USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 812 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 94 HIS : no HE2:sc= 0.00835 X(o=-0.37,f=-0.13) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 151:sc= -0.376 (180deg=-0.317) USER MOD Set 2.1: A 67 TYR OH : rot -164:sc= 1.04 USER MOD Set 2.2: A 103 CYS SG : rot -118:sc= 0.742 USER MOD Set 3.1: A 43 SER OG : rot 160:sc= 0.596 USER MOD Set 3.2: A 45 SER OG : rot 37:sc= 0.529 USER MOD Set 3.3: A 46 ASN : amide:sc= -10.7! C(o=-9.5!,f=-17!) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= -0.0104 (180deg=-0.229) USER MOD Single : A 18 THR OG1 : rot -52:sc= 0.358 USER MOD Single : A 20 SER OG : rot 180:sc= 0.183 USER MOD Single : A 22 LYS NZ :NH3+ -116:sc= -0.193 (180deg=-1.2) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 32 MET CE :methyl 177:sc= -0.322 (180deg=-0.353) USER MOD Single : A 33 ASN : amide:sc= -0.94 K(o=-0.94,f=-4.6!) USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= -0.291 (180deg=-0.302) USER MOD Single : A 37 SER OG : rot -89:sc= 0.634 USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0869) USER MOD Single : A 51 SER OG : rot -110:sc= 0.0531 USER MOD Single : A 53 SER OG : rot -94:sc= 0.205 USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= 1.14 (180deg=0.366) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 59 THR OG1 : rot -33:sc= 0.853 USER MOD Single : A 60 GLN : amide:sc= 0.234 X(o=0.23,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= 0.414 (180deg=0.333) USER MOD Single : A 66 HIS : no HE2:sc= -0.134 K(o=-0.13,f=-1.8) USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0121) USER MOD Single : A 71 SER OG : rot 140:sc= -0.663 USER MOD Single : A 74 ASN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.367 F(o=-1.1,f=-0.37) USER MOD Single : A 93 GLN : amide:sc= -0.579 K(o=-0.58,f=-1.1) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 31:sc= 1.22 USER MOD Single : A 97 LYS NZ :NH3+ 142:sc= 0.867 (180deg=0.18) USER MOD Single : A 104 GLN : amide:sc= -0.0878 K(o=-0.088,f=-0.81) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot -123:sc= -0.115 USER MOD Single : A 110 CYS SG : rot 45:sc= -7.81! USER MOD ----------------------------------------------------------------- ATOM 171 N LYS A 13 -9.104 -0.989 -8.776 1.00 0.00 N ATOM 172 CA LYS A 13 -8.060 -1.838 -8.246 1.00 0.00 C ATOM 173 C LYS A 13 -6.675 -1.196 -8.236 1.00 0.00 C ATOM 174 O LYS A 13 -5.876 -1.609 -7.408 1.00 0.00 O ATOM 175 CB LYS A 13 -8.064 -3.215 -8.891 1.00 0.00 C ATOM 176 CG LYS A 13 -9.432 -3.890 -8.813 1.00 0.00 C ATOM 177 CD LYS A 13 -9.892 -4.198 -7.386 1.00 0.00 C ATOM 178 CE LYS A 13 -11.241 -4.905 -7.370 1.00 0.00 C ATOM 179 NZ LYS A 13 -12.291 -4.120 -8.014 1.00 0.00 N ATOM 0 HA LYS A 13 -8.305 -1.975 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.765 -3.125 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.322 -3.845 -8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.171 -3.247 -9.292 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.401 -4.819 -9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.148 -4.822 -6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.960 -3.271 -6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.150 -5.867 -7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.527 -5.112 -6.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.217 -4.550 -7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.275 -3.148 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.130 -4.102 -9.041 1.00 0.00 H new ATOM 193 N TRP A 14 -6.381 -0.208 -9.129 1.00 0.00 N ATOM 194 CA TRP A 14 -5.033 0.371 -9.060 1.00 0.00 C ATOM 195 C TRP A 14 -4.840 1.138 -7.743 1.00 0.00 C ATOM 196 O TRP A 14 -3.764 1.129 -7.169 1.00 0.00 O ATOM 197 CB TRP A 14 -4.507 1.012 -10.362 1.00 0.00 C ATOM 198 CG TRP A 14 -4.762 2.485 -10.652 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.447 2.946 -11.782 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.210 3.664 -10.009 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.323 4.296 -11.867 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.571 4.784 -10.804 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.457 3.863 -8.880 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.163 6.048 -10.439 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.063 5.145 -8.509 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.417 6.235 -9.288 1.00 0.00 C ATOM 0 H TRP A 14 -7.006 0.170 -9.842 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.320 -0.451 -9.008 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.428 0.862 -10.382 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -4.924 0.443 -11.193 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -5.990 2.325 -12.479 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.725 4.871 -12.607 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -3.167 3.017 -8.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.426 6.896 -11.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.480 5.291 -7.612 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.111 7.229 -8.997 1.00 0.00 H new ATOM 217 N PHE A 15 -5.939 1.772 -7.288 1.00 0.00 N ATOM 218 CA PHE A 15 -5.939 2.489 -6.013 1.00 0.00 C ATOM 219 C PHE A 15 -6.696 1.587 -5.023 1.00 0.00 C ATOM 220 O PHE A 15 -7.849 1.256 -5.277 1.00 0.00 O ATOM 221 CB PHE A 15 -6.621 3.848 -6.227 1.00 0.00 C ATOM 222 CG PHE A 15 -6.112 4.912 -5.291 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.781 5.312 -5.351 1.00 0.00 C ATOM 224 CD2 PHE A 15 -6.961 5.525 -4.374 1.00 0.00 C ATOM 225 CE1 PHE A 15 -4.304 6.321 -4.525 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.487 6.533 -3.542 1.00 0.00 C ATOM 227 CZ PHE A 15 -5.160 6.935 -3.623 1.00 0.00 C ATOM 0 H PHE A 15 -6.829 1.798 -7.786 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.942 2.693 -5.622 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.463 4.170 -7.256 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.696 3.735 -6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.111 4.832 -6.048 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.994 5.216 -4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.270 6.627 -4.585 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.151 7.004 -2.832 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.795 7.725 -2.984 1.00 0.00 H new ATOM 237 N PHE A 16 -6.027 1.201 -3.900 1.00 0.00 N ATOM 238 CA PHE A 16 -6.712 0.273 -2.988 1.00 0.00 C ATOM 239 C PHE A 16 -6.451 0.532 -1.486 1.00 0.00 C ATOM 240 O PHE A 16 -6.840 -0.292 -0.666 1.00 0.00 O ATOM 241 CB PHE A 16 -6.306 -1.169 -3.401 1.00 0.00 C ATOM 242 CG PHE A 16 -7.463 -2.132 -3.413 1.00 0.00 C ATOM 243 CD1 PHE A 16 -8.612 -1.873 -4.158 1.00 0.00 C ATOM 244 CD2 PHE A 16 -7.396 -3.309 -2.680 1.00 0.00 C ATOM 245 CE1 PHE A 16 -9.678 -2.763 -4.158 1.00 0.00 C ATOM 246 CE2 PHE A 16 -8.462 -4.200 -2.678 1.00 0.00 C ATOM 247 CZ PHE A 16 -9.603 -3.930 -3.417 1.00 0.00 C ATOM 0 H PHE A 16 -5.089 1.495 -3.628 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.786 0.428 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.854 -1.142 -4.393 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.544 -1.536 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.674 -0.968 -4.743 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.509 -3.534 -2.107 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.564 -2.545 -4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -8.401 -5.108 -2.097 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.429 -4.626 -3.415 1.00 0.00 H new ATOM 257 N ARG A 17 -5.804 1.675 -1.150 1.00 0.00 N ATOM 258 CA ARG A 17 -5.531 2.000 0.262 1.00 0.00 C ATOM 259 C ARG A 17 -4.620 0.956 0.939 1.00 0.00 C ATOM 260 O ARG A 17 -4.238 -0.052 0.365 1.00 0.00 O ATOM 261 CB ARG A 17 -6.827 2.200 1.084 1.00 0.00 C ATOM 262 CG ARG A 17 -7.515 3.531 0.781 1.00 0.00 C ATOM 263 CD ARG A 17 -8.742 3.788 1.670 1.00 0.00 C ATOM 264 NE ARG A 17 -9.680 2.668 1.678 1.00 0.00 N ATOM 265 CZ ARG A 17 -10.509 2.362 0.658 1.00 0.00 C ATOM 266 NH1 ARG A 17 -10.516 3.067 -0.467 1.00 0.00 N ATOM 267 NH2 ARG A 17 -11.338 1.334 0.784 1.00 0.00 N ATOM 0 H ARG A 17 -5.471 2.367 -1.821 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.997 2.950 0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.516 1.382 0.873 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.590 2.151 2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.800 4.342 0.915 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.821 3.546 -0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.411 3.986 2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.256 4.684 1.322 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.710 2.078 2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.885 3.861 -0.575 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.153 2.815 -1.223 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.344 0.786 1.644 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.970 1.092 0.021 1.00 0.00 H new ATOM 281 N THR A 18 -4.309 1.309 2.203 1.00 0.00 N ATOM 282 CA THR A 18 -3.470 0.583 3.144 1.00 0.00 C ATOM 283 C THR A 18 -4.079 -0.743 3.604 1.00 0.00 C ATOM 284 O THR A 18 -4.429 -0.941 4.761 1.00 0.00 O ATOM 285 CB THR A 18 -3.095 1.404 4.417 1.00 0.00 C ATOM 286 OG1 THR A 18 -2.352 0.684 5.453 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.285 2.262 4.942 1.00 0.00 C ATOM 0 H THR A 18 -4.669 2.172 2.610 1.00 0.00 H new ATOM 0 HA THR A 18 -2.566 0.388 2.566 1.00 0.00 H new ATOM 0 HB THR A 18 -2.342 2.112 4.070 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.820 -0.148 5.673 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.972 2.814 5.828 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.596 2.964 4.169 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.120 1.609 5.197 1.00 0.00 H new ATOM 295 N ILE A 19 -4.151 -1.642 2.614 1.00 0.00 N ATOM 296 CA ILE A 19 -4.598 -3.010 2.829 1.00 0.00 C ATOM 297 C ILE A 19 -3.344 -3.696 3.375 1.00 0.00 C ATOM 298 O ILE A 19 -2.252 -3.156 3.228 1.00 0.00 O ATOM 299 CB ILE A 19 -5.018 -3.620 1.479 1.00 0.00 C ATOM 300 CG1 ILE A 19 -5.996 -4.790 1.613 1.00 0.00 C ATOM 301 CG2 ILE A 19 -3.843 -3.974 0.566 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.318 -5.445 0.254 1.00 0.00 C ATOM 0 H ILE A 19 -3.900 -1.435 1.647 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.453 -3.106 3.498 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.559 -2.813 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.573 -5.539 2.283 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.920 -4.437 2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.220 -4.398 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.268 -3.074 0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.202 -4.702 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.016 -6.269 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.767 -4.705 -0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.399 -5.824 -0.194 1.00 0.00 H new ATOM 314 N SER A 20 -3.497 -4.873 3.997 1.00 0.00 N ATOM 315 CA SER A 20 -2.254 -5.474 4.490 1.00 0.00 C ATOM 316 C SER A 20 -1.354 -5.837 3.296 1.00 0.00 C ATOM 317 O SER A 20 -1.802 -6.067 2.182 1.00 0.00 O ATOM 318 CB SER A 20 -2.478 -6.777 5.310 1.00 0.00 C ATOM 319 OG SER A 20 -1.325 -7.663 5.634 1.00 0.00 O ATOM 0 H SER A 20 -4.366 -5.381 4.159 1.00 0.00 H new ATOM 0 HA SER A 20 -1.799 -4.731 5.145 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.941 -6.490 6.254 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.207 -7.379 4.768 1.00 0.00 H new ATOM 0 HG SER A 20 -1.639 -8.433 6.153 1.00 0.00 H new ATOM 325 N ARG A 21 -0.054 -5.875 3.624 1.00 0.00 N ATOM 326 CA ARG A 21 0.971 -6.224 2.648 1.00 0.00 C ATOM 327 C ARG A 21 0.711 -7.635 2.083 1.00 0.00 C ATOM 328 O ARG A 21 1.091 -7.953 0.973 1.00 0.00 O ATOM 329 CB ARG A 21 2.359 -6.127 3.300 1.00 0.00 C ATOM 330 CG ARG A 21 3.489 -5.873 2.291 1.00 0.00 C ATOM 331 CD ARG A 21 3.365 -4.512 1.592 1.00 0.00 C ATOM 332 NE ARG A 21 4.692 -4.038 1.203 1.00 0.00 N ATOM 333 CZ ARG A 21 4.952 -2.740 0.951 1.00 0.00 C ATOM 334 NH1 ARG A 21 3.977 -1.844 0.931 1.00 0.00 N ATOM 335 NH2 ARG A 21 6.197 -2.352 0.716 1.00 0.00 N ATOM 0 H ARG A 21 0.305 -5.668 4.556 1.00 0.00 H new ATOM 0 HA ARG A 21 0.935 -5.522 1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.351 -5.323 4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.564 -7.051 3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.448 -5.926 2.805 