USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 876 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 106 THR OG1 : rot 180:sc= 0.561 USER MOD Set 1.2: A 115 THR OG1 : rot -90:sc= -0.0595 USER MOD Set 2.1: A 49 ASN : amide:sc= -2.91 X(o=-10,f=-10!) USER MOD Set 2.2: A 53 GLN : amide:sc= -4.7! C(o=-10!,f=-6.5!) USER MOD Set 2.3: A 65 MET CE :methyl -171:sc= -2.56 (180deg=-1.99) USER MOD Set 3.1: A 44 TYR OH : rot 30:sc= 0.117 USER MOD Set 3.2: A 114 CYS SG : rot 113:sc= -0.951 USER MOD Set 4.1: A 37 THR OG1 : rot -71:sc= -0.0891! USER MOD Set 4.2: A 40 GLN : amide:sc= -0.133 K(o=-0.22,f=-1.5) USER MOD Set 5.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.526 K(o=-0.53,f=0) USER MOD Single : A 23 CYS SG : rot 45:sc= -4.8! USER MOD Single : A 28 SER OG : rot 180:sc= -1.76 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -4.12 K(o=-4.1,f=-8.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0.011 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 46 ASN : amide:sc= -0.253 K(o=-0.25,f=-2.1!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 31:sc= -0.468 USER MOD Single : A 75 GLN : amide:sc= -0.973 K(o=-0.97,f=-2) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 92 MET CE :methyl -147:sc= -1.65! (180deg=-2.54!) USER MOD Single : A 94 HIS : no HE2:sc= -6.65! C(o=-6.6!,f=-9.4!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 107 LYS NZ :NH3+ 136:sc= 0.712 (180deg=-0.568) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot -129:sc= -5.67! USER MOD Single : A 121 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.846) USER MOD ----------------------------------------------------------------- ATOM 151 N ASP A 12 3.412 15.176 3.052 1.00 0.00 N ATOM 152 CA ASP A 12 3.526 14.247 4.170 1.00 0.00 C ATOM 153 C ASP A 12 2.633 13.028 3.962 1.00 0.00 C ATOM 154 O ASP A 12 3.059 11.891 4.170 1.00 0.00 O ATOM 155 CB ASP A 12 3.157 14.945 5.480 1.00 0.00 C ATOM 156 CG ASP A 12 3.832 14.315 6.682 1.00 0.00 C ATOM 157 OD1 ASP A 12 4.950 13.782 6.524 1.00 0.00 O ATOM 158 OD2 ASP A 12 3.240 14.354 7.782 1.00 0.00 O ATOM 0 HA ASP A 12 4.561 13.910 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.437 15.997 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.076 14.911 5.615 1.00 0.00 H new ATOM 163 N ASP A 13 1.393 13.271 3.550 1.00 0.00 N ATOM 164 CA ASP A 13 0.441 12.192 3.315 1.00 0.00 C ATOM 165 C ASP A 13 0.824 11.392 2.074 1.00 0.00 C ATOM 166 O ASP A 13 0.869 10.162 2.104 1.00 0.00 O ATOM 167 CB ASP A 13 -0.973 12.755 3.156 1.00 0.00 C ATOM 168 CG ASP A 13 -1.782 12.657 4.434 1.00 0.00 C ATOM 169 OD1 ASP A 13 -1.604 11.665 5.174 1.00 0.00 O ATOM 170 OD2 ASP A 13 -2.595 13.568 4.696 1.00 0.00 O ATOM 0 H ASP A 13 1.024 14.205 3.372 1.00 0.00 H new ATOM 0 HA ASP A 13 0.464 11.526 4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.913 13.798 2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.488 12.216 2.361 1.00 0.00 H new ATOM 175 N PHE A 14 1.101 12.099 0.983 1.00 0.00 N ATOM 176 CA PHE A 14 1.482 11.459 -0.270 1.00 0.00 C ATOM 177 C PHE A 14 2.733 10.605 -0.093 1.00 0.00 C ATOM 178 O PHE A 14 2.937 9.632 -0.819 1.00 0.00 O ATOM 179 CB PHE A 14 1.707 12.507 -1.360 1.00 0.00 C ATOM 180 CG PHE A 14 0.437 12.934 -2.039 1.00 0.00 C ATOM 181 CD1 PHE A 14 -0.121 12.159 -3.044 1.00 0.00 C ATOM 182 CD2 PHE A 14 -0.200 14.107 -1.670 1.00 0.00 C ATOM 183 CE1 PHE A 14 -1.291 12.548 -3.667 1.00 0.00 C ATOM 184 CE2 PHE A 14 -1.371 14.499 -2.289 1.00 0.00 C ATOM 185 CZ PHE A 14 -1.917 13.720 -3.288 1.00 0.00 C ATOM 0 H PHE A 14 1.068 13.118 0.942 1.00 0.00 H new ATOM 0 HA PHE A 14 0.664 10.805 -0.574 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.189 13.381 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.393 12.105 -2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.364 11.242 -3.343 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.223 14.722 -0.890 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.716 11.937 -4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.859 15.415 -1.991 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.832 14.026 -3.773 1.00 0.00 H new ATOM 195 N GLN A 15 3.561 10.961 0.885 1.00 0.00 N ATOM 196 CA GLN A 15 4.775 10.209 1.155 1.00 0.00 C ATOM 197 C GLN A 15 4.405 8.819 1.637 1.00 0.00 C ATOM 198 O GLN A 15 5.112 7.845 1.376 1.00 0.00 O ATOM 199 CB GLN A 15 5.629 10.923 2.205 1.00 0.00 C ATOM 200 CG GLN A 15 7.090 10.499 2.191 1.00 0.00 C ATOM 201 CD GLN A 15 7.548 9.936 3.522 1.00 0.00 C ATOM 202 OE1 GLN A 15 8.541 10.389 4.093 1.00 0.00 O ATOM 203 NE2 GLN A 15 6.826 8.943 4.026 1.00 0.00 N ATOM 0 H GLN A 15 3.412 11.762 1.499 1.00 0.00 H new ATOM 0 HA GLN A 15 5.359 10.133 0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.570 11.999 2.039 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.212 10.729 3.193 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.239 9.750 1.413 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.711 11.357 1.931 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.010 8.598 3.520 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.087 8.525 4.919 1.00 0.00 H new ATOM 212 N PHE A 16 3.276 8.737 2.333 1.00 0.00 N ATOM 213 CA PHE A 16 2.795 7.470 2.840 1.00 0.00 C ATOM 214 C PHE A 16 2.288 6.607 1.690 1.00 0.00 C ATOM 215 O PHE A 16 2.465 5.389 1.685 1.00 0.00 O ATOM 216 CB PHE A 16 1.684 7.687 3.872 1.00 0.00 C ATOM 217 CG PHE A 16 1.037 6.412 4.337 1.00 0.00 C ATOM 218 CD1 PHE A 16 1.555 5.706 5.411 1.00 0.00 C ATOM 219 CD2 PHE A 16 -0.089 5.918 3.695 1.00 0.00 C ATOM 220 CE1 PHE A 16 0.963 4.533 5.837 1.00 0.00 C ATOM 221 CE2 PHE A 16 -0.685 4.745 4.116 1.00 0.00 C ATOM 222 CZ PHE A 16 -0.159 4.051 5.188 1.00 0.00 C ATOM 0 H PHE A 16 2.682 9.536 2.555 1.00 0.00 H new ATOM 0 HA PHE A 16 3.621 6.956 3.331 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.098 8.210 4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.921 8.336 3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.432 6.077 5.921 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.505 6.457 2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.376 3.993 6.676 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.561 4.371 3.607 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.623 3.134 5.519 1.00 0.00 H new ATOM 232 N LEU A 17 1.662 7.256 0.712 1.00 0.00 N ATOM 233 CA LEU A 17 1.134 6.559 -0.453 1.00 0.00 C ATOM 234 C LEU A 17 2.271 6.016 -1.309 1.00 0.00 C ATOM 235 O LEU A 17 2.216 4.884 -1.787 1.00 0.00 O ATOM 236 CB LEU A 17 0.250 7.497 -1.279 1.00 0.00 C ATOM 237 CG LEU A 17 -1.196 7.029 -1.449 1.00 0.00 C ATOM 238 CD1 LEU A 17 -2.165 8.171 -1.182 1.00 0.00 C ATOM 239 CD2 LEU A 17 -1.413 6.457 -2.842 1.00 0.00 C ATOM 0 H LEU A 17 1.509 8.264 0.705 1.00 0.00 H new ATOM 0 HA LEU A 17 0.528 5.721 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.246 8.480 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.696 7.619 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.388 6.241 -0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.188 7.817 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.029 8.533 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.973 8.983 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.448 6.129 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.200 7.223 -3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.747 5.608 -2.994 1.00 0.00 H new ATOM 251 N SER A 18 3.309 6.829 -1.489 1.00 0.00 N ATOM 252 CA SER A 18 4.466 6.425 -2.277 1.00 0.00 C ATOM 253 C SER A 18 5.035 5.115 -1.744 1.00 0.00 C ATOM 254 O SER A 18 5.535 4.286 -2.503 1.00 0.00 O ATOM 255 CB SER A 18 5.539 7.514 -2.247 1.00 0.00 C ATOM 256 OG SER A 18 6.606 7.203 -3.127 1.00 0.00 O ATOM 0 H SER A 18 3.371 7.770 -1.100 1.00 0.00 H new ATOM 0 HA SER A 18 4.148 6.277 -3.309 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.099 8.471 -2.528 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.921 7.625 -1.232 1.00 0.00 H new ATOM 0 HG SER A 18 7.278 7.915 -3.091 1.00 0.00 H new ATOM 262 N ASP A 19 4.939 4.935 -0.429 1.00 0.00 N ATOM 263 CA ASP A 19 5.429 3.724 0.214 1.00 0.00 C ATOM 264 C ASP A 19 4.454 2.572 -0.010 1.00 0.00 C ATOM 265 O ASP A 19 4.865 1.435 -0.237 1.00 0.00 O ATOM 266 CB ASP A 19 5.632 3.959 1.712 1.00 0.00 C ATOM 267 CG ASP A 19 7.079 4.244 2.063 1.00 0.00 C ATOM 268 OD1 ASP A 19 7.888 3.292 2.060 1.00 0.00 O ATOM 269 OD2 ASP A 19 7.402 5.418 2.339 1.00 0.00 O ATOM 0 H ASP A 19 4.526 5.614 0.210 1.00 0.00 H new ATOM 0 HA ASP A 19 6.389 3.462 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.012 4.796 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.293 3.082 2.263 1.00 0.00 H new ATOM 274 N VAL A 20 3.160 2.879 0.041 1.00 0.00 N ATOM 275 CA VAL A 20 2.132 1.869 -0.170 1.00 0.00 C ATOM 276 C VAL A 20 2.261 1.274 -1.566 1.00 0.00 C ATOM 277 O VAL A 20 2.379 0.060 -1.729 1.00 0.00 O ATOM 278 CB VAL A 20 0.719 2.460 0.004 1.00 0.00 C ATOM 279 CG1 VAL A 20 -0.348 1.408 -0.267 1.00 0.00 C ATOM 280 CG2 VAL A 20 0.564 3.041 1.399 1.00 0.00 C ATOM 0 H VAL A 20 2.802 3.816 0.226 1.00 0.00 H new ATOM 0 HA VAL A 20 2.275 1.090 0.578 1.00 0.00 H new ATOM 0 HB VAL A 20 0.587 3.261 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.336 1.850 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.246 1.041 -1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.227 0.579 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.438 3.456 1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.717 2.256 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.302 3.829 1.549 1.00 0.00 H new ATOM 290 N LEU A 21 2.254 2.145 -2.570 1.00 0.00 N ATOM 291 CA LEU A 21 2.391 1.712 -3.953 1.00 0.00 C ATOM 292 C LEU A 21 3.720 0.991 -4.144 1.00 0.00 C ATOM 293 O LEU A 21 3.855 0.129 -5.013 1.00 0.00 O ATOM 294 CB LEU A 21 2.301 2.911 -4.899 1.00 0.00 C ATOM 295 CG LEU A 21 1.084 3.815 -4.686 1.00 0.00 C ATOM 296 CD1 LEU A 21 1.297 5.164 -5.357 1.00 0.00 C ATOM 297 CD2 LEU A 21 -0.176 3.146 -5.217 1.00 0.00 C ATOM 0 H LEU A 21 2.155 3.153 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 21 1.578 1.025 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.204 3.511 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.287 2.544 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 21 0.960 3.980 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.422 5.793 -5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.176 5.648 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.446 5.019 -6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.031 3.802 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.062 2.951 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.338 2.205 -4.691 1.00 0.00 H new ATOM 309 N ASP A 22 4.697 1.348 -3.315 1.00 0.00 N ATOM 310 CA ASP A 22 6.016 0.736 -3.375 1.00 0.00 C ATOM 311 C ASP A 22 5.973 -0.682 -2.816 1.00 0.00 C ATOM 312 O ASP A 22 6.763 -1.539 -3.212 1.00 0.00 O ATOM 313 CB ASP A 22 7.028 1.580 -2.596 1.00 0.00 C ATOM 314 CG ASP A 22 7.970 2.341 -3.510 1.00 0.00 C ATOM 315 OD1 ASP A 22 8.879 1.708 -4.087 1.00 0.00 O ATOM 316 OD2 ASP A 22 7.798 3.571 -3.647 1.00 0.00 O ATOM 0 H ASP A 22 4.597 2.061 -2.592 1.00 0.00 H new ATOM 0 HA ASP A 22 6.327 0.688 -4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.495 2.286 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.608 0.932 -1.939 1.00 0.00 H new ATOM 321 N CYS A 23 5.043 -0.925 -1.891 1.00 0.00 N ATOM 322 CA CYS A 23 4.900 -2.245 -1.280 1.00 0.00 C ATOM 323 C CYS A 23 4.849 -3.339 -2.343 1.00 0.00 C ATOM 324 O CYS A 23 4.502 -3.082 -3.496 1.00 0.00 O ATOM 325 CB CYS A 23 3.637 -2.295 -0.419 1.00 0.00 C ATOM 326 SG CYS A 23 3.681 -1.194 1.014 1.00 0.00 S ATOM 0 H CYS A 23 4.381 -0.228 -1.551 1.00 0.00 H new ATOM 0 HA CYS A 23 5.771 -2.421 -0.649 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.778 -2.036 -1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.485 -3.318 -0.074 1.00 0.00 H new ATOM 0 HG CYS A 23 4.139 -0.032 0.654 1.00 0.00 H new ATOM 332 N ARG A 24 5.202 -4.558 -1.949 1.00 0.00 N ATOM 333 CA ARG A 24 5.201 -5.690 -2.870 1.00 0.00 C ATOM 334 C ARG A 24 3.885 -6.456 -2.798 1.00 0.00 C ATOM 335 O ARG A 24 3.462 -7.072 -3.776 1.00 0.00 O ATOM 336 CB ARG A 24 6.368 -6.629 -2.557 1.00 0.00 C ATOM 337 CG ARG A 24 7.608 -6.357 -3.392 1.00 0.00 C ATOM 338 CD ARG A 24 8.174 -4.974 -3.113 1.00 0.00 C ATOM 339 NE ARG A 24 8.969 -4.472 -4.230 1.00 0.00 N ATOM 340 CZ ARG A 24 9.808 -3.443 -4.141 1.00 0.00 C ATOM 341 NH1 ARG A 24 9.964 -2.805 -2.987 1.00 0.00 N ATOM 342 NH2 ARG A 24 10.491 -3.049 -5.206 1.00 0.00 N ATOM 0 H ARG A 24 5.492 -4.788 -0.999 1.00 0.00 H new ATOM 0 HA ARG A 24 5.316 -5.300 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.624 -6.538 -1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.049 -7.658 -2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.365 -7.111 -3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.362 -6.444 -4.450 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.357 -4.282 -2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.792 -5.009 -2.216 1.00 0.00 H new ATOM 0 HE ARG A 24 8.876 -4.938 -5.133 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.440 -3.103 -2.164 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.608 -2.017 -2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.374 -3.535 -6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.134 -2.260 -5.136 1.00 0.00 H new ATOM 356 N ALA A 25 3.242 -6.417 -1.635 1.00 0.00 N ATOM 357 CA ALA A 25 1.977 -7.114 -1.443 1.00 0.00 C ATOM 358 C ALA A 25 0.850 -6.142 -1.117 1.00 0.00 C ATOM 359 O ALA A 25 1.035 -5.185 -0.365 1.00 0.00 O ATOM 360 CB ALA A 25 2.113 -8.155 -0.341 1.00 0.00 C ATOM 0 H ALA A 25 3.576 -5.912 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 25 1.725 -7.615 -2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.161 -8.669 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.881 -8.878 -0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.395 -7.664 0.591 1.00 0.00 H new ATOM 366 N VAL A 26 -0.323 -6.401 -1.685 1.00 0.00 N ATOM 367 CA VAL A 26 -1.493 -5.561 -1.456 1.00 0.00 C ATOM 368 C VAL A 26 -2.742 -6.419 -1.300 1.00 0.00 C ATOM 369 O VAL A 26 -3.236 -6.994 -2.270 1.00 0.00 O ATOM 370 CB VAL A 26 -1.707 -4.562 -2.609 1.00 0.00 C ATOM 371 CG1 VAL A 26 -2.765 -3.534 -2.236 1.00 0.00 C ATOM 372 CG2 VAL A 26 -0.397 -3.880 -2.977 1.00 0.00 C ATOM 0 H VAL A 26 -0.489 -7.190 -2.310 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.314 -5.000 -0.539 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.060 -5.113 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.902 -2.837 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.707 -4.041 -2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.444 -2.987 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.569 -3.178 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.011 -3.342 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.328 -4.631 -3.291 1.00 0.00 H new ATOM 382 N ARG A 27 -3.243 -6.513 -0.073 1.00 0.00 N ATOM 383 CA ARG A 27 -4.428 -7.316 0.206 1.00 0.00 C ATOM 384 C ARG A 27 -5.241 -6.722 1.351 1.00 0.00 C ATOM 385 O ARG A 27 -4.924 -5.648 1.858 1.00 0.00 O ATOM 386 CB ARG A 27 -4.020 -8.750 0.544 1.00 0.00 C ATOM 387 CG ARG A 27 -3.955 -9.665 -0.667 1.00 0.00 C ATOM 388 CD ARG A 27 -5.342 -10.108 -1.109 1.00 0.00 C ATOM 389 NE ARG A 27 -5.479 -10.105 -2.565 1.00 0.00 N ATOM 390 CZ ARG A 27 -6.091 -9.144 -3.259 1.00 0.00 C ATOM 391 NH1 ARG A 27 -6.633 -8.102 -2.640 1.00 0.00 N ATOM 392 NH2 ARG A 27 -6.160 -9.227 -4.580 1.00 0.00 N ATOM 0 H ARG A 27 -2.848 -6.044 0.742 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.053 -7.318 -0.687 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.045 -8.736 1.031 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.730 -9.161 1.262 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.459 -9.148 -1.488 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.351 -10.541 -0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.541 -11.110 -0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.090 -9.446 -0.673 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.081 -10.888 -3.083 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.584 -8.030 -1.624 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.098 -7.373 -3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.746 -10.024 -5.063 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.627 -8.494 -5.113 1.00 0.00 H new ATOM 406 N SER A 28 -6.295 -7.426 1.750 1.00 0.00 N ATOM 407 CA SER A 28 -7.156 -6.967 2.834 1.00 0.00 C ATOM 408 C SER A 28 -6.997 -7.849 4.069 1.00 0.00 C ATOM 409 O SER A 28 -6.894 -9.070 3.961 1.00 0.00 O ATOM 410 CB SER A 28 -8.618 -6.968 2.383 1.00 0.00 C ATOM 411 OG SER A 28 -9.382 -6.032 3.125 1.00 0.00 O ATOM 0 H SER A 28 -6.574 -8.317 1.339 1.00 0.00 H new ATOM 0 HA SER A 28 -6.859 -5.951 3.094 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.674 -6.728 1.321 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.039 -7.966 2.507 1.00 0.00 H new ATOM 0 HG SER A 28 -10.312 -6.051 2.816 1.00 0.00 H new ATOM 417 N ALA A 29 -6.983 -7.225 5.243 1.00 0.00 N ATOM 418 CA ALA A 29 -6.844 -7.962 6.494 1.00 0.00 C ATOM 419 C ALA A 29 -7.987 -8.954 6.658 1.00 0.00 C ATOM 420 O ALA A 29 -7.769 -10.117 6.999 1.00 0.00 O ATOM 421 CB ALA A 29 -6.798 -7.007 7.677 1.00 0.00 C ATOM 0 H ALA A 29 -7.066 -6.214 5.354 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.906 -8.516 6.462 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.694 -7.577 8.601 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.948 -6.334 7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.719 -6.425 7.711 1.00 0.00 H new ATOM 427 N MET A 30 -9.207 -8.489 6.405 1.00 0.00 N ATOM 428 CA MET A 30 -10.388 -9.342 6.518 1.00 0.00 C ATOM 429 C MET A 30 -10.214 -10.617 5.693 1.00 0.00 C ATOM 430 O MET A 30 -10.811 -11.651 5.993 1.00 0.00 O ATOM 431 CB MET A 30 -11.636 -8.585 6.060 1.00 0.00 C ATOM 432 CG MET A 30 -12.480 -8.054 7.207 1.00 0.00 C ATOM 433 SD MET A 30 -14.250 -8.194 6.893 1.00 0.00 S ATOM 434 CE MET A 30 -14.731 -6.469 6.885 1.00 0.00 C ATOM 0 H MET A 30 -9.404 -7.529 6.121 1.00 0.00 H new ATOM 0 HA MET A 30 -10.509 -9.621 7.565 1.00 0.00 H new ATOM 0 HB2 MET A 30 -11.333 -7.751 5.426 1.00 0.00 H new ATOM 0 HB3 MET A 30 -12.247 -9.246 5.446 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.233 -8.600 8.117 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.228 -7.008 7.384 1.00 0.00 H new ATOM 0 HE1 MET A 30 -15.803 -6.391 6.702 1.00 0.00 H new ATOM 0 HE2 MET A 30 -14.494 -6.021 7.850 1.00 0.00 H new ATOM 0 HE3 MET A 30 -14.189 -5.944 6.098 1.00 0.00 H new ATOM 444 N ASN A 31 -9.387 -10.531 4.655 1.00 0.00 N ATOM 445 CA ASN A 31 -9.122 -11.668 3.782 1.00 0.00 C ATOM 446 C ASN A 31 -7.841 -11.438 2.985 1.00 0.00 C ATOM 447 O ASN A 31 -7.885 -11.076 1.809 1.00 0.00 O ATOM 448 CB ASN A 31 -10.299 -11.902 2.832 1.00 0.00 C ATOM 449 CG ASN A 31 -10.726 -10.636 2.111 1.00 0.00 C ATOM 450 OD1 ASN A 31 -10.624 -9.535 2.650 1.00 0.00 O ATOM 451 ND2 ASN A 31 -11.211 -10.790 0.884 1.00 0.00 N ATOM 0 H ASN A 31 -8.887 -9.680 4.398 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.995 -12.555 4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.024 -12.659 2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.144 -12.297 3.396 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.517 -9.976 0.350 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.278 -11.722 0.475 1.00 0.00 H new ATOM 458 N LEU A 32 -6.702 -11.642 3.639 1.00 0.00 N ATOM 459 CA LEU A 32 -5.404 -11.447 3.001 1.00 0.00 C ATOM 460 C LEU A 32 -5.105 -12.554 1.992 1.00 0.00 C ATOM 461 O LEU A 32 -4.471 -12.312 0.965 1.00 0.00 O ATOM 462 CB LEU A 32 -4.298 -11.396 4.059 1.00 0.00 C ATOM 463 CG LEU A 32 -4.008 -10.007 4.631 1.00 0.00 C ATOM 464 CD1 LEU A 32 -2.940 -10.088 5.711 1.00 0.00 C ATOM 465 CD2 LEU A 32 -3.577 -9.057 3.525 1.00 0.00 C ATOM 0 H LEU A 32 -6.651 -11.943 4.612 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.437 -10.499 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.571 -12.060 4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.381 -11.790 3.622 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.923 -9.621 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.746 -9.091 6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.285 -10.737 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.022 -10.494 5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.375 -8.073 3.949 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.675 -9.439 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.373 -8.976 2.784 1.00 0.00 H new ATOM 477 N ARG A 33 -5.555 -13.767 2.294 1.00 0.00 N ATOM 478 CA ARG A 33 -5.322 -14.909 1.413 1.00 0.00 C ATOM 479 C ARG A 33 -6.322 -14.944 0.257 1.00 0.00 C ATOM 480 O ARG A 33 -6.139 -15.690 -0.704 1.00 0.00 O ATOM 481 CB ARG A 33 -5.400 -16.214 2.209 1.00 0.00 C ATOM 482 CG ARG A 33 -4.041 -16.741 2.641 1.00 0.00 C ATOM 483 CD ARG A 33 -3.966 -16.931 4.149 1.00 0.00 C ATOM 484 NE ARG A 33 -4.146 -18.328 4.535 1.00 0.00 N ATOM 485 CZ ARG A 33 -4.315 -18.734 5.791 1.00 0.00 C ATOM 486 NH1 ARG A 33 -4.330 -17.854 6.784 1.00 0.00 N ATOM 487 NH2 ARG A 33 -4.469 -20.024 6.055 1.00 0.00 N ATOM 0 H ARG A 33 -6.082 -13.986 3.139 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.324 -14.801 0.989 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.017 -16.055 3.093 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.899 -16.971 1.604 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.844 -17.691 2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.263 -16.047 2.322 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.001 -16.576 4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.731 -16.321 4.630 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.142 -19.034 3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.212 -16.860 6.587 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.460 -18.171 7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.458 -20.705 5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.599 -20.336 7.018 1.00 0.00 H new ATOM 501 N ALA A 34 -7.380 -14.143 0.352 1.00 0.00 N ATOM 502 CA ALA A 34 -8.395 -14.104 -0.693 1.00 0.00 C ATOM 503 C ALA A 34 -8.784 -12.671 -1.040 1.00 0.00 C ATOM 504 O ALA A 34 -9.131 -11.883 -0.163 1.00 0.00 O ATOM 505 CB ALA A 34 -9.622 -14.893 -0.263 1.00 0.00 C ATOM 0 H ALA A 34 -7.555 -13.516 1.137 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.972 -14.561 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.373 -14.856 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.341 -15.930 -0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.032 -14.459 0.649 1.00 0.00 H new ATOM 511 N ALA A 35 -8.729 -12.344 -2.327 1.00 0.00 N ATOM 512 CA ALA A 35 -9.082 -11.007 -2.791 1.00 0.00 C ATOM 513 C ALA A 35 -10.568 -10.740 -2.588 1.00 0.00 C ATOM 514 O ALA A 35 -11.308 -11.612 -2.132 1.00 0.00 O ATOM 515 CB ALA A 35 -8.708 -10.840 -4.256 1.00 0.00 C ATOM 0 H ALA A 35 -8.444 -12.986 -3.067 1.00 0.00 H new ATOM 0 HA ALA A 35 -8.521 -10.281 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.977 -9.837 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.635 -10.986 -4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.244 -11.577 -4.855 1.00 0.00 H new ATOM 521 N LEU A 36 -11.004 -9.531 -2.926 1.00 0.00 N ATOM 522 CA LEU A 36 -12.407 -9.160 -2.775 1.00 0.00 C ATOM 523 C LEU A 36 -13.168 -9.360 -4.080 1.00 0.00 C ATOM 524 O LEU A 36 -14.038 -10.225 -4.178 1.00 0.00 O ATOM 525 CB LEU A 36 -12.519 -7.702 -2.326 1.00 0.00 C ATOM 526 CG LEU A 36 -11.767 -7.359 -1.039 1.00 0.00 C ATOM 527 CD1 LEU A 36 -10.288 -7.144 -1.325 1.00 0.00 C ATOM 528 CD2 LEU A 36 -12.369 -6.127 -0.383 1.00 0.00 C ATOM 0 H LEU A 36 -10.409 -8.794 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.850 -9.806 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.148 -7.062 -3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.573 -7.461 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.864 -8.198 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.770 -6.901 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.864 -8.054 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.170 -6.323 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.822 -5.897 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.303 -5.281 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.415 -6.318 -0.142 1.00 0.00 H new ATOM 540 N THR A 37 -12.825 -8.559 -5.081 1.00 0.00 N ATOM 541 CA THR A 37 -13.465 -8.643 -6.391 1.00 0.00 C ATOM 542 C THR A 37 -12.807 -7.679 -7.373 1.00 0.00 C ATOM 543 O THR A 37 -12.091 -6.762 -6.970 1.00 0.00 O ATOM 544 CB THR A 37 -14.966 -8.338 -6.294 1.00 0.00 C ATOM 545 OG1 THR A 37 -15.396 -8.298 -4.945 1.00 0.00 O ATOM 546 CG2 THR A 37 -15.827 -9.350 -7.016 1.00 0.00 C ATOM 0 H THR A 37 -12.104 -7.840 -5.012 1.00 0.00 H new ATOM 0 HA THR A 37 -13.341 -9.663 -6.754 1.00 0.00 H new ATOM 0 HB THR A 37 -15.088 -7.365 -6.771 1.00 0.00 H new ATOM 0 HG1 THR A 37 -15.393 -9.205 -4.574 1.00 0.00 H new ATOM 0 HG21 THR A 37 -16.877 -9.077 -6.909 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.562 -9.365 -8.073 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.664 -10.339 -6.587 1.00 0.00 H new ATOM 554 N SER A 38 -13.056 -7.888 -8.662 1.00 0.00 N ATOM 555 CA SER A 38 -12.488 -7.030 -9.697 1.00 0.00 C ATOM 556 C SER A 38 -12.874 -5.575 -9.460 1.00 0.00 C ATOM 557 O SER A 38 -12.044 -4.673 -9.577 1.00 0.00 O ATOM 558 CB SER A 38 -12.965 -7.479 -11.079 1.00 0.00 C ATOM 559 OG SER A 38 -12.936 -8.891 -11.196 1.00 0.00 O ATOM 0 H SER A 38 -13.646 -8.642 -9.015 1.00 0.00 H new ATOM 0 HA SER A 38 -11.402 -7.113 -9.653 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.979 -7.118 -11.252 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.332 -7.034 -11.847 1.00 0.00 H new ATOM 0 HG SER A 38 -13.247 -9.152 -12.088 1.00 0.00 H new ATOM 565 N PHE A 39 -14.139 -5.355 -9.117 1.00 0.00 N ATOM 566 CA PHE A 39 -14.639 -4.010 -8.853 1.00 0.00 C ATOM 567 C PHE A 39 -14.153 -3.513 -7.495 1.00 0.00 C ATOM 568 O PHE A 39 -13.890 -2.323 -7.316 1.00 0.00 O ATOM 569 CB PHE A 39 -16.168 -3.995 -8.899 1.00 0.00 C ATOM 570 CG PHE A 39 -16.737 -2.786 -9.587 1.00 0.00 C ATOM 571 CD1 PHE A 39 -16.533 -1.517 -9.067 1.00 0.00 C ATOM 572 CD2 PHE A 39 -17.475 -2.919 -10.751 1.00 0.00 C ATOM 573 