USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 804 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 54 THR OG1 : rot 13:sc= -0.263! USER MOD Set 1.2: A 57 SER OG : rot 22:sc= 0.908 USER MOD Set 2.1: A 27 GLN : amide:sc= -6.93! C(o=-5.5!,f=-7!) USER MOD Set 2.2: A 101 LYS NZ :NH3+ -121:sc= 1.48 (180deg=-0.89) USER MOD Single : A 17 THR OG1 : rot 17:sc= 0.805 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.56) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -124:sc= -0.0967 (180deg=-1.89!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 42 HIS : no HD1:sc= 0.702 K(o=0.7,f=-3.3!) USER MOD Single : A 43 GLN : amide:sc= -0.0355 K(o=-0.035,f=-1.2) USER MOD Single : A 46 THR OG1 : rot -22:sc= 0.62 USER MOD Single : A 48 ASN : amide:sc= -2.96! C(o=-3!,f=-3.1!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0145 X(o=-0.015,f=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.773 F(o=-1.9!,f=-0.77) USER MOD Single : A 68 LYS NZ :NH3+ -142:sc= -2.56 (180deg=-6.94!) USER MOD Single : A 69 SER OG : rot 180:sc= 0.00804 USER MOD Single : A 70 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 71 SER OG : rot -40:sc= 1.04 USER MOD Single : A 72 MET CE :methyl -138:sc= -8.37! (180deg=-12.9!) USER MOD Single : A 75 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.021) USER MOD Single : A 76 ASN : amide:sc= -2.82! C(o=-2.8!,f=-3.5!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 9:sc= -0.458 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 137:sc= -1.21 (180deg=-3.38!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.125) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 0:sc= 0.421! USER MOD Single : A 99 CYS SG : rot -17:sc= -0.815 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc=-0.00237 X(o=-0.0024,f=-0.011) USER MOD Single : A 106 THR OG1 : rot -150:sc= -0.223 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N THR A 17 -8.442 -6.186 9.810 1.00 0.00 N ATOM 198 CA THR A 17 -8.097 -5.398 8.639 1.00 0.00 C ATOM 199 C THR A 17 -7.991 -6.296 7.405 1.00 0.00 C ATOM 200 O THR A 17 -7.591 -7.454 7.508 1.00 0.00 O ATOM 201 CB THR A 17 -6.808 -4.633 8.947 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.775 -4.567 10.370 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.877 -3.169 8.508 1.00 0.00 C ATOM 0 HA THR A 17 -8.876 -4.671 8.407 1.00 0.00 H new ATOM 0 HB THR A 17 -5.969 -5.122 8.451 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.399 -5.224 10.743 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.937 -2.672 8.750 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.048 -3.119 7.433 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.695 -2.671 9.029 1.00 0.00 H new ATOM 211 N VAL A 18 -8.356 -5.726 6.266 1.00 0.00 N ATOM 212 CA VAL A 18 -8.307 -6.460 5.013 1.00 0.00 C ATOM 213 C VAL A 18 -6.861 -6.518 4.517 1.00 0.00 C ATOM 214 O VAL A 18 -6.069 -5.619 4.795 1.00 0.00 O ATOM 215 CB VAL A 18 -9.262 -5.828 3.998 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.985 -6.348 2.586 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.720 -6.067 4.395 1.00 0.00 C ATOM 0 H VAL A 18 -8.687 -4.765 6.185 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.642 -7.487 5.159 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.087 -4.752 3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.678 -5.883 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.962 -6.103 2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.118 -7.430 2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.378 -5.608 3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.915 -7.139 4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.908 -5.625 5.374 1.00 0.00 H new ATOM 227 N LYS A 19 -6.560 -7.585 3.791 1.00 0.00 N ATOM 228 CA LYS A 19 -5.223 -7.772 3.254 1.00 0.00 C ATOM 229 C LYS A 19 -5.225 -7.428 1.763 1.00 0.00 C ATOM 230 O LYS A 19 -5.871 -8.106 0.966 1.00 0.00 O ATOM 231 CB LYS A 19 -4.715 -9.182 3.559 1.00 0.00 C ATOM 232 CG LYS A 19 -3.539 -9.142 4.537 1.00 0.00 C ATOM 233 CD LYS A 19 -2.921 -10.531 4.709 1.00 0.00 C ATOM 234 CE LYS A 19 -1.472 -10.551 4.219 1.00 0.00 C ATOM 235 NZ LYS A 19 -0.811 -11.817 4.607 1.00 0.00 N ATOM 0 H LYS A 19 -7.219 -8.329 3.562 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.520 -7.094 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.523 -9.780 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.407 -9.669 2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.783 -8.446 4.174 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.878 -8.769 5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.958 -10.822 5.759 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.506 -11.265 4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.447 -10.438 3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.928 -9.706 4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.172 -11.814 4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.818 -11.909 5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.321 -12.619 4.184 1.00 0.00 H new ATOM 249 N ILE A 20 -4.493 -6.375 1.430 1.00 0.00 N ATOM 250 CA ILE A 20 -4.401 -5.933 0.049 1.00 0.00 C ATOM 251 C ILE A 20 -3.497 -6.890 -0.730 1.00 0.00 C ATOM 252 O ILE A 20 -2.276 -6.744 -0.717 1.00 0.00 O ATOM 253 CB ILE A 20 -3.952 -4.472 -0.017 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.801 -3.594 0.906 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.959 -3.961 -1.459 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.407 -2.122 0.777 1.00 0.00 C ATOM 0 H ILE A 20 -3.958 -5.815 2.093 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.381 -5.963 -0.426 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.924 -4.415 0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.856 -3.715 0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.676 -3.919 1.939 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.636 -2.920 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.279 -4.563 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.967 -4.035 -1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.025 -1.520 1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.358 -2.001 1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.557 -1.794 -0.252 1.00 0.00 H new ATOM 268 N SER A 21 -4.132 -7.848 -1.389 1.00 0.00 N ATOM 269 CA SER A 21 -3.400 -8.829 -2.172 1.00 0.00 C ATOM 270 C SER A 21 -3.078 -8.261 -3.555 1.00 0.00 C ATOM 271 O SER A 21 -1.931 -8.306 -3.997 1.00 0.00 O ATOM 272 CB SER A 21 -4.193 -10.131 -2.304 1.00 0.00 C ATOM 273 OG SER A 21 -3.987 -10.998 -1.192 1.00 0.00 O ATOM 0 H SER A 21 -5.145 -7.966 -1.397 1.00 0.00 H new ATOM 0 HA SER A 21 -2.468 -9.054 -1.653 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.255 -9.901 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.900 -10.642 -3.221 1.00 0.00 H new ATOM 0 HG SER A 21 -4.512 -11.817 -1.314 1.00 0.00 H new ATOM 279 N ASN A 22 -4.111 -7.738 -4.200 1.00 0.00 N ATOM 280 CA ASN A 22 -3.952 -7.161 -5.524 1.00 0.00 C ATOM 281 C ASN A 22 -3.690 -5.660 -5.393 1.00 0.00 C ATOM 282 O ASN A 22 -4.513 -4.927 -4.846 1.00 0.00 O ATOM 283 CB ASN A 22 -5.219 -7.348 -6.362 1.00 0.00 C ATOM 284 CG ASN A 22 -4.916 -8.115 -7.650 1.00 0.00 C ATOM 285 OD1 ASN A 22 -3.860 -7.984 -8.247 1.00 0.00 O ATOM 286 ND2 ASN A 22 -5.898 -8.920 -8.045 1.00 0.00 N ATOM 0 H ASN A 22 -5.061 -7.702 -3.830 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.118 -7.664 -6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.967 -7.887 -5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.645 -6.375 -6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.792 -9.475 -8.894 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.757 -8.983 -7.499 1.00 0.00 H new ATOM 293 N TYR A 23 -2.540 -5.246 -5.905 1.00 0.00 N ATOM 294 CA TYR A 23 -2.158 -3.845 -5.852 1.00 0.00 C ATOM 295 C TYR A 23 -1.296 -3.465 -7.058 1.00 0.00 C ATOM 296 O TYR A 23 -0.370 -4.190 -7.416 1.00 0.00 O ATOM 297 CB TYR A 23 -1.329 -3.681 -4.576 1.00 0.00 C ATOM 298 CG TYR A 23 -0.117 -4.611 -4.499 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.025 -4.318 -5.217 1.00 0.00 C ATOM 300 CD2 TYR A 23 -0.164 -5.743 -3.710 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.166 -5.193 -5.144 1.00 0.00 C ATOM 302 CE2 TYR A 23 0.977 -6.618 -3.637 1.00 0.00 C ATOM 303 CZ TYR A 23 2.086 -6.300 -4.358 1.00 0.00 C ATOM 304 OH TYR A 23 3.164 -7.127 -4.289 1.00 0.00 O ATOM 0 H TYR A 23 -1.860 -5.856 -6.359 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.041 -3.206 -5.862 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.987 -2.648 -4.507 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.969 -3.863 -3.713 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.063 -3.432 -5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -1.057 -5.972 -3.147 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.065 -4.975 -5.701 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.953 -7.507 -3.024 1.00 0.00 H new ATOM 0 HH TYR A 23 2.964 -7.876 -3.689 1.00 0.00 H new ATOM 314 N GLY A 24 -1.633 -2.329 -7.651 1.00 0.00 N ATOM 315 CA GLY A 24 -0.902 -1.845 -8.809 1.00 0.00 C ATOM 316 C GLY A 24 0.318 -1.024 -8.384 1.00 0.00 C ATOM 317 O GLY A 24 0.219 -0.169 -7.505 1.00 0.00 O ATOM 0 H GLY A 24 -2.402 -1.730 -7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.582 -2.689 -9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.558 -1.234 -9.428 1.00 0.00 H new ATOM 321 N TRP A 25 1.439 -1.313 -9.027 1.00 0.00 N ATOM 322 CA TRP A 25 2.676 -0.612 -8.727 1.00 0.00 C ATOM 323 C TRP A 25 3.369 -0.287 -10.051 1.00 0.00 C ATOM 324 O TRP A 25 3.189 -0.995 -11.041 1.00 0.00 O ATOM 325 CB TRP A 25 3.554 -1.432 -7.779 1.00 0.00 C ATOM 326 CG TRP A 25 4.275 -2.601 -8.453 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.778 -3.803 -8.774 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.654 -2.630 -8.879 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.731 -4.601 -9.373 1.00 0.00 N ATOM 330 CE2 TRP A 25 5.908 -3.865 -9.438 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.653 -1.645 -8.793 1.00 0.00 C ATOM 332 CZ2 TRP A 25 7.156 -4.230 -9.956 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.896 -2.025 -9.315 1.00 0.00 C ATOM 334 CH2 TRP A 25 8.167 -3.265 -9.882 1.00 0.00 C ATOM 0 H TRP A 25 1.517 -2.023 -9.755 1.00 0.00 H new ATOM 0 HA TRP A 25 2.473 0.322 -8.202 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.295 -0.774 -7.326 1.00 0.00 H new ATOM 0 HB3 TRP A 25 2.935 -1.819 -6.970 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.759 -4.109 -8.587 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.596 -5.555 -9.707 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.476 -0.672 -8.