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.485 -6.664 1.541 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.727 -4.600 0.713 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.891 -3.791 2.259 1.00 0.00 H new ATOM 0 HE ARG A 21 5.450 -4.715 1.119 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.015 -2.133 1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.188 -0.865 0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.955 -3.035 0.726 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.398 -1.370 0.525 1.00 0.00 H new ATOM 349 N LYS A 22 0.043 -8.473 2.900 1.00 0.00 N ATOM 350 CA LYS A 22 -0.278 -9.803 2.406 1.00 0.00 C ATOM 351 C LYS A 22 -1.569 -9.813 1.606 1.00 0.00 C ATOM 352 O LYS A 22 -1.775 -10.676 0.764 1.00 0.00 O ATOM 353 CB LYS A 22 -0.365 -10.822 3.547 1.00 0.00 C ATOM 354 CG LYS A 22 -1.705 -10.944 4.295 1.00 0.00 C ATOM 355 CD LYS A 22 -2.610 -12.018 3.673 1.00 0.00 C ATOM 356 CE LYS A 22 -2.161 -13.468 3.902 1.00 0.00 C ATOM 357 NZ LYS A 22 -1.420 -14.004 2.760 1.00 0.00 N ATOM 0 H LYS A 22 -0.265 -8.261 3.849 1.00 0.00 H new ATOM 0 HA LYS A 22 0.538 -10.092 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.117 -11.803 3.141 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.406 -10.575 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.517 -11.188 5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.219 -9.983 4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.616 -11.899 4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.672 -11.840 2.599 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.536 -13.516 4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.035 -14.092 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.951 -14.794 2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.292 -13.257 2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.489 -14.342 3.078 1.00 0.00 H new ATOM 371 N ASP A 23 -2.420 -8.815 1.923 1.00 0.00 N ATOM 372 CA ASP A 23 -3.725 -8.767 1.310 1.00 0.00 C ATOM 373 C ASP A 23 -3.667 -8.339 -0.144 1.00 0.00 C ATOM 374 O ASP A 23 -4.185 -8.984 -1.039 1.00 0.00 O ATOM 375 CB ASP A 23 -4.653 -7.807 2.070 1.00 0.00 C ATOM 376 CG ASP A 23 -5.246 -8.396 3.357 1.00 0.00 C ATOM 377 OD1 ASP A 23 -5.254 -9.616 3.525 1.00 0.00 O ATOM 378 OD2 ASP A 23 -5.713 -7.610 4.178 1.00 0.00 O ATOM 0 H ASP A 23 -2.219 -8.062 2.581 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.119 -9.782 1.355 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.097 -6.903 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.468 -7.509 1.411 1.00 0.00 H new ATOM 383 N ALA A 24 -3.021 -7.195 -0.312 1.00 0.00 N ATOM 384 CA ALA A 24 -2.865 -6.626 -1.642 1.00 0.00 C ATOM 385 C ALA A 24 -2.197 -7.643 -2.579 1.00 0.00 C ATOM 386 O ALA A 24 -2.619 -7.905 -3.699 1.00 0.00 O ATOM 387 CB ALA A 24 -2.025 -5.349 -1.530 1.00 0.00 C ATOM 0 H ALA A 24 -2.603 -6.650 0.442 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.841 -6.381 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.898 -4.909 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.531 -4.637 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.048 -5.592 -1.113 1.00 0.00 H new ATOM 393 N GLU A 25 -1.148 -8.230 -1.985 1.00 0.00 N ATOM 394 CA GLU A 25 -0.338 -9.219 -2.639 1.00 0.00 C ATOM 395 C GLU A 25 -1.186 -10.474 -2.920 1.00 0.00 C ATOM 396 O GLU A 25 -0.947 -11.161 -3.899 1.00 0.00 O ATOM 397 CB GLU A 25 0.851 -9.498 -1.708 1.00 0.00 C ATOM 398 CG GLU A 25 2.008 -8.464 -1.740 1.00 0.00 C ATOM 399 CD GLU A 25 1.688 -6.941 -1.817 1.00 0.00 C ATOM 400 OE1 GLU A 25 0.816 -6.451 -1.104 1.00 0.00 O ATOM 401 OE2 GLU A 25 2.355 -6.239 -2.574 1.00 0.00 O ATOM 0 H GLU A 25 -0.852 -8.018 -1.032 1.00 0.00 H new ATOM 0 HA GLU A 25 0.036 -8.881 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.477 -9.562 -0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.260 -10.477 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.611 -8.624 -0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.637 -8.707 -2.596 1.00 0.00 H new ATOM 408 N ARG A 26 -2.214 -10.716 -2.061 1.00 0.00 N ATOM 409 CA ARG A 26 -3.073 -11.891 -2.255 1.00 0.00 C ATOM 410 C ARG A 26 -3.867 -11.739 -3.561 1.00 0.00 C ATOM 411 O ARG A 26 -4.139 -12.696 -4.275 1.00 0.00 O ATOM 412 CB ARG A 26 -4.090 -12.102 -1.091 1.00 0.00 C ATOM 413 CG ARG A 26 -5.506 -11.452 -1.171 1.00 0.00 C ATOM 414 CD ARG A 26 -6.111 -10.984 0.161 1.00 0.00 C ATOM 415 NE ARG A 26 -7.567 -11.051 0.082 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.355 -10.787 1.143 1.00 0.00 C ATOM 417 NH1 ARG A 26 -7.844 -10.469 2.327 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.673 -10.847 1.004 1.00 0.00 N ATOM 0 H ARG A 26 -2.453 -10.131 -1.260 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.411 -12.757 -2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.232 -13.176 -0.974 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.618 -11.741 -0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.453 -10.596 -1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.189 -12.171 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.751 -11.611 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.794 -9.964 0.379 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.002 -11.306 -0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.833 -10.420 2.449 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.463 -10.274 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.080 -11.091 0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.279 -10.649 1.800 1.00 0.00 H new ATOM 432 N GLN A 27 -4.194 -10.446 -3.800 1.00 0.00 N ATOM 433 CA GLN A 27 -5.003 -10.092 -4.963 1.00 0.00 C ATOM 434 C GLN A 27 -4.244 -10.221 -6.281 1.00 0.00 C ATOM 435 O GLN A 27 -4.791 -10.709 -7.264 1.00 0.00 O ATOM 436 CB GLN A 27 -5.624 -8.690 -4.827 1.00 0.00 C ATOM 437 CG GLN A 27 -6.492 -8.560 -3.564 1.00 0.00 C ATOM 438 CD GLN A 27 -7.575 -7.474 -3.690 1.00 0.00 C ATOM 439 OE1 GLN A 27 -7.560 -6.614 -4.561 1.00 0.00 O ATOM 440 NE2 GLN A 27 -8.529 -7.595 -2.752 1.00 0.00 N ATOM 0 H GLN A 27 -3.913 -9.660 -3.214 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.812 -10.821 -4.990 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.830 -7.944 -4.799 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.231 -8.476 -5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.968 -9.518 -3.356 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.852 -8.331 -2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.470 -8.340 -2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.312 -6.941 -2.734 1.00 0.00 H new ATOM 449 N LEU A 28 -2.970 -9.774 -6.268 1.00 0.00 N ATOM 450 CA LEU A 28 -2.220 -9.861 -7.513 1.00 0.00 C ATOM 451 C LEU A 28 -1.754 -11.300 -7.772 1.00 0.00 C ATOM 452 O LEU A 28 -1.817 -11.768 -8.898 1.00 0.00 O ATOM 453 CB LEU A 28 -1.129 -8.801 -7.534 1.00 0.00 C ATOM 454 CG LEU A 28 -1.739 -7.413 -7.370 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.620 -6.427 -7.096 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.579 -7.009 -8.588 1.00 0.00 C ATOM 0 H LEU A 28 -2.478 -9.379 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.860 -9.632 -8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.414 -8.989 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.577 -8.855 -8.473 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.429 -7.417 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.037 -5.427 -6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.097 -6.714 -6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.080 -6.430 -7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.995 -6.014 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.950 -7.002 -9.478 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.391 -7.724 -8.724 1.00 0.00 H new ATOM 468 N LEU A 29 -1.351 -11.992 -6.673 1.00 0.00 N ATOM 469 CA LEU A 29 -0.911 -13.385 -6.747 1.00 0.00 C ATOM 470 C LEU A 29 -2.053 -14.309 -7.207 1.00 0.00 C ATOM 471 O LEU A 29 -1.802 -15.405 -7.694 1.00 0.00 O ATOM 472 CB LEU A 29 -0.431 -13.855 -5.369 1.00 0.00 C ATOM 473 CG LEU A 29 0.890 -13.210 -4.938 1.00 0.00 C ATOM 474 CD1 LEU A 29 1.076 -13.355 -3.430 1.00 0.00 C ATOM 475 CD2 LEU A 29 2.076 -13.823 -5.691 1.00 0.00 C ATOM 0 H LEU A 29 -1.327 -11.596 -5.733 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.098 -13.436 -7.472 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.197 -13.628 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.311 -14.938 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 29 0.851 -12.150 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.018 -12.893 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.252 -12.863 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.091 -14.412 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.000 -13.346 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.126 -14.892 -5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.946 -13.668 -6.762 1.00 0.00 H new ATOM 487 N ALA A 30 -3.302 -13.816 -7.042 1.00 0.00 N ATOM 488 CA ALA A 30 -4.470 -14.586 -7.451 1.00 0.00 C ATOM 489 C ALA A 30 -4.356 -14.960 -8.948 1.00 0.00 C ATOM 490 O ALA A 30 -3.876 -14.174 -9.760 1.00 0.00 O ATOM 491 CB ALA A 30 -5.736 -13.753 -7.215 1.00 0.00 C ATOM 0 H ALA A 30 -3.512 -12.905 -6.635 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.525 -15.502 -6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.611 -14.327 -7.520 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.816 -13.504 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.682 -12.835 -7.800 1.00 0.00 H new ATOM 497 N PRO A 31 -4.827 -16.196 -9.286 1.00 0.00 N ATOM 498 CA PRO A 31 -4.784 -16.713 -10.659 1.00 0.00 C ATOM 499 C PRO A 31 -5.686 -15.962 -11.663 1.00 0.00 C ATOM 500 O PRO A 31 -5.723 -16.262 -12.849 1.00 0.00 O ATOM 501 CB PRO A 31 -5.230 -18.176 -10.517 1.00 0.00 C ATOM 502 CG PRO A 31 -6.042 -18.207 -9.223 1.00 0.00 C ATOM 503 CD PRO A 31 -5.415 -17.142 -8.342 1.00 0.00 C ATOM 0 HA PRO A 31 -3.785 -16.587 -11.077 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.831 -18.492 -11.370 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.374 -18.848 -10.464 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.094 -17.994 -9.412 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.995 -19.188 -8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.160 -16.661 -7.708 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.659 -17.566 -7.681 1.00 0.00 H new ATOM 511 N MET A 32 -6.402 -14.972 -11.096 1.00 0.00 N ATOM 512 CA MET A 32 -7.319 -14.100 -11.790 1.00 0.00 C ATOM 513 C MET A 32 -6.587 -13.042 -12.643 1.00 0.00 C ATOM 514 O MET A 32 -7.059 -12.640 -13.699 1.00 0.00 O ATOM 515 CB MET A 32 -8.096 -13.415 -10.661 1.00 0.00 C ATOM 516 CG MET A 32 -9.109 -14.335 -9.961 1.00 0.00 C ATOM 517 SD MET A 32 -9.215 -14.026 -8.185 1.00 0.00 S ATOM 518 CE MET A 32 -9.594 -12.266 -8.192 1.00 0.00 C ATOM 0 H MET A 32 -6.342 -14.764 -10.099 1.00 0.00 H new ATOM 0 HA MET A 32 -7.950 -14.653 -12.486 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.389 -13.039 -9.922 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.623 -12.551 -11.067 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.092 -14.195 -10.410 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.827 -15.374 -10.129 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.746 -11.922 -7.169 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.766 -11.717 -8.640 1.00 0.00 H new ATOM 0 HE3 MET A 32 -10.500 -12.091 -8.772 1.00 0.00 H new ATOM 528 N ASN A 33 -5.411 -12.627 -12.100 1.00 0.00 N ATOM 529 CA ASN A 33 -4.574 -11.588 -12.714 1.00 0.00 C ATOM 530 C ASN A 33 -3.127 -12.078 -12.970 1.00 0.00 C ATOM 531 O ASN A 33 -2.740 -13.175 -12.587 1.00 0.00 O ATOM 532 CB ASN A 33 -4.565 -10.354 -11.789 1.00 0.00 C ATOM 533 CG ASN A 33 -5.975 -9.994 -11.298 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.812 -9.555 -12.071 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.190 -10.193 -9.985 1.00 0.00 N ATOM 0 H ASN A 33 -5.029 -13.005 -11.233 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.996 -11.333 -13.686 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.921 -10.548 -10.931 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -4.139 -9.504 -12.322 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.099 -9.973 -9.578 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -5.444 -10.564 -9.396 1.00 0.00 H new ATOM 542 N LYS A 34 -2.362 -11.177 -13.637 1.00 0.00 N ATOM 543 CA LYS A 34 -0.961 -11.431 -13.989 1.00 0.00 C ATOM 544 C LYS A 34 -0.179 -10.109 -14.087 1.00 0.00 C ATOM 545 O LYS A 34 -0.765 -9.038 -14.119 1.00 0.00 O ATOM 546 CB LYS A 34 -0.847 -12.298 -15.259 1.00 0.00 C ATOM 547 CG LYS A 34 -1.811 -11.945 -16.407 1.00 0.00 C ATOM 548 CD LYS A 34 -1.724 -10.510 -16.945 1.00 0.00 C ATOM 549 CE LYS A 34 -0.598 -10.256 -17.956 1.00 0.00 C ATOM 550 NZ LYS A 34 0.742 -10.551 -17.457 1.00 0.00 N ATOM 0 H LYS A 34 -2.705 -10.265 -13.939 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.500 -12.011 -13.190 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.174 -12.226 -15.634 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.011 -13.339 -14.980 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.628 -12.633 -17.233 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.831 -12.122 -16.065 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.675 -10.257 -17.414 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.593 -9.831 -16.102 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.782 -10.860 -18.845 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.635 -9.212 -18.