -6.688 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.711 -7.443 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.680 -6.075 -1.597 1.00 0.00 H new ATOM 979 N LYS A 68 -10.911 -7.233 -4.924 1.00 0.00 N ATOM 980 CA LYS A 68 -10.557 -8.367 -5.756 1.00 0.00 C ATOM 981 C LYS A 68 -9.804 -7.895 -6.998 1.00 0.00 C ATOM 982 O LYS A 68 -8.763 -8.458 -7.336 1.00 0.00 O ATOM 983 CB LYS A 68 -11.835 -9.107 -6.142 1.00 0.00 C ATOM 984 CG LYS A 68 -12.375 -9.866 -4.930 1.00 0.00 C ATOM 985 CD LYS A 68 -13.700 -10.530 -5.303 1.00 0.00 C ATOM 986 CE LYS A 68 -14.264 -11.312 -4.118 1.00 0.00 C ATOM 987 NZ LYS A 68 -13.408 -12.460 -3.764 1.00 0.00 N ATOM 0 H LYS A 68 -11.913 -7.088 -4.801 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.901 -9.043 -5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.582 -8.400 -6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.633 -9.801 -6.958 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.656 -10.618 -4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.520 -9.183 -4.093 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.416 -9.772 -5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.551 -11.200 -6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.359 -10.650 -3.257 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.266 -11.666 -4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.915 -13.079 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.171 -12.995 -4.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.534 -12.116 -3.318 1.00 0.00 H new ATOM 1001 N MET A 69 -10.320 -6.867 -7.677 1.00 0.00 N ATOM 1002 CA MET A 69 -9.694 -6.353 -8.886 1.00 0.00 C ATOM 1003 C MET A 69 -8.331 -5.733 -8.598 1.00 0.00 C ATOM 1004 O MET A 69 -7.463 -5.740 -9.468 1.00 0.00 O ATOM 1005 CB MET A 69 -10.607 -5.313 -9.540 1.00 0.00 C ATOM 1006 CG MET A 69 -11.756 -6.002 -10.276 1.00 0.00 C ATOM 1007 SD MET A 69 -12.708 -4.917 -11.374 1.00 0.00 S ATOM 1008 CE MET A 69 -13.136 -3.588 -10.221 1.00 0.00 C ATOM 0 H MET A 69 -11.172 -6.377 -7.405 1.00 0.00 H new ATOM 0 HA MET A 69 -9.542 -7.192 -9.565 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.005 -4.640 -8.781 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.033 -4.703 -10.238 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.351 -6.826 -10.863 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.433 -6.437 -9.540 1.00 0.00 H new ATOM 0 HE1 MET A 69 -13.894 -2.947 -10.670 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.525 -4.018 -9.298 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.247 -2.998 -10.000 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.126 -5.195 -7.393 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.858 -4.587 -7.028 1.00 0.00 C ATOM 1020 C ALA A 70 -5.773 -5.641 -6.796 1.00 0.00 C ATOM 1021 O ALA A 70 -4.588 -5.357 -6.962 1.00 0.00 O ATOM 1022 CB ALA A 70 -7.064 -3.742 -5.773 1.00 0.00 C ATOM 0 H ALA A 70 -8.830 -5.172 -6.655 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.518 -3.957 -7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.120 -3.279 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.802 -2.966 -5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.417 -4.377 -4.961 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.167 -6.857 -6.415 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.247 -7.960 -6.188 1.00 0.00 C ATOM 1030 C LEU A 71 -4.859 -8.660 -7.494 1.00 0.00 C ATOM 1031 O LEU A 71 -3.897 -9.426 -7.520 1.00 0.00 O ATOM 1032 CB LEU A 71 -5.905 -8.934 -5.207 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.170 -8.231 -3.869 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.066 -9.086 -2.977 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.867 -7.933 -3.143 1.00 0.00 C ATOM 0 H LEU A 71 -7.144 -7.101 -6.255 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.318 -7.576 -5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.841 -9.306 -5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.259 -9.798 -5.052 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.676 -7.290 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.241 -8.568 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.019 -9.260 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.579 -10.042 