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.329 -5.204 -10.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.700 -1.305 -9.274 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.154 -3.483 -10.264 1.00 0.00 H new ATOM 345 N ASP A 26 4.146 0.786 -10.028 1.00 0.00 N ATOM 346 CA ASP A 26 4.867 1.214 -11.215 1.00 0.00 C ATOM 347 C ASP A 26 5.921 2.251 -10.820 1.00 0.00 C ATOM 348 O ASP A 26 5.633 3.176 -10.062 1.00 0.00 O ATOM 349 CB ASP A 26 3.922 1.863 -12.229 1.00 0.00 C ATOM 350 CG ASP A 26 2.468 1.393 -12.150 1.00 0.00 C ATOM 351 OD1 ASP A 26 1.872 1.572 -11.066 1.00 0.00 O ATOM 352 OD2 ASP A 26 1.986 0.866 -13.176 1.00 0.00 O ATOM 0 H ASP A 26 4.292 1.372 -9.206 1.00 0.00 H new ATOM 0 HA ASP A 26 5.330 0.335 -11.664 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.947 2.943 -12.087 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.298 1.665 -13.233 1.00 0.00 H new ATOM 357 N GLN A 27 7.119 2.061 -11.351 1.00 0.00 N ATOM 358 CA GLN A 27 8.218 2.968 -11.064 1.00 0.00 C ATOM 359 C GLN A 27 9.011 3.261 -12.339 1.00 0.00 C ATOM 360 O GLN A 27 8.869 2.559 -13.338 1.00 0.00 O ATOM 361 CB GLN A 27 9.126 2.401 -9.971 1.00 0.00 C ATOM 362 CG GLN A 27 9.558 0.972 -10.304 1.00 0.00 C ATOM 363 CD GLN A 27 10.384 0.935 -11.591 1.00 0.00 C ATOM 364 OE1 GLN A 27 11.139 1.842 -11.901 1.00 0.00 O ATOM 365 NE2 GLN A 27 10.201 -0.162 -12.320 1.00 0.00 N ATOM 0 H GLN A 27 7.354 1.292 -11.979 1.00 0.00 H new ATOM 0 HA GLN A 27 7.803 3.906 -10.695 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.006 3.034 -9.860 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.602 2.413 -9.015 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.143 0.564 -9.480 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.678 0.338 -10.414 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.554 -0.883 -12.002 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.708 -0.282 -13.197 1.00 0.00 H new ATOM 374 N SER A 28 9.830 4.300 -12.262 1.00 0.00 N ATOM 375 CA SER A 28 10.647 4.695 -13.397 1.00 0.00 C ATOM 376 C SER A 28 12.035 5.123 -12.919 1.00 0.00 C ATOM 377 O SER A 28 12.266 5.268 -11.720 1.00 0.00 O ATOM 378 CB SER A 28 9.984 5.826 -14.185 1.00 0.00 C ATOM 379 OG SER A 28 9.532 5.392 -15.465 1.00 0.00 O ATOM 0 H SER A 28 9.945 4.880 -11.431 1.00 0.00 H new ATOM 0 HA SER A 28 10.748 3.837 -14.061 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.141 6.218 -13.616 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.693 6.645 -14.309 1.00 0.00 H new ATOM 0 HG SER A 28 9.113 6.143 -15.936 1.00 0.00 H new ATOM 385 N ASP A 29 12.925 5.315 -13.883 1.00 0.00 N ATOM 386 CA ASP A 29 14.285 5.724 -13.575 1.00 0.00 C ATOM 387 C ASP A 29 14.261 7.105 -12.917 1.00 0.00 C ATOM 388 O ASP A 29 14.474 8.117 -13.583 1.00 0.00 O ATOM 389 CB ASP A 29 15.132 5.820 -14.846 1.00 0.00 C ATOM 390 CG ASP A 29 15.110 4.574 -15.733 1.00 0.00 C ATOM 391 OD1 ASP A 29 14.348 3.645 -15.389 1.00 0.00 O ATOM 392 OD2 ASP A 29 15.857 4.578 -16.735 1.00 0.00 O ATOM 0 H ASP A 29 12.730 5.195 -14.877 1.00 0.00 H new ATOM 0 HA ASP A 29 14.719 4.979 -12.908 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.785 6.671 -15.432 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.164 6.027 -14.562 1.00 0.00 H new ATOM 397 N LYS A 30 13.999 7.102 -11.618 1.00 0.00 N ATOM 398 CA LYS A 30 13.944 8.342 -10.863 1.00 0.00 C ATOM 399 C LYS A 30 13.409 8.056 -9.459 1.00 0.00 C ATOM 400 O LYS A 30 14.103 8.283 -8.468 1.00 0.00 O ATOM 401 CB LYS A 30 13.139 9.398 -11.624 1.00 0.00 C ATOM 402 CG LYS A 30 14.059 10.469 -12.214 1.00 0.00 C ATOM 403 CD LYS A 30 13.379 11.197 -13.375 1.00 0.00 C ATOM 404 CE LYS A 30 14.082 10.894 -14.700 1.00 0.00 C ATOM 405 NZ LYS A 30 14.705 12.120 -15.248 1.00 0.00 N ATOM 0 H LYS A 30 13.823 6.260 -11.069 1.00 0.00 H new ATOM 0 HA LYS A 30 14.944 8.760 -10.745 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.571 8.921 -12.423 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.417 9.863 -10.953 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.331 11.186 -11.440 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.984 10.008 -12.561 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.334 10.894 -13.436 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.389 12.271 -13.191 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.843 10.129 -14.548 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.365 10.492 -15.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.178 11.897 -16.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.971 12.839 -15.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 15.404 12.487 -14.571 1.00 0.00 H new ATOM 419 N PHE A 31 12.181 7.561 -9.417 1.00 0.00 N ATOM 420 CA PHE A 31 11.545 7.241 -8.150 1.00 0.00 C ATOM 421 C PHE A 31 10.582 6.062 -8.302 1.00 0.00 C ATOM 422 O PHE A 31 10.292 5.633 -9.418 1.00 0.00 O ATOM 423 CB PHE A 31 10.754 8.479 -7.722 1.00 0.00 C ATOM 424 CG PHE A 31 11.591 9.758 -7.650 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.610 9.855 -6.754 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.315 10.798 -8.482 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.386 11.042 -6.687 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.092 11.985 -8.415 1.00 0.00 C ATOM 429 CZ PHE A 31 13.111 12.082 -7.519 1.00 0.00 C ATOM 0 H PHE A 31 11.609 7.373 -10.240 1.00 0.00 H new ATOM 0 HA PHE A 31 12.300 6.966 -7.414 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.933 8.633 -8.422 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.309 8.293 -6.745 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.829 9.029 -6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.506 10.721 -9.193 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.195 11.119 -5.975 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.874 12.811 -9.076 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.702 12.985 -7.468 1.00 0.00 H new ATOM 439 N VAL A 32 10.113 5.572 -7.164 1.00 0.00 N ATOM 440 CA VAL A 32 9.189 4.451 -7.157 1.00 0.00 C ATOM 441 C VAL A 32 7.856 4.899 -6.554 1.00 0.00 C ATOM 442 O VAL A 32 7.833 5.632 -5.566 1.00 0.00 O ATOM 443 CB VAL A 32 9.811 3.264 -6.418 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.748 2.227 -6.053 1.00 0.00 C ATOM 445 CG2 VAL A 32 10.934 2.632 -7.243 1.00 0.00 C ATOM 0 H VAL A 32 10.356 5.931 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 32 8.989 4.114 -8.174 1.00 0.00 H new ATOM 0 HB VAL A 32 10.246 3.637 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.217 1.394 -5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.998 2.686 -5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.270 1.861 -6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.359 1.791 -6.695 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.533 2.280 -8.194 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.711 3.374 -7.429 1.00 0.00 H new ATOM 455 N LYS A 33 6.779 4.439 -7.173 1.00 0.00 N ATOM 456 CA LYS A 33 5.445 4.783 -6.709 1.00 0.00 C ATOM 457 C LYS A 33 4.507 3.596 -6.942 1.00 0.00 C ATOM 458 O LYS A 33 4.684 2.839 -7.894 1.00 0.00 O ATOM 459 CB LYS A 33 4.969 6.081 -7.363 1.00 0.00 C ATOM 460 CG LYS A 33 3.459 6.260 -7.191 1.00 0.00 C ATOM 461 CD LYS A 33 3.093 7.740 -7.061 1.00 0.00 C ATOM 462 CE LYS A 33 2.618 8.307 -8.400 1.00 0.00 C ATOM 463 NZ LYS A 33 2.478 9.778 -8.320 1.00 0.00 N ATOM 0 H LYS A 33 6.802 3.831 -7.992 1.00 0.00 H new ATOM 0 HA LYS A 33 5.453 4.978 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.492 6.929 -6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.219 6.071 -8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.938 5.827 -8.045 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.124 5.720 -6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.310 7.860 -6.313 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.958 8.303 -6.710 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.328 8.046 -9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.662 7.859 -8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.510 10.050 -8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.670 10.093 -7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.155 10.227 -8.969 1.00 0.00 H new ATOM 477 N ILE A 34 3.531 3.472 -6.055 1.00 0.00 N ATOM 478 CA ILE A 34 2.565 2.391 -6.151 1.00 0.00 C ATOM 479 C ILE A 34 1.152 2.977 -6.180 1.00 0.00 C ATOM 480 O ILE A 34 0.920 4.074 -5.675 1.00 0.00 O ATOM 481 CB ILE A 34 2.786 1.373 -5.031 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.155 0.702 -5.162 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.649 0.351 -4.986 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.133 1.242 -4.117 1.00 0.00 C ATOM 0 H ILE A 34 3.388 4.103 -5.266 1.00 0.00 H new ATOM 0 HA ILE A 34 2.701 1.840 -7.082 1.00 0.00 H new ATOM 0 HB ILE A 34 2.778 1.905 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.048 -0.376 -5.042 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.554 0.874 -6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.831 -0.361 -4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.704 0.865 -4.809 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.600 -0.181 -5.936 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.098 0.748 -4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.256 2.316 -4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.743 1.047 -3.118 1.00 0.00 H new ATOM 496 N TYR A 35 0.244 2.218 -6.776 1.00 0.00 N ATOM 497 CA TYR A 35 -1.141 2.648 -6.878 1.00 0.00 C ATOM 498 C TYR A 35 -2.097 1.500 -6.550 1.00 0.00 C ATOM 499 O TYR A 35 -2.244 0.566 -7.337 1.00 0.00 O ATOM 500 CB TYR A 35 -1.347 3.068 -8.334 1.00 