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.449 -10.227 -18.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.891 -10.060 -16.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.842 -11.576 -17.315 1.00 0.00 H new ATOM 564 N ALA A 35 1.169 -10.248 -14.140 1.00 0.00 N ATOM 565 CA ALA A 35 2.121 -9.131 -14.236 1.00 0.00 C ATOM 566 C ALA A 35 1.556 -7.956 -15.052 1.00 0.00 C ATOM 567 O ALA A 35 1.183 -8.099 -16.210 1.00 0.00 O ATOM 568 CB ALA A 35 3.423 -9.615 -14.881 1.00 0.00 C ATOM 0 H ALA A 35 1.626 -11.160 -14.116 1.00 0.00 H new ATOM 0 HA ALA A 35 2.309 -8.775 -13.223 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.125 -8.784 -14.950 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.858 -10.408 -14.273 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.214 -9.998 -15.880 1.00 0.00 H new ATOM 574 N GLY A 36 1.504 -6.808 -14.348 1.00 0.00 N ATOM 575 CA GLY A 36 0.973 -5.574 -14.899 1.00 0.00 C ATOM 576 C GLY A 36 -0.278 -5.132 -14.124 1.00 0.00 C ATOM 577 O GLY A 36 -0.621 -3.960 -14.046 1.00 0.00 O ATOM 0 H GLY A 36 1.831 -6.724 -13.386 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.731 -4.792 -14.853 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.725 -5.716 -15.951 1.00 0.00 H new ATOM 581 N SER A 37 -0.938 -6.152 -13.541 1.00 0.00 N ATOM 582 CA SER A 37 -2.063 -5.927 -12.644 1.00 0.00 C ATOM 583 C SER A 37 -1.409 -5.416 -11.340 1.00 0.00 C ATOM 584 O SER A 37 -0.572 -6.091 -10.742 1.00 0.00 O ATOM 585 CB SER A 37 -2.818 -7.267 -12.394 1.00 0.00 C ATOM 586 OG SER A 37 -2.026 -8.455 -11.988 1.00 0.00 O ATOM 0 H SER A 37 -0.703 -7.135 -13.682 1.00 0.00 H new ATOM 0 HA SER A 37 -2.794 -5.224 -13.043 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.568 -7.088 -11.623 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.355 -7.522 -13.308 1.00 0.00 H new ATOM 0 HG SER A 37 -1.726 -8.937 -12.787 1.00 0.00 H new ATOM 592 N PHE A 38 -1.807 -4.169 -10.985 1.00 0.00 N ATOM 593 CA PHE A 38 -1.243 -3.479 -9.824 1.00 0.00 C ATOM 594 C PHE A 38 -2.383 -2.945 -8.909 1.00 0.00 C ATOM 595 O PHE A 38 -3.545 -2.880 -9.289 1.00 0.00 O ATOM 596 CB PHE A 38 -0.548 -2.162 -10.296 1.00 0.00 C ATOM 597 CG PHE A 38 0.770 -2.197 -11.034 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.204 -3.241 -11.836 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.610 -1.097 -10.907 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.429 -3.171 -12.490 1.00 0.00 C ATOM 601 CE2 PHE A 38 2.860 -1.052 -11.502 1.00 0.00 C ATOM 602 CZ PHE A 38 3.278 -2.099 -12.306 1.00 0.00 C ATOM 0 H PHE A 38 -2.513 -3.633 -11.490 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.579 -4.184 -9.323 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.258 -1.638 -10.936 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.401 -1.544 -9.410 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.584 -4.118 -11.954 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.277 -0.250 -10.326 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.721 -3.971 -13.154 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.507 -0.203 -11.339 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.249 -2.077 -12.779 1.00 0.00 H new ATOM 612 N LEU A 39 -1.914 -2.521 -7.704 1.00 0.00 N ATOM 613 CA LEU A 39 -2.714 -1.892 -6.635 1.00 0.00 C ATOM 614 C LEU A 39 -1.769 -0.808 -6.084 1.00 0.00 C ATOM 615 O LEU A 39 -0.609 -0.797 -6.474 1.00 0.00 O ATOM 616 CB LEU A 39 -3.003 -2.793 -5.408 1.00 0.00 C ATOM 617 CG LEU A 39 -3.081 -4.288 -5.676 1.00 0.00 C ATOM 618 CD1 LEU A 39 -2.427 -5.068 -4.552 1.00 0.00 C ATOM 619 CD2 LEU A 39 -4.462 -4.846 -5.790 1.00 0.00 C ATOM 0 H LEU A 39 -0.931 -2.615 -7.448 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.673 -1.591 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.226 -2.618 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.946 -2.475 -4.964 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.577 -4.397 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.494 -6.135 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.379 -4.779 -4.470 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.938 -4.851 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.407 -5.918 -5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.003 -4.671 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.985 -4.357 -6.612 1.00 0.00 H new ATOM 631 N ILE A 40 -2.244 0.074 -5.164 1.00 0.00 N ATOM 632 CA ILE A 40 -1.216 1.003 -4.685 1.00 0.00 C ATOM 633 C ILE A 40 -1.711 1.319 -3.250 1.00 0.00 C ATOM 634 O ILE A 40 -2.575 2.158 -3.013 1.00 0.00 O ATOM 635 CB ILE A 40 -1.078 2.165 -5.708 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.335 2.731 -5.817 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.866 3.414 -5.332 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.531 3.165 -7.279 1.00 0.00 C ATOM 0 H ILE A 40 -3.190 0.155 -4.790 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.186 0.652 -4.619 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.428 1.681 -6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.465 3.577 -5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.074 1.981 -5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.719 4.180 -6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.926 3.169 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.517 3.788 -4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.532 3.578 -7.405 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.409 2.302 -7.934 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.209 3.923 -7.536 1.00 0.00 H new ATOM 650 N ARG A 41 -1.156 0.515 -2.313 1.00 0.00 N ATOM 651 CA ARG A 41 -1.548 0.618 -0.924 1.00 0.00 C ATOM 652 C ARG A 41 -0.895 1.838 -0.278 1.00 0.00 C ATOM 653 O ARG A 41 0.295 2.076 -0.435 1.00 0.00 O ATOM 654 CB ARG A 41 -1.246 -0.717 -0.210 1.00 0.00 C ATOM 655 CG ARG A 41 0.223 -0.970 0.177 1.00 0.00 C ATOM 656 CD ARG A 41 0.605 -0.447 1.573 1.00 0.00 C ATOM 657 NE ARG A 41 -0.092 -1.170 2.633 1.00 0.00 N ATOM 658 CZ ARG A 41 -0.011 -0.828 3.940 1.00 0.00 C ATOM 659 NH1 ARG A 41 0.668 0.233 4.353 1.00 0.00 N ATOM 660 NH2 ARG A 41 -0.631 -1.578 4.837 1.00 0.00 N ATOM 0 H ARG A 41 -0.449 -0.194 -2.507 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.622 0.783 -0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.851 -0.764 0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.574 -1.532 -0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.419 -2.042 0.136 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.869 -0.500 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.681 -0.543 1.715 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.368 0.615 1.641 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.668 -1.972 2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.152 0.823 3.677 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.706 0.459 5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.159 -2.398 4.539 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.581 -1.336 5.827 1.00 0.00 H new ATOM 674 N GLU A 42 -1.742 2.596 0.453 1.00 0.00 N ATOM 675 CA GLU A 42 -1.220 3.787 1.122 1.00 0.00 C ATOM 676 C GLU A 42 -0.362 3.390 2.321 1.00 0.00 C ATOM 677 O GLU A 42 -0.511 2.308 2.865 1.00 0.00 O ATOM 678 CB GLU A 42 -2.346 4.755 1.554 1.00 0.00 C ATOM 679 CG GLU A 42 -2.919 4.529 2.949 1.00 0.00 C ATOM 680 CD GLU A 42 -4.021 5.546 3.286 1.00 0.00 C ATOM 681 OE1 GLU A 42 -3.684 6.646 3.717 1.00 0.00 O ATOM 682 OE2 GLU A 42 -5.197 5.225 3.118 1.00 0.00 O ATOM 0 H GLU A 42 -2.736 2.412 0.586 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.599 4.319 0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.963 5.774 1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.159 4.681 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.324 3.519 3.016 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.120 4.602 3.686 1.00 0.00 H new ATOM 689 N SER A 43 0.562 4.298 2.678 1.00 0.00 N ATOM 690 CA SER A 43 1.340 4.029 3.871 1.00 0.00 C ATOM 691 C SER A 43 0.538 4.685 5.006 1.00 0.00 C ATOM 692 O SER A 43 0.374 5.896 5.057 1.00 0.00 O ATOM 693 CB SER A 43 2.722 4.735 3.903 1.00 0.00 C ATOM 694 OG SER A 43 3.270 5.102 5.238 1.00 0.00 O ATOM 0 H SER A 43 0.772 5.167 2.187 1.00 0.00 H new ATOM 0 HA SER A 43 1.509 2.954 3.935 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.444 4.085 3.409 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.650 5.644 3.306 1.00 0.00 H new ATOM 0 HG SER A 43 4.239 5.234 5.169 1.00 0.00 H new ATOM 700 N GLU A 44 0.054 3.828 5.904 1.00 0.00 N ATOM 701 CA GLU A 44 -0.748 4.311 7.018 1.00 0.00 C ATOM 702 C GLU A 44 0.072 5.069 8.084 1.00 0.00 C ATOM 703 O GLU A 44 -0.440 5.899 8.823 1.00 0.00 O ATOM 704 CB GLU A 44 -1.449 3.090 7.626 1.00 0.00 C ATOM 705 CG GLU A 44 -0.498 1.906 7.929 1.00 0.00 C ATOM 706 CD GLU A 44 -1.245 0.665 8.451 1.00 0.00 C ATOM 707 OE1 GLU A 44 -1.848 0.748 9.521 1.00 0.00 O ATOM 708 OE2 GLU A 44 -1.206 -0.375 7.787 1.00 0.00 O ATOM 0 H GLU A 44 0.200 2.819 5.882 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.466 5.043 6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.945 3.390 8.549 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.227 2.752 6.942 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.048 1.642 7.023 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.241 2.218 8.667 1.00 0.00 H new ATOM 715 N SER A 45 1.369 4.729 8.094 1.00 0.00 N ATOM 716 CA SER A 45 2.353 5.250 9.028 1.00 0.00 C ATOM 717 C SER A 45 2.932 6.634 8.643 1.00 0.00 C ATOM 718 O SER A 45 3.654 7.197 9.457 1.00 0.00 O ATOM 719 CB SER A 45 3.481 4.174 9.005 1.00 0.00 C ATOM 720 OG SER A 45 3.756 3.463 7.725 1.00 0.00 O ATOM 0 H SER A 45 1.764 4.064 7.429 1.00 0.00 H new ATOM 0 HA SER A 45 1.900 5.417 10.005 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.406 4.656 9.322 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.239 3.423 9.757 1.00 0.00 H new ATOM 0 HG SER A 45 3.649 4.085 6.976 1.00 0.00 H new ATOM 726 N ASN A 46 2.627 7.181 7.433 1.00 0.00 N ATOM 727 CA ASN A 46 3.211 8.483 7.082 1.00 0.00 C ATOM 728 C ASN A 46 2.105 9.542 6.744 1.00 0.00 C ATOM 729 O ASN A 46 0.916 9.353 6.965 1.00 0.00 O ATOM 730 CB ASN A 46 4.130 8.285 5.844 1.00 0.00 C ATOM 731 CG ASN A 46 3.397 8.481 4.557 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.701 9.442 3.870 1.00 0.00 O ATOM 733 ND2 ASN A 46 2.368 7.652 4.341 1.00 0.00 N ATOM 0 H ASN A 46 2.017 6.763 6.730 1.00 0.00 H new ATOM 0 HA ASN A 46 3.776 8.856 7.936 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.962 8.987 5.896 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.557 7.282 5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.754 7.799 3.540 1.00 0.00 H new ATOM 0 HD22 ASN A 46 2.198 6.874 4.978 1.00 0.00 H new ATOM 740 N LYS A 47 2.644 10.646 6.158 1.00 0.00 N ATOM 741 CA LYS A 47 1.929 11.792 5.629 1.00 0.00 C ATOM 742 C LYS A 47 1.756 11.783 4.070 1.00 0.00 C ATOM 743 O LYS A 47 2.470 12.453 3.335 1.00 0.00 O ATOM 744 CB LYS A 47 2.466 13.063 6.298 1.00 0.00 C ATOM 745 CG LYS A 47 3.636 13.713 5.580 1.00 0.00 C ATOM 746 CD LYS A 47 4.819 12.793 5.262 1.00 0.00 C ATOM 747 CE LYS A 47 5.729 12.576 6.473 1.00 0.00 C ATOM 748 NZ LYS A 47 6.529 13.759 6.792 1.00 0.00 N ATOM 0 H LYS A 47 3.653 10.744 6.046 1.00 0.00 H new ATOM 0 HA LYS A 47 0.876 11.744 5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.655 13.788 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.772 12.820 7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.272 14.141 4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.998 14.541 6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.444 11.830 4.915 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.400 13.222 4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.121 12.309 7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.393 11.734 6.