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 -114:sc= 0.687 USER MOD Set 1.2: A 69 MET CE :methyl -173:sc= -0.618 (180deg=-0.792) USER MOD Set 2.1: A 29 ASN : amide:sc= 0.906 K(o=-1.1,f=-2.5) USER MOD Set 2.2: A 78 MET CE :methyl 162:sc= -1.99 (180deg=-3.23!) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 1.18 (180deg=0.963) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.337 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.136 X(o=-0.14,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= -0.0502 X(o=-0.05,f=-0.43) USER MOD Single : A 44 HIS : no HD1:sc= -0.303 K(o=-0.3,f=-0.84) USER MOD Single : A 63 SER OG : rot 180:sc=-0.00935 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 167:sc=-0.00847 (180deg=-0.164) USER MOD Single : A 73 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.16) USER MOD Single : A 77 SER OG : rot 52:sc= 0.927 USER MOD Single : A 80 HIS : no HD1:sc= -0.0634 X(o=-0.063,f=-0.063) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -145:sc= 0.0222 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc=0.000565 USER MOD Single : A 89 HIS : no HD1:sc= -0.535 K(o=-0.54,f=-1.4) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -158:sc= -0.0865 (180deg=-0.604) USER MOD Single : A 98 LYS NZ :NH3+ 155:sc= 1.13 (180deg=0.676) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -12.373 -3.456 2.228 1.00 0.00 N ATOM 127 CA PHE A 11 -12.283 -3.003 0.848 1.00 0.00 C ATOM 128 C PHE A 11 -11.080 -2.075 0.695 1.00 0.00 C ATOM 129 O PHE A 11 -11.171 -1.000 0.107 1.00 0.00 O ATOM 130 CB PHE A 11 -13.595 -2.338 0.440 1.00 0.00 C ATOM 131 CG PHE A 11 -14.838 -3.092 0.870 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.811 -4.484 1.062 1.00 0.00 C ATOM 133 CD2 PHE A 11 -16.033 -2.389 1.080 1.00 0.00 C ATOM 134 CE1 PHE A 11 -15.965 -5.161 1.475 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.190 -3.068 1.488 1.00 0.00 C ATOM 136 CZ PHE A 11 -17.156 -4.454 1.691 1.00 0.00 C ATOM 0 HA PHE A 11 -12.129 -3.848 0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.628 -1.335 0.865 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.610 -2.225 -0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.897 -5.033 0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.062 -1.320 0.927 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.937 -6.230 1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -18.108 -2.522 1.646 1.00 0.00 H new ATOM 0 HZ PHE A 11 -18.045 -4.976 2.013 1.00 0.00 H new ATOM 146 N VAL A 12 -9.943 -2.514 1.239 1.00 0.00 N ATOM 147 CA VAL A 12 -8.708 -1.750 1.284 1.00 0.00 C ATOM 148 C VAL A 12 -7.573 -2.671 0.855 1.00 0.00 C ATOM 149 O VAL A 12 -7.631 -3.876 1.097 1.00 0.00 O ATOM 150 CB VAL A 12 -8.484 -1.249 2.718 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.181 -0.463 2.851 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.638 -0.350 3.163 1.00 0.00 C ATOM 0 H VAL A 12 -9.860 -3.435 1.670 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.752 -0.888 0.618 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.430 -2.134 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.062 -0.127 3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.341 -1.102 2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.209 0.402 2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.459 -0.006 4.182 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.707 0.510 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.571 -0.912 3.128 1.00 0.00 H new ATOM 162 N VAL A 13 -6.541 -2.110 0.222 1.00 0.00 N ATOM 163 CA VAL A 13 -5.385 -2.895 -0.189 1.00 0.00 C ATOM 164 C VAL A 13 -4.082 -2.150 0.065 1.00 0.00 C ATOM 165 O VAL A 13 -4.057 -0.925 0.162 1.00 0.00 O ATOM 166 CB VAL A 13 -5.475 -3.280 -1.671 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.644 -4.234 -1.898 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.636 -2.057 -2.576 1.00 0.00 C ATOM 0 H VAL A 13 -6.486 -1.119 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.389 -3.802 0.415 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.537 -3.771 -1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.697 -4.500 -2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.498 -5.136 -1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.573 -3.749 -1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.695 -2.379 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.548 -1.524 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.779 -1.395 -2.449 1.00 0.00 H new ATOM 178 N LYS A 14 -2.997 -2.919 0.171 1.00 0.00 N ATOM 179 CA LYS A 14 -1.651 -2.388 0.315 1.00 0.00 C ATOM 180 C LYS A 14 -1.067 -2.161 -1.075 1.00 0.00 C ATOM 181 O LYS A 14 -1.521 -2.772 -2.041 1.00 0.00 O ATOM 182 CB LYS A 14 -0.772 -3.380 1.081 1.00 0.00 C ATOM 183 CG LYS A 14 -1.522 -4.019 2.252 1.00 0.00 C ATOM 184 CD LYS A 14 -0.555 -4.828 3.117 1.00 0.00 C ATOM 185 CE LYS A 14 -1.341 -5.672 4.120 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.437 -6.417 5.014 1.00 0.00 N ATOM 0 H LYS A 14 -3.034 -3.938 0.159 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.685 -1.450 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.427 -4.160 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.115 -2.867 1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.000 -3.246 2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.315 -4.666 1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.059 -5.472 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.124 -4.158 3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.991 -5.027 4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.985 -6.370 3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.992 -7.070 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.245 -6.959 4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.075 -5.749 5.625 1.00 0.00 H new ATOM 200 N LEU A 15 -0.066 -1.288 -1.181 1.00 0.00 N ATOM 201 CA LEU A 15 0.585 -0.988 -2.441 1.00 0.00 C ATOM 202 C LEU A 15 2.071 -0.743 -2.181 1.00 0.00 C ATOM 203 O LEU A 15 2.435 -0.129 -1.181 1.00 0.00 O ATOM 204 CB LEU A 15 -0.094 0.267 -2.993 1.00 0.00 C ATOM 205 CG LEU A 15 -0.158 0.374 -4.515 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.212 0.269 -5.179 1.00 0.00 C ATOM 207 CD2 LEU A 15 -1.076 -0.701 -5.090 1.00 0.00 C ATOM 0 H LEU A 15 0.313 -0.770 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 15 0.501 -1.805 -3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.111 0.309 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.432 1.141 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.556 1.365 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.100 0.352 -6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.854 1.073 -4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.662 -0.693 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.109 -0.609 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.696 -1.686 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.080 -0.577 -4.685 1.00 0.00 H new ATOM 219 N ARG A 16 2.930 -1.221 -3.082 1.00 0.00 N ATOM 220 CA ARG A 16 4.368 -1.016 -2.995 1.00 0.00 C ATOM 221 C ARG A 16 4.954 -1.117 -4.401 1.00 0.00 C ATOM 222 O ARG A 16 4.396 -1.810 -5.249 1.00 0.00 O ATOM 223 CB ARG A 16 4.966 -2.080 -2.067 1.00 0.00 C ATOM 224 CG ARG A 16 6.454 -1.821 -1.818 1.00 0.00 C ATOM 225 CD ARG A 16 6.995 -2.748 -0.728 1.00 0.00 C ATOM 226 NE ARG A 16 6.967 -4.151 -1.148 1.00 0.00 N ATOM 227 CZ ARG A 16 7.059 -5.191 -0.317 1.00 0.00 C ATOM 228 NH1 ARG A 16 7.180 -5.015 0.998 1.00 0.00 N ATOM 229 NH2 ARG A 16 7.027 -6.423 -0.811 1.00 0.00 N ATOM 0 H ARG A 16 2.641 -1.764 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 16 4.602 -0.033 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.430 -2.082 -1.118 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.835 -3.068 -2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.013 -1.974 -2.741 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.602 -0.782 -1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.018 -2.462 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.403 -2.628 0.179 1.00 0.00 H new ATOM 0 HE ARG A 16 6.871 -4.347 -2.144 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.204 -4.072 1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.249 -5.823 1.616 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.933 -6.567 -1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.097 -7.225 -0.185 1.00 0.00 H new ATOM 243 N GLY A 17 6.071 -0.438 -4.663 1.00 0.00 N ATOM 244 CA GLY A 17 6.737 -0.537 -5.954 1.00 0.00 C ATOM 245 C GLY A 17 7.236 0.814 -6.446 1.00 0.00 C ATOM 246 O GLY A 17 7.098 1.815 -5.745 1.00 0.00 O ATOM 0 H GLY A 17 6.530 0.184 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.577 -1.227 -5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.047 -0.957 -6.686 1.00 0.00 H new ATOM 250 N LEU A 18 7.812 0.820 -7.655 1.00 0.00 N ATOM 251 CA LEU A 18 8.391 2.002 -8.289 1.00 0.00 C ATOM 252 C LEU A 18 9.516 2.618 -7.451 1.00 0.00 C ATOM 253 O LEU A 18 9.685 2.257 -6.286 1.00 0.00 O ATOM 254 CB LEU A 18 7.279 3.029 -8.546 1.00 0.00 C ATOM 255 CG LEU A 18 6.138 2.471 -9.398 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.269 3.633 -9.871 1.00 0.00 C ATOM 257 CD2 LEU A 18 6.686 1.724 -10.610 1.00 0.00 C ATOM 0 H LEU A 18 7.888 -0.019 -8.230 1.00 0.00 H new ATOM 0 HA LEU A 18 8.840 1.698 -9.234 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.879 3.370 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.704 3.901 -9.043 1.00 0.00 H new ATOM 0 HG LEU A 18 5.552 1.774 -8.799 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.450 3.250 -10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.863 4.159 -9.007 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.872 4.321 -10.464 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.858 1.335 -11.203 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.280 2.405 -11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.312 0.897 -10.275 1.00 0.00 H new ATOM 269 N PRO A 19 10.299 3.549 -8.017 1.00 0.00 N ATOM 270 CA PRO A 19 11.221 4.349 -7.232 1.00 0.00 C ATOM 271 C PRO A 19 10.438 5.016 -6.112 1.00 0.00 C ATOM 272 O PRO A 19 9.290 5.411 -6.312 1.00 0.00 O ATOM 273 CB PRO A 19 11.859 5.340 -8.207 1.00 0.00 C ATOM 274 CG PRO A 19 10.920 5.337 -9.414 1.00 0.00 C ATOM 275 CD PRO A 19 10.367 3.916 -9.417 1.00 0.00 C ATOM 0 HA PRO A 19 12.013 3.771 -6.755 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.940 6.334 -7.768 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.867 5.032 -8.486 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.127 6.078 -9.310 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.451 5.565 -10.338 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.384 3.874 -9.886 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.015 3.239 -9.974 1.00 0.00 H new ATOM 283 N TRP A 20 11.060 5.136 -4.937 1.00 0.00 N ATOM 284 CA TRP A 20 10.390 5.644 -3.752 1.00 0.00 C ATOM 285 C TRP A 20 10.142 7.156 -3.831 1.00 0.00 C ATOM 286 O TRP A 20 10.725 7.939 -3.083 1.00 0.00 O ATOM 287 CB TRP A 20 11.127 5.210 -2.479 1.00 0.00 C ATOM 288 CG TRP A 20 12.611 5.026 -2.540 1.00 0.00 C ATOM 289 CD1 TRP A 20 13.539 5.996 -2.693 1.00 0.00 C ATOM 290 CD2 TRP A 20 13.361 3.778 -2.434 1.00 0.00 C ATOM 291 NE1 TRP A 20 14.803 5.437 -2.680 1.00 0.00 N ATOM 292 CE2 TRP A 20 14.752 4.070 -2.492 1.00 0.00 C ATOM 293 CE3 TRP A 20 13.000 2.429 -2.258 1.00 0.00 C ATOM 294 CZ2 TRP A 20 15.729 3.076 -2.354 1.00 0.00 C ATOM 295 CZ3 TRP A 20 13.973 1.436 -2.099 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.329 1.757 -2.149 1.00 0.00 C ATOM 0 H TRP A 20 12.037 4.884 -4.787 1.00 0.00 H new ATOM 0 HA TRP A 20 9.398 5.195 -3.705 1.00 0.00 H new ATOM 0 HB2 TRP A 20 10.916 5.949 -1.706 1.00 0.00 H new ATOM 0 HB3 TRP A 20 10.690 4.268 -2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 20 13.326 7.048 -2.808 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.666 5.968 -2.795 1.00 0.00 H new ATOM 0 HE3 TRP A 20 11.955 2.156 -2.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.778 3.328 -2.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.671 0.412 -1.936 1.00 0.00 H new ATOM 0 HH2 TRP A 20 16.071 0.982 -2.029 1.00 0.00 H new ATOM 307 N SER A 21 9.263 7.558 -4.755 1.00 0.00 N ATOM 308 CA SER A 21 8.844 8.937 -4.970 1.00 0.00 C ATOM 309 C SER A 21 7.460 8.976 -5.629 1.00 0.00 C ATOM 310 O SER A 21 7.063 9.999 -6.186 1.00 0.00 O ATOM 311 CB SER A 21 9.875 9.649 -5.849 1.00 0.00 C ATOM 312 OG SER A 21 9.994 8.993 -7.094 1.00 0.00 O ATOM 0 H SER A 21 8.811 6.904 -5.394 1.00 0.00 H new ATOM 0 HA SER A 21 8.778 9.448 -4.009 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.577 10.686 -6.004 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.842 9.667 -5.346 1.00 0.00 H new ATOM 0 HG SER A 21 10.655 9.459 -7.647 1.00 0.00 H new ATOM 318 N CYS A 22 6.728 7.857 -5.563 1.00 0.00 N ATOM 319 CA CYS A 22 5.425 7.674 -6.190 1.00 0.00 C ATOM 320 C CYS A 22 4.381 8.672 -5.667 1.00 0.00 C ATOM 321 O CYS A 22 4.625 9.392 -4.698 1.00 0.00 O ATOM 322 CB CYS A 22 4.995 6.226 -5.932 1.00 0.00 C ATOM 323 SG CYS A 22 3.571 5.785 -6.961 1.00 0.00 S ATOM 0 H CYS A 22 7.042 7.031 -5.054 1.00 0.00 H new ATOM 0 HA CYS A 22 5.501 7.867 -7.260 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.825 5.552 -6.144 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.742 6.099 -4.879 1.00 0.00 H new ATOM 0 HG CYS A 22 3.229 4.553 -6.724 1.00 0.00 H new ATOM 329 N SER A 23 3.209 8.712 -6.313 1.00 0.00 N ATOM 330 CA SER A 23 2.121 9.611 -5.947 1.00 0.00 C ATOM 331 C SER A 23 0.764 8.934 -6.127 1.00 0.00 C ATOM 332 O SER A 23 0.662 7.861 -6.723 1.00 0.00 O ATOM 333 CB SER A 23 2.182 10.881 -6.797 1.00 0.00 C ATOM 334 OG SER A 23 1.913 10.576 -8.149 1.00 0.00 O ATOM 0 H SER A 23 2.993 8.114 -7.110 1.00 0.00 H new ATOM 0 HA SER A 23 2.238 9.872 -4.895 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.458 11.608 -6.430 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.167 11.339 -6.709 1.00 0.00 H new ATOM 0 HG SER A 23 1.953 11.396 -8.684 1.00 0.00 H new ATOM 340 N VAL A 24 -0.286 9.575 -5.603 1.00 0.00 N ATOM 341 CA VAL A 24 -1.635 9.020 -5.584 1.00 0.00 C ATOM 342 C VAL A 24 -2.217 8.844 -6.984 1.00 0.00 C ATOM 343 O VAL A 24 -3.165 8.080 -7.154 1.00 0.00 O ATOM 344 CB VAL A 24 -2.569 9.887 -4.719 1.00 0.00 C ATOM 345 CG1 VAL A 24 -1.825 10.935 -3.892 1.00 0.00 C ATOM 346 CG2 VAL A 24 -3.623 10.636 -5.529 1.00 0.00 C ATOM 0 H VAL A 24 -0.219 10.500 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.559 8.027 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.047 9.158 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.541 11.511 -3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.123 10.439 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.279 11.604 -4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.246 11.227 -4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.131 11.297 -6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.245 9.920 -6.066 1.00 0.00 H new ATOM 356 N GLU A 25 -1.671 9.533 -7.989 1.00 0.00 N ATOM 357 CA GLU A 25 -2.211 9.444 -9.337 1.00 0.00 C ATOM 358 C GLU A 25 -1.677 8.217 -10.063 1.00 0.00 C ATOM 359 O GLU A 25 -2.358 7.689 -10.940 1.00 0.00 O ATOM 360 CB GLU A 25 -1.843 10.701 -10.124 1.00 0.00 C ATOM 361 CG GLU A 25 -2.493 11.939 -9.504 1.00 0.00 C ATOM 362 CD GLU A 25 -2.176 13.186 -10.328 1.00 0.00 C ATOM 363 OE1 GLU A 25 -2.958 13.478 -11.261 1.00 0.00 O ATOM 364 OE2 GLU A 25 -1.154 13.838 -10.019 1.00 0.00 O ATOM 0 H GLU A 25 -0.865 10.150 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.295 9.356 -9.263 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.760 10.822 -10.139 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.166 10.595 -11.160 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.573 11.799 -9.448 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.135 12.071 -8.483 1.00 0.00 H new ATOM 371 N ASP A 26 -0.472 7.755 -9.715 1.00 0.00 N ATOM 372 CA ASP A 26 0.096 6.578 -10.352 1.00 0.00 C ATOM 373 C ASP A 26 -0.537 5.318 -9.776 1.00 0.00 C ATOM 374 O ASP A 26 -0.776 4.357 -10.505 1.00 0.00 O ATOM 375 CB ASP A 26 1.610 6.550 -10.129 1.00 0.00 C ATOM 376 CG ASP A 26 2.320 7.707 -10.833 1.00 0.00 C ATOM 377 OD1 ASP A 26 1.908 8.042 -11.965 1.00 0.00 O ATOM 378 OD2 ASP A 26 3.273 8.248 -10.230 1.00 0.00 O ATOM 0 H ASP A 26 0.120 8.179 -9.001 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.107 6.618 -11.422 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.819 6.595 -9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.012 5.604 -10.493 1.00 0.00 H new ATOM 383 N VAL A 27 -0.812 5.313 -8.468 1.00 0.00 N ATOM 384 CA VAL A 27 -1.409 4.163 -7.813 1.00 0.00 C ATOM 385 C VAL A 27 -2.831 3.921 -8.316 1.00 0.00 C ATOM 386 O VAL A 27 -3.199 2.773 -8.552 1.00 0.00 O ATOM 387 CB VAL A 27 -1.351 4.353 -6.292 1.00 0.00 C ATOM 388 CG1 VAL A 27 0.104 4.305 -5.825 1.00 0.00 C ATOM 389 CG2 VAL A 27 -1.961 5.673 -5.851 1.00 0.00 C ATOM 0 H VAL A 27 -0.627 6.100 -7.846 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.840 3.268 -8.063 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.931 3.546 -5.844 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.144 4.440 -4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.538 3.340 -6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.669 5.101 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.896 5.760 -4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.419 6.497 -6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.007 5.710 -6.155 1.00 0.00 H new ATOM 399 N GLN A 28 -3.647 4.968 -8.490 1.00 0.00 N ATOM 400 CA GLN A 28 -4.996 4.764 -9.001 1.00 0.00 C ATOM 401 C GLN A 28 -4.984 4.489 -10.505 1.00 0.00 C ATOM 402 O GLN A 28 -5.939 3.923 -11.034 1.00 0.00 O ATOM 403 CB GLN A 28 -5.888 5.957 -8.659 1.00 0.00 C ATOM 404 CG GLN A 28 -5.419 7.260 -9.298 1.00 0.00 C ATOM 405 CD GLN A 28 -6.296 8.410 -8.822 1.00 0.00 C ATOM 406 OE1 GLN A 28 -7.179 8.872 -9.541 1.00 0.00 O ATOM 407 NE2 GLN A 28 -6.060 8.884 -7.601 1.00 0.00 N ATOM 0 H GLN A 28 -3.401 5.937 -8.289 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.413 3.882 -8.514 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.907 5.746 -8.985 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.919 6.081 -7.577 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.378 7.451 -9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.465 7.181 -10.384 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.319 8.477 -7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.620 9.654 -7.236 1.00 0.00 H new ATOM 416 N ASN A 29 -3.910 4.883 -11.201 1.00 0.00 N ATOM 417 CA ASN A 29 -3.746 4.582 -12.617 1.00 0.00 C ATOM 418 C ASN A 29 -3.488 3.089 -12.835 1.00 0.00 C ATOM 419 O ASN A 29 -3.823 2.555 -13.890 1.00 0.00 O ATOM 420 CB ASN A 29 -2.584 5.419 -13.165 1.00 0.00 C ATOM 421 CG ASN A 29 -1.604 4.601 -13.995 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.703 4.538 -15.217 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.647 3.969 -13.320 1.00 0.00 N ATOM 0 H ASN A 29 -3.139 5.415 -10.797 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.663 4.833 -13.149 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.983 6.229 -13.776 