0.00 C ATOM 501 CG TYR A 35 -0.137 3.767 -8.958 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.033 3.065 -9.168 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.215 5.099 -9.310 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.172 3.722 -9.755 1.00 0.00 C ATOM 505 CE2 TYR A 35 0.924 5.756 -9.897 1.00 0.00 C ATOM 506 CZ TYR A 35 2.061 5.036 -10.090 1.00 0.00 C ATOM 507 OH TYR A 35 3.137 5.657 -10.644 1.00 0.00 O ATOM 0 H TYR A 35 0.440 1.308 -7.193 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.344 3.458 -6.177 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.588 2.185 -8.925 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.208 3.734 -8.391 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.094 2.023 -8.892 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.130 5.649 -9.145 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.093 3.184 -9.925 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.876 6.798 -10.178 1.00 0.00 H new ATOM 0 HH TYR A 35 2.913 6.592 -10.833 1.00 0.00 H new ATOM 517 N ILE A 36 -2.722 1.606 -5.387 1.00 0.00 N ATOM 518 CA ILE A 36 -3.660 0.588 -4.945 1.00 0.00 C ATOM 519 C ILE A 36 -5.085 1.139 -5.038 1.00 0.00 C ATOM 520 O ILE A 36 -5.303 2.337 -4.869 1.00 0.00 O ATOM 521 CB ILE A 36 -3.286 0.084 -3.550 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.900 -0.564 -3.555 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.358 -0.861 -3.003 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.882 0.313 -2.824 1.00 0.00 C ATOM 0 H ILE A 36 -2.597 2.382 -4.737 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.611 -0.284 -5.597 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.239 0.941 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.951 -1.543 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.574 -0.726 -4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.068 -1.205 -2.010 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.310 -0.334 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.461 -1.718 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.095 -0.171 -2.842 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.816 1.283 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.198 0.453 -1.790 1.00 0.00 H new ATOM 536 N THR A 37 -6.017 0.236 -5.308 1.00 0.00 N ATOM 537 CA THR A 37 -7.414 0.617 -5.426 1.00 0.00 C ATOM 538 C THR A 37 -8.124 0.462 -4.079 1.00 0.00 C ATOM 539 O THR A 37 -8.290 -0.652 -3.585 1.00 0.00 O ATOM 540 CB THR A 37 -8.040 -0.222 -6.542 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.580 0.397 -7.740 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.561 -0.071 -6.605 1.00 0.00 C ATOM 0 H THR A 37 -5.832 -0.757 -5.448 1.00 0.00 H new ATOM 0 HA THR A 37 -7.516 1.669 -5.694 1.00 0.00 H new ATOM 0 HB THR A 37 -7.785 -1.271 -6.394 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.937 -0.085 -8.515 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.955 -0.687 -7.414 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.998 -0.391 -5.659 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.816 0.973 -6.787 1.00 0.00 H new ATOM 550 N LEU A 38 -8.524 1.597 -3.524 1.00 0.00 N ATOM 551 CA LEU A 38 -9.213 1.602 -2.244 1.00 0.00 C ATOM 552 C LEU A 38 -10.251 2.726 -2.233 1.00 0.00 C ATOM 553 O LEU A 38 -9.911 3.887 -2.008 1.00 0.00 O ATOM 554 CB LEU A 38 -8.206 1.683 -1.095 1.00 0.00 C ATOM 555 CG LEU A 38 -8.458 0.741 0.085 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.957 0.526 0.304 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.710 -0.581 -0.099 1.00 0.00 C ATOM 0 H LEU A 38 -8.384 2.519 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.754 0.667 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.213 1.477 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.193 2.707 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.065 1.210 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.109 -0.147 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.435 1.483 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.397 0.089 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.906 -1.232 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.050 -1.068 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.640 -0.387 -0.168 1.00 0.00 H new ATOM 569 N THR A 39 -11.495 2.342 -2.477 1.00 0.00 N ATOM 570 CA THR A 39 -12.584 3.303 -2.498 1.00 0.00 C ATOM 571 C THR A 39 -12.955 3.719 -1.073 1.00 0.00 C ATOM 572 O THR A 39 -13.477 2.914 -0.303 1.00 0.00 O ATOM 573 CB THR A 39 -13.749 2.681 -3.272 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.579 3.164 -4.602 1.00 0.00 O ATOM 575 CG2 THR A 39 -15.105 3.243 -2.841 1.00 0.00 C ATOM 0 H THR A 39 -11.773 1.378 -2.662 1.00 0.00 H new ATOM 0 HA THR A 39 -12.291 4.222 -3.006 1.00 0.00 H new ATOM 0 HB THR A 39 -13.743 1.600 -3.130 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.291 2.808 -5.173 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.897 2.768 -3.421 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.262 3.043 -1.781 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.124 4.319 -3.014 1.00 0.00 H new ATOM 583 N GLY A 40 -12.672 4.976 -0.765 1.00 0.00 N ATOM 584 CA GLY A 40 -12.969 5.509 0.554 1.00 0.00 C ATOM 585 C GLY A 40 -11.699 6.019 1.238 1.00 0.00 C ATOM 586 O GLY A 40 -11.764 6.881 2.112 1.00 0.00 O ATOM 0 H GLY A 40 -12.240 5.641 -1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.691 6.321 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.431 4.735 1.167 1.00 0.00 H new ATOM 590 N VAL A 41 -10.573 5.464 0.814 1.00 0.00 N ATOM 591 CA VAL A 41 -9.290 5.852 1.375 1.00 0.00 C ATOM 592 C VAL A 41 -9.106 7.363 1.218 1.00 0.00 C ATOM 593 O VAL A 41 -8.356 7.982 1.972 1.00 0.00 O ATOM 594 CB VAL A 41 -8.167 5.042 0.723 1.00 0.00 C ATOM 595 CG1 VAL A 41 -8.009 5.413 -0.752 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.850 5.224 1.479 1.00 0.00 C ATOM 0 H VAL A 41 -10.523 4.749 0.089 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.256 5.629 2.441 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.440 3.988 0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.205 4.823 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.940 5.208 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.770 6.473 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.069 4.638 0.995 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.570 6.277 1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.972 4.887 2.508 1.00 0.00 H new ATOM 606 N HIS A 42 -9.802 7.913 0.235 1.00 0.00 N ATOM 607 CA HIS A 42 -9.725 9.339 -0.031 1.00 0.00 C ATOM 608 C HIS A 42 -10.762 10.076 0.819 1.00 0.00 C ATOM 609 O HIS A 42 -10.917 11.291 0.701 1.00 0.00 O ATOM 610 CB HIS A 42 -9.874 9.623 -1.527 1.00 0.00 C ATOM 611 CG HIS A 42 -11.291 9.505 -2.035 1.00 0.00 C ATOM 612 ND1 HIS A 42 -11.910 8.287 -2.256 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.203 10.465 -2.363 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.138 8.515 -2.697 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.318 9.866 -2.763 1.00 0.00 N ATOM 0 H HIS A 42 -10.423 7.396 -0.388 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.741 9.712 0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.507 10.628 -1.734 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.241 8.932 -2.083 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.045 11.532 -2.307 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -13.868 7.764 -2.958 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.169 10.338 -3.069 1.00 0.00 H new ATOM 623 N GLN A 43 -11.445 9.311 1.657 1.00 0.00 N ATOM 624 CA GLN A 43 -12.463 9.876 2.526 1.00 0.00 C ATOM 625 C GLN A 43 -12.035 9.760 3.991 1.00 0.00 C ATOM 626 O GLN A 43 -12.526 10.495 4.845 1.00 0.00 O ATOM 627 CB GLN A 43 -13.817 9.201 2.296 1.00 0.00 C ATOM 628 CG GLN A 43 -14.318 9.450 0.872 1.00 0.00 C ATOM 629 CD GLN A 43 -15.847 9.405 0.814 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.516 8.972 1.737 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.358 9.876 -0.320 1.00 0.00 N ATOM 0 H GLN A 43 -11.313 8.304 1.753 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.574 10.933 2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.728 8.129 2.472 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.544 9.582 3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -13.965 10.421 0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -13.903 8.699 0.200 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.739 10.224 -1.053 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.369 9.890 -0.457 1.00 0.00 H new ATOM 640 N VAL A 44 -11.123 8.830 4.235 1.00 0.00 N ATOM 641 CA VAL A 44 -10.622 8.608 5.581 1.00 0.00 C ATOM 642 C VAL A 44 -9.517 9.622 5.884 1.00 0.00 C ATOM 643 O VAL A 44 -8.847 10.105 4.972 1.00 0.00 O ATOM 644 CB VAL A 44 -10.162 7.157 5.736 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.302 6.185 5.427 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.944 6.872 4.856 1.00 0.00 C ATOM 0 H VAL A 44 -10.718 8.222 3.523 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.414 8.763 6.313 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.867 7.007 6.775 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.949 5.161 5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.129 6.365 6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.641 6.336 4.402 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.637 5.834 4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.201 7.048 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.125 7.531 5.144 1.00 0.00 H new ATOM 656 N PRO A 45 -9.356 9.921 7.200 1.00 0.00 N ATOM 657 CA PRO A 45 -8.343 10.869 7.634 1.00 0.00 C ATOM 658 C PRO A 45 -6.947 10.246 7.570 1.00 0.00 C ATOM 659 O PRO A 45 -6.809 9.042 7.364 1.00 0.00 O ATOM 660 CB PRO A 45 -8.752 11.264 9.044 1.00 0.00 C ATOM 661 CG PRO A 45 -9.709 10.183 9.519 1.00 0.00 C ATOM 662 CD PRO A 45 -10.131 9.368 8.307 1.00 0.00 C ATOM 0 HA PRO A 45 -8.284 11.746 6.990 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.883 11.331 9.698 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.233 12.242 9.052 