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.256 13.508 7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.988 14.111 5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.913 14.500 7.183 1.00 0.00 H new ATOM 762 N GLY A 48 0.771 10.978 3.602 1.00 0.00 N ATOM 763 CA GLY A 48 0.448 10.933 2.163 1.00 0.00 C ATOM 764 C GLY A 48 1.248 9.991 1.235 1.00 0.00 C ATOM 765 O GLY A 48 1.027 9.993 0.030 1.00 0.00 O ATOM 0 H GLY A 48 0.201 10.367 4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.605 10.665 2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.554 11.945 1.772 1.00 0.00 H new ATOM 769 N ALA A 49 2.146 9.182 1.827 1.00 0.00 N ATOM 770 CA ALA A 49 2.990 8.236 1.064 1.00 0.00 C ATOM 771 C ALA A 49 2.159 6.994 0.731 1.00 0.00 C ATOM 772 O ALA A 49 1.132 6.751 1.346 1.00 0.00 O ATOM 773 CB ALA A 49 4.290 7.777 1.794 1.00 0.00 C ATOM 0 H ALA A 49 2.308 9.163 2.834 1.00 0.00 H new ATOM 0 HA ALA A 49 3.315 8.777 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.841 7.086 1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.912 8.646 2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.027 7.278 2.727 1.00 0.00 H new ATOM 779 N PHE A 50 2.662 6.254 -0.278 1.00 0.00 N ATOM 780 CA PHE A 50 2.020 5.043 -0.780 1.00 0.00 C ATOM 781 C PHE A 50 3.087 3.929 -0.958 1.00 0.00 C ATOM 782 O PHE A 50 4.222 4.035 -0.508 1.00 0.00 O ATOM 783 CB PHE A 50 1.250 5.418 -2.084 1.00 0.00 C ATOM 784 CG PHE A 50 -0.152 5.895 -1.796 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.399 7.172 -1.301 1.00 0.00 C ATOM 786 CD2 PHE A 50 -1.230 5.042 -1.999 1.00 0.00 C ATOM 787 CE1 PHE A 50 -1.690 7.574 -0.981 1.00 0.00 C ATOM 788 CE2 PHE A 50 -2.524 5.444 -1.706 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.753 6.710 -1.189 1.00 0.00 C ATOM 0 H PHE A 50 3.528 6.489 -0.763 1.00 0.00 H new ATOM 0 HA PHE A 50 1.290 4.636 -0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.796 6.197 -2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.210 4.551 -2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.423 7.859 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.057 4.051 -2.391 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.864 8.558 -0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.352 4.773 -1.880 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.759 7.022 -0.949 1.00 0.00 H new ATOM 799 N SER A 51 2.639 2.860 -1.654 1.00 0.00 N ATOM 800 CA SER A 51 3.446 1.684 -2.001 1.00 0.00 C ATOM 801 C SER A 51 2.773 1.008 -3.203 1.00 0.00 C ATOM 802 O SER A 51 1.566 1.123 -3.349 1.00 0.00 O ATOM 803 CB SER A 51 3.587 0.709 -0.801 1.00 0.00 C ATOM 804 OG SER A 51 3.567 1.249 0.580 1.00 0.00 O ATOM 0 H SER A 51 1.680 2.796 -1.996 1.00 0.00 H new ATOM 0 HA SER A 51 4.461 1.986 -2.257 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.783 -0.023 -0.878 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.525 0.168 -0.927 1.00 0.00 H new ATOM 0 HG SER A 51 4.460 1.169 0.975 1.00 0.00 H new ATOM 810 N LEU A 52 3.574 0.308 -4.031 1.00 0.00 N ATOM 811 CA LEU A 52 3.026 -0.295 -5.247 1.00 0.00 C ATOM 812 C LEU A 52 3.335 -1.793 -5.371 1.00 0.00 C ATOM 813 O LEU A 52 4.477 -2.227 -5.352 1.00 0.00 O ATOM 814 CB LEU A 52 3.654 0.534 -6.380 1.00 0.00 C ATOM 815 CG LEU A 52 3.225 0.206 -7.813 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.704 0.216 -7.926 1.00 0.00 C ATOM 817 CD2 LEU A 52 3.845 1.221 -8.794 1.00 0.00 C ATOM 0 H LEU A 52 4.571 0.153 -3.882 1.00 0.00 H new ATOM 0 HA LEU A 52 1.936 -0.267 -5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.430 1.584 -6.193 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.737 0.423 -6.319 1.00 0.00 H new ATOM 0 HG LEU A 52 3.582 -0.791 -8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.414 -0.019 -8.950 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.284 -0.529 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.326 1.203 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.535 0.980 -9.811 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.507 2.226 -8.540 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.932 1.176 -8.726 1.00 0.00 H new ATOM 829 N SER A 53 2.215 -2.533 -5.525 1.00 0.00 N ATOM 830 CA SER A 53 2.224 -3.979 -5.651 1.00 0.00 C ATOM 831 C SER A 53 2.060 -4.336 -7.142 1.00 0.00 C ATOM 832 O SER A 53 1.206 -3.780 -7.817 1.00 0.00 O ATOM 833 CB SER A 53 1.009 -4.528 -4.828 1.00 0.00 C ATOM 834 OG SER A 53 0.712 -3.960 -3.486 1.00 0.00 O ATOM 0 H SER A 53 1.281 -2.126 -5.564 1.00 0.00 H new ATOM 0 HA SER A 53 3.153 -4.412 -5.280 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.116 -4.401 -5.441 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.159 -5.600 -4.702 1.00 0.00 H new ATOM 0 HG SER A 53 1.140 -4.509 -2.796 1.00 0.00 H new ATOM 840 N VAL A 54 2.913 -5.271 -7.620 1.00 0.00 N ATOM 841 CA VAL A 54 2.847 -5.723 -9.022 1.00 0.00 C ATOM 842 C VAL A 54 3.180 -7.206 -9.037 1.00 0.00 C ATOM 843 O VAL A 54 4.072 -7.602 -8.309 1.00 0.00 O ATOM 844 CB VAL A 54 3.873 -5.019 -9.932 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.728 -5.485 -11.391 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.828 -3.513 -9.696 1.00 0.00 C ATOM 0 H VAL A 54 3.642 -5.718 -7.064 1.00 0.00 H new ATOM 0 HA VAL A 54 1.850 -5.495 -9.398 1.00 0.00 H new ATOM 0 HB VAL A 54 4.890 -5.313 -9.670 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.464 -4.973 -12.011 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.892 -6.561 -11.447 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.725 -5.252 -11.750 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.555 -3.022 -10.342 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.830 -3.139 -9.923 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.067 -3.301 -8.654 1.00 0.00 H new ATOM 856 N LYS A 55 2.508 -8.007 -9.897 1.00 0.00 N ATOM 857 CA LYS A 55 2.872 -9.428 -9.844 1.00 0.00 C ATOM 858 C LYS A 55 4.178 -9.738 -10.612 1.00 0.00 C ATOM 859 O LYS A 55 4.157 -9.757 -11.836 1.00 0.00 O ATOM 860 CB LYS A 55 1.756 -10.257 -10.480 1.00 0.00 C ATOM 861 CG LYS A 55 2.044 -11.770 -10.493 1.00 0.00 C ATOM 862 CD LYS A 55 0.943 -12.600 -9.839 1.00 0.00 C ATOM 863 CE LYS A 55 -0.161 -12.973 -10.830 1.00 0.00 C ATOM 864 NZ LYS A 55 -1.062 -14.009 -10.344 1.00 0.00 N ATOM 0 H LYS A 55 1.789 -7.730 -10.565 1.00 0.00 H new ATOM 0 HA LYS A 55 3.020 -9.678 -8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.827 -10.077 -9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.600 -9.916 -11.504 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.174 -12.099 -11.524 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.986 -11.958 -9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.375 -13.508 -9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.511 -12.040 -9.010 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.741 -12.081 -11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.297 -13.310 -11.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.528 -14.470 -11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.521 -14.716 -9.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.782 -13.582 -9.727 1.00 0.00 H new ATOM 878 N ASP A 56 5.304 -9.986 -9.871 1.00 0.00 N ATOM 879 CA ASP A 56 6.502 -10.361 -10.641 1.00 0.00 C ATOM 880 C ASP A 56 6.360 -11.854 -10.991 1.00 0.00 C ATOM 881 O ASP A 56 5.982 -12.662 -10.155 1.00 0.00 O ATOM 882 CB ASP A 56 7.813 -10.098 -9.871 1.00 0.00 C ATOM 883 CG ASP A 56 8.821 -9.214 -10.635 1.00 0.00 C ATOM 884 OD1 ASP A 56 8.407 -8.309 -11.357 1.00 0.00 O ATOM 885 OD2 ASP A 56 10.023 -9.434 -10.478 1.00 0.00 O ATOM 0 H ASP A 56 5.396 -9.938 -8.856 1.00 0.00 H new ATOM 0 HA ASP A 56 6.565 -9.746 -11.539 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.575 -9.622 -8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.285 -11.053 -9.640 1.00 0.00 H new ATOM 890 N ILE A 57 6.652 -12.158 -12.272 1.00 0.00 N ATOM 891 CA ILE A 57 6.546 -13.537 -12.755 1.00 0.00 C ATOM 892 C ILE A 57 7.900 -13.995 -13.326 1.00 0.00 C ATOM 893 O ILE A 57 8.594 -13.262 -14.021 1.00 0.00 O ATOM 894 CB ILE A 57 5.386 -13.665 -13.760 1.00 0.00 C ATOM 895 CG1 ILE A 57 4.074 -13.145 -13.130 1.00 0.00 C ATOM 896 CG2 ILE A 57 5.231 -15.126 -14.229 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.815 -13.495 -13.917 1.00 0.00 C ATOM 0 H ILE A 57 6.956 -11.480 -12.971 1.00 0.00 H new ATOM 0 HA ILE A 57 6.309 -14.206 -11.928 1.00 0.00 H new ATOM 0 HB ILE A 57 5.613 -13.055 -14.634 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.983 -13.551 -12.123 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.137 -12.061 -13.032 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.406 -15.195 -14.938 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.152 -15.453 -14.711 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.025 -15.764 -13.370 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.942 -13.092 -13.404 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.879 -13.065 -14.917 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.723 -14.578 -13.993 1.00 0.00 H new ATOM 909 N THR A 58 8.211 -15.259 -12.967 1.00 0.00 N ATOM 910 CA THR A 58 9.452 -15.915 -13.373 1.00 0.00 C ATOM 911 C THR A 58 9.255 -17.436 -13.361 1.00 0.00 C ATOM 912 O THR A 58 8.255 -17.939 -12.861 1.00 0.00 O ATOM 913 CB THR A 58 10.598 -15.555 -12.377 1.00 0.00 C ATOM 914 OG1 THR A 58 11.926 -16.080 -12.693 1.00 0.00 O ATOM 915 CG2 THR A 58 10.153 -15.753 -10.890 1.00 0.00 C ATOM 0 H THR A 58 7.606 -15.843 -12.390 1.00 0.00 H new ATOM 0 HA THR A 58 9.716 -15.577 -14.375 1.00 0.00 H new ATOM 0 HB THR A 58 10.763 -14.487 -12.520 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.563 -15.793 -12.006 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.977 -15.493 -10.226 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.299 -15.111 -10.677 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.873 -16.794 -10.730 1.00 0.00 H new ATOM 923 N THR A 59 10.276 -18.138 -13.912 1.00 0.00 N ATOM 924 CA THR A 59 10.226 -19.602 -13.955 1.00 0.00 C ATOM 925 C THR A 59 10.727 -20.239 -12.643 1.00 0.00 C ATOM 926 O THR A 59 11.035 -21.425 -12.601 1.00 0.00 O ATOM 927 CB THR A 59 10.992 -20.209 -15.172 1.00 0.00 C ATOM 928 OG1 THR A 59 11.022 -21.674 -15.269 1.00 0.00 O ATOM 929 CG2 THR A 59 12.384 -19.546 -15.397 1.00 0.00 C ATOM 0 H THR A 59 11.114 -17.722 -14.318 1.00 0.00 H new ATOM 0 HA THR A 59 9.171 -19.847 -14.080 1.00 0.00 H new ATOM 0 HB THR A 59 10.363 -19.936 -16.019 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.037 -22.061 -14.369 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.872 -20.007 -16.256 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.253 -18.480 -15.583 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.002 -19.687 -14.510 1.00 0.00 H new ATOM 937 N GLN A 60 10.795 -19.403 -11.581 1.00 0.00 N ATOM 938 CA GLN A 60 11.230 -19.902 -10.274 1.00 0.00 C ATOM 939 C GLN A 60 10.184 -19.612 -9.169 1.00 0.00 C ATOM 940 O GLN A 60 10.484 -19.745 -7.989 1.00 0.00 O ATOM 941 CB GLN A 60 12.622 -19.367 -9.913 1.00 0.00 C ATOM 942 CG GLN A 60 13.736 -19.867 -10.857 1.00 0.00 C ATOM 943 CD GLN A 60 14.241 -21.260 -10.443 1.00 0.00 C ATOM 944 OE1 GLN A 60 15.130 -21.404 -9.614 1.00 0.00 O ATOM 945 NE2 GLN A 60 13.623 -22.270 -11.076 1.00 0.00 N ATOM 0 H GLN A 60 10.560 -18.411 -11.608 1.00 0.00 H new ATOM 0 HA GLN A 60 11.310 -20.987 -10.344 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.601 -18.277 -9.934 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.862 -19.662 -8.892 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.359 -19.904 -11.879 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.566 -19.160 -10.849 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.889 -22.073 -11.756 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.887 -23.235 -10.877 1.00 0.00 H new ATOM 954 N GLY A 61 8.959 -19.223 -9.604 1.00 0.00 N ATOM 955 CA GLY A 61 7.870 -18.947 -8.666 1.00 0.00 C ATOM 956 C GLY A 61 7.283 -17.539 -8.817 1.00 0.00 C ATOM 957 O GLY A 61 7.996 -16.546 -8.881 1.00 0.00 O ATOM 0 H GLY A 61 8.714 -19.098 -10.586 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.078 -19.681 -8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.236 -19.073 -7.647 1.00 0.00 H new ATOM 961 N GLU A 62 5.933 -17.528 -8.848 1.00 0.00 N ATOM 962 CA GLU A 62 5.179 -16.294 -8.981 1.00 0.00 C ATOM 963 C GLU A 62 5.180 -15.543 -7.631 1.00 0.00 C ATOM 964 O GLU A 62 5.022 -16.138 -6.571 1.00 0.00 O ATOM 965 CB GLU A 62 3.747 -16.651 -9.391 1.00 0.00 C ATOM 966 CG GLU A 62 3.166 -15.525 -10.236 1.00 0.00 C ATOM 967 CD GLU A 62 1.722 -15.795 -10.684 1.00 0.00 C ATOM 968 OE1 GLU A 62 0.898 -16.158 -9.846 1.00 0.00 O ATOM 969 OE2 GLU A 62 1.428 -15.619 -11.866 1.00 0.00 O ATOM 0 H GLU A 62 5.357 -18.367 -8.782 1.00 0.00 H new ATOM 0 HA GLU A 62 5.628 -15.649 -9.736 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.740 -17.584 -9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.132 -16.810 -8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.196 -14.597 -9.665 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.792 -15.378 -11.116 1.00 0.00 H new ATOM 976 N VAL A 63 5.379 -14.215 -7.748 1.00 0.00 N ATOM 977 CA VAL A 63 5.439 -13.330 -6.593 1.00 0.00 C ATOM 978 C VAL A 63 4.653 -12.050 -6.940 1.00 0.00 C ATOM 979 O VAL A 63 3.856 -12.011 -7.866 1.00 0.00 O ATOM 980 CB VAL A 63 6.926 -13.013 -6.295 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.745 -14.283 -6.031 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.579 -12.176 -7.412 1.00 0.00 C ATOM 0 H VAL A 63 5.500 -13.740 -8.642 1.00 0.00 H new ATOM 0 HA VAL A 63 5.000 -13.788 -5.707 1.00 0.00 H new ATOM 0 HB VAL A 63 6.929 -12.415 -5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.781 -14.012 -5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.332 -14.810 -5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.705 -14.930 -6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.621 -11.979 -7.158 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.532 -12.725 -8.353 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.047 -11.231 -7.517 1.00 0.00 H new ATOM 992 N VAL A 64 4.947 -11.026 -6.118 1.00 0.00 N ATOM 993 CA VAL A 64 4.433 -9.674 -6.249 1.00 0.00 C ATOM 994 C VAL A 64 5.700 -8.785 -6.199 1.00 0.00 C ATOM 995 O VAL A 64 6.793 -9.301 -6.374 1.00 0.00 O ATOM 996 CB VAL A 64 3.190 -9.449 -5.346 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.824 -7.999 -5.053 1.00 0.00 C ATOM 998 CG2 VAL A 64 1.939 -9.981 -6.043 1.00 0.00 C ATOM 0 H VAL A 64 5.573 -11.134 -5.320 1.00 0.00 H new ATOM 0 HA VAL A 64 3.941 -9.394 -7.181 1.00 0.00 H new ATOM 0 HB VAL A 64 3.473 -9.951 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.941 -7.968 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.656 -7.509 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.613 -7.481 -5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.070 -9.820 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.797 -9.455 -6.987 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.055 -11.048 -6.235 1.00 0.00 H new ATOM 1008 N LYS A 65 5.529 -7.467 -6.036 1.00 0.00 N ATOM 1009 CA LYS A 65 6.605 -6.478 -5.955 1.00 0.00 C ATOM 1010 C LYS A 65 6.158 -5.371 -4.996 1.00 0.00 C ATOM 1011 O LYS A 65 5.008 -5.335 -4.589 1.00 0.00 O ATOM 1012 CB LYS A 65 6.892 -5.880 -7.348 1.00 0.00 C ATOM 1013 CG LYS A 65 7.480 -6.906 -8.320 1.00 0.00 C ATOM 1014 CD LYS A 65 8.944 -7.249 -7.995 1.00 0.00 C ATOM 1015 CE LYS A 65 9.952 -6.542 -8.906 1.00 0.00 C ATOM 1016 NZ LYS A 65 11.240 -7.228 -8.877 1.00 0.00 N ATOM 0 H LYS A 65 4.603 -7.047 -5.954 1.00 0.00 H new ATOM 0 HA LYS A 65 7.519 -6.950 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.968 -5.479 -7.764 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.584 -5.044 -7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.881 -7.816 -8.290 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.418 -6.517 -9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.151 -6.980 -6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.084 -8.327 -8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.571 -6.515 -9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.077 -5.508 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.965 -6.624 -9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.505 -7.427 -7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.169 -8.122 -9.404 1.00 0.00 H new ATOM 1030 N HIS A 66 7.120 -4.486 -4.652 1.00 0.00 N ATOM 1031 CA HIS A 66 6.850 -3.364 -3.755 1.00 0.00 C ATOM 1032 C HIS A 66 7.694 -2.137 -4.211 1.00 0.00 C ATOM 1033 O HIS A 66 8.909 -2.252 -4.304 1.00 0.00 O ATOM 1034 CB HIS A 66 7.374 -3.683 -2.336 1.00 0.00 C ATOM 1035 CG HIS A 66 6.713 -4.865 -1.659 1.00 0.00 C ATOM 1036 ND1 HIS A 66 5.442 -5.272 -1.852 1.00 0.00 N ATOM 1037 CD2 HIS A 66 7.302 -5.714 -0.705 1.00 0.00 C ATOM 1038 CE1 HIS A 66 5.267 -6.334 -1.044 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.373 -6.623 -0.339 1.00 0.00 N ATOM 0 H HIS A 66 8.083 -4.535 -4.985 1.00 0.00 H new ATOM 0 HA HIS A 66 5.776 -3.176 -3.767 1.00 0.00 H new ATOM 0 HB2 HIS A 66 8.446 -3.870 -2.395 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.238 -2.802 -1.709 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.754 -4.859 -2.482 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.314 -5.650 -0.333 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.344 -6.890 -0.971 1.00 0.00 H new ATOM 1047 N TYR A 67 7.042 -0.980 -4.480 1.00 0.00 N ATOM 1048 CA TYR A 67 7.788 0.235 -4.868 1.00 0.00 C ATOM 1049 C TYR A 67 7.310 1.348 -3.937 1.00 0.00 C ATOM 1050 O TYR A 67 6.121 1.612 -3.831 1.00 0.00 O ATOM 1051 CB TYR A 67 7.630 0.668 -6.339 1.00 0.00 C ATOM 1052 CG TYR A 67 7.817 -0.478 -7.285 1.00 0.00 C ATOM 1053 CD1 TYR A 67 6.798 -1.397 -7.441 1.00 0.00 C ATOM 1054 CD2 TYR A 67 9.003 -0.653 -7.982 1.00 0.00 C ATOM 1055 CE1 TYR A 67 6.953 -2.511 -8.235 1.00 0.00 C ATOM 1056 CE2 TYR A 67 9.173 -1.761 -8.807 1.00 0.00 C ATOM 1057 CZ TYR A 67 8.142 -2.699 -8.945 1.00 0.00 C ATOM 1058 OH TYR A 67 8.302 -3.812 -9.758 1.00 0.00 O ATOM 0 H TYR A 67 6.029 -0.865 -4.437 1.00 0.00 H new ATOM 0 HA TYR A 67 8.852 0.019 -4.773 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.640 1.101 -6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.356 1.448 -6.567 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.860 -1.239 -6.930 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.797 0.073 -7.884 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.158 -3.238 -8.309 1.00 0.00 H new ATOM 0 HE2 TYR A 67 10.101 -1.898 -9.342 1.00 0.00 H new ATOM 0 HH TYR A 67 9.251 -3.927 -9.973 1.00 0.00 H new ATOM 1068 N LYS A 68 8.303 1.965 -3.271 1.00 0.00 N ATOM 1069 CA LYS A 68 8.041 3.029 -2.309 1.00 0.00 C ATOM 1070 C LYS A 68 7.876 4.413 -2.954 1.00 0.00 C ATOM 1071 O LYS A 68 8.822 5.122 -3.277 1.00 0.00 O ATOM 1072 CB LYS A 68 9.085 3.057 -1.179 1.00 0.00 C ATOM 1073 CG LYS A 68 10.471 2.564 -1.594 1.00 0.00 C ATOM 1074 CD LYS A 68 11.115 3.331 -2.756 1.00 0.00 C ATOM 1075 CE LYS A 68 11.602 4.736 -2.383 1.00 0.00 C ATOM 1076 NZ LYS A 68 12.785 4.706 -1.528 1.00 0.00 N ATOM 0 H LYS A 68 9.291 1.739 -3.388 1.00 0.00 H new ATOM 0 HA LYS A 68 7.076 2.785 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.172 4.077 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.726 2.444 -0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.133 2.621 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.398 1.512 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.959 2.754 -3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.393 3.412 -3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.828 5.293 -3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.802 5.271 -1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.126 5.676 -1.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.542 4.274 -0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.531 4.146 -1.988 1.00 0.00 H new ATOM 1090 N ILE A 69 6.580 4.739 -3.081 1.00 0.00 N ATOM 1091 CA ILE A 69 6.201 6.054 -3.592 1.00 0.00 C ATOM 1092 C ILE A 69 6.091 7.028 -2.401 1.00 0.00 C ATOM 1093 O ILE A 69 5.134 6.979 -1.643 1.00 0.00 O ATOM 1094 CB ILE A 69 4.894 6.119 -4.435 1.00 0.00 C ATOM 1095 CG1 ILE A 69 3.803 5.099 -4.108 1.00 0.00 C ATOM 1096 CG2 ILE A 69 5.031 6.380 -5.924 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.679 3.877 -5.020 1.00 0.00 C ATOM 0 H ILE A 69 5.801 4.126 -2.843 1.00 0.00 H new ATOM 0 HA ILE A 69 6.989 6.328 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 69 4.514 7.061 -4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.969 4.744 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.845 5.619 -4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.042 6.399 -6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.522 7.340 -6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.627 5.589 -6.379 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.866 3.242 -4.669 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.471 4.203 -6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.612 3.314 -5.003 1.00 0.00 H new ATOM 1109 N ARG A 70 7.108 7.904 -2.275 1.00 0.00 N ATOM 1110 CA ARG A 70 7.028 8.918 -1.227 1.00 0.00 C ATOM 1111 C ARG A 70 6.114 10.003 -1.799 1.00 0.00 C ATOM 1112 O ARG A 70 5.853 10.016 -2.992 1.00 0.00 O ATOM 1113 CB ARG A 70 8.411 9.517 -0.935 1.00 0.00 C ATOM 1114 CG ARG A 70 9.195 8.764 0.136 1.00 0.00 C ATOM 1115 CD ARG A 70 9.756 7.467 -0.412 1.00 0.00 C ATOM 1116 NE ARG A 70 10.680 6.877 0.553 1.00 0.00 N ATOM 1117 CZ ARG A 70 10.309 6.028 1.538 1.00 0.00 C ATOM 1118 NH1 ARG A 70 9.060 5.594 1.664 1.00 0.00 N ATOM 1119 NH2 ARG A 70 11.215 5.622 2.416 1.00 0.00 N ATOM 0 H ARG A 70 7.947 7.927 -2.855 1.00 0.00 H new ATOM 0 HA ARG A 70 6.657 8.498 -0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.993 9.530 -1.857 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.289 10.554 -0.621 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.008 9.390 0.503 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.546 8.553 0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.945 6.771 -0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.271 7.653 -1.355 1.00 0.00 H new ATOM 0 HE ARG A 70 11.668 7.121 0.479 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.345 5.901 1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.816 4.954 2.420 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.178 5.950 2.344 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.949 4.982 3.164 1.00 0.00 H new ATOM 1133 N SER A 71 5.645 10.872 -0.896 1.00 0.00 N ATOM 1134 CA SER A 71 4.762 11.953 -1.320 1.00 0.00 C ATOM 1135 C SER A 71 5.433 13.289 -1.017 1.00 0.00 C ATOM 1136 O SER A 71 5.744 13.614 0.122 1.00 0.00 O ATOM 1137 CB SER A 71 3.407 11.841 -0.590 1.00 0.00 C ATOM 1138 OG SER A 71 3.364 11.836 0.890 1.00 0.00 O ATOM 0 H SER A 71 5.856 10.848 0.102 1.00 0.00 H new ATOM 0 HA SER A 71 4.576 11.884 -2.392 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.786 12.670 -0.930 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.929 10.923 -0.932 1.00 0.00 H new ATOM 0 HG SER A 71 2.601 12.369 1.197 1.00 0.00 H new ATOM 1144 N LEU A 72 5.637 14.029 -2.128 1.00 0.00 N ATOM 1145 CA LEU A 72 6.291 15.318 -2.110 1.00 0.00 C ATOM 1146 C LEU A 72 5.259 16.412 -2.294 1.00 0.00 C ATOM 1147 O LEU A 72 4.416 16.378 -3.182 1.00 0.00 O ATOM 1148 CB LEU A 72 7.357 15.366 -3.217 1.00 0.00 C ATOM 1149 CG LEU A 72 8.101 14.050 -3.404 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.628 13.488 -2.072 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.288 13.063 -4.265 1.00 0.00 C ATOM 0 H LEU A 72 5.344 13.731 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 72 6.785 15.473 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.880 15.641 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.077 16.151 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 72 9.006 14.240 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.151 12.549 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.315 14.204 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.792 13.311 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.847 12.134 -4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.335 12.856 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.107 13.500 -5.247 1.00 0.00 H new ATOM 1163 N ASP A 73 5.421 17.382 -1.383 1.00 0.00 N ATOM 1164 CA ASP A 73 4.553 18.555 -1.362 1.00 0.00 C ATOM 1165 C ASP A 73 4.622 19.366 -2.671 1.00 0.00 C ATOM 1166 O ASP A 73 3.678 20.050 -3.042 1.00 0.00 O ATOM 1167 CB ASP A 73 4.924 19.481 -0.191 1.00 