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.051 5.880 -12.333 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.041 3.405 -13.819 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.602 4.049 -12.304 1.00 0.00 H new ATOM 430 N PHE A 30 -2.896 2.415 -11.846 1.00 0.00 N ATOM 431 CA PHE A 30 -2.522 1.015 -11.982 1.00 0.00 C ATOM 432 C PHE A 30 -3.685 0.079 -11.659 1.00 0.00 C ATOM 433 O PHE A 30 -3.802 -0.985 -12.264 1.00 0.00 O ATOM 434 CB PHE A 30 -1.337 0.757 -11.060 1.00 0.00 C ATOM 435 CG PHE A 30 -0.964 -0.698 -10.929 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.272 -1.347 -11.961 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.313 -1.399 -9.768 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.080 -2.696 -11.824 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.973 -2.750 -9.637 1.00 0.00 C ATOM 440 CZ PHE A 30 -0.267 -3.395 -10.661 1.00 0.00 C ATOM 0 H PHE A 30 -2.667 2.823 -10.940 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.248 0.811 -13.017 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.474 1.310 -11.431 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.567 1.152 -10.071 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.011 -0.808 -12.860 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.845 -0.897 -8.973 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.619 -3.197 -12.615 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.254 -3.295 -8.748 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.010 -4.433 -10.553 1.00 0.00 H new ATOM 450 N LEU A 31 -4.548 0.461 -10.713 1.00 0.00 N ATOM 451 CA LEU A 31 -5.761 -0.291 -10.420 1.00 0.00 C ATOM 452 C LEU A 31 -6.867 0.210 -11.354 1.00 0.00 C ATOM 453 O LEU A 31 -7.957 0.564 -10.911 1.00 0.00 O ATOM 454 CB LEU A 31 -6.147 -0.173 -8.937 1.00 0.00 C ATOM 455 CG LEU A 31 -5.170 -0.840 -7.960 1.00 0.00 C ATOM 456 CD1 LEU A 31 -4.593 -2.138 -8.518 1.00 0.00 C ATOM 457 CD2 LEU A 31 -4.039 0.108 -7.590 1.00 0.00 C ATOM 0 H LEU A 31 -4.423 1.293 -10.136 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.599 -1.354 -10.598 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.230 0.883 -8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.135 -0.613 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.742 -1.084 -7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.907 -2.573 -7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.403 -2.840 -8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.056 -1.929 -9.443 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.360 -0.389 -6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.494 0.393 -8.490 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.451 1.000 -7.118 1.00 0.00 H new ATOM 469 N SER A 32 -6.563 0.231 -12.658 1.00 0.00 N ATOM 470 CA SER A 32 -7.402 0.763 -13.726 1.00 0.00 C ATOM 471 C SER A 32 -8.746 0.050 -13.906 1.00 0.00 C ATOM 472 O SER A 32 -9.461 0.335 -14.867 1.00 0.00 O ATOM 473 CB SER A 32 -6.610 0.714 -15.033 1.00 0.00 C ATOM 474 OG SER A 32 -6.262 -0.619 -15.351 1.00 0.00 O ATOM 0 H SER A 32 -5.681 -0.142 -13.008 1.00 0.00 H new ATOM 0 HA SER A 32 -7.658 1.784 -13.442 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.203 1.144 -15.841 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.708 1.320 -14.942 1.00 0.00 H new ATOM 0 HG SER A 32 -5.757 -0.634 -16.191 1.00 0.00 H new ATOM 480 N ASP A 33 -9.102 -0.869 -13.006 1.00 0.00 N ATOM 481 CA ASP A 33 -10.372 -1.583 -13.064 1.00 0.00 C ATOM 482 C ASP A 33 -11.159 -1.377 -11.773 1.00 0.00 C ATOM 483 O ASP A 33 -12.255 -1.911 -11.623 1.00 0.00 O ATOM 484 CB ASP A 33 -10.129 -3.078 -13.279 1.00 0.00 C ATOM 485 CG ASP A 33 -9.165 -3.347 -14.429 1.00 0.00 C ATOM 486 OD1 ASP A 33 -9.596 -3.207 -15.595 1.00 0.00 O ATOM 487 OD2 ASP A 33 -7.999 -3.690 -14.128 1.00 0.00 O ATOM 0 H ASP A 33 -8.514 -1.137 -12.217 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.949 -1.187 -13.900 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.730 -3.514 -12.363 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.079 -3.573 -13.480 1.00 0.00 H new ATOM 492 N CYS A 34 -10.596 -0.602 -10.844 1.00 0.00 N ATOM 493 CA CYS A 34 -11.132 -0.421 -9.509 1.00 0.00 C ATOM 494 C CYS A 34 -11.644 1.005 -9.319 1.00 0.00 C ATOM 495 O CYS A 34 -11.661 1.803 -10.258 1.00 0.00 O ATOM 496 CB CYS A 34 -10.021 -0.738 -8.507 1.00 0.00 C ATOM 497 SG CYS A 34 -9.457 -2.442 -8.764 1.00 0.00 S ATOM 0 H CYS A 34 -9.738 -0.076 -11.010 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.978 -1.090 -9.352 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.190 -0.044 -8.635 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.387 -0.613 -7.488 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.755 -3.160 -7.722 1.00 0.00 H new ATOM 503 N THR A 35 -12.063 1.324 -8.092 1.00 0.00 N ATOM 504 CA THR A 35 -12.587 2.627 -7.732 1.00 0.00 C ATOM 505 C THR A 35 -12.046 2.994 -6.362 1.00 0.00 C ATOM 506 O THR A 35 -12.080 2.189 -5.433 1.00 0.00 O ATOM 507 CB THR A 35 -14.117 2.575 -7.708 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.613 2.351 -9.010 1.00 0.00 O ATOM 509 CG2 THR A 35 -14.698 3.882 -7.177 1.00 0.00 C ATOM 0 H THR A 35 -12.044 0.666 -7.313 1.00 0.00 H new ATOM 0 HA THR A 35 -12.281 3.378 -8.460 1.00 0.00 H new ATOM 0 HB THR A 35 -14.415 1.759 -7.050 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.592 2.317 -8.986 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.786 3.820 -7.170 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.338 4.055 -6.163 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.386 4.706 -7.818 1.00 0.00 H new ATOM 517 N ILE A 36 -11.545 4.223 -6.252 1.00 0.00 N ATOM 518 CA ILE A 36 -10.913 4.717 -5.043 1.00 0.00 C ATOM 519 C ILE A 36 -11.993 5.199 -4.082 1.00 0.00 C ATOM 520 O ILE A 36 -12.982 5.798 -4.501 1.00 0.00 O ATOM 521 CB ILE A 36 -9.951 5.855 -5.412 1.00 0.00 C ATOM 522 CG1 ILE A 36 -9.218 5.610 -6.739 1.00 0.00 C ATOM 523 CG2 ILE A 36 -8.933 6.046 -4.285 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.288 4.405 -6.686 1.00 0.00 C ATOM 0 H ILE A 36 -11.570 4.905 -7.010 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.343 3.927 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.550 6.756 -5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.951 5.463 -7.532 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.641 6.497 -6.999 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.249 6.854 -4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.455 6.296 -3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.369 5.124 -4.144 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.798 4.281 -7.652 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.535 4.560 -5.914 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.865 3.510 -6.455 1.00 0.00 H new ATOM 536 N HIS A 37 -11.795 4.931 -2.791 1.00 0.00 N ATOM 537 CA HIS A 37 -12.732 5.290 -1.737 1.00 0.00 C ATOM 538 C HIS A 37 -13.178 6.757 -1.792 1.00 0.00 C ATOM 539 O HIS A 37 -14.331 7.048 -1.479 1.00 0.00 O ATOM 540 CB HIS A 37 -12.071 4.936 -0.415 1.00 0.00 C ATOM 541 CG HIS A 37 -12.996 5.048 0.763 1.00 0.00 C ATOM 542 ND1 HIS A 37 -13.738 4.032 1.317 1.00 0.00 N ATOM 543 CD2 HIS A 37 -13.254 6.180 1.484 1.00 0.00 C ATOM 544 CE1 HIS A 37 -14.424 4.545 2.354 1.00 0.00 C ATOM 545 NE2 HIS A 37 -14.163 5.857 2.499 1.00 0.00 N ATOM 0 H HIS A 37 -10.964 4.450 -2.447 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.658 4.730 -1.866 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.687 3.917 -0.471 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.214 5.592 -0.259 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.764 3.063 0.999 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.830 7.156 1.302 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.094 3.980 2.985 1.00 0.00 H new ATOM 553 N ASP A 38 -12.288 7.678 -2.184 1.00 0.00 N ATOM 554 CA ASP A 38 -12.638 9.081 -2.406 1.00 0.00 C ATOM 555 C ASP A 38 -11.745 9.728 -3.469 1.00 0.00 C ATOM 556 O ASP A 38 -11.891 10.917 -3.748 1.00 0.00 O ATOM 557 CB ASP A 38 -12.505 9.895 -1.112 1.00 0.00 C ATOM 558 CG ASP A 38 -13.651 9.670 -0.129 1.00 0.00 C ATOM 559 OD1 ASP A 38 -14.817 9.800 -0.560 1.00 0.00 O ATOM 560 OD2 ASP A 38 -13.351 9.371 1.048 1.00 0.00 O ATOM 0 H ASP A 38 -11.305 7.468 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.673 9.088 -2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.564 9.638 -0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.455 10.955 -1.363 1.00 0.00 H new ATOM 565 N GLY A 39 -10.820 8.971 -4.069 1.00 0.00 N ATOM 566 CA GLY A 39 -9.865 9.529 -5.010 1.00 0.00 C ATOM 567 C GLY A 39 -8.573 9.846 -4.270 1.00 0.00 C ATOM 568 O GLY A 39 -8.073 9.028 -3.500 1.00 0.00 O ATOM 0 H GLY A 39 -10.719 7.968 -3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.674 8.822 -5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.269 10.432 -5.467 1.00 0.00 H new ATOM 572 N ALA A 40 -8.031 11.042 -4.504 1.00 0.00 N ATOM 573 CA ALA A 40 -6.839 11.518 -3.818 1.00 0.00 C ATOM 574 C ALA A 40 -7.067 11.687 -2.310 1.00 0.00 C ATOM 575 O ALA A 40 -6.166 12.117 -1.593 1.00 0.00 O ATOM 576 CB ALA A 40 -6.398 12.829 -4.462 1.00 0.00 C ATOM 0 H ALA A 40 -8.411 11.707 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.051 10.772 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.505 13.199 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.177 12.660 -5.516 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.197 13.565 -4.372 1.00 0.00 H new ATOM 582 N ALA A 41 -8.269 11.350 -1.832 1.00 0.00 N ATOM 583 CA ALA A 41 -8.632 11.381 -0.422 1.00 0.00 C ATOM 584 C ALA A 41 -8.810 9.958 0.115 