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.227 9.545 10.259 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.579 10.629 10.001 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.918 8.308 8.449 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.202 9.456 8.124 1.00 0.00 H new ATOM 670 N THR A 46 -5.946 11.096 7.749 1.00 0.00 N ATOM 671 CA THR A 46 -4.566 10.645 7.714 1.00 0.00 C ATOM 672 C THR A 46 -4.222 9.879 8.993 1.00 0.00 C ATOM 673 O THR A 46 -3.117 9.356 9.129 1.00 0.00 O ATOM 674 CB THR A 46 -3.675 11.866 7.478 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.357 11.328 7.420 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.640 12.807 8.685 1.00 0.00 C ATOM 0 H THR A 46 -6.064 12.095 7.919 1.00 0.00 H new ATOM 0 HA THR A 46 -4.401 9.942 6.898 1.00 0.00 H new ATOM 0 HB THR A 46 -4.030 12.410 6.603 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.335 10.465 7.883 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.994 13.657 8.465 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.648 13.163 8.898 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.253 12.272 9.552 1.00 0.00 H new ATOM 684 N GLU A 47 -5.189 9.839 9.898 1.00 0.00 N ATOM 685 CA GLU A 47 -5.002 9.146 11.161 1.00 0.00 C ATOM 686 C GLU A 47 -5.302 7.655 10.999 1.00 0.00 C ATOM 687 O GLU A 47 -4.798 6.830 11.760 1.00 0.00 O ATOM 688 CB GLU A 47 -5.872 9.763 12.258 1.00 0.00 C ATOM 689 CG GLU A 47 -7.355 9.479 12.008 1.00 0.00 C ATOM 690 CD GLU A 47 -8.112 9.311 13.327 1.00 0.00 C ATOM 691 OE1 GLU A 47 -8.156 10.303 14.086 1.00 0.00 O ATOM 692 OE2 GLU A 47 -8.628 8.194 13.546 1.00 0.00 O ATOM 0 H GLU A 47 -6.104 10.275 9.782 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.960 9.256 11.462 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.580 9.361 13.228 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.706 10.840 12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.794 10.296 11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.460 8.576 11.407 1.00 0.00 H new ATOM 699 N ASN A 48 -6.120 7.354 10.001 1.00 0.00 N ATOM 700 CA ASN A 48 -6.493 5.976 9.728 1.00 0.00 C ATOM 701 C ASN A 48 -5.497 5.369 8.737 1.00 0.00 C ATOM 702 O ASN A 48 -5.466 4.154 8.549 1.00 0.00 O ATOM 703 CB ASN A 48 -7.888 5.895 9.106 1.00 0.00 C ATOM 704 CG ASN A 48 -8.971 5.883 10.187 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.723 5.597 11.347 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.181 6.210 9.744 1.00 0.00 N ATOM 0 H ASN A 48 -6.535 8.041 9.371 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.488 5.432 10.673 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.043 6.744 8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.967 4.994 8.497 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.971 6.232 10.389 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.319 6.439 8.760 1.00 0.00 H new ATOM 713 N VAL A 49 -4.709 6.244 8.130 1.00 0.00 N ATOM 714 CA VAL A 49 -3.715 5.810 7.163 1.00 0.00 C ATOM 715 C VAL A 49 -2.322 5.914 7.788 1.00 0.00 C ATOM 716 O VAL A 49 -1.759 7.003 7.882 1.00 0.00 O ATOM 717 CB VAL A 49 -3.852 6.620 5.872 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.987 6.027 4.758 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.316 6.714 5.438 1.00 0.00 C ATOM 0 H VAL A 49 -4.739 7.251 8.289 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.874 4.766 6.895 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.495 7.631 6.071 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.103 6.622 3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.941 6.035 5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.300 5.001 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.386 7.295 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.709 5.712 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.897 7.202 6.220 1.00 0.00 H new ATOM 729 N GLN A 50 -1.806 4.765 8.199 1.00 0.00 N ATOM 730 CA GLN A 50 -0.490 4.712 8.813 1.00 0.00 C ATOM 731 C GLN A 50 0.480 3.932 7.923 1.00 0.00 C ATOM 732 O GLN A 50 0.343 2.720 7.764 1.00 0.00 O ATOM 733 CB GLN A 50 -0.562 4.101 10.214 1.00 0.00 C ATOM 734 CG GLN A 50 -0.796 5.181 11.272 1.00 0.00 C ATOM 735 CD GLN A 50 -0.725 4.591 12.682 1.00 0.00 C ATOM 736 OE1 GLN A 50 -0.199 3.514 12.906 1.00 0.00 O ATOM 737 NE2 GLN A 50 -1.284 5.355 13.616 1.00 0.00 N ATOM 0 H GLN A 50 -2.276 3.863 8.119 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.118 5.731 8.916 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.367 3.367 10.254 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.364 3.569 10.431 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.049 5.968 11.165 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.771 5.643 11.116 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.707 6.247 13.359 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.289 5.049 14.589 1.00 0.00 H new ATOM 746 N VAL A 51 1.438 4.659 7.367 1.00 0.00 N ATOM 747 CA VAL A 51 2.430 4.050 6.497 1.00 0.00 C ATOM 748 C VAL A 51 3.828 4.474 6.951 1.00 0.00 C ATOM 749 O VAL A 51 4.072 5.652 7.204 1.00 0.00 O ATOM 750 CB VAL A 51 2.140 4.411 5.039 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.547 5.818 4.930 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.399 4.278 4.180 1.00 0.00 C ATOM 0 H VAL A 51 1.548 5.664 7.502 1.00 0.00 H new ATOM 0 HA VAL A 51 2.381 2.963 6.564 1.00 0.00 H new ATOM 0 HB VAL A 51 1.400 3.706 4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.350 6.050 3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.615 5.865 5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.253 6.543 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.165 4.540 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.170 4.948 4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.760 3.250 4.220 1.00 0.00 H new ATOM 762 N HIS A 52 4.710 3.489 7.040 1.00 0.00 N ATOM 763 CA HIS A 52 6.078 3.745 7.459 1.00 0.00 C ATOM 764 C HIS A 52 7.045 3.261 6.377 1.00 0.00 C ATOM 765 O HIS A 52 6.965 2.115 5.936 1.00 0.00 O ATOM 766 CB HIS A 52 6.354 3.115 8.826 1.00 0.00 C ATOM 767 CG HIS A 52 7.776 3.285 9.304 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.481 2.273 9.933 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.617 4.357 9.238 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.691 2.727 10.228 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.773 4.019 9.797 1.00 0.00 N ATOM 0 H HIS A 52 4.504 2.513 6.829 1.00 0.00 H new ATOM 0 HA HIS A 52 6.231 4.817 7.580 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.679 3.555 9.560 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.122 2.051 8.778 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.382 5.318 8.804 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.474 2.172 10.723 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.588 4.625 9.889 1.00 0.00 H new ATOM 779 N PHE A 53 7.937 4.157 5.982 1.00 0.00 N ATOM 780 CA PHE A 53 8.918 3.836 4.960 1.00 0.00 C ATOM 781 C PHE A 53 10.228 3.356 5.589 1.00 0.00 C ATOM 782 O PHE A 53 10.544 3.715 6.722 1.00 0.00 O ATOM 783 CB PHE A 53 9.185 5.122 4.175 1.00 0.00 C ATOM 784 CG PHE A 53 7.953 5.683 3.462 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.382 4.987 2.442 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.428 6.877 3.848 1.00 0.00 C ATOM 787 CE1 PHE A 53 6.239 5.508 1.780 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.284 7.397 3.186 1.00 0.00 C ATOM 789 CZ PHE A 53 5.714 6.701 2.166 1.00 0.00 C ATOM 0 H PHE A 53 8.001 5.106 6.352 1.00 0.00 H new ATOM 0 HA PHE A 53 8.540 3.039 4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.573 5.878 4.858 1.00 0.00 H new ATOM 0 HB3 PHE A 53 9.963 4.930 3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.798 4.038 2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.881 7.430 4.658 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.786 4.956 0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.867 8.345 3.493 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.844 7.096 1.663 1.00 0.00 H new ATOM 799 N THR A 54 10.954 2.552 4.826 1.00 0.00 N ATOM 800 CA THR A 54 12.222 2.019 5.295 1.00 0.00 C ATOM 801 C THR A 54 13.290 2.151 4.208 1.00 0.00 C ATOM 802 O THR A 54 13.089 2.851 3.217 1.00 0.00 O ATOM 803 CB THR A 54 11.990 0.576 5.747 1.00 0.00 C ATOM 804 OG1 THR A 54 11.306 -0.026 4.651 1.00 0.00 O ATOM 805 CG2 THR A 54 10.996 0.477 6.906 1.00 0.00 C ATOM 0 H THR A 54 10.688 2.257 3.886 1.00 0.00 H new ATOM 0 HA THR A 54 12.598 2.585 6.147 1.00 0.00 H new ATOM 0 HB THR A 54 12.940 0.133 6.045 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.363 0.561 3.868 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.868 -0.568 7.187 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.375 1.039 7.760 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.036 0.890 6.598 1.00 0.00 H new ATOM 813 N GLU A 55 14.403 1.468 4.431 1.00 0.00 N ATOM 814 CA GLU A 55 15.504 1.500 3.483 1.00 0.00 C ATOM 815 C GLU A 55 15.230 0.545 2.319 1.00 0.00 C ATOM 816 O GLU A 55 15.594 0.829 1.179 1.00 0.00 O ATOM 817 CB GLU A 55 16.829 1.163 4.169 1.00 0.00 C ATOM 818 CG GLU A 55 17.316 -0.231 3.767 1.00 0.00 C ATOM 819 CD GLU A 55 18.458 -0.696 4.673 1.00 0.00 C ATOM 820 OE1 GLU A 55 19.601 -0.265 4.410 1.00 0.00 O ATOM 821 OE2 GLU A 55 18.161 -1.471 5.607 1.00 0.00 O ATOM 0 H GLU A 55 14.566 0.889 5.255 1.00 0.00 H new ATOM 0 HA GLU A 55 15.586 2.512 3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.580 1.906 3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.705 1.211 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.490 -0.939 3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.652 -0.218 2.730 1.00 0.00 H new ATOM 828 N ARG A 56 14.592 -0.569 2.647 1.00 0.00 N ATOM 829 CA ARG A 56 14.265 -1.568 1.644 1.00 0.00 C ATOM 830 C ARG A 56 12.905 -2.200 1.946 1.00 0.00 C ATOM 831 O ARG A 56 12.805 -3.414 2.116 1.00 0.00 O ATOM 832 CB ARG A 56 15.330 -2.666 1.592 1.00 0.00 C ATOM 833 CG ARG A 56 16.668 -2.109 1.103 1.00 0.00 C ATOM 834 CD ARG A 56 16.896 -2.448 -0.372 1.00 0.00 C ATOM 835 NE ARG A 56 18.033 -3.385 -0.506 1.00 0.00 N ATOM 836 CZ ARG A 56 