0.00 C ATOM 1168 CG ASP A 73 6.406 19.908 -0.199 1.00 0.00 C ATOM 1169 OD1 ASP A 73 7.259 19.098 0.162 1.00 0.00 O ATOM 1170 OD2 ASP A 73 6.688 21.046 -0.572 1.00 0.00 O ATOM 0 H ASP A 73 6.140 17.373 -0.659 1.00 0.00 H new ATOM 0 HA ASP A 73 3.536 18.181 -1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.296 20.371 -0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.704 18.974 0.748 1.00 0.00 H new ATOM 1175 N ASN A 74 5.794 19.229 -3.331 1.00 0.00 N ATOM 1176 CA ASN A 74 6.053 19.950 -4.570 1.00 0.00 C ATOM 1177 C ASN A 74 6.385 19.025 -5.762 1.00 0.00 C ATOM 1178 O ASN A 74 6.778 19.499 -6.821 1.00 0.00 O ATOM 1179 CB ASN A 74 7.200 20.939 -4.313 1.00 0.00 C ATOM 1180 CG ASN A 74 8.543 20.261 -3.983 1.00 0.00 C ATOM 1181 OD1 ASN A 74 9.363 20.005 -4.855 1.00 0.00 O ATOM 1182 ND2 ASN A 74 8.727 20.004 -2.680 1.00 0.00 N ATOM 0 H ASN A 74 6.559 18.630 -3.021 1.00 0.00 H new ATOM 0 HA ASN A 74 5.141 20.474 -4.857 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.328 21.569 -5.193 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.923 21.596 -3.489 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.593 19.569 -2.363 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.001 20.244 -2.005 1.00 0.00 H new ATOM 1189 N GLY A 75 6.213 17.703 -5.543 1.00 0.00 N ATOM 1190 CA GLY A 75 6.543 16.767 -6.623 1.00 0.00 C ATOM 1191 C GLY A 75 5.695 15.498 -6.711 1.00 0.00 C ATOM 1192 O GLY A 75 6.084 14.540 -7.353 1.00 0.00 O ATOM 0 H GLY A 75 5.868 17.284 -4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.461 17.298 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.587 16.473 -6.512 1.00 0.00 H new ATOM 1196 N GLY A 76 4.533 15.515 -6.052 1.00 0.00 N ATOM 1197 CA GLY A 76 3.627 14.378 -6.121 1.00 0.00 C ATOM 1198 C GLY A 76 4.122 13.088 -5.482 1.00 0.00 C ATOM 1199 O GLY A 76 3.893 12.846 -4.306 1.00 0.00 O ATOM 0 H GLY A 76 4.206 16.291 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.688 14.658 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.406 14.179 -7.170 1.00 0.00 H new ATOM 1203 N TYR A 77 4.790 12.269 -6.342 1.00 0.00 N ATOM 1204 CA TYR A 77 5.309 10.979 -5.911 1.00 0.00 C ATOM 1205 C TYR A 77 6.559 10.618 -6.701 1.00 0.00 C ATOM 1206 O TYR A 77 6.692 10.890 -7.886 1.00 0.00 O ATOM 1207 CB TYR A 77 4.312 9.811 -6.082 1.00 0.00 C ATOM 1208 CG TYR A 77 3.041 10.037 -5.326 1.00 0.00 C ATOM 1209 CD1 TYR A 77 2.017 10.759 -5.904 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.881 9.542 -4.044 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.835 11.010 -5.223 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.715 9.785 -3.335 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.677 10.524 -3.919 1.00 0.00 C ATOM 1214 OH TYR A 77 -0.486 10.790 -3.209 1.00 0.00 O ATOM 0 H TYR A 77 4.970 12.492 -7.321 1.00 0.00 H new ATOM 0 HA TYR A 77 5.516 11.102 -4.848 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.085 9.681 -7.140 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.777 8.886 -5.740 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.138 11.137 -6.908 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.671 8.961 -3.592 1.00 0.00 H new ATOM 0 HE1 TYR A 77 0.044 11.575 -5.694 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.606 9.404 -2.330 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.429 10.377 -2.322 1.00 0.00 H new ATOM 1224 N TYR A 78 7.456 9.957 -5.935 1.00 0.00 N ATOM 1225 CA TYR A 78 8.716 9.469 -6.504 1.00 0.00 C ATOM 1226 C TYR A 78 8.991 8.033 -6.003 1.00 0.00 C ATOM 1227 O TYR A 78 8.866 7.746 -4.820 1.00 0.00 O ATOM 1228 CB TYR A 78 9.909 10.429 -6.228 1.00 0.00 C ATOM 1229 CG TYR A 78 10.598 10.279 -4.887 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.444 9.203 -4.644 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.403 11.201 -3.866 1.00 0.00 C ATOM 1232 CE1 TYR A 78 12.036 9.000 -3.412 1.00 0.00 C ATOM 1233 CE2 TYR A 78 11.000 11.022 -2.623 1.00 0.00 C ATOM 1234 CZ TYR A 78 11.814 9.908 -2.377 1.00 0.00 C ATOM 1235 OH TYR A 78 12.360 9.666 -1.120 1.00 0.00 O ATOM 0 H TYR A 78 7.329 9.756 -4.943 1.00 0.00 H new ATOM 0 HA TYR A 78 8.612 9.444 -7.589 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.652 10.284 -7.012 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.550 11.454 -6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.645 8.504 -5.443 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.781 12.066 -4.040 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.669 8.140 -3.251 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.835 11.748 -1.840 1.00 0.00 H new ATOM 0 HH TYR A 78 12.114 10.393 -0.511 1.00 0.00 H new ATOM 1245 N ILE A 79 9.367 7.169 -6.976 1.00 0.00 N ATOM 1246 CA ILE A 79 9.749 5.759 -6.734 1.00 0.00 C ATOM 1247 C ILE A 79 11.277 5.595 -6.889 1.00 0.00 C ATOM 1248 O ILE A 79 11.870 4.569 -6.578 1.00 0.00 O ATOM 1249 CB ILE A 79 8.866 4.718 -7.462 1.00 0.00 C ATOM 1250 CG1 ILE A 79 8.295 5.279 -8.777 1.00 0.00 C ATOM 1251 CG2 ILE A 79 7.820 4.101 -6.526 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.273 4.356 -9.435 1.00 0.00 C ATOM 0 H ILE A 79 9.414 7.435 -7.960 1.00 0.00 H new ATOM 0 HA ILE A 79 9.522 5.514 -5.696 1.00 0.00 H new ATOM 0 HB ILE A 79 9.500 3.883 -7.760 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.828 6.244 -8.580 1.00 0.00 H new ATOM 0 HG13 ILE A 79 9.114 5.458 -9.474 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.221 3.376 -7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.322 3.602 -5.697 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.171 4.886 -6.137 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.911 4.812 -10.357 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.741 3.399 -9.663 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.436 4.197 -8.756 1.00 0.00 H new ATOM 1264 N SER A 80 11.850 6.706 -7.377 1.00 0.00 N ATOM 1265 CA SER A 80 13.258 6.968 -7.590 1.00 0.00 C ATOM 1266 C SER A 80 13.242 8.503 -7.647 1.00 0.00 C ATOM 1267 O SER A 80 12.473 9.060 -8.418 1.00 0.00 O ATOM 1268 CB SER A 80 13.753 6.282 -8.890 1.00 0.00 C ATOM 1269 OG SER A 80 13.135 5.011 -9.340 1.00 0.00 O ATOM 0 H SER A 80 11.279 7.505 -7.652 1.00 0.00 H new ATOM 0 HA SER A 80 13.944 6.579 -6.837 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.639 7.002 -9.700 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.821 6.100 -8.774 1.00 0.00 H new ATOM 0 HG SER A 80 13.561 4.717 -10.172 1.00 0.00 H new ATOM 1275 N PRO A 81 14.062 9.200 -6.822 1.00 0.00 N ATOM 1276 CA PRO A 81 13.994 10.659 -6.789 1.00 0.00 C ATOM 1277 C PRO A 81 14.252 11.397 -8.113 1.00 0.00 C ATOM 1278 O PRO A 81 13.866 12.551 -8.261 1.00 0.00 O ATOM 1279 CB PRO A 81 14.978 11.059 -5.686 1.00 0.00 C ATOM 1280 CG PRO A 81 15.340 9.774 -4.947 1.00 0.00 C ATOM 1281 CD PRO A 81 15.049 8.641 -5.910 1.00 0.00 C ATOM 0 HA PRO A 81 12.967 10.968 -6.593 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.867 11.527 -6.109 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.528 11.784 -5.008 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.390 9.776 -4.653 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.753 9.670 -4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 81 15.948 8.326 -6.439 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.661 7.765 -5.390 1.00 0.00 H new ATOM 1289 N ARG A 82 14.873 10.671 -9.073 1.00 0.00 N ATOM 1290 CA ARG A 82 15.135 11.267 -10.382 1.00 0.00 C ATOM 1291 C ARG A 82 13.856 11.275 -11.253 1.00 0.00 C ATOM 1292 O ARG A 82 13.641 12.171 -12.057 1.00 0.00 O ATOM 1293 CB ARG A 82 16.350 10.636 -11.087 1.00 0.00 C ATOM 1294 CG ARG A 82 16.124 9.253 -11.709 1.00 0.00 C ATOM 1295 CD ARG A 82 16.140 8.114 -10.697 1.00 0.00 C ATOM 1296 NE ARG A 82 15.759 6.860 -11.351 1.00 0.00 N ATOM 1297 CZ ARG A 82 16.595 6.123 -12.110 1.00 0.00 C ATOM 1298 NH1 ARG A 82 17.869 6.463 -12.251 1.00 0.00 N ATOM 1299 NH2 ARG A 82 16.135 5.042 -12.726 1.00 0.00 N ATOM 0 H ARG A 82 15.188 9.707 -8.963 1.00 0.00 H new ATOM 0 HA ARG A 82 15.413 12.309 -10.221 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.683 11.315 -11.872 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.164 10.559 -10.366 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.166 9.251 -12.229 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.894 9.072 -12.459 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.134 8.019 -10.260 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.452 8.332 -9.880 1.00 0.00 H new ATOM 0 HE ARG A 82 14.804 6.524 -11.225 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.230 7.293 -11.781 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.488 5.894 -12.829 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.156 4.774 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.760 4.479 -13.302 1.00 0.00 H new ATOM 1313 N ILE A 83 13.035 10.221 -11.037 1.00 0.00 N ATOM 1314 CA ILE A 83 11.761 10.055 -11.736 1.00 0.00 C ATOM 1315 C ILE A 83 10.603 10.232 -10.740 1.00 0.00 C ATOM 1316 O ILE A 83 10.230 9.366 -9.950 1.00 0.00 O ATOM 1317 CB ILE A 83 11.642 8.741 -12.484 1.00 0.00 C ATOM 1318 CG1 ILE A 83 12.139 7.582 -11.640 1.00 0.00 C ATOM 1319 CG2 ILE A 83 12.314 8.753 -13.864 1.00 0.00 C ATOM 1320 CD1 ILE A 83 11.313 6.373 -11.978 1.00 0.00 C ATOM 0 H ILE A 83 13.244 9.473 -10.376 1.00 0.00 H new ATOM 0 HA ILE A 83 11.713 10.828 -12.503 1.00 0.00 H new ATOM 0 HB ILE A 83 10.578 8.602 -12.674 1.00 0.00 H new ATOM 0 HG12 ILE A 83 13.194 7.391 -11.839 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.052 7.818 -10.579 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.188 7.780 -14.339 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.855 9.522 -14.485 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.377 8.965 -13.749 1.00 0.00 H new ATOM 0 HD11 ILE A 83 11.651 5.524 -11.384 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.265 6.576 -11.759 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.424 6.141 -13.037 1.00 0.00 H new ATOM 1332 N THR A 84 10.081 11.450 -10.907 1.00 0.00 N ATOM 1333 CA THR A 84 8.991 11.976 -10.121 1.00 0.00 C ATOM 1334 C THR A 84 7.787 12.209 -11.056 1.00 0.00 C ATOM 1335 O THR A 84 7.922 12.325 -12.268 1.00 0.00 O ATOM 1336 CB THR A 84 9.551 13.294 -9.519 1.00 0.00 C ATOM 1337 OG1 THR A 84 10.988 13.429 -9.242 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.750 13.625 -8.259 1.00 0.00 C ATOM 0 H THR A 84 10.421 12.104 -11.612 1.00 0.00 H new ATOM 0 HA THR A 84 8.643 11.316 -9.327 1.00 0.00 H new ATOM 0 HB THR A 84 9.428 14.002 -10.338 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.167 14.317 -8.869 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.128 14.548 -7.820 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.699 13.750 -8.519 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.852 12.813 -7.539 1.00 0.00 H new ATOM 1346 N PHE A 85 6.614 12.260 -10.396 1.00 0.00 N ATOM 1347 CA PHE A 85 5.332 12.407 -11.095 1.00 0.00 C ATOM 1348 C PHE A 85 4.409 13.227 -10.173 1.00 0.00 C ATOM 1349 O PHE A 85 4.480 13.058 -8.971 1.00 0.00 O ATOM 1350 CB PHE A 85 4.762 10.993 -11.358 1.00 0.00 C ATOM 1351 CG PHE A 85 5.773 10.041 -11.967 1.00 0.00 C ATOM 1352 CD1 PHE A 85 6.586 9.255 -11.147 1.00 0.00 C ATOM 1353 CD2 PHE A 85 5.908 9.918 -13.347 1.00 0.00 C ATOM 1354 CE1 PHE A 85 7.510 8.371 -11.688 1.00 0.00 C ATOM 1355 CE2 PHE A 85 6.836 9.034 -13.892 1.00 0.00 C ATOM 1356 CZ PHE A 85 7.638 8.260 -13.064 1.00 0.00 C ATOM 0 H PHE A 85 6.532 12.201 -9.381 1.00 0.00 H new ATOM 0 HA PHE A 85 5.431 12.917 -12.053 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.400 10.575 -10.419 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.903 11.074 -12.024 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.494 9.336 -10.074 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.288 10.513 -14.001 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.128 7.770 -11.037 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.932 8.950 -14.964 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.357 7.576 -13.489 1.00 0.00 H new ATOM 1366 N PRO A 86 3.524 14.104 -10.729 1.00 0.00 N ATOM 1367 CA PRO A 86 2.653 14.957 -9.897 1.00 0.00 C ATOM 1368 C PRO A 86 1.594 14.209 -9.057 1.00 0.00 C ATOM 1369 O PRO A 86 1.018 14.767 -8.131 1.00 0.00 O ATOM 1370 CB PRO A 86 1.970 15.874 -10.928 1.00 0.00 C ATOM 1371 CG PRO A 86 2.033 15.097 -12.248 1.00 0.00 C ATOM 1372 CD PRO A 86 3.328 14.292 -12.164 1.00 0.00 C ATOM 0 HA PRO A 86 3.245 15.470 -9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.940 16.089 -10.645 