1.00 0.00 C ATOM 585 O ALA A 41 -9.411 9.754 1.167 1.00 0.00 O ATOM 586 CB ALA A 41 -9.894 12.224 -0.249 1.00 0.00 C ATOM 0 H ALA A 41 -9.032 11.041 -2.435 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.833 11.841 0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.172 12.251 0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.705 13.238 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.707 11.785 -0.827 1.00 0.00 H new ATOM 592 N GLY A 42 -8.279 8.975 -0.621 1.00 0.00 N ATOM 593 CA GLY A 42 -8.343 7.566 -0.268 1.00 0.00 C ATOM 594 C GLY A 42 -6.983 6.896 -0.462 1.00 0.00 C ATOM 595 O GLY A 42 -6.918 5.695 -0.717 1.00 0.00 O ATOM 0 H GLY A 42 -7.784 9.148 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.661 7.460 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.091 7.066 -0.883 1.00 0.00 H new ATOM 599 N VAL A 43 -5.900 7.671 -0.341 1.00 0.00 N ATOM 600 CA VAL A 43 -4.542 7.175 -0.518 1.00 0.00 C ATOM 601 C VAL A 43 -3.747 7.345 0.775 1.00 0.00 C ATOM 602 O VAL A 43 -4.132 8.121 1.648 1.00 0.00 O ATOM 603 CB VAL A 43 -3.849 7.940 -1.658 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.342 9.289 -1.143 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.684 7.112 -2.203 1.00 0.00 C ATOM 0 H VAL A 43 -5.947 8.665 -0.116 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.585 6.116 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.564 8.115 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.852 9.827 -1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.182 9.877 -0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.630 9.125 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.196 7.658 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.965 6.926 -1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.059 6.162 -2.583 1.00 0.00 H new ATOM 615 N HIS A 44 -2.636 6.614 0.890 1.00 0.00 N ATOM 616 CA HIS A 44 -1.693 6.754 1.988 1.00 0.00 C ATOM 617 C HIS A 44 -0.295 6.376 1.509 1.00 0.00 C ATOM 618 O HIS A 44 -0.155 5.670 0.514 1.00 0.00 O ATOM 619 CB HIS A 44 -2.078 5.819 3.132 1.00 0.00 C ATOM 620 CG HIS A 44 -3.370 6.170 3.813 1.00 0.00 C ATOM 621 ND1 HIS A 44 -3.523 7.052 4.856 1.00 0.00 N ATOM 622 CD2 HIS A 44 -4.610 5.672 3.516 1.00 0.00 C ATOM 623 CE1 HIS A 44 -4.825 7.071 5.186 1.00 0.00 C ATOM 624 NE2 HIS A 44 -5.537 6.254 4.389 1.00 0.00 N ATOM 0 H HIS A 44 -2.368 5.901 0.212 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.710 7.788 2.334 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.150 4.802 2.745 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.278 5.823 3.873 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.835 4.954 2.741 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.245 7.664 5.985 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.544 6.092 4.415 1.00 0.00 H new ATOM 632 N PHE A 45 0.734 6.846 2.218 1.00 0.00 N ATOM 633 CA PHE A 45 2.123 6.521 1.932 1.00 0.00 C ATOM 634 C PHE A 45 2.897 6.497 3.244 1.00 0.00 C ATOM 635 O PHE A 45 2.619 7.297 4.136 1.00 0.00 O ATOM 636 CB PHE A 45 2.712 7.572 0.989 1.00 0.00 C ATOM 637 CG PHE A 45 2.166 7.494 -0.419 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.771 6.651 -1.362 1.00 0.00 C ATOM 639 CD2 PHE A 45 1.051 8.262 -0.781 1.00 0.00 C ATOM 640 CE1 PHE A 45 2.251 6.562 -2.662 1.00 0.00 C ATOM 641 CE2 PHE A 45 0.532 8.170 -2.080 1.00 0.00 C ATOM 642 CZ PHE A 45 1.125 7.316 -3.018 1.00 0.00 C ATOM 0 H PHE A 45 0.619 7.471 3.016 1.00 0.00 H new ATOM 0 HA PHE A 45 2.190 5.545 1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.512 8.564 1.393 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.795 7.454 0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.639 6.069 -1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.593 8.923 -0.061 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.718 5.913 -3.388 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.329 8.760 -2.358 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.715 7.239 -4.014 1.00 0.00 H new ATOM 652 N ILE A 46 3.866 5.586 3.372 1.00 0.00 N ATOM 653 CA ILE A 46 4.605 5.448 4.619 1.00 0.00 C ATOM 654 C ILE A 46 5.864 6.309 4.565 1.00 0.00 C ATOM 655 O ILE A 46 6.494 6.430 3.513 1.00 0.00 O ATOM 656 CB ILE A 46 4.994 3.988 4.888 1.00 0.00 C ATOM 657 CG1 ILE A 46 4.065 2.954 4.241 1.00 0.00 C ATOM 658 CG2 ILE A 46 5.052 3.768 6.402 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.599 3.039 4.644 1.00 0.00 C ATOM 0 H ILE A 46 4.151 4.942 2.634 1.00 0.00 H new ATOM 0 HA ILE A 46 3.958 5.779 5.431 1.00 0.00 H new ATOM 0 HB ILE A 46 5.968 3.830 4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.132 3.060 3.158 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.433 1.958 4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.327 2.734 6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.795 4.436 6.839 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.075 3.977 6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.034 2.263 4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.509 2.898 5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.203 4.017 4.372 1.00 0.00 H new ATOM 826 N ALA A 57 2.730 2.074 0.472 1.00 0.00 N ATOM 827 CA ALA A 57 1.463 2.781 0.500 1.00 0.00 C ATOM 828 C ALA A 57 0.276 1.854 0.757 1.00 0.00 C ATOM 829 O ALA A 57 0.426 0.646 0.938 1.00 0.00 O ATOM 830 CB ALA A 57 1.301 3.442 -0.872 1.00 0.00 C ATOM 0 HA ALA A 57 1.473 3.504 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.359 3.989 -0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.127 4.132 -1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.301 2.676 -1.647 1.00 0.00 H new ATOM 836 N PHE A 58 -0.914 2.458 0.768 1.00 0.00 N ATOM 837 CA PHE A 58 -2.193 1.773 0.846 1.00 0.00 C ATOM 838 C PHE A 58 -3.174 2.524 -0.050 1.00 0.00 C ATOM 839 O PHE A 58 -2.958 3.694 -0.368 1.00 0.00 O ATOM 840 CB PHE A 58 -2.743 1.781 2.276 1.00 0.00 C ATOM 841 CG PHE A 58 -1.948 1.020 3.309 1.00 0.00 C ATOM 842 CD1 PHE A 58 -0.912 1.659 4.001 1.00 0.00 C ATOM 843 CD2 PHE A 58 -2.257 -0.319 3.587 1.00 0.00 C ATOM 844 CE1 PHE A 58 -0.221 0.975 5.009 1.00 0.00 C ATOM 845 CE2 PHE A 58 -1.552 -1.008 4.584 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.538 -0.360 5.299 1.00 0.00 C ATOM 0 H PHE A 58 -1.010 3.472 0.721 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.063 0.737 0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.825 2.817 2.604 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.753 1.373 2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.646 2.677 3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.038 -0.819 3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.558 1.477 5.564 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.791 -2.039 4.800 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.000 -0.887 6.073 1.00 0.00 H new ATOM 856 N VAL A 59 -4.252 1.852 -0.454 1.00 0.00 N ATOM 857 CA VAL A 59 -5.280 2.454 -1.284 1.00 0.00 C ATOM 858 C VAL A 59 -6.634 1.933 -0.826 1.00 0.00 C ATOM 859 O VAL A 59 -6.905 0.733 -0.895 1.00 0.00 O ATOM 860 CB VAL A 59 -5.043 2.121 -2.763 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.131 2.760 -3.628 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.689 2.653 -3.236 1.00 0.00 C ATOM 0 H VAL A 59 -4.431 0.877 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.249 3.539 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.065 1.036 -2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.953 2.517 -4.675 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.106 2.377 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.110 3.842 -3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.547 2.403 -4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.661 3.736 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.893 2.200 -2.645 1.00 0.00 H new ATOM 872 N GLU A 60 -7.488 2.841 -0.357 1.00 0.00 N ATOM 873 CA GLU A 60 -8.840 2.496 0.043 1.00 0.00 C ATOM 874 C GLU A 60 -9.711 2.430 -1.209 1.00 0.00 C ATOM 875 O GLU A 60 -9.470 3.158 -2.173 1.00 0.00 O ATOM 876 CB GLU A 60 -9.372 3.557 1.008 1.00 0.00 C ATOM 877 CG GLU A 60 -8.510 3.646 2.269 1.00 0.00 C ATOM 878 CD GLU A 60 -9.072 4.682 3.240 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.129 5.869 2.850 1.00 0.00 O ATOM 880 OE2 GLU A 60 -9.441 4.279 4.365 1.00 0.00 O ATOM 0 H GLU A 60 -7.259 3.829 -0.246 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.854 1.530 0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.393 4.526 0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.399 3.318 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.468 2.671 2.755 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.488 3.912 1.998 1.00 0.00 H new ATOM 887 N LEU A 61 -10.725 1.562 -1.201 1.00 0.00 N ATOM 888 CA LEU A 61 -11.594 1.378 -2.357 1.00 0.00 C ATOM 889 C LEU A 61 -13.061 1.530 -1.976 1.00 0.00 C ATOM 890 O LEU A 61 -13.392 1.893 -0.847 1.00 0.00 O ATOM 891 CB LEU A 61 -11.368 -0.010 -2.957 1.00 0.00 C ATOM 892 CG LEU A 61 -9.886 -0.349 -3.144 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.747 -1.855 -3.310 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.338 0.341 -4.391 1.00 0.00 C ATOM 0 H LEU A 61 -10.962 0.975 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.347 2.146 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.827 -0.758 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.873 -0.069 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.326 -0.006 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.696 -2.111 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.132 -2.356 -2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.313 -2.179 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.284 0.091 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.893 0.004 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.445 1.421 -4.286 1.00 0.00 H new ATOM 906 N GLY A 62 -13.945 1.249 -2.935 1.00 0.00 N ATOM 907 CA GLY A 62 -15.372 1.440 -2.760 1.00 0.00 C ATOM 908 C GLY A 62 -16.111 0.168 -2.346 1.00 0.00 C ATOM 909 O GLY A 62 -17.092 0.260 -1.608 1.00 0.00 O ATOM 0 H GLY A 62 -13.685 0.883 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.538 2.209 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.798 1.811 -3.692 1.00 0.00 H new ATOM 913 N SER A 63 -15.662 -1.007 -2.802 1.00 0.00 N ATOM 914 CA SER A 63 -16.360 -2.257 -2.516 1.00 0.00 C ATOM 915 C SER A 63 -15.409 -3.449 -2.502 1.00 0.00 C ATOM 916 O SER A 63 -14.251 -3.343 -2.906 1.00 0.00 O ATOM 917 CB SER A 63 -17.428 -2.502 -3.587 1.00 0.00 C ATOM 918 OG SER A 63 -18.392 -1.471 -3.587 1.00 0.00 O ATOM 0 H SER A 63 -14.821 -1.114 -3.369 1.00 0.00 H new ATOM 0 HA SER A 63 -16.811 -2.162 -1.528 1.00 0.00 H new ATOM 0 HB2 SER A 63 -16.957 -2.564 -4.568 1.00 0.00 H new ATOM 0 HB3 SER A 63 -17.915 -3.460 -3.407 1.00 0.00 H new ATOM 0 HG SER A 63 -19.062 -1.649 -4.280 1.00 0.00 H new ATOM 924 N GLU A 64 -15.910 -4.594 -2.030 1.00 0.00 N ATOM 925 CA GLU A 64 -15.157 -5.841 -2.008 1.00 0.00 C ATOM 926 C GLU A 64 -14.766 -6.259 -3.422 1.00 0.00 C ATOM 927 O GLU A 64 -13.768 -6.948 -3.618 1.00 0.00 O ATOM 928 CB GLU A 64 -16.035 -6.926 -1.386 1.00 0.00 C ATOM 929 CG GLU A 64 -15.330 -8.281 -1.318 1.00 0.00 C ATOM 930 CD GLU A 64 -14.042 -8.268 -0.492 1.00 0.00 C ATOM 931 OE1 GLU A 64 -13.988 -7.507 0.498 1.00 0.00 O ATOM 932 OE2 GLU A 64 -13.116 -9.027 -0.859 1.00 0.00 O ATOM 0 H GLU A 64 -16.854 -4.677 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.247 -5.701 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.327 -6.621 -0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.951 -7.025 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.015 -9.015 -0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -15.097 -8.610 -2.331 1.00 0.00 H new ATOM 939 N ASP A 65 -15.545 -5.852 -4.425 1.00 0.00 N ATOM 940 CA ASP A 65 -15.230 -6.230 -5.786 1.00 0.00 C ATOM 941 C ASP A 65 -13.978 -5.493 -6.265 1.00 0.00 C ATOM 942 O ASP A 65 -13.256 -5.993 -7.126 1.00 0.00 O ATOM 943 CB ASP A 65 -16.426 -5.910 -6.679 1.00 0.00 C ATOM 944 CG ASP A 65 -16.227 -6.434 -8.100 1.00 0.00 C ATOM 945 OD1 ASP A 65 -16.008 -7.658 -8.239 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.297 -5.606 -9.036 1.00 0.00 O ATOM 0 H ASP A 65 -16.378 -5.274 -4.317 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.025 -7.299 -5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.327 -6.350 -6.252 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.581 -4.831 -6.707 1.00 0.00 H new ATOM 951 N ASP A 66 -13.712 -4.304 -5.712 1.00 0.00 N ATOM 952 CA ASP A 66 -12.554 -3.514 -6.087 1.00 0.00 C ATOM 953 C ASP A 66 -11.291 -4.086 -5.451 1.00 0.00 C ATOM 954 O ASP A 66 -10.232 -4.065 -6.073 1.00 0.00 O ATOM 955 CB ASP A 66 -12.763 -2.073 -5.626 1.00 0.00 C ATOM 956 CG ASP A 66 -13.924 -1.408 -6.358 1.00 0.00 C ATOM 957 OD1 ASP A 66 -13.828 -1.287 -7.600 1.00 0.00 O ATOM 958 OD2 ASP A 66 -14.894 -1.027 -5.668 1.00 0.00 O ATOM 0 H ASP A 66 -14.296 -3.872 -4.996 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.436 -3.541 -7.170 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -12.954 -2.059 -4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.851 -1.501 -5.795 1.00 0.00 H new ATOM 963 N VAL A 67 -11.380 -4.599 -4.217 1.00 0.00 N ATOM 964 CA VAL A 67 -10.208 -5.179 -3.574 1.00 0.00 C ATOM 965 C VAL A 67 -9.830 -6.473 -4.278 1.00 0.00 C ATOM 966 O VAL A 67 -8.647 -6.739 -4.465 1.00 0.00 O ATOM 967 CB VAL A 67 -10.417 -5.369 -2.062 1.00 0.00 C ATOM 968 CG1 VAL A 67 -11.827 -5.791 -1.684 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.456 -6.399 -1.477 1.00 0.00 C ATOM 0 H VAL A 67 -12.234 -4.622 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.374 -4.484 -3.669 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.224 -4.381 -1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.895 -5.905 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.535 -5.031 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.064 -6.741 -2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.639 -6.501 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.612 -7.361 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.429 -6.072 -1.640 1.00 0.00 H new ATOM 979 N LYS A 68 -10.809 -7.288 -4.677 1.00 0.00 N ATOM 980 CA LYS A 68 -10.513 -8.498 -5.425 1.00 0.00 C ATOM 981 C LYS A 68 -9.816 -8.157 -6.740 1.00 0.00 C ATOM 982 O LYS A 68 -8.826 -8.791 -7.103 1.00 0.00 O ATOM 983 CB LYS A 68 -11.819 -9.249 -5.681 1.00 0.00 C ATOM 984 CG LYS A 68 -12.338 -9.862 -4.381 1.00 0.00 C ATOM 985 CD LYS A 68 -13.684 -10.537 -4.632 1.00 0.00 C ATOM 986 CE LYS A 68 -14.180 -11.187 -3.343 1.00 0.00 C ATOM 987 NZ LYS A 68 -15.485 -11.846 -3.545 1.00 0.00 N ATOM 0 H LYS A 68 -11.800 -7.130 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.838 -9.131 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.564 -8.568 -6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.658 -10.032 -6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.621 -10.589 -3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.444 -9.089 -3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.410 -9.804 -4.984 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.585 -11.289 -5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.450 -11.919 -2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.268 -10.431 -2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.797 -12.279 -2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.186 -11.142 -3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.393 -12.583 -4.273 1.00 0.00 H new ATOM 1001 N MET A 69 -10.325 -7.154 -7.459 1.00 0.00 N ATOM 1002 CA MET A 69 -9.749 -6.750 -8.732 1.00 0.00 C ATOM 1003 C MET A 69 -8.370 -6.122 -8.558 1.00 0.00 C ATOM 1004 O MET A 69 -7.568 -6.153 -9.489 1.00 0.00 O ATOM 1005 CB MET A 69 -10.687 -5.766 -9.426 1.00 0.00 C ATOM 1006 CG MET A 69 -11.868 -6.517 -10.039 1.00 0.00 C ATOM 1007 SD MET A 69 -12.909 -5.521 -11.136 1.00 0.00 S ATOM 1008 CE MET A 69 -13.278 -4.143 -10.022 1.00 0.00 C ATOM 0 H MET A 69 -11.138 -6.608 -7.175 1.00 0.00 H new ATOM 0 HA MET A 69 -9.627 -7.643 -9.345 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.047 -5.027 -8.710 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.148 -5.222 -10.202 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.487 -7.371 -10.598 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.487 -6.913 -9.234 1.00 0.00 H new ATOM 0 HE1 MET A 69 -14.014 -3.486 -10.487 1.00 0.00 H new ATOM 0 HE2 MET A 69 -13.678 -4.530 -9.085 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.365 -3.582 -9.823 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.079 -5.554 -7.386 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.771 -4.985 -7.109 1.00 0.00 C ATOM 1020 C ALA A 70 -5.720 -6.083 -6.923 1.00 0.00 C ATOM 1021 O ALA A 70 -4.542 -5.871 -7.199 1.00 0.00 O ATOM 1022 CB ALA A 70 -6.860 -4.116 -5.857 1.00 0.00 C ATOM 0 H ALA A 70 -8.740 -5.479 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.463 -4.375 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.882 -3.685 -5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.581 -3.315 -6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.181 -4.726 -5.013 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.144 -7.259 -6.452 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.261 -8.391 -6.210 1.00 0.00 C ATOM 1030 C LEU A 71 -4.956 -9.167 -7.493 1.00 0.00 C ATOM 1031 O LEU A 71 -4.030 -9.974 -7.520 1.00 0.00 O ATOM 1032 CB LEU A 71 -5.917 -9.298 -5.169 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.135 -8.522 -3.865 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.039 -9.311 -2.926 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.811 -8.220 -3.176 1.00 0.00 C ATOM 0 H LEU A 71 -7.121 -7.448 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.305 -8.022 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.870 -9.669 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.288 -10.168 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.614 -7.576 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.185 -8.748 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.003 -9.479 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.576 -10.270 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.998 -7.669 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.301 -9.155 -2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.185 -7.620 -3.837 1.00 0.00 H new ATOM 1047 N LYS A 72 -5.727 -8.931 -8.561 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.479 -9.554 -9.862 1.00 0.00 C ATOM 1049 C LYS A 72 -4.195 -9.065 -10.540 1.00 0.00 C ATOM 1050 O LYS A 72 -3.834 -9.574 -11.600 1.00 0.00 O ATOM 1051 CB LYS A 72 -6.655 -9.290 -10.802 1.00 0.00 C ATOM 1052 CG LYS A 72 -7.985 -9.802 -10.243 1.00 0.00 C ATOM 1053 CD LYS A 72 -7.929 -11.295 -9.915 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.260 -11.759 -9.326 1.00 0.00 C ATOM 1055 NZ LYS A 72 -10.354 -11.677 -10.313 1.00 0.00 N ATOM 0 H LYS A 72 -6.534 -8.307 -8.546 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.362 -10.620 -9.666 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.732 -8.219 -10.988 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.461 -9.768 -11.762 