CE1 PHE A 39 -17.056 -0.403 -9.697 1.00 0.00 C ATOM 574 CE2 PHE A 39 -18.000 -1.809 -11.386 1.00 0.00 C ATOM 575 CZ PHE A 39 -17.790 -0.550 -10.858 1.00 0.00 C ATOM 0 H PHE A 39 -14.837 -6.091 -9.015 1.00 0.00 H new ATOM 0 HA PHE A 39 -14.254 -3.344 -9.625 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -16.517 -4.892 -9.411 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -16.554 -4.039 -7.881 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -15.959 -1.397 -8.160 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -17.642 -3.901 -11.168 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -16.891 0.580 -9.282 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -18.574 -1.926 -12.294 1.00 0.00 H new ATOM 0 HZ PHE A 39 -18.199 0.319 -11.352 1.00 0.00 H new ATOM 585 N GLN A 40 -14.039 -4.432 -6.541 1.00 0.00 N ATOM 586 CA GLN A 40 -13.587 -4.090 -5.197 1.00 0.00 C ATOM 587 C GLN A 40 -12.174 -3.515 -5.224 1.00 0.00 C ATOM 588 O GLN A 40 -11.940 -2.397 -4.766 1.00 0.00 O ATOM 589 CB GLN A 40 -13.635 -5.321 -4.290 1.00 0.00 C ATOM 590 CG GLN A 40 -14.848 -5.356 -3.371 1.00 0.00 C ATOM 591 CD GLN A 40 -16.139 -5.004 -4.085 1.00 0.00 C ATOM 592 OE1 GLN A 40 -16.466 -5.581 -5.122 1.00 0.00 O ATOM 593 NE2 GLN A 40 -16.880 -4.052 -3.531 1.00 0.00 N ATOM 0 H GLN A 40 -14.254 -5.420 -6.674 1.00 0.00 H new ATOM 0 HA GLN A 40 -14.259 -3.329 -4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.633 -6.218 -4.909 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.730 -5.350 -3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.939 -6.351 -2.935 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.693 -4.660 -2.546 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.570 -3.600 -2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.759 -3.772 -3.966 1.00 0.00 H new ATOM 602 N VAL A 41 -11.237 -4.287 -5.766 1.00 0.00 N ATOM 603 CA VAL A 41 -9.848 -3.851 -5.853 1.00 0.00 C ATOM 604 C VAL A 41 -9.741 -2.519 -6.588 1.00 0.00 C ATOM 605 O VAL A 41 -9.015 -1.621 -6.165 1.00 0.00 O ATOM 606 CB VAL A 41 -8.974 -4.898 -6.570 1.00 0.00 C ATOM 607 CG1 VAL A 41 -7.509 -4.484 -6.546 1.00 0.00 C ATOM 608 CG2 VAL A 41 -9.159 -6.270 -5.936 1.00 0.00 C ATOM 0 H VAL A 41 -11.414 -5.215 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.486 -3.730 -4.832 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.291 -4.956 -7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.910 -5.237 -7.058 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.394 -3.525 -7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.173 -4.393 -5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.535 -6.998 -6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.871 -6.227 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.204 -6.569 -6.013 1.00 0.00 H new ATOM 618 N ALA A 42 -10.479 -2.398 -7.687 1.00 0.00 N ATOM 619 CA ALA A 42 -10.474 -1.174 -8.475 1.00 0.00 C ATOM 620 C ALA A 42 -11.062 -0.015 -7.677 1.00 0.00 C ATOM 621 O ALA A 42 -10.624 1.128 -7.811 1.00 0.00 O ATOM 622 CB ALA A 42 -11.246 -1.377 -9.768 1.00 0.00 C ATOM 0 H ALA A 42 -11.087 -3.132 -8.050 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.441 -0.927 -8.721 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.234 -0.454 -10.348 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.782 -2.175 -10.347 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.276 -1.648 -9.538 1.00 0.00 H new ATOM 628 N GLN A 43 -12.051 -0.321 -6.843 1.00 0.00 N ATOM 629 CA GLN A 43 -12.694 0.695 -6.016 1.00 0.00 C ATOM 630 C GLN A 43 -11.669 1.386 -5.125 1.00 0.00 C ATOM 631 O GLN A 43 -11.537 2.609 -5.148 1.00 0.00 O ATOM 632 CB GLN A 43 -13.795 0.066 -5.160 1.00 0.00 C ATOM 633 CG GLN A 43 -15.015 0.957 -4.987 1.00 0.00 C ATOM 634 CD GLN A 43 -16.226 0.195 -4.484 1.00 0.00 C ATOM 635 OE1 GLN A 43 -16.124 -0.622 -3.569 1.00 0.00 O ATOM 636 NE2 GLN A 43 -17.382 0.459 -5.083 1.00 0.00 N ATOM 0 H GLN A 43 -12.424 -1.262 -6.722 1.00 0.00 H new ATOM 0 HA GLN A 43 -13.142 1.440 -6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -14.104 -0.875 -5.615 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.388 -0.173 -4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.779 1.759 -4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -15.256 1.426 -5.941 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -17.421 1.144 -5.838 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -18.231 -0.023 -4.788 1.00 0.00 H new ATOM 645 N TYR A 44 -10.938 0.593 -4.348 1.00 0.00 N ATOM 646 CA TYR A 44 -9.915 1.128 -3.458 1.00 0.00 C ATOM 647 C TYR A 44 -8.843 1.857 -4.260 1.00 0.00 C ATOM 648 O TYR A 44 -8.275 2.850 -3.804 1.00 0.00 O ATOM 649 CB TYR A 44 -9.283 0.003 -2.637 1.00 0.00 C ATOM 650 CG TYR A 44 -8.309 0.487 -1.587 1.00 0.00 C ATOM 651 CD1 TYR A 44 -6.990 0.776 -1.914 1.00 0.00 C ATOM 652 CD2 TYR A 44 -8.710 0.657 -0.267 1.00 0.00 C ATOM 653 CE1 TYR A 44 -6.098 1.219 -0.956 1.00 0.00 C ATOM 654 CE2 TYR A 44 -7.823 1.101 0.696 1.00 0.00 C ATOM 655 CZ TYR A 44 -6.519 1.379 0.347 1.00 0.00 C ATOM 656 OH TYR A 44 -5.633 1.821 1.303 1.00 0.00 O ATOM 0 H TYR A 44 -11.035 -0.422 -4.317 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.386 1.837 -2.777 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.074 -0.567 -2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.766 -0.680 -3.311 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.656 0.652 -2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.731 0.439 0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.076 1.439 -1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.150 1.229 1.717 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.964 2.402 0.885 1.00 0.00 H new ATOM 666 N ARG A 45 -8.578 1.356 -5.463 1.00 0.00 N ATOM 667 CA ARG A 45 -7.582 1.956 -6.341 1.00 0.00 C ATOM 668 C ARG A 45 -8.004 3.364 -6.748 1.00 0.00 C ATOM 669 O ARG A 45 -7.173 4.266 -6.856 1.00 0.00 O ATOM 670 CB ARG A 45 -7.383 1.086 -7.586 1.00 0.00 C ATOM 671 CG ARG A 45 -5.955 0.598 -7.769 1.00 0.00 C ATOM 672 CD ARG A 45 -5.535 0.628 -9.230 1.00 0.00 C ATOM 673 NE ARG A 45 -6.585 0.133 -10.117 1.00 0.00 N ATOM 674 CZ ARG A 45 -6.946 -1.146 -10.199 1.00 0.00 C ATOM 675 NH1 ARG A 45 -6.343 -2.062 -9.450 1.00 0.00 N ATOM 676 NH2 ARG A 45 -7.912 -1.510 -11.030 1.00 0.00 N ATOM 0 H ARG A 45 -9.041 0.534 -5.852 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.638 2.020 -5.799 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.047 0.224 -7.526 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.679 1.655 -8.467 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.279 1.221 -7.183 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.865 -0.418 -7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.276 1.649 -9.511 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.637 0.024 -9.360 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.070 0.807 -10.709 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.600 -1.787 -8.808 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.623 -3.040 -9.517 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.379 -0.810 -11.607 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.188 -2.490 -11.093 1.00 0.00 H new ATOM 690 N ASN A 46 -9.302 3.543 -6.968 1.00 0.00 N ATOM 691 CA ASN A 46 -9.840 4.840 -7.361 1.00 0.00 C ATOM 692 C ASN A 46 -9.734 5.840 -6.214 1.00 0.00 C ATOM 693 O ASN A 46 -9.579 7.040 -6.437 1.00 0.00 O ATOM 694 CB ASN A 46 -11.299 4.698 -7.800 1.00 0.00 C ATOM 695 CG ASN A 46 -11.457 4.741 -9.308 1.00 0.00 C ATOM 696 OD1 ASN A 46 -10.615 5.295 -10.015 1.00 0.00 O ATOM 697 ND2 ASN A 46 -12.540 4.156 -9.807 1.00 0.00 N ATOM 0 H ASN A 46 -10.001 2.806 -6.881 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.252 5.213 -8.200 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.699 3.757 -7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -11.889 5.498 -7.353 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.700 4.154 -10.814 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.211 3.709 -9.183 1.00 0.00 H new ATOM 704 N ILE A 47 -9.814 5.336 -4.985 1.00 0.00 N ATOM 705 CA ILE A 47 -9.724 6.189 -3.806 1.00 0.00 C ATOM 706 C ILE A 47 -8.404 6.954 -3.788 1.00 0.00 C ATOM 707 O ILE A 47 -8.390 8.184 -3.814 1.00 0.00 O ATOM 708 CB ILE A 47 -9.856 5.371 -2.505 1.00 0.00 C ATOM 709 CG1 ILE A 47 -11.151 4.557 -2.519 1.00 0.00 C ATOM 710 CG2 ILE A 47 -9.819 6.288 -1.290 1.00 0.00 C ATOM 711 CD1 ILE A 47 -11.292 3.624 -1.336 1.00 0.00 C ATOM 0 H ILE A 47 -9.941 4.345 -4.781 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.551 6.897 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 47 -9.012 4.684 -2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.000 5.240 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.194 3.973 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.913 5.693 -0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.873 6.830 -1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.644 6.999 -1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.233 3.080 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.463 2.916 -1.330 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.282 4.203 -0.413 1.00 0.00 H new ATOM 723 N LEU A 48 -7.297 6.219 -3.751 1.00 0.00 N ATOM 724 CA LEU A 48 -5.978 6.839 -3.739 1.00 0.00 C ATOM 725 C LEU A 48 -5.696 7.520 -5.072 1.00 0.00 C ATOM 726 O LEU A 48 -5.195 8.642 -5.114 1.00 0.00 O ATOM 727 CB LEU A 48 -4.891 5.799 -3.451 1.00 0.00 C ATOM 728 CG LEU A 48 -5.210 4.789 -2.342 1.00 0.00 C ATOM 729 CD1 LEU A 48 -3.929 4.163 -1.818 1.00 0.00 C ATOM 730 CD2 LEU A 48 -5.980 5.450 -1.208 1.00 0.00 C ATOM 0 H LEU A 48 -7.287 5.199 -3.729 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.966 7.588 -2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.688 5.249 -4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.974 6.324 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.838 4.005 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.169 3.448 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.416 3.649 -2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.282 4.942 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.194 4.712 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.382 6.257 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.916 5.855 -1.592 1.00 0.00 H new ATOM 742 N ASN A 49 -6.026 6.833 -6.162 1.00 0.00 N ATOM 743 CA ASN A 49 -5.810 7.370 -7.502 1.00 0.00 C ATOM 744 C ASN A 49 -6.469 8.740 -7.655 1.00 0.00 C ATOM 745 O ASN A 49 -5.953 9.612 -8.353 1.00 0.00 O ATOM 746 CB ASN A 49 -6.357 6.404 -8.553 1.00 0.00 C ATOM 747 CG ASN A 49 -6.088 6.880 -9.966 1.00 0.00 C ATOM 748 OD1 ASN A 49 -5.178 6.392 -10.637 1.00 0.00 O ATOM 749 ND2 ASN A 49 -6.883 7.837 -10.425 1.00 0.00 N ATOM 0 H ASN A 49 -6.444 5.903 -6.144 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.737 7.488 -7.651 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.906 5.422 -8.411 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.431 6.285 -8.410 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.753 8.198 -11.370 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.624 8.212 -9.833 1.00 0.00 H new ATOM 756 N ALA A 50 -7.608 8.921 -6.995 1.00 0.00 N ATOM 757 CA ALA A 50 -8.332 10.186 -7.057 1.00 0.00 C ATOM 758 C ALA A 50 -7.617 11.263 -6.251 1.00 0.00 C ATOM 759 O ALA A 50 -7.723 12.451 -6.549 1.00 0.00 O ATOM 760 CB ALA A 50 -9.757 10.013 -6.564 1.00 0.00 C ATOM 0 H ALA A 50 -8.049 8.210 -6.412 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.363 10.505 -8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.279 10.968 -6.619 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.272 9.282 -7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.745 9.665 -5.531 1.00 0.00 H new ATOM 766 N SER A 51 -6.886 10.839 -5.227 1.00 0.00 N ATOM 767 CA SER A 51 -6.148 11.768 -4.382 1.00 0.00 C ATOM 768 C SER A 51 -5.011 12.414 -5.168 1.00 0.00 C ATOM 769 O SER A 51 -4.653 13.568 -4.936 1.00 0.00 O ATOM 770 CB SER A 51 -5.591 11.041 -3.155 1.00 0.00 C ATOM 771 OG SER A 51 -6.040 11.648 -1.956 1.00 0.00 O ATOM 0 H SER A 51 -6.789 9.859 -4.962 1.00 0.00 H new ATOM 0 HA SER A 51 -6.831 12.549 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.901 9.996 -3.176 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.501 11.051 -3.186 1.00 0.00 H new ATOM 0 HG SER A 51 -5.672 11.165 -1.187 1.00 0.00 H new ATOM 777 N LEU A 52 -4.442 11.648 -6.092 1.00 0.00 N ATOM 778 CA LEU A 52 -3.332 12.122 -6.918 1.00 0.00 C ATOM 779 C LEU A 52 -3.745 13.306 -7.790 1.00 0.00 C ATOM 780 O LEU A 52 -3.131 14.371 -7.734 1.00 0.00 O ATOM 781 CB LEU A 52 -2.798 10.985 -7.799 1.00 0.00 C ATOM 782 CG LEU A 52 -2.972 9.572 -7.230 1.00 0.00 C ATOM 783 CD1 LEU A 52 -2.182 8.562 -8.046 1.00 0.00 C ATOM 784 CD2 LEU A 52 -2.543 9.525 -5.771 1.00 0.00 C ATOM 0 H LEU A 52 -4.732 10.690 -6.290 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.543 12.458 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.298 11.033 -8.766 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.737 11.157 -7.980 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.029 9.311 -7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.320 7.566 -7.625 