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.083 -7.435 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.337 -8.866 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.246 -7.285 -3.761 1.00 0.00 H new ATOM 1047 N LYS A 72 -5.595 -8.406 -8.582 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.281 -8.967 -9.900 1.00 0.00 C ATOM 1049 C LYS A 72 -3.991 -8.420 -10.525 1.00 0.00 C ATOM 1050 O LYS A 72 -3.625 -8.840 -11.621 1.00 0.00 O ATOM 1051 CB LYS A 72 -6.431 -8.715 -10.877 1.00 0.00 C ATOM 1052 CG LYS A 72 -7.764 -9.286 -10.393 1.00 0.00 C ATOM 1053 CD LYS A 72 -7.666 -10.776 -10.062 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.005 -11.293 -9.537 1.00 0.00 C ATOM 1055 NZ LYS A 72 -10.053 -11.250 -10.575 1.00 0.00 N ATOM 0 H LYS A 72 -6.422 -7.808 -8.574 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.134 -10.033 -9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.538 -7.642 -11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.183 -9.156 -11.843 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.092 -8.740 -9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.523 -9.135 -11.161 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.377 -11.335 -10.952 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.888 -10.939 -9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.886 -12.317 -9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.316 -10.694 -8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.882 -11.789 -10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.328 -10.262 -10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.688 -11.668 -11.454 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.299 -7.495 -9.853 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.070 -6.886 -10.360 1.00 0.00 C ATOM 1071 C LYS A 73 -0.974 -6.934 -9.302 1.00 0.00 C ATOM 1072 O LYS A 73 -0.028 -6.152 -9.326 1.00 0.00 O ATOM 1073 CB LYS A 73 -2.341 -5.464 -10.870 1.00 0.00 C ATOM 1074 CG LYS A 73 -2.987 -4.549 -9.838 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.511 -4.563 -9.902 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.001 -3.961 -11.221 1.00 0.00 C ATOM 1077 NZ LYS A 73 -6.472 -3.841 -11.242 1.00 0.00 N ATOM 0 H LYS A 73 -3.579 -7.147 -8.936 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.711 -7.462 -11.213 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.400 -5.020 -11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.987 -5.520 -11.746 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.668 -4.852 -8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.632 -3.530 -9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.875 -5.586 -9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.921 -3.999 -9.064 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.552 -2.978 -11.364 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.673 -4.585 -12.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.840 -4.240 -12.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.874 -4.360 -10.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.739 -2.838 -11.176 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.132 -7.876 -8.374 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.256 -8.115 -7.236 1.00 0.00 C ATOM 1093 C ASP A 74 1.252 -8.189 -7.504 1.00 0.00 C ATOM 1094 O ASP A 74 2.010 -8.203 -6.535 1.00 0.00 O ATOM 1095 CB ASP A 74 -0.754 -9.359 -6.497 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.628 -10.649 -7.310 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -0.289 -10.567 -8.511 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -0.877 -11.721 -6.714 1.00 0.00 O ATOM 0 H ASP A 74 -1.918 -8.526 -8.400 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.329 -7.215 -6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.193 -9.469 -5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.799 -9.214 -6.222 1.00 0.00 H new ATOM 1103 N ARG A 75 1.712 -8.234 -8.761 1.00 0.00 N ATOM 1104 CA ARG A 75 3.136 -8.100 -9.073 1.00 0.00 C ATOM 1105 C ARG A 75 3.410 -7.751 -10.537 1.00 0.00 C ATOM 1106 O ARG A 75 4.512 -7.994 -11.026 1.00 0.00 O ATOM 1107 CB ARG A 75 3.944 -9.317 -8.623 1.00 0.00 C ATOM 1108 CG ARG A 75 3.335 -10.638 -9.076 1.00 0.00 C ATOM 1109 CD ARG A 75 4.145 -11.760 -8.440 1.00 0.00 C