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.240 -9.242 -9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.778 -9.619 -10.968 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.705 -11.864 -10.817 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.123 -11.489 -9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.164 -12.786 -8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.507 -11.147 -8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.181 -12.198 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.611 -10.681 -10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.042 -12.095 -11.213 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.504 -8.088 -9.942 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.281 -7.500 -10.485 1.00 0.00 C ATOM 1071 C LYS A 73 -1.250 -7.342 -9.371 1.00 0.00 C ATOM 1072 O LYS A 73 -0.378 -6.479 -9.423 1.00 0.00 O ATOM 1073 CB LYS A 73 -2.593 -6.176 -11.189 1.00 0.00 C ATOM 1074 CG LYS A 73 -3.283 -5.171 -10.276 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.803 -5.246 -10.413 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.260 -4.646 -11.743 1.00 0.00 C ATOM 1077 NZ LYS A 73 -6.726 -4.713 -11.879 1.00 0.00 N ATOM 0 H LYS A 73 -3.787 -7.679 -9.051 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.853 -8.163 -11.237 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.666 -5.742 -11.565 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.228 -6.370 -12.054 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.999 -5.363 -9.241 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.943 -4.164 -10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.127 -6.284 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.274 -4.712 -9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.933 -3.608 -11.809 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.790 -5.182 -12.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.021 -4.181 -12.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.021 -5.706 -11.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.172 -4.300 -11.035 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.375 -8.200 -8.360 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.565 -8.208 -7.150 1.00 0.00 C ATOM 1093 C ASP A 74 0.956 -8.134 -7.326 1.00 0.00 C ATOM 1094 O ASP A 74 1.645 -7.869 -6.343 1.00 0.00 O ATOM 1095 CB ASP A 74 -0.942 -9.430 -6.316 1.00 0.00 C ATOM 1096 CG ASP A 74 -0.435 -10.728 -6.944 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -0.818 -11.005 -8.102 1.00 0.00 O ATOM 1098 OD2 ASP A 74 0.335 -11.436 -6.258 1.00 0.00 O ATOM 0 H ASP A 74 -2.076 -8.941 -8.365 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.802 -7.270 -6.648 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.528 -9.326 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.026 -9.477 -6.211 1.00 0.00 H new ATOM 1103 N ARG A 75 1.500 -8.354 -8.529 1.00 0.00 N ATOM 1104 CA ARG A 75 2.929 -8.156 -8.767 1.00 0.00 C ATOM 1105 C ARG A 75 3.270 -7.916 -10.236 1.00 0.00 C ATOM 1106 O ARG A 75 4.434 -8.019 -10.621 1.00 0.00 O ATOM 1107 CB ARG A 75 3.759 -9.295 -8.175 1.00 0.00 C ATOM 1108 CG ARG A 75 3.251 -10.679 -8.563 1.00 0.00 C ATOM 1109 CD ARG A 75 4.152 -11.683 -7.859 1.00 0.00 C ATOM 1110 NE ARG A 75 3.770 -13.065 -8.168 1.00 0.00 N ATOM 1111 CZ ARG A 75 4.431 -14.132 -7.710 1.00 0.00 C ATOM 1112 NH1 ARG A 75 5.499 -13.985 -6.928 1.00 0.00 N ATOM 1113 NH2 ARG A 75 4.022 -15.356 -8.034 1.00 0.00 N ATOM 0 H ARG A 75 0.974 -8.667 -9.345 1.00 0.00 H new ATOM 0 HA ARG A 75 3.197 -7.238 -8.244 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.793 -9.190 -8.504 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.760 -9.208 -7.089 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.212 -10.810 -8.259 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.287 -10.817 -9.644 1.00 0.00 H new ATOM 0 HD2 ARG A 75 5.187 -11.516 -8.158 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.102 -11.524 -6.782 1.00 0.00 H new ATOM 0 HE ARG A 75 2.957 -13.220 -8.764 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.820 -13.051 -6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.996 -14.807 -6.584 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.205 -15.479 -8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.526 -16.171 -7.685 1.00 0.00 H new ATOM 1127 N GLU A 76 2.275 -7.597 -11.069 1.00 0.00 N ATOM 1128 CA GLU A 76 2.541 -7.267 -12.466 1.00 0.00 C ATOM 1129 C GLU A 76 3.055 -5.825 -12.583 1.00 0.00 C ATOM 1130 O GLU A 76 3.515 -5.249 -11.598 1.00 0.00 O ATOM 1131 CB GLU A 76 1.323 -7.562 -13.344 1.00 0.00 C ATOM 1132 CG GLU A 76 0.090 -6.785 -12.904 1.00 0.00 C ATOM 1133 CD GLU A 76 -1.044 -6.958 -13.913 1.00 0.00 C ATOM 1134 OE1 GLU A 76 -1.527 -8.104 -14.050 1.00 0.00 O ATOM 1135 OE2 GLU A 76 -1.423 -5.943 -14.540 1.00 0.00 O ATOM 0 H GLU A 76 1.291 -7.561 -10.802 1.00 0.00 H new ATOM 0 HA GLU A 76 3.336 -7.910 -12.845 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.556 -7.313 -14.379 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.106 -8.630 -13.314 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.234 -7.131 -11.922 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.336 -5.728 -12.804 1.00 0.00 H new ATOM 1142 N SER A 77 2.983 -5.232 -13.778 1.00 0.00 N ATOM 1143 CA SER A 77 3.605 -3.942 -14.051 1.00 0.00 C ATOM 1144 C SER A 77 2.641 -2.975 -14.731 1.00 0.00 C ATOM 1145 O SER A 77 1.694 -3.393 -15.394 1.00 0.00 O ATOM 1146 CB SER A 77 4.816 -4.200 -14.949 1.00 0.00 C ATOM 1147 OG SER A 77 5.341 -2.994 -15.464 1.00 0.00 O ATOM 0 H SER A 77 2.493 -5.634 -14.577 1.00 0.00 H new ATOM 0 HA SER A 77 3.902 -3.476 -13.111 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.587 -4.722 -14.382 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.528 -4.854 -15.772 1.00 0.00 H new ATOM 0 HG SER A 77 5.499 -2.366 -14.729 1.00 0.00 H new ATOM 1153 N MET A 78 2.893 -1.671 -14.560 1.00 0.00 N ATOM 1154 CA MET A 78 2.145 -0.621 -15.243 1.00 0.00 C ATOM 1155 C MET A 78 2.419 -0.672 -16.743 1.00 0.00 C ATOM 1156 O MET A 78 1.664 -0.106 -17.532 1.00 0.00 O ATOM 1157 CB MET A 78 2.583 0.749 -14.719 1.00 0.00 C ATOM 1158 CG MET A 78 2.130 1.012 -13.286 1.00 0.00 C ATOM 1159 SD MET A 78 2.759 2.579 -12.627 1.00 0.00 S ATOM 1160 CE MET A 78 1.902 2.613 -11.032 1.00 0.00 C ATOM 0 H MET A 78 3.624 -1.319 -13.942 1.00 0.00 H new ATOM 0 HA MET A 78 1.082 -0.775 -15.055 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.669 0.821 -14.770 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.181 1.526 -15.370 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.041 1.019 -13.250 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.465 0.194 -12.648 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.398 3.320 -10.367 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.867 2.920 -11.182 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.924 1.619 -10.586 1.00 0.00 H new ATOM 1170 N GLY A 79 3.504 -1.352 -17.129 1.00 0.00 N ATOM 1171 CA GLY A 79 3.937 -1.451 -18.511 1.00 0.00 C ATOM 1172 C GLY A 79 5.428 -1.147 -18.640 1.00 0.00 C ATOM 1173 O GLY A 79 5.988 -1.286 -19.726 1.00 0.00 O ATOM 0 H GLY A 79 4.108 -1.852 -16.476 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.732 -2.453 -18.889 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.366 -0.755 -19.126 1.00 0.00 H new ATOM 1177 N HIS A 80 6.075 -0.733 -17.542 1.00 0.00 N ATOM 1178 CA HIS A 80 7.486 -0.373 -17.566 1.00 0.00 C ATOM 1179 C HIS A 80 8.191 -0.605 -16.223 1.00 0.00 C ATOM 1180 O HIS A 80 9.419 -0.546 -16.173 1.00 0.00 O ATOM 1181 CB HIS A 80 7.594 1.100 -17.969 1.00 0.00 C ATOM 1182 CG HIS A 80 9.010 1.554 -18.205 1.00 0.00 C ATOM 1183 ND1 HIS A 80 9.612 2.665 -17.661 1.00 0.00 N ATOM 1184 CD2 HIS A 80 9.939 0.938 -18.998 1.00 0.00 C ATOM 1185 CE1 HIS A 80 10.874 2.715 -18.123 1.00 0.00 C ATOM 1186 NE2 HIS A 80 11.125 1.680 -18.946 1.00 0.00 N ATOM 0 H HIS A 80 5.635 -0.641 -16.626 1.00 0.00 H new ATOM 0 HA HIS A 80 7.989 -1.019 -18.286 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.012 1.264 -18.876 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.148 1.716 -17.188 1.00 0.00 H new ATOM 0 HD2 HIS A 80 9.784 0.033 -19.567 1.00 0.00 H new ATOM 0 HE1 HIS A 80 11.590 3.482 -17.868 1.00 0.00 H new ATOM 0 HE2 HIS A 80 11.999 1.478 -19.432 1.00 0.00 H new ATOM 1194 N ARG A 81 7.455 -0.866 -15.134 1.00 0.00 N ATOM 1195 CA ARG A 81 8.083 -1.105 -13.838 1.00 0.00 C ATOM 1196 C ARG A 81 7.196 -1.939 -12.913 1.00 0.00 C ATOM 1197 O ARG A 81 5.970 -1.861 -12.955 1.00 0.00 O ATOM 1198 CB ARG A 81 8.431 0.243 -13.195 1.00 0.00 C ATOM 1199 CG ARG A 81 9.225 0.091 -11.890 1.00 0.00 C ATOM 1200 CD ARG A 81 10.577 -0.586 -12.115 1.00 0.00 C ATOM 1201 NE ARG A 81 11.263 -0.819 -10.837 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.580 -0.687 -10.646 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.381 -0.292 -11.632 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.105 -0.955 -9.454 1.00 0.00 N ATOM 0 H ARG A 81 6.436 -0.916 -15.129 1.00 0.00 H new ATOM 0 HA ARG A 81 8.993 -1.683 -13.997 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.011 0.838 -13.901 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.512 0.793 -12.994 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.382 1.074 -11.445 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.642 -0.492 -11.177 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.432 -1.534 -12.633 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.198 0.037 -12.758 1.00 0.00 H new ATOM 0 HE ARG A 81 10.694 -1.102 -10.039 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.993 -0.084 -12.552 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.383 -0.197 -11.468 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.504 -1.260 -8.689 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.109 -0.855 -9.305 1.00 0.00 H new ATOM 1218 N TYR A 82 7.862 -2.738 -12.077 1.00 0.00 N ATOM 1219 CA TYR A 82 7.302 -3.696 -11.138 1.00 0.00 C ATOM 1220 C TYR A 82 6.488 -3.000 -10.051 1.00 0.00 C ATOM 1221 O TYR A 82 6.937 -2.033 -9.435 1.00 0.00 O ATOM 1222 CB TYR A 82 8.525 -4.448 -10.602 1.00 0.00 C ATOM 1223 CG TYR A 82 8.398 -5.488 -9.508 1.00 0.00 C ATOM 1224 CD1 TYR A 82 7.189 -6.112 -9.148 1.00 0.00 C ATOM 1225 CD2 TYR A 82 9.582 -5.827 -8.836 1.00 0.00 C ATOM 1226 CE1 TYR A 82 7.176 -7.056 -8.109 1.00 0.00 C ATOM 1227 CE2 TYR A 82 9.577 -6.768 -7.803 1.00 0.00 C ATOM 1228 CZ TYR A 82 8.369 -7.390 -7.434 1.00 0.00 C ATOM 1229 OH TYR A 82 8.353 -8.313 -6.430 1.00 0.00 O ATOM 0 H TYR A 82 8.881 -2.727 -12.041 1.00 0.00 H new ATOM 0 HA TYR A 82 6.588 -4.382 -11.595 1.00 0.00 H new ATOM 0 HB2 TYR A 82 8.993 -4.941 -11.455 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.228 -3.696 -10.244 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.275 -5.866 -9.669 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.510 -5.354 -9.121 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.248 -7.529 -7.825 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.495 -7.017 -7.291 1.00 0.00 H new ATOM 0 HH TYR A 82 9.259 -8.425 -6.074 1.00 0.00 H new ATOM 1239 N ILE A 83 5.277 -3.516 -9.827 1.00 0.00 N ATOM 1240 CA ILE A 83 4.354 -3.030 -8.815 1.00 0.00 C ATOM 1241 C ILE A 83 4.024 -4.194 -7.890 1.00 0.00 C ATOM 1242 O ILE A 83 4.326 -5.343 -8.206 1.00 0.00 O ATOM 1243 CB ILE A 83 3.065 -2.498 -9.465 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.340 -1.533 -10.623 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.174 -1.793 -8.434 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.045 -0.252 -10.183 1.00 0.00 C ATOM 0 H ILE A 83 4.908 -4.303 -10.361 1.00 0.00 H new ATOM 0 HA ILE A 83 4.810 -2.211 -8.259 1.00 0.00 H new ATOM 0 HB ILE A 83 2.551 -3.373 -9.864 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.951 -2.038 -11.371 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.397 -1.274 -11.104 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.271 -1.428 -8.923 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.902 -2.496 -7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.716 -0.953 -7.999 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.211 0.388 -11.050 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.425 0.274 -9.457 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.004 -0.502 -9.728 1.00 0.00 H new ATOM 1258 N GLU A 84 3.402 -3.908 -6.749 1.00 0.00 N ATOM 1259 CA GLU A 84 2.972 -4.926 -5.811 1.00 0.00 C ATOM 1260 C GLU A 84 1.672 -4.495 -5.135 1.00 0.00 C ATOM 1261 O GLU A 84 1.449 -3.307 -4.908 1.00 0.00 O ATOM 1262 CB GLU A 84 4.068 -5.132 -4.769 1.00 0.00 C ATOM 1263 CG GLU A 84 4.979 -6.297 -5.149 1.00 0.00 C ATOM 1264 CD GLU A 84 5.907 -6.626 -3.983 1.00 0.00 C ATOM 1265 OE1 GLU A 84 6.512 -5.670 -3.449 1.00 0.00 O ATOM 1266 OE2 GLU A 84 6.007 -7.821 -3.631 1.00 0.00 O ATOM 0 H GLU A 84 3.184 -2.957 -6.453 1.00 0.00 H new ATOM 0 HA GLU A 84 2.792 -5.863 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.659 -4.221 -4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.617 -5.322 -3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.380 -7.170 -5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.565 -6.040 -6.031 1.00 0.00 H new ATOM 1273 N VAL A 85 0.817 -5.472 -4.813 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.459 -5.235 -4.151 1.00 0.00 C ATOM 1275 C VAL A 85 -0.736 -6.389 -3.198 1.00 0.00 C ATOM 1276 O VAL A 85 -0.251 -7.501 -3.407 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.615 -5.156 -5.160 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -2.818 -4.435 -4.550 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.222 -4.425 -6.440 1.00 0.00 C ATOM 0 H VAL A 85 0.998 -6.456 -5.009 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.395 -4.285 -3.621 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.871 -6.186 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.625 -4.390 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.158 -4.977 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.530 -3.423 -4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.074 -4.397 -7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.917 -3.407 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.394 -4.948 -6.918 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.516 -6.130 -2.152 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.867 -7.153 -1.184 1.00 0.00 C ATOM 1291 C PHE A 86 -3.157 -6.758 -0.482 1.00 0.00 C ATOM 1292 O PHE A 86 -3.502 -5.579 -0.432 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.712 -7.278 -0.193 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.692 -8.532 0.648 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -0.094 -9.704 0.161 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -1.265 -8.521 1.922 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -0.066 -10.857 0.957 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -1.240 -9.671 2.721 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.640 -10.843 2.237 1.00 0.00 C ATOM 0 H PHE A 86 -1.917 -5.213 -1.957 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.031 -8.116 -1.668 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.224 -7.222 -0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.738 -6.417 0.475 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.344 -9.718 -0.826 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.730 -7.620 2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.398 -11.758 0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.681 -9.656 3.707 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.620 -11.733 2.849 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.879 -7.736 0.063 1.00 0.00 N ATOM 1310 CA LYS A 87 -5.159 -7.464 0.686 1.00 0.00 C ATOM 1311 C LYS A 87 -4.949 -6.811 2.048 1.00 0.00 C ATOM 1312 O LYS A 87 -3.922 -7.017 2.690 1.00 0.00 O ATOM 1313 CB LYS A 87 -5.953 -8.766 0.786 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.427 -8.436 0.992 1.00 0.00 C ATOM 1315 CD LYS A 87 -8.296 -9.692 0.923 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.767 -9.284 0.997 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.659 -10.453 0.877 1.00 0.00 N ATOM 0 H LYS A 87 -3.596 -8.716 0.082 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.734 -6.763 0.080 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.823 -9.356 -0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.583 -9.369 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.561 -7.952 1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.752 -7.725 0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.102 -10.234 -0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.050 -10.365 1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.957 -8.775 1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.989 -8.573 0.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.518 -10.182 0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.169 -11.212 0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.920 -10.790 1.826 1.00 0.00 H new ATOM 1331 N SER A 88 -5.924 -6.022 2.488 1.00 0.00 N ATOM 1332 CA SER A 88 -5.842 -5.321 3.760 1.00 0.00 C ATOM 1333 C SER A 88 -7.193 -5.333 4.469 1.00 0.00 C ATOM 1334 O SER A 88 -8.175 -5.871 3.962 1.00 0.00 O ATOM 1335 CB SER A 88 -5.344 -3.894 3.520 1.00 0.00 C ATOM 1336 OG SER A 88 -5.102 -3.243 4.752 1.00 0.00 O ATOM 0 H SER A 88 -6.789 -5.852 1.974 1.00 0.00 H new ATOM 0 HA SER A 88 -5.133 -5.831 4.412 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.430 -3.916 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.083 -3.336 2.945 1.00 0.00 H new ATOM 0 HG SER A 88 -4.782 -2.332 4.583 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.231 -4.730 5.658 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.408 -4.708 6.508 1.00 0.00 C ATOM 1344 C HIS A 89 -8.520 -3.376 7.250 1.00 0.00 C ATOM 1345 O HIS A 89 -9.310 -3.246 8.181 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.338 -5.895 7.469 1.00 0.00 C ATOM 1347 CG HIS A 89 -7.031 -5.979 8.208 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -6.753 -5.452 9.448 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -5.891 -6.596 7.767 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -5.468 -5.733 9.733 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -4.900 -6.438 8.739 1.00 0.00 N ATOM 0 H HIS A 89 -6.431 -4.239 6.057 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.308 -4.800 5.900 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -9.152 -5.820 8.190 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.492 -6.818 6.909 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.777 -7.116 6.827 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.961 -5.433 10.638 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.942 -6.786 8.702 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.721 -2.388 6.826 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.793 -0.998 7.265 1.00 0.00 C ATOM 1361 C ARG A 90 -7.248 -0.771 8.675 1.00 0.00 C ATOM 1362 O ARG A 90 -6.797 0.331 8.978 1.00 0.00 O ATOM 1363 CB ARG A 90 -9.237 -0.502 7.133 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.286 1.017 6.963 1.00 0.00 C ATOM 1365 CD ARG A 90 -10.734 1.465 6.766 1.00 0.00 C ATOM 1366 NE ARG A 90 -10.788 2.856 6.305 1.00 0.00 N ATOM 1367 CZ ARG A 90 -11.696 3.759 6.678 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -12.658 3.456 7.547 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -11.634 4.987 6.169 1.00 0.00 N ATOM 0 H ARG A 90 -6.981 -2.546 6.142 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.141 -0.415 6.615 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.712 -0.982 6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.806 -0.790 8.017 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.860 1.505 7.840 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.682 1.317 6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -11.225 0.817 6.040 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.281 1.366 7.703 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.072 3.158 5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.711 2.517 7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.342 4.163 7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.899 5.227 5.503 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.321 5.689 6.445 1.00 0.00 H new ATOM 1383 N THR A 91 -7.279 -1.786 9.542 1.00 0.00 N ATOM 1384 CA THR A 91 -6.712 -1.658 10.880 1.00 0.00 C ATOM 1385 C THR A 91 -5.191 -1.586 10.796 1.00 0.00 C ATOM 1386 O THR A 91 -4.564 -0.834 11.538 1.00 0.00 O ATOM 1387 CB THR A 91 -7.136 -2.847 11.745 1.00 0.00 C ATOM 1388 OG1 THR A 91 -8.543 -2.945 11.761 1.00 0.00 O ATOM 1389 CG2 THR A 91 -6.633 -2.674 13.175 1.00 0.00 C ATOM 0 H THR A 91 -7.688 -2.698 9.340 1.00 0.00 H new ATOM 0 HA THR A 91 -7.084 -0.741 11.337 1.00 0.00 H new ATOM 0 HB THR A 91 -6.704 -3.754 11.322 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.811 -3.708 12.314 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.944 -3.529 13.776 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.545 -2.608 13.173 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.050 -1.761 13.600 1.00 0.00 H new ATOM 1397 N GLU A 92 -4.591 -2.365 9.891 1.00 0.00 N ATOM 1398 CA GLU A 92 -3.156 -2.307 9.660 1.00 0.00 C ATOM 1399 C GLU A 92 -2.805 -0.989 8.986 1.00 0.00 C ATOM 1400 O GLU A 92 -1.781 -0.391 9.300 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.741 -3.477 8.767 1.00 0.00 C ATOM 1402 CG GLU A 92 -1.222 -3.478 8.589 1.00 0.00 C ATOM 1403 CD GLU A 92 -0.743 -4.646 7.728 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -1.165 -5.790 8.006 1.00 0.00 O ATOM 1405 OE2 GLU A 92 0.046 -4.387 6.793 1.00 0.00 O ATOM 0 H GLU A 92 -5.083 -3.042 9.309 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.626 -2.374 10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.065 -4.418 9.211 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.230 -3.397 7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.911 -2.539 8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.743 -3.529 9.567 1.00 0.00 H new ATOM 1412 N MET A 93 -3.658 -0.538 8.062 1.00 0.00 N ATOM 1413 CA MET A 93 -3.424 0.698 7.339 1.00 0.00 C ATOM 1414 C MET A 93 -3.338 1.863 8.319 1.00 0.00 C ATOM 1415 O MET A 93 -2.497 2.741 8.159 1.00 0.00 O ATOM 1416 CB MET A 93 -4.548 0.881 6.316 1.00 0.00 C ATOM 1417 CG MET A 93 -4.396 2.167 5.505 1.00 0.00 C ATOM 1418 SD MET A 93 -4.914 3.679 6.359 1.00 0.00 S ATOM 1419 CE MET A 93 -6.692 3.359 6.491 1.00 0.00 C ATOM 0 H MET A 93 -4.519 -1.019 7.802 1.00 0.00 H new ATOM 0 HA MET A 93 -2.475 0.662 6.804 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.561 0.027 5.639 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.507 0.892 6.833 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.351 2.273 5.213 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.975 2.070 4.587 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.223 4.302 6.622 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.042 2.868 5.583 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.883 2.714 7.348 1.00 0.00 H new ATOM 1429 N ASP A 94 -4.205 1.876 9.335 1.00 0.00 N ATOM 1430 CA ASP A 94 -4.197 2.922 10.348 1.00 0.00 C ATOM 1431 C ASP A 94 -2.978 2.809 11.261 1.00 0.00 C ATOM 1432 O ASP A 94 -2.509 3.807 11.801 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.461 2.786 11.186 1.00 0.00 C ATOM 1434 CG ASP A 94 -5.600 3.929 12.190 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -5.723 5.090 11.738 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.583 3.635 13.405 1.00 0.00 O ATOM 0 H ASP A 94 -4.924 1.166 9.474 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.156 3.891 9.851 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.332 2.770 10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.444 1.835 11.718 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.469 1.588 11.431 1.00 0.00 N ATOM 1442 CA TRP A 95 -1.370 1.322 12.346 1.00 0.00 C ATOM 1443 C TRP A 95 -0.027 1.813 11.812 1.00 0.00 C ATOM 1444 O TRP A 95 0.608 2.658 12.440 1.00 0.00 O ATOM 1445 CB TRP A 95 -1.293 -0.179 12.613 1.00 0.00 C ATOM 1446 CG TRP A 95 -0.197 -0.580 13.548 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -0.214 -0.443 14.892 1.00 0.00 C ATOM 1448 CD2 TRP A 95 1.095 -1.186 13.229 1.00 0.00 C ATOM 1449 NE1 TRP A 95 0.971 -0.909 15.423 1.00 0.00 N ATOM 1450 CE2 TRP A 95 1.820 -1.373 14.440 1.00 0.00 C ATOM 1451 CE3 TRP A 95 1.728 -1.590 12.039 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 3.106 -1.924 14.465 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 3.018 -2.139 12.053 1.00 0.00 C ATOM 1454 CH2 TRP A 95 3.709 -2.309 13.261 1.00 0.00 C ATOM 0 H TRP A 95 -2.809 0.762 10.938 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.570 1.870 13.267 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.246 -0.513 13.024 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.155 -0.699 11.665 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.032 -0.031 15.464 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.192 -0.910 16.419 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.211 -1.475 11.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 3.628 -2.051 15.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.484 -2.434 11.124 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.702 -2.735 13.263 1.00 0.00 H new ATOM 1465 N VAL A 96 0.420 1.300 10.662 1.00 0.00 N ATOM 1466 CA VAL A 96 1.744 1.624 10.140 1.00 0.00 C ATOM 1467 C VAL A 96 1.833 3.083 9.688 1.00 0.00 C ATOM 1468 O VAL A 96 2.925 3.644 9.660 1.00 0.00 O ATOM 1469 CB VAL A 96 2.116 0.640 9.026 1.00 0.00 C ATOM 1470 CG1 VAL A 96 1.071 0.646 7.925 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.490 0.958 8.437 1.00 0.00 C ATOM 0 H VAL A 96 -0.118 0.660 10.078 1.00 0.00 H new ATOM 0 HA VAL A 96 2.475 1.516 10.942 1.00 0.00 H new ATOM 0 HB VAL A 96 2.153 -0.354 9.472 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.359 -0.061 7.147 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.105 0.357 8.339 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.998 1.646 7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.723 0.241 7.650 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.483 1.965 8.020 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.245 0.895 9.220 1.00 0.00 H new ATOM 1481 N LEU A 97 0.706 3.708 9.335 1.00 0.00 N ATOM 1482 CA LEU A 97 0.689 5.124 8.994 1.00 0.00 C ATOM 1483 C LEU A 97 0.926 5.992 10.235 1.00 0.00 C ATOM 1484 O LEU A 97 1.034 7.213 10.115 1.00 0.00 O ATOM 1485 CB LEU A 97 -0.664 5.482 8.365 1.00 0.00 C ATOM 1486 CG LEU A 97 -0.656 5.626 6.839 1.00 0.00 C ATOM 1487 CD1 LEU A 97 0.375 6.658 6.381 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -0.397 4.294 6.140 1.00 0.00 C ATOM 0 H LEU A 97 -0.204 3.251 9.279 1.00 0.00 H new ATOM 0 HA LEU A 97 1.492 5.318 8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.388 4.714 8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.013 6.418 8.801 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.650 5.972 6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.354 6.735 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.138 7.628 6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.369 6.348 6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.400 4.443 5.060 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.572 3.903 6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.178 3.583 6.410 1.00 0.00 H new ATOM 1500 N LYS A 98 1.008 5.377 11.422 1.00 0.00 N ATOM 1501 CA LYS A 98 1.140 6.080 12.691 1.00 0.00 C ATOM 1502 C LYS A 98 2.179 5.428 13.607 1.00 0.00 C ATOM 1503 O LYS A 98 2.331 5.843 14.754 1.00 0.00 O ATOM 1504 CB LYS A 98 -0.229 6.098 13.365 1.00 0.00 C ATOM 1505 CG LYS A 98 -1.224 6.873 12.501 1.00 0.00 C ATOM 1506 CD LYS A 98 -2.571 6.929 13.211 1.00 0.00 C ATOM 1507 CE LYS A 98 -3.577 7.674 12.335 1.00 0.00 C ATOM 1508 NZ LYS A 98 -4.944 7.561 12.874 1.00 0.00 N ATOM 0 H LYS A 98 0.984 4.362 11.522 1.00 0.00 H new ATOM 0 HA LYS A 98 1.490 7.095 12.500 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.583 5.078 13.517 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.153 6.559 14.350 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.855 7.882 12.317 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.332 6.391 11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.928 5.920 13.416 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.467 7.432 14.172 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.296 8.725 12.268 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.549 7.272 11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.513 8.370 12.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.377 6.677 12.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.908 7.556 13.913 1.00 0.00 H new