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.535 8.572 -9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.124 8.823 -8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.674 8.514 -5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.494 9.811 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.153 10.217 -5.190 1.00 0.00 H new ATOM 796 N GLN A 53 -4.781 13.117 -8.601 1.00 0.00 N ATOM 797 CA GLN A 53 -5.261 14.177 -9.487 1.00 0.00 C ATOM 798 C GLN A 53 -5.555 15.456 -8.709 1.00 0.00 C ATOM 799 O GLN A 53 -4.965 16.504 -8.971 1.00 0.00 O ATOM 800 CB GLN A 53 -6.513 13.727 -10.245 1.00 0.00 C ATOM 801 CG GLN A 53 -7.527 12.988 -9.394 1.00 0.00 C ATOM 802 CD GLN A 53 -8.105 11.784 -10.107 1.00 0.00 C ATOM 803 OE1 GLN A 53 -9.264 11.787 -10.522 1.00 0.00 O ATOM 804 NE2 GLN A 53 -7.294 10.744 -10.256 1.00 0.00 N ATOM 0 H GLN A 53 -5.304 12.244 -8.665 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.470 14.386 -10.207 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.993 14.603 -10.682 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.211 13.083 -11.071 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.054 12.666 -8.466 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.334 13.668 -9.121 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.340 10.785 -9.896 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.624 9.904 -10.730 1.00 0.00 H new ATOM 813 N VAL A 54 -6.470 15.359 -7.753 1.00 0.00 N ATOM 814 CA VAL A 54 -6.849 16.503 -6.931 1.00 0.00 C ATOM 815 C VAL A 54 -5.631 17.158 -6.282 1.00 0.00 C ATOM 816 O VAL A 54 -5.668 18.336 -5.926 1.00 0.00 O ATOM 817 CB VAL A 54 -7.843 16.092 -5.828 1.00 0.00 C ATOM 818 CG1 VAL A 54 -9.247 15.966 -6.400 1.00 0.00 C ATOM 819 CG2 VAL A 54 -7.408 14.792 -5.166 1.00 0.00 C ATOM 0 H VAL A 54 -6.966 14.497 -7.527 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.325 17.222 -7.598 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.852 16.870 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.938 15.675 -5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.557 16.924 -6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.254 15.209 -7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.124 14.521 -4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.365 14.000 -5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.422 14.923 -4.719 1.00 0.00 H new ATOM 829 N ASP A 55 -4.554 16.390 -6.129 1.00 0.00 N ATOM 830 CA ASP A 55 -3.327 16.904 -5.522 1.00 0.00 C ATOM 831 C ASP A 55 -2.930 18.245 -6.133 1.00 0.00 C ATOM 832 O ASP A 55 -3.433 18.631 -7.188 1.00 0.00 O ATOM 833 CB ASP A 55 -2.188 15.897 -5.696 1.00 0.00 C ATOM 834 CG ASP A 55 -1.030 16.168 -4.756 1.00 0.00 C ATOM 835 OD1 ASP A 55 -1.241 16.858 -3.737 1.00 0.00 O ATOM 836 OD2 ASP A 55 0.088 15.689 -5.039 1.00 0.00 O ATOM 0 H ASP A 55 -4.505 15.412 -6.416 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.516 17.054 -4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.567 14.890 -5.521 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.832 15.929 -6.726 1.00 0.00 H new ATOM 841 N ARG A 56 -2.026 18.950 -5.463 1.00 0.00 N ATOM 842 CA ARG A 56 -1.563 20.247 -5.939 1.00 0.00 C ATOM 843 C ARG A 56 -0.384 20.089 -6.895 1.00 0.00 C ATOM 844 O ARG A 56 -0.227 20.866 -7.836 1.00 0.00 O ATOM 845 CB ARG A 56 -1.166 21.136 -4.759 1.00 0.00 C ATOM 846 CG ARG A 56 -2.350 21.798 -4.071 1.00 0.00 C ATOM 847 CD ARG A 56 -2.645 23.167 -4.661 1.00 0.00 C ATOM 848 NE ARG A 56 -3.875 23.742 -4.120 1.00 0.00 N ATOM 849 CZ ARG A 56 -4.204 25.027 -4.230 1.00 0.00 C ATOM 850 NH1 ARG A 56 -3.396 25.875 -4.856 1.00 0.00 N ATOM 851 NH2 ARG A 56 -5.343 25.467 -3.713 1.00 0.00 N ATOM 0 H ARG A 56 -1.599 18.645 -4.588 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.382 20.720 -6.480 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.621 20.536 -4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.482 21.909 -5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.230 21.162 -4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.144 21.897 -3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.810 23.838 -4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.729 23.084 -5.745 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.519 23.122 -3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.518 25.543 -5.255 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.653 26.859 -4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.967 24.821 -3.231 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.595 26.452 -3.798 1.00 0.00 H new ATOM 865 N ASP A 57 0.440 19.077 -6.647 1.00 0.00 N ATOM 866 CA ASP A 57 1.604 18.816 -7.487 1.00 0.00 C ATOM 867 C ASP A 57 1.257 17.851 -8.616 1.00 0.00 C ATOM 868 O ASP A 57 1.224 16.636 -8.420 1.00 0.00 O ATOM 869 CB ASP A 57 2.749 18.246 -6.646 1.00 0.00 C ATOM 870 CG ASP A 57 3.509 19.322 -5.897 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.889 20.346 -5.538 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.723 19.143 -5.669 1.00 0.00 O ATOM 0 H ASP A 57 0.324 18.424 -5.872 1.00 0.00 H new ATOM 0 HA ASP A 57 1.921 19.761 -7.927 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.348 17.525 -5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.437 17.704 -7.295 1.00 0.00 H new ATOM 877 N ALA A 58 0.995 18.400 -9.798 1.00 0.00 N ATOM 878 CA ALA A 58 0.650 17.589 -10.959 1.00 0.00 C ATOM 879 C ALA A 58 1.831 16.735 -11.407 1.00 0.00 C ATOM 880 O ALA A 58 1.650 15.646 -11.951 1.00 0.00 O ATOM 881 CB ALA A 58 0.175 18.477 -12.099 1.00 0.00 C ATOM 0 H ALA A 58 1.015 19.404 -9.976 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.159 16.917 -10.673 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.079 17.859 -12.960 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.705 19.037 -11.782 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.968 19.172 -12.373 1.00 0.00 H new ATOM 887 N ALA A 59 3.041 17.237 -11.178 1.00 0.00 N ATOM 888 CA ALA A 59 4.250 16.518 -11.560 1.00 0.00 C ATOM 889 C ALA A 59 4.459 15.288 -10.685 1.00 0.00 C ATOM 890 O ALA A 59 4.735 14.198 -11.185 1.00 0.00 O ATOM 891 CB ALA A 59 5.459 17.439 -11.476 1.00 0.00 C ATOM 0 H ALA A 59 3.209 18.138 -10.730 1.00 0.00 H new ATOM 0 HA ALA A 59 4.132 16.182 -12.590 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.355 16.890 -11.764 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.320 18.285 -12.149 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.569 17.803 -10.454 1.00 0.00 H new ATOM 897 N ARG A 60 4.325 15.470 -9.376 1.00 0.00 N ATOM 898 CA ARG A 60 4.500 14.375 -8.430 1.00 0.00 C ATOM 899 C ARG A 60 3.420 13.315 -8.623 1.00 0.00 C ATOM 900 O ARG A 60 3.697 12.117 -8.571 1.00 0.00 O ATOM 901 CB ARG A 60 4.467 14.903 -6.993 1.00 0.00 C ATOM 902 CG ARG A 60 5.562 14.329 -6.108 1.00 0.00 C ATOM 903 CD ARG A 60 6.030 15.340 -5.074 1.00 0.00 C ATOM 904 NE ARG A 60 7.308 14.961 -4.475 1.00 0.00 N ATOM 905 CZ ARG A 60 8.095 15.805 -3.813 1.00 0.00 C ATOM 906 NH1 ARG A 60 7.740 17.075 -3.661 1.00 0.00 N ATOM 907 NH2 ARG A 60 9.242 15.379 -3.301 1.00 0.00 N ATOM 0 H ARG A 60 4.096 16.366 -8.946 1.00 0.00 H new ATOM 0 HA ARG A 60 5.471 13.916 -8.616 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.559 15.989 -7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.497 14.672 -6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.193 13.436 -5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 60 6.406 14.021 -6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.126 16.319 -5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.277 15.433 -4.292 1.00 0.00 H new ATOM 0 HE ARG A 60 7.615 13.993 -4.570 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.859 17.409 -4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.348 17.717 -3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.521 14.404 -3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.845 16.026 -2.793 1.00 0.00 H new ATOM 921 N SER A 61 2.189 13.765 -8.851 1.00 0.00 N ATOM 922 CA SER A 61 1.066 12.856 -9.055 1.00 0.00 C ATOM 923 C SER A 61 1.365 11.856 -10.169 1.00 0.00 C ATOM 924 O SER A 61 0.959 10.697 -10.100 1.00 0.00 O ATOM 925 CB SER A 61 -0.201 13.645 -9.390 1.00 0.00 C ATOM 926 OG SER A 61 0.089 14.738 -10.245 1.00 0.00 O ATOM 0 H SER A 61 1.944 14.754 -8.899 1.00 0.00 H new ATOM 0 HA SER A 61 0.909 12.302 -8.129 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.927 12.987 -9.869 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.659 14.010 -8.471 1.00 0.00 H new ATOM 0 HG SER A 61 0.850 14.511 -10.819 1.00 0.00 H new ATOM 932 N ARG A 62 2.077 12.314 -11.193 1.00 0.00 N ATOM 933 CA ARG A 62 2.429 11.461 -12.323 1.00 0.00 C ATOM 934 C ARG A 62 3.257 10.262 -11.871 1.00 0.00 C ATOM 935 O ARG A 62 3.031 9.139 -12.317 1.00 0.00 O ATOM 936 CB ARG A 62 3.203 12.263 -13.370 1.00 0.00 C ATOM 937 CG ARG A 62 2.311 13.027 -14.336 1.00 0.00 C ATOM 938 CD ARG A 62 2.478 12.533 -15.764 1.00 0.00 C ATOM 939 NE ARG A 62 2.174 11.110 -15.890 1.00 0.00 N ATOM 940 CZ ARG A 62 1.895 10.511 -17.046 1.00 0.00 C ATOM 941 NH1 ARG A 62 1.883 11.208 -18.176 1.00 0.00 N ATOM 942 NH2 ARG A 62 1.628 9.213 -17.072 1.00 0.00 N ATOM 0 H ARG A 62 2.422 13.271 -11.264 1.00 0.00 H new ATOM 0 HA ARG A 62 1.504 11.091 -12.765 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.861 12.968 -12.862 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.840 11.584 -13.937 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.270 12.919 -14.033 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.549 14.090 -14.288 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.824 13.103 -16.424 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.501 12.716 -16.094 1.00 0.00 H new ATOM 0 HE ARG A 62 2.176 10.542 -15.043 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.088 12.207 -18.161 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.669 10.744 -19.059 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.636 8.673 -16.207 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.414 8.754 -17.957 1.00 0.00 H new ATOM 956 N ARG A 63 4.218 10.509 -10.987 1.00 0.00 N ATOM 957 CA ARG A 63 5.081 9.448 -10.481 1.00 0.00 C ATOM 958 C ARG A 63 4.266 8.371 -9.769 1.00 0.00 C ATOM 959 O ARG A 63 4.353 7.190 -10.105 1.00 0.00 O ATOM 960 CB ARG A 63 6.126 10.025 -9.524 1.00 0.00 C ATOM 961 CG ARG A 63 7.330 10.625 -10.230 1.00 0.00 C ATOM 962 CD ARG A 63 8.594 10.467 -9.400 1.00 0.00 C ATOM 963 NE ARG A 63 9.797 10.475 -10.227 1.00 0.00 N ATOM 964 CZ ARG A 63 11.028 10.629 -9.744 1.00 0.00 C ATOM 965 NH1 ARG A 63 11.220 10.786 -8.440 1.00 0.00 N ATOM 966 NH2 ARG A 63 12.069 10.625 -10.566 1.00 0.00 N ATOM 0 H ARG A 63 4.419 11.434 -10.606 1.00 0.00 H new ATOM 0 HA ARG A 63 5.587 8.992 -11.332 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.658 10.792 -8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.465 9.237 -8.851 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.465 10.141 -11.197 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.150 11.682 -10.425 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.651 11.274 -8.670 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.545 9.533 -8.840 1.00 0.00 H new ATOM 0 HE ARG A 63 9.688 10.356 -11.234 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.423 10.789 -7.804 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.165 10.904 -8.074 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.927 10.504 -11.569 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.012 10.743 -10.195 1.00 0.00 H new ATOM 980 N LEU A 64 3.474 8.787 -8.788 1.00 0.00 N ATOM 981 CA LEU A 64 2.641 7.854 -8.031 1.00 0.00 C ATOM 982 C LEU A 64 1.502 7.318 -8.893 1.00 0.00 C ATOM 983 O LEU A 64 1.088 6.168 -8.744 1.00 0.00 O ATOM 984 CB LEU A 64 2.076 8.509 -6.760 1.00 0.00 C ATOM 985 CG LEU A 64 1.926 10.033 -6.803 1.00 0.00 C ATOM 986 CD1 LEU A 64 0.716 10.472 -5.993 1.00 0.00 C ATOM 987 CD2 LEU A 64 3.187 10.704 -6.281 1.00 0.00 C ATOM 0 H LEU A 64 3.389 9.761 -8.497 1.00 0.00 H new ATOM 0 HA LEU A 64 3.277 7.021 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.099 8.073 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.724 8.250 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 64 1.775 10.337 -7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.625 11.557 -6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.184 10.016 -6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.838 10.158 -4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.065 11.787 -6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.365 10.394 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.036 10.413 -6.899 1.00 0.00 H new ATOM 999 N MET A 65 0.999 8.157 -9.794 1.00 0.00 N ATOM 1000 CA MET A 65 -0.095 7.765 -10.679 1.00 0.00 C ATOM 1001 C MET A 65 0.246 6.483 -11.434 1.00 0.00 C ATOM 1002 O MET A 65 -0.620 5.635 -11.661 1.00 0.00 O ATOM 1003 CB MET A 65 -0.404 8.888 -11.673 1.00 0.00 C ATOM 1004 CG MET A 65 -1.442 9.879 -11.169 1.00 0.00 C ATOM 1005 SD MET A 65 -2.911 9.947 -12.214 1.00 0.00 S ATOM 1006 CE MET A 65 -4.156 10.417 -11.015 1.00 0.00 C ATOM 0 H MET A 65 1.331 9.112 -9.931 1.00 0.00 H new ATOM 0 HA MET A 65 -0.976 7.580 -10.064 