ATOM 1110 NE ARG A 75 3.650 -13.078 -8.855 1.00 0.00 N ATOM 1111 CZ ARG A 75 2.570 -13.672 -8.338 1.00 0.00 C ATOM 1112 NH1 ARG A 75 1.874 -13.098 -7.360 1.00 0.00 N ATOM 1113 NH2 ARG A 75 2.179 -14.856 -8.804 1.00 0.00 N ATOM 0 H ARG A 75 1.115 -8.363 -9.578 1.00 0.00 H new ATOM 0 HA ARG A 75 3.479 -7.245 -8.490 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.958 -9.238 -9.015 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.021 -9.313 -7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.290 -10.701 -8.774 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.358 -10.718 -10.163 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.193 -11.658 -8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.096 -11.676 -7.354 1.00 0.00 H new ATOM 0 HE ARG A 75 4.163 -13.572 -9.585 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.162 -12.191 -6.993 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.052 -13.565 -6.977 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.703 -15.307 -9.554 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.355 -15.312 -8.411 1.00 0.00 H new ATOM 1127 N GLU A 76 2.430 -7.184 -11.248 1.00 0.00 N ATOM 1128 CA GLU A 76 2.670 -6.731 -12.616 1.00 0.00 C ATOM 1129 C GLU A 76 3.536 -5.461 -12.626 1.00 0.00 C ATOM 1130 O GLU A 76 4.166 -5.127 -11.621 1.00 0.00 O ATOM 1131 CB GLU A 76 1.371 -6.583 -13.408 1.00 0.00 C ATOM 1132 CG GLU A 76 0.374 -5.662 -12.722 1.00 0.00 C ATOM 1133 CD GLU A 76 -0.204 -4.645 -13.704 1.00 0.00 C ATOM 1134 OE1 GLU A 76 0.483 -3.629 -13.942 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.323 -4.892 -14.206 1.00 0.00 O ATOM 0 H GLU A 76 1.482 -7.031 -10.905 1.00 0.00 H new ATOM 0 HA GLU A 76 3.238 -7.503 -13.135 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.597 -6.194 -14.401 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.919 -7.565 -13.545 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.433 -6.253 -12.289 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.863 -5.140 -11.900 1.00 0.00 H new ATOM 1142 N SER A 77 3.580 -4.743 -13.753 1.00 0.00 N ATOM 1143 CA SER A 77 4.620 -3.748 -13.998 1.00 0.00 C ATOM 1144 C SER A 77 4.130 -2.317 -14.209 1.00 0.00 C ATOM 1145 O SER A 77 4.958 -1.432 -14.419 1.00 0.00 O ATOM 1146 CB SER A 77 5.399 -4.188 -15.235 1.00 0.00 C ATOM 1147 OG SER A 77 4.525 -4.284 -16.341 1.00 0.00 O ATOM 0 H SER A 77 2.903 -4.836 -14.510 1.00 0.00 H new ATOM 0 HA SER A 77 5.226 -3.710 -13.093 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.194 -3.474 -15.449 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.876 -5.151 -15.052 1.00 0.00 H new ATOM 0 HG SER A 77 5.029 -4.565 -17.133 1.00 0.00 H new ATOM 1153 N MET A 78 2.816 -2.081 -14.159 1.00 0.00 N ATOM 1154 CA MET A 78 2.183 -0.792 -14.452 1.00 0.00 C ATOM 1155 C MET A 78 2.386 -0.371 -15.913 1.00 0.00 C ATOM 1156 O MET A 78 1.586 0.392 -16.452 1.00 0.00 O ATOM 1157 CB MET A 78 2.674 0.280 -13.471 1.00 0.00 C ATOM 1158 CG MET A 78 1.996 1.635 -13.678 1.00 0.00 C ATOM 1159 SD MET A 78 2.758 2.999 -12.755 1.00 0.00 S ATOM 1160 CE MET A 78 2.153 2.670 -11.079 1.00 0.00 C ATOM 0 H MET A 78 2.143 -2.804 -13.906 1.00 0.00 H new ATOM 0 HA MET A 78 1.108 -0.906 -14.315 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.493 -0.059 -12.451 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.752 0.399 -13.581 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.011 1.877 -14.741 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.949 1.553 -13.385 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.780 3.193 -10.357 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.125 3.021 -10.988 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.190 1.598 -10.883 1.00 0.00 H new ATOM 1170 N GLY A 79 3.447 -0.863 -16.560 1.00 0.00 N ATOM 1171 CA GLY A 79 3.744 -0.583 -17.954 1.00 0.00 C ATOM 1172 C GLY A 79 5.228 -0.293 -18.173 1.00 0.00 C ATOM 1173 O GLY A 79 5.709 -0.413 -19.299 1.00 0.00 O ATOM 0 H GLY A 79 4.130 -1.476 -16.116 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.446 -1.434 -18.567 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.154 0.271 -18.286 1.00 0.00 H new ATOM 1177 N HIS A 80 5.958 0.087 -17.114 1.00 0.00 N ATOM 1178 CA HIS A 80 7.353 0.495 -17.243 1.00 0.00 C ATOM 1179 C HIS A 80 8.200 