17.913 -4.720 -0.486 1.00 0.00 C ATOM 837 NH1 ARG A 56 16.706 -5.282 -0.338 1.00 0.00 N ATOM 838 NH2 ARG A 56 19.000 -5.492 -0.615 1.00 0.00 N ATOM 0 H ARG A 56 14.293 -0.802 3.594 1.00 0.00 H new ATOM 0 HA ARG A 56 14.229 -1.066 0.677 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.454 -3.104 2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.001 -3.466 0.929 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.687 -1.028 1.239 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.479 -2.520 1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.995 -2.893 -0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.096 -1.537 -0.936 1.00 0.00 H new ATOM 0 HE ARG A 56 18.967 -2.991 -0.621 1.00 0.00 H new ATOM 0 HH11 ARG A 56 15.878 -4.694 -0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.615 -6.298 -0.323 1.00 0.00 H new ATOM 0 HH21 ARG A 56 19.919 -5.064 -0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 56 18.909 -6.508 -0.600 1.00 0.00 H new ATOM 852 N SER A 57 11.892 -1.347 2.004 1.00 0.00 N ATOM 853 CA SER A 57 10.542 -1.807 2.284 1.00 0.00 C ATOM 854 C SER A 57 9.647 -0.617 2.635 1.00 0.00 C ATOM 855 O SER A 57 10.111 0.521 2.682 1.00 0.00 O ATOM 856 CB SER A 57 10.533 -2.832 3.420 1.00 0.00 C ATOM 857 OG SER A 57 11.440 -2.481 4.462 1.00 0.00 O ATOM 0 H SER A 57 11.979 -0.341 1.862 1.00 0.00 H new ATOM 0 HA SER A 57 10.154 -2.294 1.389 1.00 0.00 H new ATOM 0 HB2 SER A 57 9.525 -2.912 3.828 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.796 -3.813 3.025 1.00 0.00 H new ATOM 0 HG SER A 57 11.618 -1.518 4.430 1.00 0.00 H new ATOM 863 N PHE A 58 8.379 -0.922 2.871 1.00 0.00 N ATOM 864 CA PHE A 58 7.414 0.108 3.216 1.00 0.00 C ATOM 865 C PHE A 58 6.082 -0.510 3.644 1.00 0.00 C ATOM 866 O PHE A 58 5.524 -1.345 2.934 1.00 0.00 O ATOM 867 CB PHE A 58 7.190 0.951 1.959 1.00 0.00 C ATOM 868 CG PHE A 58 5.943 0.562 1.162 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.707 0.763 1.693 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.071 0.015 -0.077 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.550 0.402 0.954 1.00 0.00 C ATOM 872 CE2 PHE A 58 4.913 -0.346 -0.816 1.00 0.00 C ATOM 873 CZ PHE A 58 3.677 -0.145 -0.285 1.00 0.00 C ATOM 0 H PHE A 58 7.998 -1.867 2.830 1.00 0.00 H new ATOM 0 HA PHE A 58 7.790 0.706 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.112 2.000 2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.064 0.861 1.313 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.606 1.197 2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.052 -0.145 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.569 0.562 1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.014 -0.780 -1.800 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.797 -0.420 -0.847 1.00 0.00 H new ATOM 883 N ASP A 59 5.610 -0.076 4.804 1.00 0.00 N ATOM 884 CA ASP A 59 4.354 -0.576 5.336 1.00 0.00 C ATOM 885 C ASP A 59 3.279 0.503 5.192 1.00 0.00 C ATOM 886 O ASP A 59 3.557 1.688 5.366 1.00 0.00 O ATOM 887 CB ASP A 59 4.483 -0.921 6.821 1.00 0.00 C ATOM 888 CG ASP A 59 5.161 0.151 7.677 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.373 0.367 7.460 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.452 0.729 8.529 1.00 0.00 O ATOM 0 H ASP A 59 6.075 0.617 5.390 1.00 0.00 H new ATOM 0 HA ASP A 59 4.086 -1.474 4.780 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.487 -1.109 7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.046 -1.850 6.915 1.00 0.00 H new ATOM 895 N LEU A 60 2.073 0.053 4.878 1.00 0.00 N ATOM 896 CA LEU A 60 0.954 0.965 4.709 1.00 0.00 C ATOM 897 C LEU A 60 -0.301 0.346 5.327 1.00 0.00 C ATOM 898 O LEU A 60 -0.780 -0.688 4.863 1.00 0.00 O ATOM 899 CB LEU A 60 0.791 1.346 3.236 1.00 0.00 C ATOM 900 CG LEU A 60 -0.197 2.476 2.941 1.00 0.00 C ATOM 901 CD1 LEU A 60 -0.963 2.210 1.644 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.138 2.705 4.126 1.00 0.00 C ATOM 0 H LEU A 60 1.846 -0.931 4.736 1.00 0.00 H new ATOM 0 HA LEU A 60 1.141 1.900 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.767 1.633 2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.475 0.460 2.685 1.00 0.00 H new ATOM 0 HG LEU A 60 0.370 3.396 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.658 3.028 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.260 2.136 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.518 1.276 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.830 3.513 3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.700 1.793 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.555 2.972 5.007 1.00 0.00 H new ATOM 914 N LEU A 61 -0.798 1.004 6.364 1.00 0.00 N ATOM 915 CA LEU A 61 -1.988 0.531 7.049 1.00 0.00 C ATOM 916 C LEU A 61 -3.162 1.457 6.724 1.00 0.00 C ATOM 917 O LEU A 61 -2.967 2.645 6.469 1.00 0.00 O ATOM 918 CB LEU A 61 -1.720 0.382 8.548 1.00 0.00 C ATOM 919 CG LEU A 61 -2.955 0.239 9.440 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.772 1.533 9.457 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.798 -0.966 9.019 1.00 0.00 C ATOM 0 H LEU A 61 -0.398 1.861 6.746 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.259 -0.464 6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.085 -0.491 8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.153 1.250 8.883 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.620 0.057 10.461 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.644 1.404 10.098 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.157 2.347 9.840 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.098 1.771 8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.670 -1.045 9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.125 -0.839 7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.201 -1.874 9.101 1.00 0.00 H new ATOM 933 N VAL A 62 -4.354 0.879 6.742 1.00 0.00 N ATOM 934 CA VAL A 62 -5.558 1.638 6.451 1.00 0.00 C ATOM 935 C VAL A 62 -6.701 1.130 7.333 1.00 0.00 C ATOM 936 O VAL A 62 -7.109 -0.025 7.221 1.00 0.00 O ATOM 937 CB VAL A 62 -5.877 1.562 4.957 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.225 2.216 4.650 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.759 2.194 4.125 1.00 0.00 C ATOM 0 H VAL A 62 -4.512 -0.106 6.954 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.410 2.692 6.684 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.945 0.509 4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.427 2.148 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.013 1.703 5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.197 3.264 4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.011 2.127 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.645 3.241 4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.824 1.665 4.310 1.00 0.00 H new ATOM 949 N LYS A 63 -7.184 2.017 8.190 1.00 0.00 N ATOM 950 CA LYS A 63 -8.272 1.673 9.090 1.00 0.00 C ATOM 951 C LYS A 63 -9.518 2.472 8.706 1.00 0.00 C ATOM 952 O LYS A 63 -9.429 3.452 7.968 1.00 0.00 O ATOM 953 CB LYS A 63 -7.843 1.864 10.546 1.00 0.00 C ATOM 954 CG LYS A 63 -7.653 0.515 11.243 1.00 0.00 C ATOM 955 CD LYS A 63 -6.328 0.475 12.007 1.00 0.00 C ATOM 956 CE LYS A 63 -5.720 -0.929 11.975 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.857 -1.583 13.296 1.00 0.00 N ATOM 0 H LYS A 63 -6.842 2.974 8.280 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.528 0.618 8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.913 2.431 10.583 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.594 2.449 11.077 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.479 0.338 11.931 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.676 -0.286 10.505 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.630 1.188 11.569 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.490 0.782 13.040 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.216 -1.529 11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.667 -0.870 11.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.439 -2.535 13.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.364 -1.018 14.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.864 -1.657 13.544 1.00 0.00 H new ATOM 971 N ASN A 64 -10.653 2.024 9.224 1.00 0.00 N ATOM 972 CA ASN A 64 -11.916 2.686 8.944 1.00 0.00 C ATOM 973 C ASN A 64 -11.956 3.097 7.471 1.00 0.00 C ATOM 974 O ASN A 64 -11.508 4.186 7.114 1.00 0.00 O ATOM 975 CB ASN A 64 -12.075 3.949 9.792 1.00 0.00 C ATOM 976 CG ASN A 64 -13.463 4.006 10.435 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.475 4.175 9.775 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.453 3.856 11.756 1.00 0.00 N ATOM 0 H ASN A 64 -10.724 1.211 9.836 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.721 1.990 9.179 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.310 3.969 10.568 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.922 4.831 9.170 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.329 3.879 12.279 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.570 3.718 12.247 1.00 0.00 H new ATOM 985 N LEU A 65 -12.497 2.204 6.655 1.00 0.00 N ATOM 986 CA LEU A 65 -12.601 2.461 5.229 1.00 0.00 C ATOM 987 C LEU A 65 -14.045 2.232 4.778 1.00 0.00 C ATOM 988 O LEU A 65 -14.978 2.771 5.373 1.00 0.00 O ATOM 989 CB LEU A 65 -11.577 1.626 4.457 1.00 0.00 C ATOM 990 CG LEU A 65 -11.285 2.078 3.025 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.930 3.435 2.736 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.780 2.090 2.750 1.00 0.00 C ATOM 0 H LEU A 65 -12.868 1.302 6.954 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.359 3.501 5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.641 1.628 5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.928 0.594 4.427 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.732 1.356 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.707 3.733 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.010 3.360 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.533 4.181 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.600 2.415 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.290 2.777 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.377 1.087 2.889 