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.485 16.831 -11.008 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.168 14.444 -12.365 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.041 15.771 -13.104 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.242 13.338 -12.685 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.163 14.828 -12.616 1.00 0.00 H new ATOM 1380 N THR A 87 1.392 12.927 -9.411 1.00 0.00 N ATOM 1381 CA THR A 87 0.437 12.080 -8.706 1.00 0.00 C ATOM 1382 C THR A 87 0.709 10.653 -9.154 1.00 0.00 C ATOM 1383 O THR A 87 1.404 10.435 -10.142 1.00 0.00 O ATOM 1384 CB THR A 87 -1.055 12.374 -9.040 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.081 11.457 -8.537 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.231 12.711 -10.534 1.00 0.00 C ATOM 0 H THR A 87 1.879 12.465 -10.179 1.00 0.00 H new ATOM 0 HA THR A 87 0.571 12.262 -7.640 1.00 0.00 H new ATOM 0 HB THR A 87 -1.267 13.254 -8.433 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.966 11.768 -8.822 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.282 12.912 -10.740 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.638 13.592 -10.781 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.897 11.868 -11.139 1.00 0.00 H new ATOM 1394 N LEU A 88 0.112 9.682 -8.410 1.00 0.00 N ATOM 1395 CA LEU A 88 0.303 8.317 -8.857 1.00 0.00 C ATOM 1396 C LEU A 88 -0.307 8.169 -10.264 1.00 0.00 C ATOM 1397 O LEU A 88 0.261 7.457 -11.063 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.430 7.231 -8.030 1.00 0.00 C ATOM 1399 CG LEU A 88 0.260 6.593 -6.841 1.00 0.00 C ATOM 1400 CD1 LEU A 88 1.576 5.947 -7.157 1.00 0.00 C ATOM 1401 CD2 LEU A 88 0.463 7.436 -5.642 1.00 0.00 C ATOM 0 H LEU A 88 -0.454 9.818 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 88 1.379 8.161 -8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.360 7.671 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.702 6.429 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.490 5.842 -6.593 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.998 5.517 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.427 5.160 -7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.261 6.694 -7.557 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.967 6.855 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.075 8.299 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.503 7.776 -5.268 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.437 8.861 -10.572 1.00 0.00 N ATOM 1414 CA GLN A 89 -2.050 8.577 -11.889 1.00 0.00 C ATOM 1415 C GLN A 89 -1.148 8.869 -13.101 1.00 0.00 C ATOM 1416 O GLN A 89 -1.216 8.175 -14.102 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.504 9.066 -11.994 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.705 10.538 -12.230 1.00 0.00 C ATOM 1419 CD GLN A 89 -3.499 11.019 -13.673 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -2.347 11.673 -13.864 1.00 0.00 O flip ATOM 1421 NE2 GLN A 89 -4.337 10.824 -14.542 1.00 0.00 N flip ATOM 0 H GLN A 89 -1.903 9.555 -9.987 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.135 7.492 -11.941 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.989 8.522 -12.805 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.022 8.795 -11.074 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -4.716 10.801 -11.920 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.021 11.087 -11.583 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.193 10.316 -14.320 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.180 11.170 -15.489 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.281 9.884 -12.937 1.00 0.00 N ATOM 1431 CA ALA A 90 0.651 10.287 -14.000 1.00 0.00 C ATOM 1432 C ALA A 90 1.865 9.330 -14.100 1.00 0.00 C ATOM 1433 O ALA A 90 2.684 9.395 -15.009 1.00 0.00 O ATOM 1434 CB ALA A 90 1.140 11.709 -13.698 1.00 0.00 C ATOM 0 H ALA A 90 -0.208 10.436 -12.083 1.00 0.00 H new ATOM 0 HA ALA A 90 0.128 10.248 -14.955 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.834 12.028 -14.476 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.288 12.389 -13.671 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.646 11.722 -12.733 1.00 0.00 H new ATOM 1440 N LEU A 91 1.909 8.450 -13.095 1.00 0.00 N ATOM 1441 CA LEU A 91 2.892 7.404 -12.912 1.00 0.00 C ATOM 1442 C LEU A 91 2.267 6.072 -13.397 1.00 0.00 C ATOM 1443 O LEU A 91 2.936 5.243 -13.996 1.00 0.00 O ATOM 1444 CB LEU A 91 3.313 7.517 -11.432 1.00 0.00 C ATOM 1445 CG LEU A 91 3.760 6.263 -10.683 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.558 6.650 -9.427 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.535 5.453 -10.275 1.00 0.00 C ATOM 0 H LEU A 91 1.213 8.458 -12.349 1.00 0.00 H new ATOM 0 HA LEU A 91 3.807 7.476 -13.499 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.128 8.239 -11.378 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.473 7.943 -10.884 1.00 0.00 H new ATOM 0 HG LEU A 91 4.396 5.667 -11.338 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.871 5.747 -8.902 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.438 7.224 -9.717 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.932 7.253 -8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.852 4.558 -9.740 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.899 6.056 -9.627 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.976 5.165 -11.165 1.00 0.00 H new ATOM 1459 N VAL A 92 0.942 5.928 -13.153 1.00 0.00 N ATOM 1460 CA VAL A 92 0.190 4.751 -13.548 1.00 0.00 C ATOM 1461 C VAL A 92 -0.191 4.842 -15.051 1.00 0.00 C ATOM 1462 O VAL A 92 -0.640 3.873 -15.641 1.00 0.00 O ATOM 1463 CB VAL A 92 -1.061 4.586 -12.637 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.503 3.147 -12.554 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.874 4.975 -11.165 1.00 0.00 C ATOM 0 H VAL A 92 0.381 6.634 -12.676 1.00 0.00 H new ATOM 0 HA VAL A 92 0.808 3.862 -13.420 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.773 5.255 -13.120 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.379 3.072 -11.909 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.754 2.786 -13.551 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.696 2.542 -12.141 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.809 4.820 -10.626 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.093 4.358 -10.722 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.588 6.025 -11.100 1.00 0.00 H new ATOM 1475 N GLN A 93 0.034 6.058 -15.616 1.00 0.00 N ATOM 1476 CA GLN A 93 -0.230 6.387 -17.013 1.00 0.00 C ATOM 1477 C GLN A 93 1.034 5.995 -17.794 1.00 0.00 C ATOM 1478 O GLN A 93 1.006 5.325 -18.819 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.593 7.886 -17.226 1.00 0.00 C ATOM 1480 CG GLN A 93 0.574 8.849 -17.508 1.00 0.00 C ATOM 1481 CD GLN A 93 0.129 10.310 -17.588 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -1.043 10.635 -17.714 1.00 0.00 O ATOM 1483 NE2 GLN A 93 1.156 11.164 -17.496 1.00 0.00 N ATOM 0 H GLN A 93 0.413 6.844 -15.087 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.104 5.840 -17.367 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.295 7.951 -18.057 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.117 8.238 -16.338 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.323 8.744 -16.723 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.053 8.568 -18.446 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.107 10.809 -17.392 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.988 12.169 -17.530 1.00 0.00 H new ATOM 1492 N HIS A 94 2.144 6.462 -17.171 1.00 0.00 N ATOM 1493 CA HIS A 94 3.508 6.287 -17.634 1.00 0.00 C ATOM 1494 C HIS A 94 3.790 4.800 -17.869 1.00 0.00 C ATOM 1495 O HIS A 94 4.157 4.380 -18.960 1.00 0.00 O ATOM 1496 CB HIS A 94 4.425 6.904 -16.559 1.00 0.00 C ATOM 1497 CG HIS A 94 5.870 6.990 -16.991 1.00 0.00 C ATOM 1498 ND1 HIS A 94 6.884 6.371 -16.349 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.407 7.732 -18.056 1.00 0.00 C ATOM 1500 CE1 HIS A 94 8.006 6.726 -16.999 1.00 0.00 C ATOM 1501 NE2 HIS A 94 7.746 7.545 -18.035 1.00 0.00 N ATOM 0 H HIS A 94 2.092 6.989 -16.299 1.00 0.00 H new ATOM 0 HA HIS A 94 3.686 6.784 -18.587 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.065 7.903 -16.313 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.359 6.309 -15.648 1.00 0.00 H new ATOM 0 HD1 HIS A 94 6.813 5.759 -15.536 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.855 8.338 -18.759 1.00 0.00 H new ATOM 0 HE1 HIS A 94 8.996 6.394 -16.723 1.00 0.00 H new ATOM 1509 N TYR A 95 3.547 4.036 -16.783 1.00 0.00 N ATOM 1510 CA TYR A 95 3.791 2.605 -16.859 1.00 0.00 C ATOM 1511 C TYR A 95 2.729 1.851 -17.641 1.00 0.00 C ATOM 1512 O TYR A 95 2.960 0.700 -17.977 1.00 0.00 O ATOM 1513 CB TYR A 95 4.069 2.002 -15.485 1.00 0.00 C ATOM 1514 CG TYR A 95 5.273 2.676 -14.891 1.00 0.00 C ATOM 1515 CD1 TYR A 95 6.501 2.663 -15.547 1.00 0.00 C ATOM 1516 CD2 TYR A 95 5.162 3.344 -13.684 1.00 0.00 C ATOM 1517 CE1 TYR A 95 7.604 3.314 -15.017 1.00 0.00 C ATOM 1518 CE2 TYR A 95 6.247 3.998 -13.134 1.00 0.00 C ATOM 1519 CZ TYR A 95 7.489 3.960 -13.780 1.00 0.00 C ATOM 1520 OH TYR A 95 8.607 4.529 -13.194 1.00 0.00 O ATOM 0 H TYR A 95 3.198 4.378 -15.888 1.00 0.00 H new ATOM 0 HA TYR A 95 4.703 2.481 -17.442 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.205 2.133 -14.834 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.242 0.929 -15.572 1.00 0.00 H new ATOM 0 HD1 TYR A 95 6.596 2.136 -16.485 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.215 3.354 -13.165 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.542 3.323 -15.552 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.138 4.539 -12.206 1.00 0.00 H new ATOM 0 HH TYR A 95 8.356 4.938 -12.340 1.00 0.00 H new ATOM 1530 N SER A 96 1.576 2.501 -17.946 1.00 0.00 N ATOM 1531 CA SER A 96 0.631 1.734 -18.780 1.00 0.00 C ATOM 1532 C SER A 96 1.244 1.446 -20.178 1.00 0.00 C ATOM 1533 O SER A 96 0.848 0.505 -20.852 1.00 0.00 O ATOM 1534 CB SER A 96 -0.719 2.494 -18.978 1.00 0.00 C ATOM 1535 OG SER A 96 -1.620 2.805 -17.843 1.00 0.00 O ATOM 0 H SER A 96 1.302 3.442 -17.665 1.00 0.00 H new ATOM 0 HA SER A 96 0.437 0.799 -18.255 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.478 3.443 -19.457 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.303 1.915 -19.693 1.00 0.00 H new ATOM 0 HG SER A 96 -1.089 2.931 -17.029 1.00 0.00 H new ATOM 1541 N LYS A 97 2.235 2.293 -20.556 1.00 0.00 N ATOM 1542 CA LYS A 97 2.896 2.120 -21.851 1.00 0.00 C ATOM 1543 C LYS A 97 4.064 1.106 -21.822 1.00 0.00 C ATOM 1544 O LYS A 97 4.224 0.330 -22.756 1.00 0.00 O ATOM 1545 CB LYS A 97 3.425 3.470 -22.372 1.00 0.00 C ATOM 1546 CG LYS A 97 2.332 4.422 -22.887 1.00 0.00 C ATOM 1547 CD LYS A 97 1.372 4.878 -21.787 1.00 0.00 C ATOM 1548 CE LYS A 97 0.485 6.056 -22.185 1.00 0.00 C ATOM 1549 NZ LYS A 97 -0.425 6.414 -21.099 1.00 0.00 N ATOM 0 H LYS A 97 2.577 3.074 -19.996 1.00 0.00 H new ATOM 0 HA LYS A 97 2.132 1.720 -22.518 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.974 3.965 -21.571 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.136 3.282 -23.177 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.802 5.296 -23.337 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.765 3.924 -23.674 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.737 4.039 -21.502 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.951 5.154 -20.905 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.106 6.914 -22.442 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.088 5.800 -23.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.526 7.448 -21.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.355 5.982 -21.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.042 6.067 -20.196 1.00 0.00 H new ATOM 1563 N LYS A 98 4.875 1.151 -20.736 1.00 0.00 N ATOM 1564 CA LYS A 98 6.029 0.241 -20.671 1.00 0.00 C ATOM 1565 C LYS A 98 6.559 0.088 -19.226 1.00 0.00 C ATOM 1566 O LYS A 98 6.011 0.618 -18.271 1.00 0.00 O ATOM 1567 CB LYS A 98 7.097 0.592 -21.717 1.00 0.00 C ATOM 1568 CG LYS A 98 8.026 1.704 -21.285 1.00 0.00 C ATOM 1569 CD LYS A 98 7.335 3.057 -21.077 1.00 0.00 C ATOM 1570 CE LYS A 98 6.944 3.362 -19.623 1.00 0.00 C ATOM 1571 NZ LYS A 98 6.871 4.793 -19.377 1.00 0.00 N ATOM 0 H LYS A 98 4.757 1.774 -19.937 1.00 0.00 H new ATOM 0 HA LYS A 98 5.691 -0.757 -20.950 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.687 -0.299 -21.935 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.603 0.882 -22.645 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.516 1.412 -20.356 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.809 1.820 -22.035 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.997 3.846 -21.434 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.438 3.090 -21.695 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.980 2.905 -19.401 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.673 2.913 -18.