0.175 -16.005 1.00 0.00 C ATOM 1180 O HIS A 80 9.379 0.527 -15.977 1.00 0.00 O ATOM 1181 CB HIS A 80 7.403 2.006 -17.496 1.00 0.00 C ATOM 1182 CG HIS A 80 6.653 2.450 -18.724 1.00 0.00 C ATOM 1183 ND1 HIS A 80 5.444 3.105 -18.748 1.00 0.00 N ATOM 1184 CD2 HIS A 80 7.047 2.279 -20.024 1.00 0.00 C ATOM 1185 CE1 HIS A 80 5.121 3.323 -20.036 1.00 0.00 C ATOM 1186 NE2 HIS A 80 6.068 2.837 -20.856 1.00 0.00 N ATOM 0 H HIS A 80 5.599 0.118 -16.160 1.00 0.00 H new ATOM 0 HA HIS A 80 7.775 -0.071 -18.074 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.994 2.522 -16.627 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.445 2.314 -17.589 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.956 1.797 -20.352 1.00 0.00 H new ATOM 0 HE1 HIS A 80 4.222 3.822 -20.366 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.073 2.868 -21.876 1.00 0.00 H new ATOM 1194 N ARG A 81 7.636 -0.483 -14.983 1.00 0.00 N ATOM 1195 CA ARG A 81 8.363 -0.756 -13.747 1.00 0.00 C ATOM 1196 C ARG A 81 7.906 -2.081 -13.132 1.00 0.00 C ATOM 1197 O ARG A 81 7.813 -3.085 -13.832 1.00 0.00 O ATOM 1198 CB ARG A 81 8.229 0.460 -12.814 1.00 0.00 C ATOM 1199 CG ARG A 81 9.113 0.428 -11.555 1.00 0.00 C ATOM 1200 CD ARG A 81 10.527 -0.095 -11.813 1.00 0.00 C ATOM 1201 NE ARG A 81 11.284 -0.179 -10.558 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.618 -0.182 -10.487 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.360 -0.136 -11.591 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.222 -0.232 -9.302 1.00 0.00 N ATOM 0 H ARG A 81 6.678 -0.834 -14.993 1.00 0.00 H new ATOM 0 HA ARG A 81 9.427 -0.890 -13.941 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.467 1.360 -13.381 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.188 0.545 -12.504 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.177 1.434 -11.140 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.635 -0.198 -10.801 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.477 -1.078 -12.280 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.043 0.564 -12.512 1.00 0.00 H new ATOM 0 HE ARG A 81 10.759 -0.239 -9.686 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.911 -0.098 -12.506 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.378 -0.139 -11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.666 -0.268 -8.447 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.241 -0.234 -9.248 1.00 0.00 H new ATOM 1218 N TYR A 82 7.622 -2.089 -11.829 1.00 0.00 N ATOM 1219 CA TYR A 82 7.312 -3.279 -11.057 1.00 0.00 C ATOM 1220 C TYR A 82 6.572 -2.833 -9.809 1.00 0.00 C ATOM 1221 O TYR A 82 7.068 -2.014 -9.036 1.00 0.00 O ATOM 1222 CB TYR A 82 8.637 -3.967 -10.726 1.00 0.00 C ATOM 1223 CG TYR A 82 8.638 -5.143 -9.768 1.00 0.00 C ATOM 1224 CD1 TYR A 82 7.500 -5.929 -9.493 1.00 0.00 C ATOM 1225 CD2 TYR A 82 9.856 -5.441 -9.141 1.00 0.00 C ATOM 1226 CE1 TYR A 82 7.598 -7.011 -8.605 1.00 0.00 C ATOM 1227 CE2 TYR A 82 9.958 -6.513 -8.248 1.00 0.00 C ATOM 1228 CZ TYR A 82 8.829 -7.310 -7.986 1.00 0.00 C ATOM 1229 OH TYR A 82 8.931 -8.368 -7.135 1.00 0.00 O ATOM 0 H TYR A 82 7.602 -1.236 -11.270 1.00 0.00 H new ATOM 0 HA TYR A 82 6.681 -3.985 -11.597 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.074 -4.307 -11.665 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.307 -3.210 -10.318 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.556 -5.699 -9.964 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.726 -4.836 -9.350 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.728 -7.616 -8.395 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.899 -6.727 -7.762 1.00 0.00 H new ATOM 0 HH TYR A 82 8.478 -8.155 -6.292 1.00 0.00 H new ATOM 1239 N ILE A 83 5.376 -3.382 -9.622 1.00 0.00 N ATOM 1240 CA ILE A 83 4.515 -3.028 -8.512 1.00 0.00 C ATOM 1241 C ILE A 83 4.224 -4.302 -7.737 1.00 0.00 C ATOM 1242 O ILE A 83 4.516 -5.393 -8.217 1.00 0.00 O ATOM 1243 CB ILE A 83 3.206 -2.409 -9.029 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.397 -1.505 -10.254 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.515 -1.612 -7.917 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.252 -0.271 -9.974 1.00 0.00 C ATOM 0 H ILE A 83 4.980 -4.088 -10.243 1.00 0.00 H new ATOM 0 HA ILE A 83 5.000 -2.292 -7.871 1.00 0.00 H new ATOM 