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.517 9.424 -11.901 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.756 8.449 -12.606 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.735 9.606 -10.155 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.994 10.871 -11.115 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.144 10.345 -11.469 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.103 9.750 -10.155 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.980 11.442 -10.690 1.00 0.00 H new ATOM 1016 N ALA A 66 1.512 6.340 -11.811 1.00 0.00 N ATOM 1017 CA ALA A 66 1.964 5.156 -12.529 1.00 0.00 C ATOM 1018 C ALA A 66 2.201 4.005 -11.563 1.00 0.00 C ATOM 1019 O ALA A 66 1.992 2.840 -11.903 1.00 0.00 O ATOM 1020 CB ALA A 66 3.231 5.463 -13.314 1.00 0.00 C ATOM 0 H ALA A 66 2.242 7.029 -11.631 1.00 0.00 H new ATOM 0 HA ALA A 66 1.185 4.860 -13.232 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.556 4.568 -13.845 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.030 6.258 -14.032 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.015 5.783 -12.628 1.00 0.00 H new ATOM 1026 N LYS A 67 2.629 4.341 -10.350 1.00 0.00 N ATOM 1027 CA LYS A 67 2.882 3.337 -9.327 1.00 0.00 C ATOM 1028 C LYS A 67 1.574 2.690 -8.887 1.00 0.00 C ATOM 1029 O LYS A 67 1.542 1.518 -8.510 1.00 0.00 O ATOM 1030 CB LYS A 67 3.591 3.968 -8.125 1.00 0.00 C ATOM 1031 CG LYS A 67 4.922 3.316 -7.793 1.00 0.00 C ATOM 1032 CD LYS A 67 5.573 3.964 -6.581 1.00 0.00 C ATOM 1033 CE LYS A 67 5.843 5.443 -6.814 1.00 0.00 C ATOM 1034 NZ LYS A 67 7.251 5.807 -6.498 1.00 0.00 N ATOM 0 H LYS A 67 2.807 5.301 -10.053 1.00 0.00 H new ATOM 0 HA LYS A 67 3.529 2.567 -9.748 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.755 5.027 -8.325 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.938 3.905 -7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.770 2.254 -7.601 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.590 3.393 -8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.926 3.844 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.509 3.454 -6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.628 5.692 -7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.168 6.037 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.394 6.823 -6.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.449 5.594 -5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.895 5.259 -7.103 1.00 0.00 H new ATOM 1048 N LEU A 68 0.494 3.463 -8.946 1.00 0.00 N ATOM 1049 CA LEU A 68 -0.823 2.972 -8.566 1.00 0.00 C ATOM 1050 C LEU A 68 -1.402 2.086 -9.662 1.00 0.00 C ATOM 1051 O LEU A 68 -2.176 1.170 -9.392 1.00 0.00 O ATOM 1052 CB LEU A 68 -1.765 4.145 -8.286 1.00 0.00 C ATOM 1053 CG LEU A 68 -3.179 3.753 -7.849 1.00 0.00 C ATOM 1054 CD1 LEU A 68 -3.673 4.673 -6.744 1.00 0.00 C ATOM 1055 CD2 LEU A 68 -4.131 3.785 -9.035 1.00 0.00 C ATOM 0 H LEU A 68 0.507 4.435 -9.255 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.719 2.377 -7.658 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.322 4.769 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.836 4.756 -9.186 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.148 2.736 -7.459 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.680 4.378 -6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.006 4.601 -5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.688 5.701 -7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.131 3.504 -8.706 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.156 4.791 -9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.788 3.083 -9.796 1.00 0.00 H new ATOM 1067 N ALA A 69 -1.016 2.366 -10.905 1.00 0.00 N ATOM 1068 CA ALA A 69 -1.492 1.591 -12.044 1.00 0.00 C ATOM 1069 C ALA A 69 -1.200 0.105 -11.857 1.00 0.00 C ATOM 1070 O ALA A 69 -1.872 -0.748 -12.438 1.00 0.00 O ATOM 1071 CB ALA A 69 -0.853 2.097 -13.329 1.00 0.00 C ATOM 0 H ALA A 69 -0.376 3.123 -11.147 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.572 1.717 -12.113 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.217 1.510 -14.172 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.114 3.145 -13.477 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.230 1.999 -13.260 1.00 0.00 H new ATOM 1077 N ASP A 70 -0.194 -0.197 -11.042 1.00 0.00 N ATOM 1078 CA ASP A 70 0.190 -1.579 -10.775 1.00 0.00 C ATOM 1079 C ASP A 70 -0.308 -2.035 -9.404 1.00 0.00 C ATOM 1080 O ASP A 70 0.166 -3.035 -8.865 1.00 0.00 O ATOM 1081 CB ASP A 70 1.712 -1.727 -10.855 1.00 0.00 C ATOM 1082 CG ASP A 70 2.151 -2.557 -12.045 1.00 0.00 C ATOM 1083 OD1 ASP A 70 1.861 -2.152 -13.190 1.00 0.00 O ATOM 1084 OD2 ASP A 70 2.786 -3.611 -11.832 1.00 0.00 O ATOM 0 H ASP A 70 0.371 0.498 -10.554 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.273 -2.211 -11.533 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.167 -0.739 -10.917 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.078 -2.189 -9.938 1.00 0.00 H new ATOM 1089 N PHE A 71 -1.265 -1.298 -8.840 1.00 0.00 N ATOM 1090 CA PHE A 71 -1.820 -1.634 -7.532 1.00 0.00 C ATOM 1091 C PHE A 71 -2.262 -3.094 -7.479 1.00 0.00 C ATOM 1092 O PHE A 71 -3.018 -3.557 -8.334 1.00 0.00 O ATOM 1093 CB PHE A 71 -3.004 -0.721 -7.207 1.00 0.00 C ATOM 1094 CG PHE A 71 -3.446 -0.796 -5.774 1.00 0.00 C ATOM 1095 CD1 PHE A 71 -2.738 -0.136 -4.781 1.00 0.00 C ATOM 1096 CD2 PHE A 71 -4.569 -1.526 -5.418 1.00 0.00 C ATOM 1097 CE1 PHE A 71 -3.143 -0.202 -3.461 1.00 0.00 C ATOM 1098 CE2 PHE A 71 -4.978 -1.596 -4.099 1.00 0.00 C ATOM 1099 CZ PHE A 71 -4.264 -0.933 -3.119 1.00 0.00 C ATOM 0 H PHE A 71 -1.670 -0.466 -9.269 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.037 -1.485 -6.789 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.733 0.308 -7.441 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -3.843 -0.985 -7.851 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.860 0.436 -5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.131 -2.046 -6.180 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.583 0.318 -2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.855 -2.168 -3.835 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.582 -0.986 -2.088 1.00 0.00 H new ATOM 1109 N ALA A 72 -1.785 -3.815 -6.468 1.00 0.00 N ATOM 1110 CA ALA A 72 -2.130 -5.222 -6.301 1.00 0.00 C ATOM 1111 C ALA A 72 -1.631 -6.054 -7.478 1.00 0.00 C ATOM 1112 O ALA A 72 -2.353 -6.901 -8.004 1.00 0.00 O ATOM 1113 CB ALA A 72 -3.635 -5.380 -6.138 1.00 0.00 C ATOM 0 H ALA A 72 -1.158 -3.447 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.638 -5.587 -5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.879 -6.435 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.966 -4.826 -5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.140 -4.992 -7.023 1.00 0.00 H new ATOM 1119 N VAL A 73 -0.390 -5.808 -7.886 1.00 0.00 N ATOM 1120 CA VAL A 73 0.205 -6.537 -8.999 1.00 0.00 C ATOM 1121 C VAL A 73 0.982 -7.754 -8.506 1.00 0.00 C ATOM 1122 O VAL A 73 1.476 -7.772 -7.378 1.00 0.00 O ATOM 1123 CB VAL A 73 1.146 -5.634 -9.823 1.00 0.00 C ATOM 1124 CG1 VAL A 73 2.285 -5.114 -8.959 1.00 0.00 C ATOM 1125 CG2 VAL A 73 1.686 -6.383 -11.034 1.00 0.00 C ATOM 0 H VAL A 73 0.222 -5.110 -7.463 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.615 -6.869 -9.636 1.00 0.00 H new ATOM 0 HB VAL A 73 0.572 -4.779 -10.180 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.937 -4.479 -9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.878 -4.535 -8.130 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.858 -5.955 -8.567 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.347 -5.728 -11.602 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.241 -7.260 -10.701 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.856 -6.698 -11.667 1.00 0.00 H new ATOM 1135 N GLU A 74 1.086 -8.769 -9.357 1.00 0.00 N ATOM 1136 CA GLU A 74 1.802 -9.990 -9.007 1.00 0.00 C ATOM 1137 C GLU A 74 3.304 -9.738 -8.931 1.00 0.00 C ATOM 1138 O GLU A 74 3.952 -9.473 -9.944 1.00 0.00 O ATOM 1139 CB GLU A 74 1.508 -11.088 -10.031 1.00 0.00 C ATOM 1140 CG GLU A 74 0.222 -11.850 -9.752 1.00 0.00 C ATOM 1141 CD GLU A 74 0.397 -13.352 -9.861 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.923 -13.959 -8.904 1.00 0.00 O ATOM 1143 OE2 GLU A 74 0.009 -13.922 -10.902 1.00 0.00 O ATOM 0 H GLU A 74 0.683 -8.770 -10.294 1.00 0.00 H new ATOM 0 HA GLU A 74 1.457 -10.315 -8.025 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.448 -10.641 -11.024 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.341 -11.791 -10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.133 -11.601 -8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.547 -11.526 -10.453 1.00 0.00 H new ATOM 1150 N GLN A 75 3.852 -9.824 -7.723 1.00 0.00 N ATOM 1151 CA GLN A 75 5.279 -9.605 -7.512 1.00 0.00 C ATOM 1152 C GLN A 75 5.781 -10.415 -6.322 1.00 0.00 C ATOM 1153 O GLN A 75 5.011 -10.770 -5.430 1.00 0.00 O ATOM 1154 CB GLN A 75 5.561 -8.119 -7.289 1.00 0.00 C ATOM 1155 CG GLN A 75 4.685 -7.488 -6.218 1.00 0.00 C ATOM 1156 CD GLN A 75 4.491 -5.999 -6.427 1.00 0.00 C ATOM 1157 OE1 GLN A 75 3.391 -5.473 -6.252 1.00 0.00 O ATOM 1158 NE2 GLN A 75 5.561 -5.310 -6.806 1.00 0.00 N ATOM 0 H GLN A 75 3.330 -10.044 -6.875 1.00 0.00 H new ATOM 0 HA GLN A 75 5.809 -9.937 -8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.608 -7.994 -7.011 1.00 0.00 H new ATOM 0 HB3 GLN A 75 5.415 -7.585 -8.228 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.712 -7.980 -6.213 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.134 -7.658 -5.239 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.453 -5.786 -6.939 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.491 -4.305 -6.964 1.00 0.00 H new ATOM 1167 N GLU A 76 7.078 -10.705 -6.315 1.00 0.00 N ATOM 1168 CA GLU A 76 7.684 -11.474 -5.233 1.00 0.00 C ATOM 1169 C GLU A 76 8.064 -10.570 -4.066 1.00 0.00 C ATOM 1170 O GLU A 76 8.818 -9.611 -4.230 1.00 0.00 O ATOM 1171 CB GLU A 76 8.923 -12.217 -5.737 1.00 0.00 C ATOM 1172 CG GLU A 76 9.238 -13.478 -4.949 1.00 0.00 C ATOM 1173 CD GLU A 76 8.490 -14.691 -5.466 1.00 0.00 C ATOM 1174 OE1 GLU A 76 8.410 -14.857 -6.701 1.00 0.00 O ATOM 1175 OE2 GLU A 76 7.985 -15.476 -4.636 1.00 0.00 O ATOM 0 H GLU A 76 7.730 -10.419 -7.046 1.00 0.00 H new ATOM 0 HA GLU A 76 6.948 -12.199 -4.884 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.778 -12.480 -6.785 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.781 -11.547 -5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.310 -13.671 -4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.985 -13.319 -3.901 1.00 0.00 H new ATOM 1182 N VAL A 77 7.540 -10.885 -2.886 1.00 0.00 N ATOM 1183 CA VAL A 77 7.829 -10.103 -1.691 1.00 0.00 C ATOM 1184 C VAL A 77 9.165 -10.510 -1.089 1.00 0.00 C ATOM 1185 O VAL A 77 9.675 -11.598 -1.361 1.00 0.00 O ATOM 1186 CB VAL A 77 6.724 -10.259 -0.631 1.00 0.00 C ATOM 1187 CG1 VAL A 77 6.966 -9.319 0.540 1.00 0.00 C ATOM 1188 CG2 VAL A 77 5.355 -10.008 -1.248 1.00 0.00 C ATOM 0 H VAL A 77 6.914 -11.675 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 77 7.873 -9.058 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 77 6.750 -11.282 -0.256 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.174 -9.445 1.278 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.928 -9.548 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.970 -8.289 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.585 -10.122 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.318 -8.996 -1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.180 -10.725 -2.050 1.00 0.00 H new ATOM 1198 N THR A 78 9.737 -9.624 -0.285 1.00 0.00 N ATOM 1199 CA THR A 78 11.024 -9.889 0.337 1.00 0.00 C ATOM 1200 C THR A 78 11.176 -9.120 1.643 1.00 0.00 C ATOM 1201 O THR A 78 10.453 -8.156 1.894 1.00 0.00 O ATOM 1202 CB THR A 78 12.148 -9.502 -0.621 1.00 0.00 C ATOM 1203 OG1 THR A 78 11.673 -9.430 -1.953 1.00 0.00 O ATOM 1204 CG2 THR A 78 13.300 -10.471 -0.599 1.00 0.00 C ATOM 0 H THR A 78 9.330 -8.719 -0.050 1.00 0.00 H new ATOM 0 HA THR A 78 11.080 -10.954 0.561 1.00 0.00 H new ATOM 0 HB THR A 78 12.500 -8.529 -0.278 1.00 0.00 H new ATOM 0 HG1 THR A 78 12.409 -9.179 -2.550 1.00 0.00 H new ATOM 0 HG21 THR A 78 14.066 -10.141 -1.301 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.721 -10.513 0.405 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.948 -11.462 -0.886 1.00 0.00 H new ATOM 1212 N ALA A 79 12.132 -9.541 2.466 1.00 0.00 N ATOM 1213 CA ALA A 79 12.381 -8.873 3.733 1.00 0.00 C ATOM 1214 C ALA A 79 12.867 -7.454 3.485 1.00 0.00 C ATOM 1215 O ALA A 79 13.519 -7.178 2.479 1.00 0.00 O ATOM 1216 CB ALA A 79 13.385 -9.647 4.568 1.00 0.00 C ATOM 0 H ALA A 79 12.742 -10.337 2.277 1.00 0.00 H new ATOM 0 HA ALA A 79 11.446 -8.831 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.553 -9.126 5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.997 -10.646 4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.326 -9.726 4.024 1.00 0.00 H new ATOM 1222 N GLY A 80 12.524 -6.552 4.392 1.00 0.00 N ATOM 1223 CA GLY A 80 12.911 -5.166 4.234 1.00 0.00 C ATOM 1224 C GLY A 80 11.812 -4.363 3.571 1.00 0.00 C ATOM 1225 O GLY A 80 11.642 -3.176 3.848 1.00 0.00 O ATOM 0 H GLY A 80 11.985 -6.755 5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.141 -4.737 5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.820 -5.105 3.636 1.00 0.00 H new ATOM 1229 N ASP A 81 11.045 -5.028 2.707 1.00 0.00 N ATOM 1230 CA ASP A 81 9.936 -4.386 2.017 1.00 0.00 C ATOM 1231 C ASP A 81 8.760 -4.226 2.978 1.00 0.00 C ATOM 1232 O ASP A 81 8.947 -4.234 4.195 1.00 0.00 O ATOM 1233 CB ASP A 81 9.524 -5.213 0.796 1.00 0.00 C ATOM 1234 CG ASP A 81 10.705 -5.568 -0.085 1.00 0.00 C ATOM 1235 OD1 ASP A 81 11.123 -4.711 -0.893 1.00 0.00 O ATOM 1236 OD2 ASP A 81 11.214 -6.703 0.032 1.00 0.00 O ATOM 0 H ASP A 81 11.175 -6.012 2.471 1.00 0.00 H new ATOM 0 HA ASP A 81 10.248 -3.400 1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 81 9.034 -6.128 1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.793 -4.654 0.212 1.00 0.00 H new ATOM 1241 N ARG A 82 7.552 -4.084 2.443 1.00 0.00 N ATOM 1242 CA ARG A 82 6.374 -3.929 3.286 1.00 0.00 C ATOM 1243 C ARG A 82 5.108 -4.370 2.565 1.00 0.00 C ATOM 1244 O ARG A 82 4.998 -4.252 1.345 1.00 0.00 O ATOM 1245 CB ARG A 82 6.224 -2.472 3.732 1.00 0.00 C ATOM 1246 CG ARG A 82 7.149 -2.082 4.872 1.00 0.00 C ATOM 1247 CD ARG A 82 8.361 -1.313 4.369 1.00 0.00 C ATOM 1248 NE ARG A 82 8.795 -0.293 5.320 1.00 0.00 N ATOM 1249 CZ ARG A 82 10.031 0.199 5.371 1.00 0.00 C ATOM 1250 NH1 ARG A 82 10.959 -0.227 4.523 1.00 0.00 N ATOM 1251 NH2 ARG A 82 10.340 1.122 6.270 1.00 0.00 N ATOM 0 H ARG A 82 7.364 -4.073 1.440 1.00 0.00 H new ATOM 0 HA ARG A 82 6.513 -4.566 4.159 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.417 -1.819 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.192 -2.300 4.038 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.603 -1.472 5.592 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.478 -2.978 5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.180 -2.008 4.184 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.121 -0.842 3.416 1.00 0.00 H new ATOM 0 HE ARG A 82 8.109 0.064 5.986 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.727 -0.935 3.827 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.904 0.154 4.567 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.631 1.456 6.923 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.287 1.499 6.309 1.00 0.00 H new ATOM 1265 N VAL A 83 4.147 -4.859 3.339 1.00 0.00 N ATOM 1266 CA VAL A 83 2.873 -5.301 2.796 1.00 0.00 C ATOM 1267 C VAL A 83 1.768 -4.340 3.216 1.00 0.00 C ATOM 1268 O VAL A 83 1.497 -4.175 4.406 1.00 0.00 O ATOM 1269 CB VAL A 83 2.514 -6.722 3.273 1.00 0.00 C ATOM 1270 CG1 VAL A 83 1.212 -7.190 2.639 1.00 0.00 C ATOM 1271 CG2 VAL A 83 3.644 -7.693 2.963 1.00 0.00 C ATOM 0 H VAL A 83 4.229 -4.959 4.351 1.00 0.00 H new ATOM 0 HA VAL A 83 2.966 -5.316 1.710 1.00 0.00 H new ATOM 0 HB VAL A 83 2.375 -6.695 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.977 -8.195 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.406 -6.511 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.318 -7.199 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.371 -8.691 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.819 -7.716 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.552 -7.369 3.472 1.00 0.00 H new ATOM 1281 N VAL A 84 1.140 -3.701 2.239 1.00 0.00 N ATOM 1282 CA VAL A 84 0.075 -2.751 2.524 1.00 0.00 C ATOM 1283 C VAL A 84 -1.288 -3.428 2.499 1.00 0.00 C ATOM 1284 O VAL A 84 -1.714 -3.958 1.474 1.00 0.00 O ATOM 1285 CB VAL A 84 0.081 -1.582 1.522 1.00 0.00 C ATOM 1286 CG1 VAL A 84 -0.192 -2.080 0.110 1.00 0.00 C ATOM 1287 CG2 VAL A 84 -0.931 -0.521 1.933 1.00 0.00 C ATOM 0 H VAL A 84 1.348 -3.822 1.248 1.00 0.00 H new ATOM 0 HA VAL A 84 0.260 -2.359 3.524 1.00 0.00 H new ATOM 0 HB VAL A 84 1.071 -1.127 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.183 -1.237 -0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.579 -2.795 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.167 -2.565 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.913 0.297 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.928 -0.960 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.677 -0.140 2.922 1.00 0.00 H new ATOM 1297 N VAL A 85 -1.966 -3.407 3.641 1.00 0.00 N ATOM 1298 CA VAL A 85 -3.281 -4.020 3.760 1.00 0.00 C ATOM 1299 C VAL A 85 -4.386 -2.976 3.616 1.00 0.00 C ATOM 1300 O VAL A 85 -4.349 -1.927 4.261 1.00 0.00 O ATOM 1301 CB VAL A 85 -3.437 -4.750 5.109 1.00 0.00 C ATOM 1302 CG1 VAL A 85 -4.649 -5.664 5.082 1.00 0.00 C ATOM 1303 CG2 VAL A 85 -2.177 -5.537 5.442 1.00 0.00 C ATOM 0 H VAL A 85 -1.625 -2.971 4.498 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.372 -4.748 2.954 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.588 -4.003 5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.744 -6.171 6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.546 -5.074 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.529 -6.404 4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.307 -6.045 6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.992 -6.275 4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.329 -4.856 5.506 1.00 0.00 H new ATOM 1313 N ILE A 86 -5.361 -3.262 2.757 1.00 0.00 N ATOM 1314 CA ILE A 86 -6.467 -2.341 2.519 1.00 0.00 C ATOM 1315 C ILE A 86 -7.384 -2.220 3.735 1.00 0.00 C ATOM 1316 O ILE A 86 -8.188 -1.293 3.821 1.00 0.00 O ATOM 1317 CB ILE A 86 -7.304 -2.766 1.296 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -7.950 -4.134 1.532 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -6.436 -2.795 0.047 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -9.160 -4.384 0.659 1.00 0.00 C ATOM 0 H ILE A 86 -5.407 -4.125 2.214 1.00 0.00 H new ATOM 0 HA ILE A 86 -6.015 -1.369 2.324 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.099 -2.034 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.211 -4.914 1.348 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.243 -4.214 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.040 -3.097 -0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.023 -1.802 -0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.622 -3.507 0.186 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.569 -5.371 0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.917 -3.625 0.860 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.868 -4.336 -0.390 1.00 0.00 H new ATOM 1332 N ASP A 87 -7.259 -3.151 4.677 1.00 0.00 N ATOM 1333 CA ASP A 87 -8.079 -3.123 5.882 1.00 0.00 C ATOM 1334 C ASP A 87 -7.254 -2.647 7.072 1.00 0.00 C ATOM 1335 O ASP A 87 -7.700 -1.808 7.855 1.00 0.00 O ATOM 1336 CB ASP A 87 -8.656 -4.512 6.165 1.00 0.00 C ATOM 1337 CG ASP A 87 -10.082 -4.451 6.677 1.00 0.00 C ATOM 1338 OD1 ASP A 87 -10.988 -4.143 5.875 1.00 0.00 O ATOM 1339 OD2 ASP A 87 -10.291 -4.712 7.881 1.00 0.00 O ATOM 0 H ASP A 87 -6.602 -3.929 4.629 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.903 -2.427 5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.625 -5.108 5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.030 -5.020 6.899 1.00 0.00 H new ATOM 1344 N GLY A 88 -6.042 -3.177 7.191 1.00 0.00 N ATOM 1345 CA GLY A 88 -5.158 -2.785 8.272 1.00 0.00 C ATOM 1346 C GLY A 88 -4.470 -3.973 8.917 1.00 0.00 C ATOM 1347 O GLY A 88 -4.571 -5.098 8.427 1.00 0.00 O ATOM 0 H GLY A 88 -5.655 -3.874 6.555 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.405 -2.096 7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.729 -2.246 9.027 1.00 0.00 H new ATOM 1351 N LEU A 89 -3.779 -3.725 10.026 1.00 0.00 N ATOM 1352 CA LEU A 89 -3.081 -4.782 10.752 1.00 0.00 C ATOM 1353 C LEU A 89 -2.417 -4.223 12.008 1.00 0.00 C ATOM 1354 O LEU A 89 -1.409 -3.521 11.931 1.00 0.00 O ATOM 1355 CB LEU A 89 -2.039 -5.455 9.854 1.00 0.00 C ATOM 1356 CG LEU A 89 -1.594 -6.847 10.308 1.00 0.00 C ATOM 1357 CD1 LEU A 89 -2.790 -7.781 10.409 1.00 0.00 C ATOM 1358 CD2 LEU A 89 -0.553 -7.410 9.353 1.00 0.00 C ATOM 0 H LEU A 89 -3.687 -2.799 10.443 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.814 -5.531 11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.446 -5.531 8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.162 -4.811 9.796 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.142 -6.761 11.296 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.456 -8.767 10.733 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.502 -7.383 11.132 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.271 -7.863 9.434 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.247 -8.400 9.691 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.979 -7.483 8.352 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.315 -6.751 9.331 1.00 0.00 H new ATOM 1370 N ASP A 90 -2.993 -4.532 13.165 1.00 0.00 N ATOM 1371 CA ASP A 90 -2.459 -4.049 14.436 1.00 0.00 C ATOM 1372 C ASP A 90 -1.530 -5.077 15.077 1.00 0.00 C ATOM 1373 O ASP A 90 -0.669 -4.724 15.885 1.00 0.00 O ATOM 1374 CB ASP A 90 -3.604 -3.709 15.393 1.00 0.00 C ATOM 1375 CG ASP A 90 -3.846 -2.216 15.495 1.00 0.00 C ATOM 1376 OD1 ASP A 90 -3.530 -1.496 14.525 1.00 0.00 O ATOM 1377 OD2 ASP A 90 -4.352 -1.767 16.545 1.00 0.00 O ATOM 0 H ASP A 90 -3.827 -5.113 13.250 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.878 -3.149 14.235 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.516 -4.200 15.053 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.377 -4.106 16.382 1.00 0.00 H new ATOM 1382 N ARG A 91 -1.708 -6.345 14.722 1.00 0.00 N ATOM 1383 CA ARG A 91 -0.881 -7.412 15.276 1.00 0.00 C ATOM 1384 C ARG A 91 -0.047 -8.082 14.190 1.00 0.00 C ATOM 1385 O ARG A 91 -0.391 -8.037 13.009 1.00 0.00 O ATOM 1386 CB ARG A 91 -1.756 -8.453 15.975 1.00 0.00 C ATOM 1387 CG ARG A 91 -2.712 -9.172 15.036 1.00 0.00 C ATOM 1388 CD ARG A 91 -2.432 -10.667 14.984 1.00 0.00 C ATOM 1389 NE ARG A 91 -3.658 -11.455 15.071 1.00 0.00 N ATOM 1390 CZ ARG A 91 -3.687 -12.750 15.380 1.00 0.00 C ATOM 1391 NH1 ARG A 91 -2.560 -13.405 15.632 1.00 0.00 N ATOM 1392 NH2 ARG A 91 -4.847 -13.392 15.438 1.00 0.00 N ATOM 0 H ARG A 91 -2.414 -6.659 14.056 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.203 -6.966 16.004 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.114 -9.188 16.460 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.331 -7.964 16.761 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.738 -9.005 15.364 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.625 -8.750 14.035 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.912 -10.907 14.057 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.766 -10.940 15.803 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.544 -10.986 14.884 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.666 -12.916 15.589 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.588 -14.397 15.868 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.716 -12.894 15.246 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.870 -14.384 15.675 1.00 0.00 H new ATOM 1406 N MET A 92 1.052 -8.706 14.602 1.00 0.00 N ATOM 1407 CA MET A 92 1.940 -9.393 13.670 1.00 0.00 C ATOM 1408 C MET A 92 1.242 -10.600 13.054 1.00 0.00 C ATOM 1409 O MET A 92 0.469 -11.289 13.722 1.00 0.00 O ATOM 1410 CB MET A 92 3.217 -9.837 14.390 1.00 0.00 C ATOM 1411 CG MET A 92 4.194 -10.582 13.496 1.00 0.00 C ATOM 1412 SD MET A 92 4.812 -12.099 14.253 1.00 0.00 S ATOM 1413 CE MET A 92 6.313 -11.502 15.027 1.00 0.00 C ATOM 0 H MET A 92 1.349 -8.750 15.577 1.00 0.00 H new ATOM 0 HA MET A 92 2.204 -8.700 12.871 1.00 0.00 H new ATOM 0 HB2 MET A 92 3.714 -8.960 14.804 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.946 -10.477 15.230 1.00 0.00 H new ATOM 0 HG2 MET A 92 3.705 -10.825 12.553 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.035 -9.930 13.260 1.00 0.00 H new ATOM 0 HE1 MET A 92 7.067 -12.289 15.014 1.00 0.00 H new ATOM 0 HE2 MET A 92 6.684 -10.635 14.480 1.00 0.00 H new ATOM 0 HE3 MET A 92 6.102 -11.218 16.058 1.00 0.00 H new ATOM 1423 N ALA A 93 1.511 -10.852 11.776 1.00 0.00 N ATOM 1424 CA ALA A 93 0.897 -11.979 11.083 1.00 0.00 C ATOM 1425 C ALA A 93 1.817 -12.544 10.005 1.00 0.00 C ATOM 1426 O ALA A 93 2.511 -11.802 9.313 1.00 0.00 O ATOM 1427 CB ALA A 93 -0.432 -11.560 10.473 1.00 0.00 C ATOM 0 H ALA A 93 2.145 -10.295 11.203 1.00 0.00 H new ATOM 0 HA ALA A 93 0.723 -12.766 11.817 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.880 -12.410 9.959 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.103 -11.218 11.261 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.267 -10.751 9.761 1.00 0.00 H new ATOM 1433 N HIS A 94 1.808 -13.867 9.869 1.00 0.00 N ATOM 1434 CA HIS A 94 2.636 -14.543 8.875 1.00 0.00 C ATOM 1435 C HIS A 94 2.144 -14.249 7.465 1.00 0.00 C ATOM 1436 O HIS A 94 0.963 -13.972 7.252 1.00 0.00 O ATOM 1437 CB HIS A 94 2.641 -16.050 9.126 1.00 0.00 C ATOM 1438 CG HIS A 94 3.419 -16.829 8.118 1.00 0.00 C ATOM 1439 ND1 HIS A 94 2.830 -17.613 7.150 1.00 0.00 N ATOM 1440 CD2 HIS A 94 4.753 -16.950 7.938 1.00 0.00 C ATOM 1441 CE1 HIS A 94 3.769 -18.184 6.420 1.00 0.00 C ATOM 1442 NE2 HIS A 94 4.946 -17.796 6.879 1.00 0.00 N ATOM 0 H HIS A 94 1.236 -14.493 10.435 1.00 0.00 H new ATOM 0 HA HIS A 94 3.654 -14.164 8.968 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.054 -16.242 10.116 