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.177 4.981 -18.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.805 5.142 -19.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.579 5.281 -20.248 1.00 0.00 H new ATOM 1585 N GLY A 99 7.649 -0.710 -19.137 1.00 0.00 N ATOM 1586 CA GLY A 99 8.336 -1.001 -17.878 1.00 0.00 C ATOM 1587 C GLY A 99 9.716 -0.326 -17.860 1.00 0.00 C ATOM 1588 O GLY A 99 10.748 -0.950 -17.656 1.00 0.00 O ATOM 0 H GLY A 99 8.070 -1.167 -19.946 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.738 -0.646 -17.038 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.448 -2.078 -17.757 1.00 0.00 H new ATOM 1592 N ASP A 100 9.630 1.005 -18.064 1.00 0.00 N ATOM 1593 CA ASP A 100 10.767 1.943 -18.140 1.00 0.00 C ATOM 1594 C ASP A 100 11.562 2.134 -16.820 1.00 0.00 C ATOM 1595 O ASP A 100 12.459 2.962 -16.724 1.00 0.00 O ATOM 1596 CB ASP A 100 10.246 3.302 -18.655 1.00 0.00 C ATOM 1597 CG ASP A 100 11.353 4.267 -19.106 1.00 0.00 C ATOM 1598 OD1 ASP A 100 12.028 3.964 -20.089 1.00 0.00 O ATOM 1599 OD2 ASP A 100 11.519 5.311 -18.476 1.00 0.00 O ATOM 0 H ASP A 100 8.732 1.473 -18.185 1.00 0.00 H new ATOM 0 HA ASP A 100 11.487 1.498 -18.827 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.569 3.126 -19.491 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.663 3.778 -17.867 1.00 0.00 H new ATOM 1604 N GLY A 101 11.196 1.329 -15.821 1.00 0.00 N ATOM 1605 CA GLY A 101 11.876 1.417 -14.534 1.00 0.00 C ATOM 1606 C GLY A 101 11.360 0.387 -13.530 1.00 0.00 C ATOM 1607 O GLY A 101 12.050 0.000 -12.597 1.00 0.00 O ATOM 0 H GLY A 101 10.455 0.630 -15.876 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.946 1.272 -14.681 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.743 2.418 -14.124 1.00 0.00 H new ATOM 1611 N LEU A 102 10.106 -0.028 -13.792 1.00 0.00 N ATOM 1612 CA LEU A 102 9.422 -1.007 -12.964 1.00 0.00 C ATOM 1613 C LEU A 102 9.979 -2.420 -13.206 1.00 0.00 C ATOM 1614 O LEU A 102 10.994 -2.804 -12.640 1.00 0.00 O ATOM 1615 CB LEU A 102 7.917 -0.858 -13.251 1.00 0.00 C ATOM 1616 CG LEU A 102 7.272 0.372 -12.595 1.00 0.00 C ATOM 1617 CD1 LEU A 102 5.769 0.172 -12.516 1.00 0.00 C ATOM 1618 CD2 LEU A 102 7.781 0.699 -11.181 1.00 0.00 C ATOM 0 H LEU A 102 9.553 0.310 -14.580 1.00 0.00 H new ATOM 0 HA LEU A 102 9.591 -0.834 -11.901 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.768 -0.802 -14.329 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.402 -1.754 -12.904 1.00 0.00 H new ATOM 0 HG LEU A 102 7.551 1.212 -13.230 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.310 1.044 -12.051 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.366 0.042 -13.520 1.00 0.00 H new ATOM 0 HD13 LEU A 102 5.551 -0.714 -11.920 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.266 1.583 -10.804 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.585 -0.145 -10.520 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.853 0.891 -11.216 1.00 0.00 H new ATOM 1630 N CYS A 103 9.253 -3.169 -14.057 1.00 0.00 N ATOM 1631 CA CYS A 103 9.643 -4.545 -14.363 1.00 0.00 C ATOM 1632 C CYS A 103 8.751 -5.105 -15.479 1.00 0.00 C ATOM 1633 O CYS A 103 9.199 -5.743 -16.424 1.00 0.00 O ATOM 1634 CB CYS A 103 9.486 -5.435 -13.114 1.00 0.00 C ATOM 1635 SG CYS A 103 7.886 -5.219 -12.286 1.00 0.00 S ATOM 0 H CYS A 103 8.411 -2.847 -14.533 1.00 0.00 H new ATOM 0 HA CYS A 103 10.685 -4.543 -14.683 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.602 -6.480 -13.402 1.00 0.00 H new ATOM 0 HB3 CYS A 103 10.287 -5.208 -12.410 1.00 0.00 H new ATOM 0 HG CYS A 103 8.078 -4.770 -11.081 1.00 0.00 H new ATOM 1641 N GLN A 104 7.453 -4.813 -15.278 1.00 0.00 N ATOM 1642 CA GLN A 104 6.388 -5.235 -16.151 1.00 0.00 C ATOM 1643 C GLN A 104 5.319 -4.159 -16.026 1.00 0.00 C ATOM 1644 O GLN A 104 4.682 -3.968 -14.998 1.00 0.00 O ATOM 1645 CB GLN A 104 5.811 -6.596 -15.706 1.00 0.00 C ATOM 1646 CG GLN A 104 6.750 -7.792 -15.935 1.00 0.00 C ATOM 1647 CD GLN A 104 7.020 -8.040 -17.429 1.00 0.00 C ATOM 1648 OE1 GLN A 104 6.253 -7.662 -18.306 1.00 0.00 O ATOM 1649 NE2 GLN A 104 8.163 -8.705 -17.650 1.00 0.00 N ATOM 0 H GLN A 104 7.128 -4.264 -14.482 1.00 0.00 H new ATOM 0 HA GLN A 104 6.741 -5.359 -17.175 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.564 -6.542 -14.646 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.879 -6.774 -16.242 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.695 -7.614 -15.421 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.311 -8.687 -15.493 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.749 -8.986 -16.864 1.00 0.00 H new ATOM 0 HE22 GLN A 104 8.446 -8.930 -18.604 1.00 0.00 H new ATOM 1658 N LYS A 105 5.191 -3.482 -17.180 1.00 0.00 N ATOM 1659 CA LYS A 105 4.246 -2.412 -17.421 1.00 0.00 C ATOM 1660 C LYS A 105 2.859 -2.901 -17.032 1.00 0.00 C ATOM 1661 O LYS A 105 2.582 -4.092 -16.964 1.00 0.00 O ATOM 1662 CB LYS A 105 4.297 -2.025 -18.905 1.00 0.00 C ATOM 1663 CG LYS A 105 3.343 -2.766 -19.860 1.00 0.00 C ATOM 1664 CD LYS A 105 3.876 -2.874 -21.288 1.00 0.00 C ATOM 1665 CE LYS A 105 5.186 -3.657 -21.325 1.00 0.00 C ATOM 1666 NZ LYS A 105 5.549 -4.063 -22.681 1.00 0.00 N ATOM 0 H LYS A 105 5.772 -3.684 -17.994 1.00 0.00 H new ATOM 0 HA LYS A 105 4.492 -1.532 -16.827 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.091 -0.958 -18.983 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.316 -2.179 -19.259 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.159 -3.768 -19.472 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.384 -2.249 -19.876 1.00 0.00 H new ATOM 0 HD2 LYS A 105 3.136 -3.366 -21.920 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.033 -1.876 -21.698 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.985 -3.046 -20.905 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.096 -4.542 -20.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.444 -4.591 -22.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.800 -4.668 -23.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.661 -3.219 -23.278 1.00 0.00 H new ATOM 1680 N LEU A 106 2.012 -1.902 -16.817 1.00 0.00 N ATOM 1681 CA LEU A 106 0.668 -2.237 -16.383 1.00 0.00 C ATOM 1682 C LEU A 106 -0.106 -2.899 -17.530 1.00 0.00 C ATOM 1683 O LEU A 106 0.151 -2.636 -18.697 1.00 0.00 O ATOM 1684 CB LEU A 106 -0.090 -0.991 -15.906 1.00 0.00 C ATOM 1685 CG LEU A 106 0.744 0.027 -15.105 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -0.125 0.804 -14.111 1.00 0.00 C ATOM 1687 CD2 LEU A 106 1.834 -0.615 -14.267 1.00 0.00 C ATOM 0 H LEU A 106 2.216 -0.909 -16.928 1.00 0.00 H new ATOM 0 HA LEU A 106 0.751 -2.931 -15.547 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.509 -0.486 -16.777 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.930 -1.312 -15.289 1.00 0.00 H new ATOM 0 HG LEU A 106 1.181 0.672 -15.867 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.495 1.513 -13.563 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.902 1.344 -14.652 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.587 0.108 -13.410 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.383 0.158 -13.729 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.385 -1.305 -13.552 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.519 -1.160 -14.917 1.00 0.00 H new ATOM 1699 N THR A 107 -1.040 -3.776 -17.130 1.00 0.00 N ATOM 1700 CA THR A 107 -1.842 -4.479 -18.126 1.00 0.00 C ATOM 1701 C THR A 107 -3.311 -4.321 -17.793 1.00 0.00 C ATOM 1702 O THR A 107 -4.072 -3.682 -18.507 1.00 0.00 O ATOM 1703 CB THR A 107 -1.428 -5.977 -18.216 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.762 -6.933 -17.147 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.086 -6.044 -18.560 1.00 0.00 C ATOM 0 H THR A 107 -1.249 -4.006 -16.158 1.00 0.00 H new ATOM 0 HA THR A 107 -1.662 -4.042 -19.108 1.00 0.00 H new ATOM 0 HB THR A 107 -2.094 -6.350 -18.994 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.941 -7.350 -16.813 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.398 -7.086 -18.628 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.265 -5.549 -19.514 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.659 -5.544 -17.779 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.646 -4.947 -16.650 1.00 0.00 N ATOM 1714 CA LEU A 108 -5.033 -4.883 -16.201 1.00 0.00 C ATOM 1715 C LEU A 108 -5.049 -4.741 -14.674 1.00 0.00 C ATOM 1716 O LEU A 108 -4.724 -5.686 -13.974 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.790 -6.161 -16.560 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.664 -6.624 -18.018 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.922 -8.125 -18.137 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.594 -5.806 -18.921 1.00 0.00 C ATOM 0 H LEU A 108 -3.008 -5.474 -16.053 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.512 -4.034 -16.689 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.438 -6.964 -15.912 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.846 -6.010 -16.336 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.642 -6.449 -18.355 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.827 -8.429 -19.179 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.195 -8.668 -17.533 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.928 -8.350 -17.784 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.493 -6.147 -19.951 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.626 -5.938 -18.595 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.326 -4.751 -18.859 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.451 -3.554 -14.160 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.490 -3.328 -12.722 1.00 0.00 C ATOM 1734 C PRO A 109 -6.683 -4.098 -12.122 1.00 0.00 C ATOM 1735 O PRO A 109 -7.831 -3.674 -12.130 1.00 0.00 O ATOM 1736 CB PRO A 109 -5.625 -1.810 -12.596 1.00 0.00 C ATOM 1737 CG PRO A 109 -6.280 -1.358 -13.905 1.00 0.00 C ATOM 1738 CD PRO A 109 -5.949 -2.443 -14.943 1.00 0.00 C ATOM 0 HA PRO A 109 -4.613 -3.683 -12.180 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -6.236 -1.539 -11.735 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.652 -1.338 -12.458 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.358 -1.250 -13.785 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -5.895 -0.388 -14.219 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -6.832 -2.726 -15.517 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -5.203 -2.095 -15.657 1.00 0.00 H new ATOM 1746 N CYS A 110 -6.219 -5.260 -11.622 1.00 0.00 N ATOM 1747 CA CYS A 110 -6.812 -6.411 -10.943 1.00 0.00 C ATOM 1748 C CYS A 110 -8.349 -6.584 -11.057 1.00 0.00 C ATOM 1749 O CYS A 110 -9.039 -5.983 -11.869 1.00 0.00 O ATOM 1750 CB CYS A 110 -6.258 -6.477 -9.504 1.00 0.00 C ATOM 1751 SG CYS A 110 -4.966 -5.257 -9.204 1.00 0.00 S ATOM 0 H CYS A 110 -5.218 -5.432 -11.711 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.495 -7.296 -11.495 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -7.073 -6.320 -8.797 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -5.861 -7.475 -9.316 1.00 0.00 H new ATOM 0 HG CYS A 110 -5.336 -4.106 -9.683 1.00 0.00 H new ATOM 1757 N VAL A 111 -8.825 -7.489 -10.173 1.00 0.00 N ATOM 1758 CA VAL A 111 -10.239 -7.834 -10.071 1.00 0.00 C ATOM 1759 C VAL A 111 -10.418 -8.556 -8.722 1.00 0.00 C ATOM 1760 O VAL A 111 -9.509 -9.215 -8.236 1.00 0.00 O ATOM 1761 CB VAL A 111 -10.705 -8.683 -11.276 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -10.082 -10.086 -11.312 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -12.236 -8.781 -11.346 1.00 0.00 C ATOM 0 H VAL A 111 -8.231 -7.994 -9.516 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.867 -6.944 -10.101 1.00 0.00 H new ATOM 0 HB VAL A 111 -10.346 -8.152 -12.157 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.453 -10.626 -12.183 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -8.997 -10.001 -11.372 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.353 -10.628 -10.406 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.523 -9.386 -12.206 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.613 -9.245 -10.435 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -12.660 -7.782 -11.447 1.00 0.00 H new