0 HB ILE A 83 2.583 -3.247 -9.341 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.859 -2.083 -11.054 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.420 -1.185 -10.616 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.590 -1.180 -8.300 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.288 -2.274 -7.082 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.175 -0.813 -7.578 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.345 0.322 -10.884 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.780 0.330 -9.196 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.242 -0.582 -9.641 1.00 0.00 H new ATOM 1258 N GLU A 84 3.649 -4.173 -6.545 1.00 0.00 N ATOM 1259 CA GLU A 84 3.191 -5.311 -5.774 1.00 0.00 C ATOM 1260 C GLU A 84 1.975 -4.891 -4.960 1.00 0.00 C ATOM 1261 O GLU A 84 1.837 -3.722 -4.597 1.00 0.00 O ATOM 1262 CB GLU A 84 4.300 -5.805 -4.847 1.00 0.00 C ATOM 1263 CG GLU A 84 5.177 -6.863 -5.507 1.00 0.00 C ATOM 1264 CD GLU A 84 6.130 -7.437 -4.464 1.00 0.00 C ATOM 1265 OE1 GLU A 84 5.630 -8.089 -3.521 1.00 0.00 O ATOM 1266 OE2 GLU A 84 7.350 -7.219 -4.619 1.00 0.00 O ATOM 0 H GLU A 84 3.490 -3.273 -6.091 1.00 0.00 H new ATOM 0 HA GLU A 84 2.922 -6.126 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.919 -4.961 -4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.856 -6.218 -3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.559 -7.655 -5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.740 -6.425 -6.331 1.00 0.00 H new ATOM 1273 N VAL A 85 1.094 -5.852 -4.674 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.140 -5.588 -3.950 1.00 0.00 C ATOM 1275 C VAL A 85 -0.476 -6.777 -3.068 1.00 0.00 C ATOM 1276 O VAL A 85 -0.138 -7.915 -3.390 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.312 -5.376 -4.921 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -2.499 -4.716 -4.215 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -0.915 -4.499 -6.101 1.00 0.00 C ATOM 0 H VAL A 85 1.220 -6.829 -4.939 1.00 0.00 H new ATOM 0 HA VAL A 85 0.008 -4.688 -3.353 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.594 -6.365 -5.283 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.314 -4.578 -4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.835 -5.352 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.194 -3.747 -3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.770 -4.373 -6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.591 -3.524 -5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.099 -4.972 -6.647 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.148 -6.502 -1.952 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.694 -7.534 -1.096 1.00 0.00 C ATOM 1291 C PHE A 86 -2.978 -6.994 -0.487 1.00 0.00 C ATOM 1292 O PHE A 86 -3.201 -5.784 -0.463 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.714 -7.934 0.011 1.00 0.00 C ATOM 1294 CG PHE A 86 0.690 -7.382 -0.096 1.00 0.00 C ATOM 1295 CD1 PHE A 86 1.640 -7.928 -0.973 1.00 0.00 C ATOM 1296 CD2 PHE A 86 1.039 -6.300 0.716 1.00 0.00 C ATOM 1297 CE1 PHE A 86 2.937 -7.401 -1.017 1.00 0.00 C ATOM 1298 CE2 PHE A 86 2.327 -5.758 0.666 1.00 0.00 C ATOM 1299 CZ PHE A 86 3.281 -6.310 -0.202 1.00 0.00 C ATOM 0 H PHE A 86 -1.325 -5.553 -1.622 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.885 -8.430 -1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.132 -7.618 0.967 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.652 -9.022 0.034 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.371 -8.755 -1.614 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.307 -5.878 1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.673 -7.834 -1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.586 -4.918 1.293 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.278 -5.897 -0.243 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.830 -7.887 0.012 1.00 0.00 N ATOM 1310 CA LYS A 87 -5.075 -7.482 0.624 1.00 0.00 C ATOM 1311 C LYS A 87 -4.789 -6.746 1.933 1.00 0.00 C ATOM 1312 O LYS A 87 -3.742 -6.936 2.551 1.00 0.00 O ATOM 1313 CB LYS A 87 -5.921 -8.741 0.816 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.354 -8.384 1.183 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.179 -9.656 1.376 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.548 -9.319 