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.185 1.432 3.731 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.500 1.126 3.194 1.00 0.00 C ATOM 1006 C ASN A 66 -16.166 0.060 4.066 1.00 0.00 C ATOM 1007 O ASN A 66 -16.279 -1.097 3.662 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.399 0.576 1.770 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.219 1.424 0.795 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -15.789 2.677 0.675 1.00 0.00 O flip ATOM 1011 ND2 ASN A 66 -17.178 0.970 0.193 1.00 0.00 N flip ATOM 0 H ASN A 66 -13.410 0.987 3.240 1.00 0.00 H new ATOM 0 HA ASN A 66 -16.083 2.047 3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.355 0.561 1.455 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.754 -0.454 1.748 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.454 -0.002 0.332 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.704 1.562 -0.450 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.591 0.487 5.246 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.244 -0.417 6.179 1.00 0.00 C ATOM 1020 C GLY A 67 -16.275 -1.497 6.664 1.00 0.00 C ATOM 1021 O GLY A 67 -16.700 -2.539 7.162 1.00 0.00 O ATOM 0 H GLY A 67 -16.496 1.447 5.578 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.623 0.146 7.032 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -18.103 -0.884 5.698 1.00 0.00 H new ATOM 1025 N LYS A 68 -14.991 -1.213 6.500 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.959 -2.147 6.915 1.00 0.00 C ATOM 1027 C LYS A 68 -12.598 -1.448 6.876 1.00 0.00 C ATOM 1028 O LYS A 68 -12.522 -0.243 6.640 1.00 0.00 O ATOM 1029 CB LYS A 68 -14.019 -3.422 6.072 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.577 -3.130 4.677 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.811 -3.910 3.606 1.00 0.00 C ATOM 1032 CE LYS A 68 -14.235 -5.381 3.591 1.00 0.00 C ATOM 1033 NZ LYS A 68 -13.719 -6.081 4.788 1.00 0.00 N ATOM 0 H LYS A 68 -14.642 -0.349 6.085 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.126 -2.465 7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.021 -3.853 5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.644 -4.163 6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.633 -3.397 4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.511 -2.062 4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.993 -3.465 2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.740 -3.838 3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.322 -5.452 3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.859 -5.865 2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.423 -7.043 4.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.904 -5.560 5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.467 -6.133 5.509 1.00 0.00 H new ATOM 1047 N SER A 69 -11.558 -2.234 7.111 1.00 0.00 N ATOM 1048 CA SER A 69 -10.205 -1.705 7.106 1.00 0.00 C ATOM 1049 C SER A 69 -9.333 -2.508 6.139 1.00 0.00 C ATOM 1050 O SER A 69 -9.661 -3.644 5.799 1.00 0.00 O ATOM 1051 CB SER A 69 -9.599 -1.727 8.510 1.00 0.00 C ATOM 1052 OG SER A 69 -10.363 -0.957 9.434 1.00 0.00 O ATOM 0 H SER A 69 -11.625 -3.233 7.306 1.00 0.00 H new ATOM 0 HA SER A 69 -10.245 -0.668 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.536 -2.757 8.861 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.581 -1.341 8.471 1.00 0.00 H new ATOM 0 HG SER A 69 -9.944 -0.998 10.319 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.239 -1.887 5.722 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.318 -2.530 4.801 1.00 0.00 C ATOM 1060 C TYR A 70 -5.868 -2.338 5.251 1.00 0.00 C ATOM 1061 O TYR A 70 -5.528 -1.311 5.837 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.517 -1.836 3.452 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.884 -2.094 2.815 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -10.019 -1.541 3.371 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -8.981 -2.880 1.685 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.306 -1.784 2.771 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.267 -3.123 1.085 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.366 -2.563 1.658 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.581 -2.793 1.092 1.00 0.00 O ATOM 0 H TYR A 70 -7.970 -0.945 6.005 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.510 -3.602 4.752 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.386 -0.762 3.585 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.739 -2.169 2.765 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.943 -0.926 4.256 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.092 -3.313 1.251 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.203 -1.357 3.195 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.357 -3.736 0.200 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.472 -3.365 0.304 1.00 0.00 H new ATOM 1079 N SER A 71 -5.054 -3.341 4.961 1.00 0.00 N ATOM 1080 CA SER A 71 -3.649 -3.295 5.328 1.00 0.00 C ATOM 1081 C SER A 71 -2.781 -3.695 4.133 1.00 0.00 C ATOM 1082 O SER A 71 -3.146 -4.585 3.367 1.00 0.00 O ATOM 1083 CB SER A 71 -3.361 -4.209 6.522 1.00 0.00 C ATOM 1084 OG SER A 71 -3.797 -5.545 6.288 1.00 0.00 O ATOM 0 H SER A 71 -5.340 -4.191 4.476 1.00 0.00 H new ATOM 0 HA SER A 71 -3.406 -2.273 5.619 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.291 -4.208 6.730 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.858 -3.815 7.408 1.00 0.00 H new ATOM 0 HG SER A 71 -4.657 -5.531 5.819 1.00 0.00 H new ATOM 1090 N MET A 72 -1.650 -3.017 4.011 1.00 0.00 N ATOM 1091 CA MET A 72 -0.728 -3.290 2.922 1.00 0.00 C ATOM 1092 C MET A 72 0.713 -2.980 3.332 1.00 0.00 C ATOM 1093 O MET A 72 1.037 -1.840 3.662 1.00 0.00 O ATOM 1094 CB MET A 72 -1.107 -2.441 1.706 1.00 0.00 C ATOM 1095 CG MET A 72 0.054 -2.358 0.712 1.00 0.00 C ATOM 1096 SD MET A 72 -0.564 -1.959 -0.914 1.00 0.00 S ATOM 1097 CE MET A 72 -0.021 -3.402 -1.814 1.00 0.00 C ATOM 0 H MET A 72 -1.351 -2.279 4.648 1.00 0.00 H new ATOM 0 HA MET A 72 -0.795 -4.349 2.672 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.980 -2.871 1.216 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.385 -1.438 2.030 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.767 -1.600 1.035 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.589 -3.307 0.684 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.373 -3.099 -2.784 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.759 -3.911 -1.248 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.863 -4.078 -1.960 1.00 0.00 H new ATOM 1107 N ILE A 73 1.540 -4.014 3.298 1.00 0.00 N ATOM 1108 CA ILE A 73 2.939 -3.866 3.662 1.00 0.00 C ATOM 1109 C ILE A 73 3.809 -4.595 2.636 1.00 0.00 C ATOM 1110 O ILE A 73 3.419 -5.640 2.117 1.00 0.00 O ATOM 1111 CB ILE A 73 3.169 -4.329 5.102 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.447 -3.414 6.094 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.664 -4.441 5.410 1.00 0.00 C ATOM 1114 CD1 ILE A 73 2.963 -3.634 7.518 1.00 0.00 C ATOM 0 H ILE A 73 1.268 -4.958 3.024 1.00 0.00 H new ATOM 0 HA ILE A 73 3.230 -2.816 3.638 1.00 0.00 H new ATOM 0 HB ILE A 73 2.742 -5.326 5.213 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.594 -2.373 5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.375 -3.607 6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.800 -4.772 6.440 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.122 -5.163 4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.137 -3.468 5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.434 -2.972 8.203 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.793 -4.670 7.811 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.031 -3.417 7.556 1.00 0.00 H new ATOM 1126 N VAL A 74 4.971 -4.015 2.373 1.00 0.00 N ATOM 1127 CA VAL A 74 5.899 -4.596 1.418 1.00 0.00 C ATOM 1128 C VAL A 74 7.277 -4.729 2.069 1.00 0.00 C ATOM 1129 O VAL A 74 7.843 -3.743 2.538 1.00 0.00 O ATOM 1130 CB VAL A 74 5.921 -3.761 0.136 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.604 -3.004 -0.048 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.112 -2.801 0.128 1.00 0.00 C ATOM 0 H VAL A 74 5.291 -3.148 2.805 1.00 0.00 H new ATOM 0 HA VAL A 74 5.577 -5.597 1.132 1.00 0.00 H new ATOM 0 HB VAL A 74 6.035 -4.443 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.646 -2.418 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.781 -3.716 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.446 -2.338 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.104 -2.219 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.042 -2.128 0.982 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.039 -3.371 0.190 1.00 0.00 H new ATOM 1142 N ASN A 75 7.777 -5.955 2.077 1.00 0.00 N ATOM 1143 CA ASN A 75 9.078 -6.230 2.662 1.00 0.00 C ATOM 1144 C ASN A 75 10.001 -6.814 1.591 1.00 0.00 C ATOM 1145 O ASN A 75 9.625 -7.747 0.883 1.00 0.00 O ATOM 1146 CB ASN A 75 8.967 -7.249 3.798 1.00 0.00 C ATOM 1147 CG ASN A 75 8.276 -6.637 5.018 1.00 0.00 C ATOM 1148 OD1 ASN A 75 7.301 -7.155 5.536 1.00 0.00 O ATOM 1149 ND2 ASN A 75 8.835 -5.509 5.446 1.00 0.00 N ATOM 0 H ASN A 75 7.304 -6.770 1.687 1.00 0.00 H new ATOM 0 HA ASN A 75 9.476 -5.294 3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.407 -8.120 3.457 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.961 -7.599 4.076 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.448 -5.023 6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.651 -5.130 4.965 1.00 0.00 H new ATOM 1156 N ASN A 76 11.193 -6.241 1.506 1.00 0.00 N ATOM 1157 CA ASN A 76 12.173 -6.693 0.533 1.00 0.00 C ATOM 1158 C ASN A 76 11.888 -6.032 -0.817 1.00 0.00 C ATOM 1159 O ASN A 76 11.135 -6.568 -1.629 1.00 0.00 O ATOM 1160 CB ASN A 76 12.100 -8.209 0.341 1.00 0.00 C ATOM 1161 CG ASN A 76 11.849 -8.919 1.673 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.272 -8.479 2.730 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.141 -10.039 1.565 1.00 0.00 N ATOM 0 H ASN A 76 11.502 -5.468 2.095 1.00 0.00 H new ATOM 0 HA ASN A 76 13.163 -6.423 0.902 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.302 -8.452 -0.361 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.031 -8.569 -0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.922 -10.586 2.398 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.817 -10.351 0.650 1.00 0.00 H new ATOM 1170 N LEU A 77 12.505 -4.876 -1.016 1.00 0.00 N ATOM 1171 CA LEU A 77 12.327 -4.136 -2.253 1.00 0.00 C ATOM 1172 C LEU A 77 13.552 -4.343 -3.147 1.00 0.00 C ATOM 1173 O LEU A 77 14.686 -4.264 -2.679 1.00 0.00 O ATOM 1174 CB LEU A 77 12.022 -2.666 -1.959 1.00 0.00 C ATOM 1175 CG LEU A 77 10.715 -2.388 -1.213 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.691 -0.961 -0.663 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.504 -2.680 -2.102 1.00 0.00 C ATOM 0 H LEU A 77 13.129 -4.434 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 77 11.464 -4.513 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 77 12.845 -2.255 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.000 -2.124 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 77 10.658 -3.063 -0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.752 -0.789 -0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.523 -0.823 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.781 -0.252 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.588 -2.474 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.542 -2.047 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.518 -3.727 -2.404 1.00 0.00 H new ATOM 1189 N LEU A 78 13.280 -4.604 -4.417 1.00 0.00 N ATOM 1190 CA LEU A 78 14.345 -4.824 -5.380 1.00 0.00 C ATOM 1191 C LEU A 78 15.493 -3.853 -5.094 1.00 0.00 C ATOM 1192 O LEU A 78 16.657 -4.252 -5.072 1.00 0.00 O ATOM 1193 CB LEU A 78 13.804 -4.732 -6.808 1.00 0.00 C ATOM 1194 CG LEU A 78 14.564 -5.534 -7.867 1.00 0.00 C ATOM 1195 CD1 LEU A 78 14.352 -7.036 -7.673 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.185 -5.078 -9.277 1.00 0.00 C ATOM 0 H LEU A 78 12.337 -4.668 -4.801 1.00 0.00 H new ATOM 0 HA LEU A 78 14.746 -5.832 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.766 -5.065 -6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.801 -3.684 -7.107 1.00 0.00 H new ATOM 0 HG LEU A 78 15.630 -5.341 -7.743 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.903 -7.583 -8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.712 -7.330 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.290 -7.267 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.739 -5.664 -10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.116 -5.222 -9.431 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.430 -4.023 -9.396 1.00 0.00 H new ATOM 1208 N LYS A 79 15.126 -2.598 -4.883 1.00 0.00 N ATOM 1209 CA LYS A 79 16.110 -1.568 -4.599 1.00 0.00 C ATOM 1210 C LYS A 79 15.690 -0.798 -3.345 1.00 0.00 C ATOM 1211 O LYS A 79 14.523 -0.825 -2.958 1.00 0.00 O ATOM 1212 CB LYS A 79 16.322 -0.677 -5.825 1.00 0.00 C ATOM 1213 CG LYS A 79 16.475 -1.518 -7.094 1.00 0.00 C ATOM 1214 CD LYS A 79 17.941 -1.881 -7.338 1.00 0.00 C ATOM 1215 CE LYS A 79 18.059 -3.140 -8.199 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.405 -3.739 -8.061 1.00 0.00 N ATOM 0 H LYS A 79 14.160 -2.271 -4.903 1.00 0.00 H new ATOM 0 HA LYS A 79 17.080 -2.017 -4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.478 0.003 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.211 -0.062 -5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.881 -2.428 -7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.086 -0.966 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.448 -1.051 -7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.443 -2.040 -6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.300 -3.864 -7.901 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.870 -2.892 -9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.467 -4.592 -8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.124 -3.052 -8.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.571 -3.994 -7.067 1.00 0.00 H new ATOM 1230 N PRO A 80 16.691 -0.113 -2.729 1.00 0.00 N ATOM 1231 CA PRO A 80 16.437 0.662 -1.527 1.00 0.00 C ATOM 1232 C PRO A 80 15.703 1.963 -1.859 1.00 0.00 C ATOM 1233 O PRO A 80 15.622 2.355 -3.022 1.00 0.00 O ATOM 1234 CB PRO A 80 17.807 0.893 -0.911 1.00 0.00 C ATOM 1235 CG PRO A 80 18.812 0.643 -2.024 1.00 0.00 C ATOM 1236 CD PRO A 80 18.085 -0.059 -3.159 1.00 0.00 C ATOM 0 HA PRO A 80 15.781 0.147 -0.825 1.00 0.00 H new ATOM 0 HB2 PRO A 80 17.896 1.909 -0.526 1.00 0.00 H new ATOM 0 HB3 PRO A 80 17.977 0.218 -0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.241 1.584 -2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.638 0.030 -1.662 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.190 0.489 -4.095 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.486 -1.058 -3.328 1.00 0.00 H new ATOM 1244 N ILE A 81 15.187 2.597 -0.815 1.00 0.00 N ATOM 1245 CA ILE A 81 14.463 3.845 -0.981 1.00 0.00 C ATOM 1246 C ILE A 81 14.795 4.781 0.183 1.00 0.00 C ATOM 1247 O ILE A 81 14.928 4.336 1.323 1.00 0.00 O ATOM 1248 CB ILE A 81 12.966 3.579 -1.149 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.465 2.588 -0.096 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.648 3.113 -2.571 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.424 3.239 0.818 1.00 0.00 C ATOM 0 H ILE A 81 15.256 2.269 0.148 1.00 0.00 H new ATOM 0 HA ILE A 81 14.777 4.349 -1.895 1.00 0.00 H new ATOM 0 HB ILE A 81 12.432 4.516 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.029 1.718 -0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.304 2.230 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.577 2.931 -2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.948 3.883 -3.282 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.192 2.192 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.084 2.513 1.557 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.870 4.094 1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.575 3.574 0.222 1.00 0.00 H new ATOM 1263 N SER A 82 14.918 6.059 -0.142 1.00 0.00 N ATOM 1264 CA SER A 82 15.231 7.061 0.862 1.00 0.00 C ATOM 1265 C SER A 82 13.973 7.417 1.657 1.00 0.00 C ATOM 1266 O SER A 82 13.114 8.151 1.170 1.00 0.00 O ATOM 1267 CB SER A 82 15.827 8.316 0.222 1.00 0.00 C ATOM 1268 OG SER A 82 17.245 8.360 0.354 1.00 0.00 O ATOM 0 H SER A 82 14.806 6.424 -1.088 1.00 0.00 H new ATOM 0 HA SER A 82 15.976 6.644 1.540 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.560 8.346 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.392 9.201 0.686 1.00 0.00 H new ATOM 0 HG SER A 82 17.588 9.175 -0.069 1.00 0.00 H new ATOM 1274 N VAL A 83 13.903 6.880 2.866 1.00 0.00 N ATOM 1275 CA VAL A 83 12.764 7.131 3.732 1.00 0.00 C ATOM 1276 C VAL A 83 12.525 8.640 3.827 1.00 0.00 C ATOM 1277 O VAL A 83 11.468 9.130 3.433 1.00 0.00 O ATOM 1278 CB VAL A 83 12.988 6.475 5.096 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.036 7.051 6.145 1.00 0.00 C ATOM 1280 CG2 VAL A 83 12.846 4.954 5.002 1.00 0.00 C ATOM 0 H VAL A 83 14.617 6.272 3.266 1.00 0.00 H new ATOM 0 HA VAL A 83 11.862 6.683 3.316 1.00 0.00 H new ATOM 0 HB VAL A 83 14.007 6.698 5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.217 6.567 7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.206 8.123 6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.005 6.874 5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.010 4.512 5.985 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.844 4.703 4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 83 13.583 4.562 4.301 1.00 0.00 H new ATOM 1290 N GLU A 84 13.524 9.333 4.352 1.00 0.00 N ATOM 1291 CA GLU A 84 13.435 10.776 4.504 1.00 0.00 C ATOM 1292 C GLU A 84 12.733 11.394 3.294 1.00 0.00 C ATOM 1293 O GLU A 84 11.784 12.162 3.448 1.00 0.00 O ATOM 1294 CB GLU A 84 14.821 11.392 4.709 1.00 0.00 C ATOM 1295 CG GLU A 84 15.455 10.896 6.010 1.00 0.00 C ATOM 1296 CD GLU A 84 16.846 11.500 6.207 1.00 0.00 C ATOM 1297 OE1 GLU A 84 16.900 12.661 6.669 1.00 0.00 O ATOM 1298 OE2 GLU A 84 17.824 10.789 5.892 1.00 0.00 O ATOM 0 H GLU A 84 14.399 8.923 4.678 1.00 0.00 H new ATOM 0 HA GLU A 84 12.843 10.993 5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.464 11.137 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.740 12.479 4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.817 11.160 6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.526 9.808 5.993 1.00 0.00 H new ATOM 1305 N GLY A 85 13.227 11.037 2.117 1.00 0.00 N ATOM 1306 CA GLY A 85 12.659 11.548 0.881 1.00 0.00 C ATOM 1307 C GLY A 85 11.313 10.884 0.581 1.00 0.00 C ATOM 1308 O GLY A 85 10.437 11.496 -0.028 1.00 0.00 O ATOM 0 H GLY A 85 14.014 10.400 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.528 12.627 0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.349 11.367 0.057 1.00 0.00 H new ATOM 1312 N SER A 86 11.192 9.641 1.022 1.00 0.00 N ATOM 1313 CA SER A 86 9.968 8.887 0.808 1.00 0.00 C ATOM 1314 C SER A 86 8.762 9.704 1.275 1.00 0.00 C ATOM 1315 O SER A 86 8.887 10.556 2.154 1.00 0.00 O ATOM 1316 CB SER A 86 10.014 7.543 1.537 1.00 0.00 C ATOM 1317 OG SER A 86 11.163 6.780 1.179 1.00 0.00 O ATOM 0 H SER A 86 11.921 9.137 1.527 1.00 0.00 H new ATOM 0 HA SER A 86 9.872 8.687 -0.259 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.014 7.714 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.114 6.974 1.305 1.00 0.00 H new ATOM 0 HG SER A 86 11.767 7.332 0.640 1.00 0.00 H new ATOM 1323 N SER A 87 7.620 9.416 0.667 1.00 0.00 N ATOM 1324 CA SER A 87 6.393 10.113 1.010 1.00 0.00 C ATOM 1325 C SER A 87 5.182 9.261 0.624 1.00 0.00 C ATOM 1326 O SER A 87 5.297 8.345 -0.189 1.00 0.00 O ATOM 1327 CB SER A 87 6.323 11.477 0.321 1.00 0.00 C ATOM 1328 OG SER A 87 7.058 11.497 -0.900 1.00 0.00 O ATOM 0 H SER A 87 7.519 8.709 -0.061 1.00 0.00 H new ATOM 0 HA SER A 87 6.384 10.279 2.087 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.282 11.729 0.121 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.713 12.242 0.992 1.00 0.00 H new ATOM 0 HG SER A 87 6.987 12.384 -1.310 1.00 0.00 H new ATOM 1334 N LYS A 88 4.049 9.593 1.225 1.00 0.00 N ATOM 1335 CA LYS A 88 2.818 8.870 0.954 1.00 0.00 C ATOM 1336 C LYS A 88 1.759 9.848 0.443 1.00 0.00 C ATOM 1337 O LYS A 88 1.685 10.986 0.905 1.00 0.00 O ATOM 1338 CB LYS A 88 2.379 8.078 2.188 1.00 0.00 C ATOM 1339 CG LYS A 88 0.881 7.772 2.139 1.00 0.00 C ATOM 1340 CD LYS A 88 0.093 8.750 3.013 1.00 0.00 C ATOM 1341 CE LYS A 88 -1.088 8.051 3.689 1.00 0.00 C ATOM 1342 NZ LYS A 88 -2.258 8.955 3.754 1.00 0.00 N ATOM 0 H LYS A 88 3.958 10.353 1.899 1.00 0.00 H new ATOM 0 HA LYS A 88 2.976 8.131 0.168 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.942 7.147 2.246 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.608 8.646 3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.527 7.832 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.703 6.751 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.750 9.177 3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.270 9.577 2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.349 7.148 3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.806 7.739 4.