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.612 -16.410 9.134 1.00 0.00 H new ATOM 0 HD1 HIS A 94 1.826 -17.733 7.018 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.524 -16.469 8.521 1.00 0.00 H new ATOM 0 HE1 HIS A 94 3.604 -18.854 5.589 1.00 0.00 H new ATOM 1451 N PHE A 95 3.059 -14.304 6.503 1.00 0.00 N ATOM 1452 CA PHE A 95 2.717 -14.034 5.114 1.00 0.00 C ATOM 1453 C PHE A 95 3.009 -15.235 4.216 1.00 0.00 C ATOM 1454 O PHE A 95 2.266 -15.501 3.273 1.00 0.00 O ATOM 1455 CB PHE A 95 3.487 -12.812 4.611 1.00 0.00 C ATOM 1456 CG PHE A 95 3.081 -12.373 3.233 1.00 0.00 C ATOM 1457 CD1 PHE A 95 1.836 -11.809 3.010 1.00 0.00 C ATOM 1458 CD2 PHE A 95 3.945 -12.528 2.160 1.00 0.00 C ATOM 1459 CE1 PHE A 95 1.460 -11.404 1.743 1.00 0.00 C ATOM 1460 CE2 PHE A 95 3.575 -12.126 0.891 1.00 0.00 C ATOM 1461 CZ PHE A 95 2.330 -11.563 0.682 1.00 0.00 C ATOM 0 H PHE A 95 4.040 -14.533 6.660 1.00 0.00 H new ATOM 0 HA PHE A 95 1.646 -13.835 5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.336 -11.986 5.306 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.553 -13.039 4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.151 -11.684 3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.919 -12.968 2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.487 -10.964 1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 95 4.258 -12.251 0.063 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.038 -11.248 -0.309 1.00 0.00 H new ATOM 1471 N LYS A 96 4.094 -15.955 4.503 1.00 0.00 N ATOM 1472 CA LYS A 96 4.461 -17.119 3.694 1.00 0.00 C ATOM 1473 C LYS A 96 5.749 -17.763 4.196 1.00 0.00 C ATOM 1474 O LYS A 96 6.529 -17.130 4.905 1.00 0.00 O ATOM 1475 CB LYS A 96 4.627 -16.718 2.226 1.00 0.00 C ATOM 1476 CG LYS A 96 5.601 -15.569 2.016 1.00 0.00 C ATOM 1477 CD LYS A 96 7.026 -16.070 1.833 1.00 0.00 C ATOM 1478 CE LYS A 96 7.651 -15.524 0.559 1.00 0.00 C ATOM 1479 NZ LYS A 96 9.029 -16.045 0.351 1.00 0.00 N ATOM 0 H LYS A 96 4.727 -15.757 5.278 1.00 0.00 H new ATOM 0 HA LYS A 96 3.655 -17.847 3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.970 -17.583 1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.654 -16.437 1.822 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.302 -14.993 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.559 -14.894 2.871 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.630 -15.774 2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.028 -17.160 1.802 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.029 -15.792 -0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.677 -14.435 0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.421 -15.650 -0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.630 -15.768 1.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.001 -17.082 0.282 1.00 0.00 H new ATOM 1493 N ASP A 97 5.964 -19.024 3.814 1.00 0.00 N ATOM 1494 CA ASP A 97 7.161 -19.771 4.213 1.00 0.00 C ATOM 1495 C ASP A 97 7.469 -19.570 5.698 1.00 0.00 C ATOM 1496 O ASP A 97 7.035 -20.357 6.540 1.00 0.00 O ATOM 1497 CB ASP A 97 8.359 -19.354 3.351 1.00 0.00 C ATOM 1498 CG ASP A 97 9.635 -20.074 3.743 1.00 0.00 C ATOM 1499 OD1 ASP A 97 10.115 -19.857 4.875 1.00 0.00 O ATOM 1500 OD2 ASP A 97 10.152 -20.856 2.917 1.00 0.00 O ATOM 0 H ASP A 97 5.321 -19.553 3.225 1.00 0.00 H new ATOM 0 HA ASP A 97 6.968 -20.832 4.054 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.137 -19.558 2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 97 8.510 -18.278 3.441 1.00 0.00 H new ATOM 1505 N ASP A 98 8.204 -18.508 6.018 1.00 0.00 N ATOM 1506 CA ASP A 98 8.547 -18.204 7.401 1.00 0.00 C ATOM 1507 C ASP A 98 8.684 -16.698 7.615 1.00 0.00 C ATOM 1508 O ASP A 98 9.274 -16.256 8.601 1.00 0.00 O ATOM 1509 CB ASP A 98 9.844 -18.909 7.799 1.00 0.00 C ATOM 1510 CG ASP A 98 9.734 -20.418 7.710 1.00 0.00 C ATOM 1511 OD1 ASP A 98 8.756 -20.975 8.252 1.00 0.00 O ATOM 1512 OD2 ASP A 98 10.626 -21.044 7.101 1.00 0.00 O ATOM 0 H ASP A 98 8.573 -17.844 5.337 1.00 0.00 H new ATOM 0 HA ASP A 98 7.737 -18.568 8.033 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.653 -18.568 7.152 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.110 -18.627 8.818 1.00 0.00 H new ATOM 1517 N LEU A 99 8.129 -15.912 6.694 1.00 0.00 N ATOM 1518 CA LEU A 99 8.188 -14.461 6.795 1.00 0.00 C ATOM 1519 C LEU A 99 6.962 -13.928 7.522 1.00 0.00 C ATOM 1520 O LEU A 99 5.827 -14.241 7.160 1.00 0.00 O ATOM 1521 CB LEU A 99 8.289 -13.833 5.404 1.00 0.00 C ATOM 1522 CG LEU A 99 9.702 -13.776 4.822 1.00 0.00 C ATOM 1523 CD1 LEU A 99 9.661 -13.358 3.361 1.00 0.00 C ATOM 1524 CD2 LEU A 99 10.570 -12.820 5.629 1.00 0.00 C ATOM 0 H LEU A 99 7.635 -16.258 5.872 1.00 0.00 H new ATOM 0 HA LEU A 99 9.077 -14.192 7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.653 -14.396 4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.890 -12.820 5.449 1.00 0.00 H new ATOM 0 HG LEU A 99 10.140 -14.772 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.676 -13.323 2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.074 -14.079 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.204 -12.372 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.573 -12.791 5.202 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.134 -11.821 5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.625 -13.163 6.662 1.00 0.00 H new ATOM 1536 N VAL A 100 7.195 -13.130 8.555 1.00 0.00 N ATOM 1537 CA VAL A 100 6.109 -12.562 9.340 1.00 0.00 C ATOM 1538 C VAL A 100 5.990 -11.056 9.115 1.00 0.00 C ATOM 1539 O VAL A 100 6.992 -10.354 8.973 1.00 0.00 O ATOM 1540 CB VAL A 100 6.299 -12.868 10.846 1.00 0.00 C ATOM 1541 CG1 VAL A 100 6.680 -11.621 11.634 1.00 0.00 C ATOM 1542 CG2 VAL A 100 5.043 -13.504 11.421 1.00 0.00 C ATOM 0 H VAL A 100 8.128 -12.861 8.869 1.00 0.00 H new ATOM 0 HA VAL A 100 5.182 -13.028 9.005 1.00 0.00 H new ATOM 0 HB VAL A 100 7.124 -13.574 10.937 1.00 0.00 H new ATOM 0 HG11 VAL A 100 6.804 -11.879 12.686 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.616 -11.218 11.247 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.893 -10.873 11.534 1.00 0.00 H new ATOM 0 HG21 VAL A 100 5.193 -13.713 12.480 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.202 -12.821 11.301 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.832 -14.435 10.894 1.00 0.00 H new ATOM 1552 N LEU A 101 4.754 -10.570 9.089 1.00 0.00 N ATOM 1553 CA LEU A 101 4.490 -9.152 8.886 1.00 0.00 C ATOM 1554 C LEU A 101 4.187 -8.465 10.214 1.00 0.00 C ATOM 1555 O LEU A 101 3.281 -8.872 10.940 1.00 0.00 O ATOM 1556 CB LEU A 101 3.312 -8.965 7.927 1.00 0.00 C ATOM 1557 CG LEU A 101 3.289 -9.918 6.729 1.00 0.00 C ATOM 1558 CD1 LEU A 101 1.858 -10.302 6.383 1.00 0.00 C ATOM 1559 CD2 LEU A 101 3.977 -9.283 5.531 1.00 0.00 C ATOM 0 H LEU A 101 3.917 -11.140 9.207 1.00 0.00 H new ATOM 0 HA LEU A 101 5.381 -8.698 8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.385 -9.089 8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.326 -7.940 7.556 1.00 0.00 H new ATOM 0 HG LEU A 101 3.833 -10.824 6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.859 -10.980 5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.397 -10.796 7.238 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.291 -9.405 6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.952 -9.974 4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.460 -8.362 5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.013 -9.057 5.784 1.00 0.00 H new ATOM 1571 N VAL A 102 4.948 -7.422 10.526 1.00 0.00 N ATOM 1572 CA VAL A 102 4.756 -6.682 11.768 1.00 0.00 C ATOM 1573 C VAL A 102 4.214 -5.279 11.491 1.00 0.00 C ATOM 1574 O VAL A 102 4.675 -4.598 10.576 1.00 0.00 O ATOM 1575 CB VAL A 102 6.072 -6.566 12.562 1.00 0.00 C ATOM 1576 CG1 VAL A 102 5.826 -5.920 13.917 1.00 0.00 C ATOM 1577 CG2 VAL A 102 6.718 -7.934 12.726 1.00 0.00 C ATOM 0 H VAL A 102 5.703 -7.070 9.937 1.00 0.00 H new ATOM 0 HA VAL A 102 4.032 -7.239 12.362 1.00 0.00 H new ATOM 0 HB VAL A 102 6.757 -5.929 12.002 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.767 -5.847 14.462 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.411 -4.922 13.774 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.123 -6.527 14.487 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.646 -7.833 13.289 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.038 -8.595 13.263 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.933 -8.355 11.744 1.00 0.00 H new ATOM 1587 N PRO A 103 3.229 -4.820 12.287 1.00 0.00 N ATOM 1588 CA PRO A 103 2.631 -3.492 12.124 1.00 0.00 C ATOM 1589 C PRO A 103 3.690 -2.402 11.988 1.00 0.00 C ATOM 1590 O PRO A 103 4.563 -2.264 12.843 1.00 0.00 O ATOM 1591 CB PRO A 103 1.812 -3.292 13.411 1.00 0.00 C ATOM 1592 CG PRO A 103 2.178 -4.432 14.308 1.00 0.00 C ATOM 1593 CD PRO A 103 2.621 -5.546 13.407 1.00 0.00 C ATOM 0 HA PRO A 103 2.029 -3.427 11.217 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.046 -2.336 13.879 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.743 -3.290 13.198 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.975 -4.147 14.995 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.327 -4.738 14.916 1.00 0.00 H new ATOM 0 HD2 PRO A 103 3.335 -6.207 13.899 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.784 -6.165 13.084 1.00 0.00 H new ATOM 1601 N LEU A 104 3.613 -1.639 10.901 1.00 0.00 N ATOM 1602 CA LEU A 104 4.576 -0.574 10.655 1.00 0.00 C ATOM 1603 C LEU A 104 3.900 0.797 10.604 1.00 0.00 C ATOM 1604 O LEU A 104 4.327 1.726 11.289 1.00 0.00 O ATOM 1605 CB LEU A 104 5.329 -0.839 9.350 1.00 0.00 C ATOM 1606 CG LEU A 104 6.592 0.002 9.149 1.00 0.00 C ATOM 1607 CD1 LEU A 104 7.838 -0.858 9.296 1.00 0.00 C ATOM 1608 CD2 LEU A 104 6.570 0.683 7.788 1.00 0.00 C ATOM 0 H LEU A 104 2.897 -1.739 10.181 1.00 0.00 H new ATOM 0 HA LEU A 104 5.283 -0.565 11.485 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.603 -1.893 9.314 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.653 -0.657 8.515 1.00 0.00 H new ATOM 0 HG LEU A 104 6.616 0.773 9.919 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.725 -0.242 9.150 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.862 -1.297 10.294 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.821 -1.653 8.550 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.476 1.276 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 104 6.520 -0.073 7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.698 1.334 7.721 1.00 0.00 H new ATOM 1620 N THR A 105 2.851 0.929 9.792 1.00 0.00 N ATOM 1621 CA THR A 105 2.149 2.206 9.678 1.00 0.00 C ATOM 1622 C THR A 105 0.696 2.026 9.258 1.00 0.00 C ATOM 1623 O THR A 105 0.400 1.362 8.268 1.00 0.00 O ATOM 1624 CB THR A 105 2.872 3.118 8.688 1.00 0.00 C ATOM 1625 OG1 THR A 105 4.275 3.027 8.856 1.00 0.00 O ATOM 1626 CG2 THR A 105 2.487 4.575 8.825 1.00 0.00 C ATOM 0 H THR A 105 2.474 0.180 9.212 1.00 0.00 H new ATOM 0 HA THR A 105 2.150 2.667 10.666 1.00 0.00 H new ATOM 0 HB THR A 105 2.569 2.770 7.700 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.720 3.617 8.212 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.036 5.167 8.093 1.00 0.00 H new ATOM 0 HG22 THR A 105 1.417 4.686 8.652 1.00 0.00 H new ATOM 0 HG23 THR A 105 2.730 4.923 9.829 1.00 0.00 H new ATOM 1634 N THR A 106 -0.205 2.640 10.021 1.00 0.00 N ATOM 1635 CA THR A 106 -1.634 2.569 9.740 1.00 0.00 C ATOM 1636 C THR A 106 -2.196 3.955 9.440 1.00 0.00 C ATOM 1637 O THR A 106 -2.085 4.871 10.257 1.00 0.00 O ATOM 1638 CB THR A 106 -2.379 1.950 10.926 1.00 0.00 C ATOM 1639 OG1 THR A 106 -1.888 0.650 11.202 1.00 0.00 O ATOM 1640 CG2 THR A 106 -3.873 1.840 10.706 1.00 0.00 C ATOM 0 H THR A 106 0.033 3.195 10.843 1.00 0.00 H new ATOM 0 HA THR A 106 -1.777 1.939 8.862 1.00 0.00 H new ATOM 0 HB THR A 106 -2.202 2.626 11.762 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.375 0.271 11.964 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.338 1.393 11.585 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.290 2.833 10.540 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.067 1.214 9.835 1.00 0.00 H new ATOM 1648 N LYS A 107 -2.799 4.103 8.266 1.00 0.00 N ATOM 1649 CA LYS A 107 -3.379 5.379 7.859 1.00 0.00 C ATOM 1650 C LYS A 107 -4.746 5.176 7.212 1.00 0.00 C ATOM 1651 O LYS A 107 -4.940 4.248 6.427 1.00 0.00 O ATOM 1652 CB LYS A 107 -2.446 6.102 6.886 1.00 0.00 C ATOM 1653 CG LYS A 107 -1.365 6.921 7.571 1.00 0.00 C ATOM 1654 CD LYS A 107 -0.935 8.103 6.716 1.00 0.00 C ATOM 1655 CE LYS A 107 0.092 8.964 7.433 1.00 0.00 C ATOM 1656 NZ LYS A 107 1.410 8.280 7.547 1.00 0.00 N ATOM 0 H LYS A 107 -2.899 3.356 7.579 1.00 0.00 H new ATOM 0 HA LYS A 107 -3.506 5.990 8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -1.974 5.366 6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -3.038 6.759 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.733 7.281 8.532 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.503 6.287 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.516 7.741 5.777 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.806 8.708 6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.216 9.904 6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.275 9.213 8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 2.170 8.950 7.