1.968 1.00 0.00 C ATOM 1317 NZ LYS A 87 -9.414 -8.768 3.329 1.00 0.00 N ATOM 0 H LYS A 87 -3.673 -8.895 0.000 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.631 -6.784 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.913 -9.332 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.485 -9.361 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.366 -7.791 2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.796 -7.770 0.399 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.304 -10.164 0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.650 -10.344 2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.057 -8.598 1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.168 -10.215 1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.309 -8.893 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.653 -9.267 3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.186 -7.755 3.272 1.00 0.00 H new ATOM 1331 N SER A 88 -5.733 -5.902 2.351 1.00 0.00 N ATOM 1332 CA SER A 88 -5.653 -5.139 3.590 1.00 0.00 C ATOM 1333 C SER A 88 -7.013 -5.222 4.296 1.00 0.00 C ATOM 1334 O SER A 88 -7.934 -5.863 3.789 1.00 0.00 O ATOM 1335 CB SER A 88 -5.282 -3.691 3.269 1.00 0.00 C ATOM 1336 OG SER A 88 -5.125 -2.953 4.463 1.00 0.00 O ATOM 0 H SER A 88 -6.590 -5.729 1.825 1.00 0.00 H new ATOM 0 HA SER A 88 -4.886 -5.545 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.358 -3.664 2.692 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.057 -3.237 2.651 1.00 0.00 H new ATOM 0 HG SER A 88 -4.886 -2.028 4.247 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.154 -4.583 5.461 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.399 -4.602 6.227 1.00 0.00 C ATOM 1344 C HIS A 89 -8.538 -3.365 7.118 1.00 0.00 C ATOM 1345 O HIS A 89 -9.322 -3.378 8.064 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.482 -5.889 7.053 1.00 0.00 C ATOM 1347 CG HIS A 89 -7.201 -6.232 7.765 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -6.898 -5.947 9.076 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -6.122 -6.884 7.232 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.658 -6.406 9.319 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -5.141 -6.991 8.225 1.00 0.00 N ATOM 0 H HIS A 89 -6.409 -4.040 5.897 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.231 -4.579 5.523 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.281 -5.788 7.788 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.755 -6.715 6.397 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -6.041 -7.252 6.220 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.146 -6.317 10.266 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -4.222 -7.424 8.136 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.783 -2.302 6.817 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.826 -1.006 7.498 1.00 0.00 C ATOM 1361 C ARG A 90 -7.261 -1.042 8.919 1.00 0.00 C ATOM 1362 O ARG A 90 -6.642 -0.067 9.340 1.00 0.00 O ATOM 1363 CB ARG A 90 -9.254 -0.442 7.488 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.306 0.940 8.147 1.00 0.00 C ATOM 1365 CD ARG A 90 -10.720 1.518 8.120 1.00 0.00 C ATOM 1366 NE ARG A 90 -11.183 1.737 6.746 1.00 0.00 N ATOM 1367 CZ ARG A 90 -12.237 1.137 6.185 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -12.984 0.267 6.860 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -12.540 1.421 4.922 1.00 0.00 N ATOM 0 H ARG A 90 -7.098 -2.324 6.061 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.172 -0.340 6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.614 -0.372 6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.922 -1.124 8.014 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.961 0.866 9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.625 1.617 7.631 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.402 0.839 8.631 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.740 2.461 8.667 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.659 2.399 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.757 0.044 7.829 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.783 -0.177 6.408 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.972 2.087 4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.341 0.973 4.477 1.00 0.00 H new ATOM 1383 N THR A 91 -7.452 -2.130 9.668 1.00 0.00 N ATOM 1384 CA THR A 91 -6.903 -2.217 11.015 1.00 0.00 C ATOM 1385 C THR A 91 -5.379 -2.197 10.963 1.00 0.00 C ATOM 1386 O THR A 91 -4.737 -1.599 11.823 1.00 0.00 O ATOM 1387 CB THR A 91 -7.397 -3.491 11.700 1.00 0.00 C ATOM 1388 OG1 THR A 91 -8.807 -3.501 11.722 1.00 0.00 O ATOM 1389 CG2 THR A 91 -6.875 -3.559 13.131 1.00 0.00 C ATOM 0 H THR A 91 -7.976 -2.951 9.366 1.00 0.00 H new ATOM 0 HA THR A 91 -7.242 -1.357 11.592 1.00 0.00 H new ATOM 0 HB THR A 91 -7.029 -4.352 11.143 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.122 -4.319 12.160 1.00 0.00 H new ATOM 0 HG21 THR A 91 -7.235 -4.471 13.607 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.785 -3.560 13.121 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.232 -2.694 13.690 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.795 -2.851 9.954 1.00 0.00 N ATOM 1398 CA GLU A 92 -3.356 -2.825 9.742 1.00 0.00 C ATOM 1399 C GLU A 92 -2.935 -1.443 9.275 1.00 0.00 C ATOM 1400 O GLU A 92 -1.909 -0.938 9.719 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.998 -3.872 8.688 1.00 0.00 C ATOM 1402 CG GLU A 92 -1.487 -3.942 8.459 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.723 -4.336 9.723 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -1.219 -5.228 10.449 1.00 0.00 O ATOM 1405 OE2 GLU A 92 0.353 -3.742 9.954 1.00 0.00 O ATOM 0 H GLU A 92 -5.307 -3.407 9.270 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.834 -3.051 10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.365 -4.848 9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.499 -3.632 7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.275 -4.664 7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.130 -2.973 8.109 1.00 0.00 H new ATOM 1412 N MET A 93 -3.721 -0.834 8.384 1.00 0.00 N ATOM 1413 CA MET A 93 -3.386 0.471 7.845 1.00 0.00 C ATOM 1414 C MET A 93 -3.311 1.492 8.973 1.00 0.00 C ATOM 1415 O MET A 93 -2.354 2.257 9.049 1.00 0.00 O ATOM 1416 CB MET A 93 -4.444 0.877 6.819 1.00 0.00 C ATOM 1417 CG MET A 93 -4.144 2.269 6.262 1.00 0.00 C ATOM 1418 SD MET A 93 -5.312 2.848 5.007 1.00 0.00 S ATOM 1419 CE MET A 93 -6.808 2.897 6.023 1.00 0.00 C ATOM 0 H MET A 93 -4.591 -1.229 8.026 1.00 0.00 H new ATOM 0 HA MET A 93 -2.413 0.430 7.354 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.468 0.151 6.006 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.430 0.869 7.283 1.00 0.00 H new ATOM 0 HG2 MET A 93 -4.135 2.981 7.087 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.142 2.266 5.833 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.354 3.819 5.823 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.440 2.042 5.782 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.533 2.860 7.077 1.00 0.00 H new ATOM 1429 N ASP A 94 -4.315 1.504 9.850 1.00 0.00 N ATOM 1430 CA ASP A 94 -4.392 2.471 10.933 1.00 0.00 C ATOM 1431 C ASP A 94 -3.241 2.293 11.920 1.00 0.00 C ATOM 1432 O ASP A 94 -2.810 3.246 12.566 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.717 2.268 11.658 1.00 0.00 C ATOM 1434 CG ASP A 94 -5.990 3.392 12.654 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -6.203 4.534 12.192 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.984 3.098 13.870 1.00 0.00 O ATOM 0 H ASP A 94 -5.093 0.844 9.826 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.323 3.477 10.518 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.527 2.221 10.930 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.703 1.312 12.182 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.750 1.057 12.027 1.00 0.00 N ATOM 1442 CA TRP A 95 -1.712 0.685 12.975 1.00 0.00 C ATOM 1443 C TRP A 95 -0.308 1.067 12.515 1.00 0.00 C ATOM 1444 O TRP A 95 0.591 1.186 13.347 1.00 0.00 O ATOM 1445 CB TRP A 95 -1.782 -0.827 13.188 1.00 0.00 C ATOM 1446 CG TRP A 95 -0.828 -1.368 14.206 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -1.075 -1.534 15.524 1.00 0.00 C ATOM 1448 CD2 TRP A 95 0.544 -1.820 14.005 1.00 0.00 C ATOM 1449 NE1 TRP A 95 0.048 -2.042 16.148 1.00 0.00 N ATOM 1450 CE2 TRP A 95 1.085 -2.224 15.255 1.00 0.00 C ATOM 1451 CE3 TRP A 95 1.388 -1.914 12.885 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 2.401 -2.682 15.389 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 2.711 -2.360 13.005 1.00 0.00 C ATOM 1454 CH2 TRP A 95 3.220 -2.747 14.253 1.00 0.00 C ATOM 0 H TRP A 95 -3.070 0.280 11.448 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.894 1.233 13.899 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.797 -1.090 13.487 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.592 -1.322 12.236 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.009 -1.304 16.015 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.104 -2.256 17.144 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.009 -1.637 11.