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 1.539 7.934 8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 1.443 7.477 6.887 1.00 0.00 H new ATOM 1670 N VAL A 108 -5.688 6.051 7.547 1.00 0.00 N ATOM 1671 CA VAL A 108 -7.035 5.969 6.997 1.00 0.00 C ATOM 1672 C VAL A 108 -7.264 7.050 5.945 1.00 0.00 C ATOM 1673 O VAL A 108 -7.202 8.242 6.242 1.00 0.00 O ATOM 1674 CB VAL A 108 -8.102 6.107 8.099 1.00 0.00 C ATOM 1675 CG1 VAL A 108 -9.489 5.834 7.538 1.00 0.00 C ATOM 1676 CG2 VAL A 108 -7.796 5.172 9.259 1.00 0.00 C ATOM 0 H VAL A 108 -5.543 6.824 8.196 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.129 4.987 6.533 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.081 7.131 8.472 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -10.229 5.936 8.332 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -9.707 6.548 6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.526 4.822 7.136 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.561 5.284 10.028 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.787 4.142 8.903 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.821 5.420 9.678 1.00 0.00 H new ATOM 1686 N VAL A 109 -7.529 6.623 4.715 1.00 0.00 N ATOM 1687 CA VAL A 109 -7.766 7.553 3.619 1.00 0.00 C ATOM 1688 C VAL A 109 -9.143 7.333 3.002 1.00 0.00 C ATOM 1689 O VAL A 109 -9.499 6.212 2.637 1.00 0.00 O ATOM 1690 CB VAL A 109 -6.695 7.411 2.520 1.00 0.00 C ATOM 1691 CG1 VAL A 109 -6.842 8.515 1.484 1.00 0.00 C ATOM 1692 CG2 VAL A 109 -5.302 7.424 3.131 1.00 0.00 C ATOM 0 H VAL A 109 -7.585 5.639 4.453 1.00 0.00 H new ATOM 0 HA VAL A 109 -7.714 8.558 4.039 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.839 6.454 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.077 8.398 0.716 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.829 8.454 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.726 9.485 1.967 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.557 7.323 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.145 8.364 3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.204 6.594 3.831 1.00 0.00 H new ATOM 1702 N GLY A 110 -9.914 8.409 2.890 1.00 0.00 N ATOM 1703 CA GLY A 110 -11.245 8.311 2.319 1.00 0.00 C ATOM 1704 C GLY A 110 -12.136 7.356 3.087 1.00 0.00 C ATOM 1705 O GLY A 110 -13.046 6.752 2.520 1.00 0.00 O ATOM 0 H GLY A 110 -9.642 9.347 3.184 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.704 9.299 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -11.169 7.979 1.283 1.00 0.00 H new ATOM 1709 N GLY A 111 -11.874 7.221 4.383 1.00 0.00 N ATOM 1710 CA GLY A 111 -12.666 6.332 5.211 1.00 0.00 C ATOM 1711 C GLY A 111 -12.280 4.877 5.035 1.00 0.00 C ATOM 1712 O GLY A 111 -13.124 3.987 5.134 1.00 0.00 O ATOM 0 H GLY A 111 -11.127 7.712 4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -12.546 6.612 6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.721 6.457 4.967 1.00 0.00 H new ATOM 1716 N SER A 112 -11.000 4.634 4.771 1.00 0.00 N ATOM 1717 CA SER A 112 -10.504 3.276 4.579 1.00 0.00 C ATOM 1718 C SER A 112 -9.166 3.079 5.284 1.00 0.00 C ATOM 1719 O SER A 112 -8.191 3.772 4.991 1.00 0.00 O ATOM 1720 CB SER A 112 -10.360 2.970 3.087 1.00 0.00 C ATOM 1721 OG SER A 112 -11.540 2.379 2.571 1.00 0.00 O ATOM 0 H SER A 112 -10.288 5.359 4.685 1.00 0.00 H new ATOM 0 HA SER A 112 -11.227 2.587 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.142 3.889 2.543 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.515 2.299 2.930 1.00 0.00 H new ATOM 0 HG SER A 112 -11.423 2.195 1.616 1.00 0.00 H new ATOM 1727 N ARG A 113 -9.128 2.130 6.213 1.00 0.00 N ATOM 1728 CA ARG A 113 -7.911 1.840 6.962 1.00 0.00 C ATOM 1729 C ARG A 113 -6.831 1.274 6.046 1.00 0.00 C ATOM 1730 O ARG A 113 -7.114 0.466 5.162 1.00 0.00 O ATOM 1731 CB ARG A 113 -8.207 0.850 8.089 1.00 0.00 C ATOM 1732 CG ARG A 113 -8.859 1.490 9.306 1.00 0.00 C ATOM 1733 CD ARG A 113 -8.039 1.270 10.570 1.00 0.00 C ATOM 1734 NE ARG A 113 -8.716 0.385 11.515 1.00 0.00 N ATOM 1735 CZ ARG A 113 -8.669 -0.944 11.454 1.00 0.00 C ATOM 1736 NH1 ARG A 113 -7.976 -1.548 10.497 1.00 0.00 N ATOM 1737 NH2 ARG A 113 -9.316 -1.671 12.354 1.00 0.00 N ATOM 0 H ARG A 113 -9.927 1.548 6.465 1.00 0.00 H new ATOM 0 HA ARG A 113 -7.547 2.773 7.391 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.859 0.064 7.709 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -7.277 0.372 8.395 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -8.980 2.559 9.133 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.857 1.075 9.444 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -7.071 0.845 10.305 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -7.845 2.230 11.048 1.00 0.00 H new ATOM 0 HE ARG A 113 -9.257 0.811 12.267 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.475 -0.994 9.803 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -7.944 -2.567 10.456 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.849 -1.212 13.092 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.281 -2.689 12.308 1.00 0.00 H new ATOM 1751 N CYS A 114 -5.593 1.703 6.263 1.00 0.00 N ATOM 1752 CA CYS A 114 -4.471 1.237 5.457 1.00 0.00 C ATOM 1753 C CYS A 114 -3.234 1.014 6.320 1.00 0.00 C ATOM 1754 O CYS A 114 -2.511 1.958 6.638 1.00 0.00 O ATOM 1755 CB CYS A 114 -4.160 2.246 4.350 1.00 0.00 C ATOM 1756 SG CYS A 114 -2.963 1.657 3.130 1.00 0.00 S ATOM 0 H CYS A 114 -5.341 2.373 6.990 1.00 0.00 H new ATOM 0 HA CYS A 114 -4.751 0.285 5.005 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -5.087 2.505 3.838 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -3.780 3.161 4.804 1.00 0.00 H new ATOM 0 HG CYS A 114 -3.553 1.503 1.982 1.00 0.00 H new ATOM 1762 N THR A 115 -2.992 -0.239 6.693 1.00 0.00 N ATOM 1763 CA THR A 115 -1.838 -0.575 7.517 1.00 0.00 C ATOM 1764 C THR A 115 -0.719 -1.181 6.680 1.00 0.00 C ATOM 1765 O THR A 115 -0.964 -1.949 5.749 1.00 0.00 O ATOM 1766 CB THR A 115 -2.225 -1.556 8.623 1.00 0.00 C ATOM 1767 OG1 THR A 115 -3.256 -1.021 9.433 1.00 0.00 O ATOM 1768 CG2 THR A 115 -1.066 -1.916 9.528 1.00 0.00 C ATOM 0 H THR A 115 -3.577 -1.035 6.439 1.00 0.00 H new ATOM 0 HA THR A 115 -1.482 0.353 7.965 1.00 0.00 H new ATOM 0 HB THR A 115 -2.560 -2.457 8.109 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.861 -0.516 10.174 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.405 -2.615 10.292 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.274 -2.378 8.939 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.683 -1.014 10.006 1.00 0.00 H new ATOM 1776 N ILE A 116 0.513 -0.846 7.041 1.00 0.00 N ATOM 1777 CA ILE A 116 1.686 -1.364 6.357 1.00 0.00 C ATOM 1778 C ILE A 116 2.562 -2.107 7.361 1.00 0.00 C ATOM 1779 O ILE A 116 2.708 -1.669 8.502 1.00 0.00 O ATOM 1780 CB ILE A 116 2.470 -0.226 5.651 1.00 0.00 C ATOM 1781 CG1 ILE A 116 2.545 -0.487 4.149 1.00 0.00 C ATOM 1782 CG2 ILE A 116 3.871 -0.044 6.220 1.00 0.00 C ATOM 1783 CD1 ILE A 116 2.778 0.769 3.339 1.00 0.00 C ATOM 0 H ILE A 116 0.724 -0.212 7.811 1.00 0.00 H new ATOM 0 HA ILE A 116 1.372 -2.060 5.579 1.00 0.00 H new ATOM 0 HB ILE A 116 1.923 0.699 5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 116 3.349 -1.195 3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.618 -0.957 3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 116 4.376 0.764 5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 116 3.804 0.202 7.280 1.00 0.00 H new ATOM 0 HG23 ILE A 116 4.437 -0.968 6.097 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.821 0.516 2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.961 1.470 3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 116 3.720 1.228 3.641 1.00 0.00 H new ATOM 1795 N CYS A 117 3.118 -3.243 6.955 1.00 0.00 N ATOM 1796 CA CYS A 117 3.941 -4.035 7.862 1.00 0.00 C ATOM 1797 C CYS A 117 5.260 -4.455 7.227 1.00 0.00 C ATOM 1798 O CYS A 117 5.313 -4.819 6.052 1.00 0.00 O ATOM 1799 CB CYS A 117 3.170 -5.278 8.310 1.00 0.00 C ATOM 1800 SG CYS A 117 1.574 -4.919 9.080 1.00 0.00 S ATOM 0 H CYS A 117 3.016 -3.632 6.018 1.00 0.00 H new ATOM 0 HA CYS A 117 4.174 -3.407 8.722 1.00 0.00 H new ATOM 0 HB2 CYS A 117 3.008 -5.923 7.446 1.00 0.00 H new ATOM 0 HB3 CYS A 117 3.784 -5.838 9.015 1.00 0.00 H new ATOM 0 HG CYS A 117 1.491 -5.543 10.217 1.00 0.00 H new ATOM 1806 N ASP A 118 6.320 -4.422 8.028 1.00 0.00 N ATOM 1807 CA ASP A 118 7.642 -4.822 7.567 1.00 0.00 C ATOM 1808 C ASP A 118 7.719 -6.339 7.468 1.00 0.00 C ATOM 1809 O ASP A 118 7.219 -7.050 8.340 1.00 0.00 O ATOM 1810 CB ASP A 118 8.720 -4.302 8.520 1.00 0.00 C ATOM 1811 CG ASP A 118 10.119 -4.484 7.965 1.00 0.00 C ATOM 1812 OD1 ASP A 118 10.490 -5.635 7.655 1.00 0.00 O ATOM 1813 OD2 ASP A 118 10.844 -3.474 7.839 1.00 0.00 O ATOM 0 H ASP A 118 6.287 -4.121 9.002 1.00 0.00 H new ATOM 0 HA ASP A 118 7.814 -4.391 6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.546 -3.245 8.719 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.640 -4.823 9.474 1.00 0.00 H new ATOM 1818 N VAL A 119 8.338 -6.833 6.405 1.00 0.00 N ATOM 1819 CA VAL A 119 8.462 -8.267 6.208 1.00 0.00 C ATOM 1820 C VAL A 119 9.712 -8.795 6.897 1.00 0.00 C ATOM 1821 O VAL A 119 10.828 -8.619 6.408 1.00 0.00 O ATOM 1822 CB VAL A 119 8.503 -8.631 4.710 1.00 0.00 C ATOM 1823 CG1 VAL A 119 8.068 -10.073 4.501 1.00 0.00 C ATOM 1824 CG2 VAL A 119 7.624 -7.682 3.902 1.00 0.00 C ATOM 0 H VAL A 119 8.759 -6.264 5.671 1.00 0.00 H new ATOM 0 HA VAL A 119 7.582 -8.733 6.650 1.00 0.00 H new ATOM 0 HB VAL A 119 9.530 -8.527 4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 119 8.103 -10.313 3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 119 8.739 -10.738 5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 119 7.050 -10.203 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 119 7.667 -7.956 2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 119 6.595 -7.751 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 119 7.982 -6.660 4.026 1.00 0.00 H new ATOM 1834 N VAL A 120 9.516 -9.430 8.048 1.00 0.00 N ATOM 1835 CA VAL A 120 10.625 -9.973 8.821 1.00 0.00 C ATOM 1836 C VAL A 120 10.486 -11.480 8.998 1.00 0.00 C ATOM 1837 O VAL A 120 9.387 -11.994 9.197 1.00 0.00 O ATOM 1838 CB VAL A 120 10.721 -9.306 10.209 1.00 0.00 C ATOM 1839 CG1 VAL A 120 11.599 -8.066 10.143 1.00 0.00 C ATOM 1840 CG2 VAL A 120 9.336 -8.956 10.738 1.00 0.00 C ATOM 0 H VAL A 120 8.598 -9.581 8.466 1.00 0.00 H new ATOM 0 HA VAL A 120 11.536 -9.761 8.262 1.00 0.00 H new ATOM 0 HB VAL A 120 11.177 -10.016 10.899 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.656 -7.608 11.130 1.00 0.00 H new ATOM 0 HG12 VAL A 120 12.600 -8.346 9.814 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.171 -7.354 9.437 1.00 0.00 H new ATOM 0 HG21 VAL A 120 9.428 -8.487 11.718 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.847 -8.266 10.050 1.00 0.00 H new ATOM 0 HG23 VAL A 120 8.740 -9.864 10.825 1.00 0.00 H new ATOM 1850 N LYS A 121 11.610 -12.181 8.921 1.00 0.00 N ATOM 1851 CA LYS A 121 11.622 -13.632 9.066 1.00 0.00 C ATOM 1852 C LYS A 121 11.430 -14.039 10.523 1.00 0.00 C ATOM 1853 O LYS A 121 12.155 -13.584 11.408 1.00 0.00 O ATOM 1854 CB LYS A 121 12.938 -14.204 8.533 1.00 0.00 C ATOM 1855 CG LYS A 121 13.048 -15.714 8.669 1.00 0.00 C ATOM 1856 CD LYS A 121 12.196 -16.430 7.635 1.00 0.00 C ATOM 1857 CE LYS A 121 12.839 -16.390 6.258 1.00 0.00 C ATOM 1858 NZ LYS A 121 11.926 -16.915 5.206 1.00 0.00 N ATOM 0 H LYS A 121 12.528 -11.767 8.758 1.00 0.00 H new ATOM 0 HA LYS A 121 10.793 -14.037 8.486 1.00 0.00 H new ATOM 0 HB2 LYS A 121 13.042 -13.934 7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 121 13.768 -13.739 9.065 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.089 -16.016 8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 121 12.736 -16.014 9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 121 12.048 -17.466 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 121 11.210 -15.967 7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 121 13.119 -15.364 6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 121 13.757 -16.977 6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.152 -16.467 4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.046 -17.945 5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.941 -16.700 5.462 1.00 0.00 H new ATOM 1872 N GLU A 122 10.447 -14.901 10.764 1.00 0.00 N ATOM 1873 CA GLU A 122 10.157 -15.375 12.111 1.00 0.00 C ATOM 1874 C GLU A 122 11.295 -16.245 12.634 1.00 0.00 C ATOM 1875 O GLU A 122 11.468 -17.385 12.201 1.00 0.00 O ATOM 1876 CB GLU A 122 8.846 -16.165 12.124 1.00 0.00 C ATOM 1877 CG GLU A 122 8.486 -16.729 13.490 1.00 0.00 C ATOM 1878 CD GLU A 122 8.036 -15.657 14.464 1.00 0.00 C ATOM 1879 OE1 GLU A 122 8.715 -14.612 14.550 1.00 0.00 O ATOM 1880 OE2 GLU A 122 7.007 -15.863 15.140 1.00 0.00 O ATOM 0 H GLU A 122 9.838 -15.285 10.042 1.00 0.00 H new ATOM 0 HA GLU A 122 10.056 -14.508 12.764 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.038 -15.517 11.784 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.919 -16.985 11.410 1.00 0.00 H new ATOM 0 HG2 GLU A 122 7.692 -17.468 13.376 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.350 -17.250 13.903 1.00 0.00 H new