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.780 -2.981 16.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.343 -2.406 12.130 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.239 -3.094 14.339 1.00 0.00 H new ATOM 1465 N VAL A 96 -0.100 1.264 11.209 1.00 0.00 N ATOM 1466 CA VAL A 96 1.232 1.562 10.688 1.00 0.00 C ATOM 1467 C VAL A 96 1.282 2.921 9.986 1.00 0.00 C ATOM 1468 O VAL A 96 2.367 3.406 9.668 1.00 0.00 O ATOM 1469 CB VAL A 96 1.704 0.399 9.806 1.00 0.00 C ATOM 1470 CG1 VAL A 96 0.862 0.279 8.550 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.180 0.526 9.431 1.00 0.00 C ATOM 0 H VAL A 96 -0.833 1.222 10.501 1.00 0.00 H new ATOM 0 HA VAL A 96 1.933 1.653 11.518 1.00 0.00 H new ATOM 0 HB VAL A 96 1.581 -0.507 10.399 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.223 -0.555 7.948 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.178 0.104 8.825 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.935 1.201 7.974 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.471 -0.319 8.806 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.337 1.454 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.786 0.533 10.337 1.00 0.00 H new ATOM 1481 N LEU A 97 0.129 3.551 9.736 1.00 0.00 N ATOM 1482 CA LEU A 97 0.086 4.914 9.218 1.00 0.00 C ATOM 1483 C LEU A 97 0.729 5.887 10.211 1.00 0.00 C ATOM 1484 O LEU A 97 0.981 7.042 9.872 1.00 0.00 O ATOM 1485 CB LEU A 97 -1.369 5.315 8.948 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.669 5.574 7.468 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.913 6.802 6.964 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -1.309 4.369 6.600 1.00 0.00 C ATOM 0 H LEU A 97 -0.789 3.132 9.886 1.00 0.00 H new ATOM 0 HA LEU A 97 0.649 4.956 8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.028 4.526 9.311 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.602 6.213 9.520 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.741 5.752 7.389 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.143 6.964 5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.215 7.677 7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.159 6.643 7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.536 4.591 5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.246 4.152 6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.888 3.503 6.921 1.00 0.00 H new ATOM 1500 N LYS A 98 0.998 5.419 11.436 1.00 0.00 N ATOM 1501 CA LYS A 98 1.710 6.161 12.469 1.00 0.00 C ATOM 1502 C LYS A 98 3.199 6.301 12.131 1.00 0.00 C ATOM 1503 O LYS A 98 4.024 6.428 13.034 1.00 0.00 O ATOM 1504 CB LYS A 98 1.527 5.448 13.811 1.00 0.00 C ATOM 1505 CG LYS A 98 0.047 5.329 14.189 1.00 0.00 C ATOM 1506 CD LYS A 98 -0.684 6.675 14.220 1.00 0.00 C ATOM 1507 CE LYS A 98 0.001 7.668 15.161 1.00 0.00 C ATOM 1508 NZ LYS A 98 -0.047 7.213 16.563 1.00 0.00 N ATOM 0 H LYS A 98 0.716 4.487 11.739 1.00 0.00 H new ATOM 0 HA LYS A 98 1.296 7.168 12.529 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.971 4.454 13.759 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.059 5.994 14.590 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.450 4.670 13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.033 4.858 15.169 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.721 7.093 13.214 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.715 6.522 14.540 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.039 7.801 14.857 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.482 8.641 15.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.351 7.949 17.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.034 7.029 16.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.508 6.339 16.664 1.00 0.00 H new