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.118 8.428 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.353 9.331 4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.126 9.742 3.087 1.00 0.00 H new ATOM 1356 N LYS A 89 0.965 9.370 -0.504 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.087 10.188 -1.083 1.00 0.00 C ATOM 1358 C LYS A 89 -1.359 9.350 -1.225 1.00 0.00 C ATOM 1359 O LYS A 89 -1.305 8.121 -1.192 1.00 0.00 O ATOM 1360 CB LYS A 89 0.385 10.817 -2.395 1.00 0.00 C ATOM 1361 CG LYS A 89 0.887 12.245 -2.169 1.00 0.00 C ATOM 1362 CD LYS A 89 0.384 13.184 -3.267 1.00 0.00 C ATOM 1363 CE LYS A 89 0.975 12.804 -4.626 1.00 0.00 C ATOM 1364 NZ LYS A 89 0.263 13.508 -5.716 1.00 0.00 N ATOM 0 H LYS A 89 1.029 8.426 -0.885 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.327 11.023 -0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.182 10.212 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.434 10.825 -3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.549 12.603 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.977 12.252 -2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.704 13.143 -3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.654 14.212 -3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.035 13.058 -4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.902 11.726 -4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.677 13.239 -6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.743 13.245 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.354 14.535 -5.584 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.475 10.047 -1.381 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.759 9.383 -1.528 1.00 0.00 C ATOM 1380 C VAL A 90 -4.538 10.036 -2.672 1.00 0.00 C ATOM 1381 O VAL A 90 -4.664 11.258 -2.723 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.516 9.406 -0.199 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -5.883 8.733 -0.335 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.692 8.754 0.913 1.00 0.00 C ATOM 0 H VAL A 90 -2.516 11.066 -1.409 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.619 8.334 -1.788 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.681 10.448 0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.400 8.763 0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.475 9.260 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.749 7.696 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.253 8.784 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.481 7.718 0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.754 9.295 1.036 1.00 0.00 H new ATOM 1394 N LYS A 91 -5.040 9.192 -3.561 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.804 9.672 -4.700 1.00 0.00 C ATOM 1396 C LYS A 91 -7.257 9.212 -4.565 1.00 0.00 C ATOM 1397 O LYS A 91 -7.620 8.572 -3.579 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.141 9.239 -6.009 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.155 8.093 -5.772 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.600 7.564 -7.097 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.845 8.660 -7.851 1.00 0.00 C ATOM 1402 NZ LYS A 91 -2.047 8.075 -8.952 1.00 0.00 N ATOM 0 H LYS A 91 -4.933 8.179 -3.516 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.815 10.762 -4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.904 8.925 -6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.619 10.086 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.335 8.438 -5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.652 7.286 -5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.933 6.723 -6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.417 7.190 -7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.551 9.387 -8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.190 9.197 -7.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.706 8.835 -9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.234 7.561 -8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.639 7.418 -9.499 1.00 0.00 H new ATOM 1416 N THR A 92 -8.049 9.558 -5.569 1.00 0.00 N ATOM 1417 CA THR A 92 -9.454 9.189 -5.575 1.00 0.00 C ATOM 1418 C THR A 92 -9.606 7.666 -5.554 1.00 0.00 C ATOM 1419 O THR A 92 -9.152 6.981 -6.469 1.00 0.00 O ATOM 1420 CB THR A 92 -10.111 9.848 -6.789 1.00 0.00 C ATOM 1421 OG1 THR A 92 -9.865 11.239 -6.604 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.637 9.733 -6.764 1.00 0.00 C ATOM 0 H THR A 92 -7.744 10.090 -6.384 1.00 0.00 H new ATOM 0 HA THR A 92 -9.960 9.547 -4.679 1.00 0.00 H new ATOM 0 HB THR A 92 -9.728 9.391 -7.701 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.256 11.742 -7.348 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.053 10.217 -7.648 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.923 8.681 -6.758 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.024 10.219 -5.868 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.246 7.182 -4.500 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.464 5.754 -4.347 1.00 0.00 C ATOM 1432 C ASP A 93 -9.162 5.009 -4.650 1.00 0.00 C ATOM 1433 O ASP A 93 -9.188 3.876 -5.128 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.533 5.252 -5.320 1.00 0.00 C ATOM 1435 CG ASP A 93 -11.191 5.425 -6.802 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -10.495 4.532 -7.331 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -11.633 6.446 -7.371 1.00 0.00 O ATOM 0 H ASP A 93 -10.621 7.754 -3.743 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.793 5.571 -3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.713 4.195 -5.125 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.466 5.777 -5.114 1.00 0.00 H new ATOM 1442 N THR A 94 -8.055 5.676 -4.360 1.00 0.00 N ATOM 1443 CA THR A 94 -6.745 5.091 -4.595 1.00 0.00 C ATOM 1444 C THR A 94 -5.718 5.675 -3.623 1.00 0.00 C ATOM 1445 O THR A 94 -5.780 6.855 -3.284 1.00 0.00 O ATOM 1446 CB THR A 94 -6.385 5.314 -6.065 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.273 4.453 -6.774 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.993 4.784 -6.414 1.00 0.00 C ATOM 0 H THR A 94 -8.038 6.616 -3.964 1.00 0.00 H new ATOM 0 HA THR A 94 -6.751 4.018 -4.406 1.00 0.00 H new ATOM 0 HB THR A 94 -6.435 6.379 -6.294 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.846 3.978 -6.137 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.788 4.968 -7.469 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.246 5.294 -5.805 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.952 3.713 -6.217 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.798 4.820 -3.201 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.759 5.236 -2.274 1.00 0.00 C ATOM 1458 C VAL A 95 -2.409 5.233 -2.994 1.00 0.00 C ATOM 1459 O VAL A 95 -2.060 4.261 -3.663 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.777 4.342 -1.033 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.585 2.872 -1.412 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.721 4.789 -0.020 1.00 0.00 C ATOM 0 H VAL A 95 -4.750 3.841 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.940 6.253 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.756 4.441 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.602 2.259 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.389 2.560 -2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.627 2.749 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.755 4.137 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.733 4.733 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.922 5.816 0.286 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.685 6.331 -2.832 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.381 6.467 -3.458 1.00 0.00 C ATOM 1474 C LEU A 96 0.709 6.243 -2.408 1.00 0.00 C ATOM 1475 O LEU A 96 0.554 6.637 -1.253 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.272 7.811 -4.181 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.378 7.762 -5.707 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.118 9.066 -6.333 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.353 6.541 -6.269 1.00 0.00 C ATOM 0 H LEU A 96 -1.977 7.135 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.245 5.706 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.055 8.469 -3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.682 8.267 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.430 7.657 -5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.032 9.005 -7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.485 9.897 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.161 9.227 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.262 6.530 -7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.407 6.589 -5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.088 5.632 -5.859 1.00 0.00 H new ATOM 1491 N ILE A 97 1.788 5.612 -2.847 1.00 0.00 N ATOM 1492 CA ILE A 97 2.904 5.331 -1.960 1.00 0.00 C ATOM 1493 C ILE A 97 4.211 5.726 -2.651 1.00 0.00 C ATOM 1494 O ILE A 97 4.819 4.915 -3.347 1.00 0.00 O ATOM 1495 CB ILE A 97 2.868 3.872 -1.500 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.509 3.522 -0.892 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.020 3.572 -0.539 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.322 4.206 0.464 1.00 0.00 C ATOM 0 H ILE A 97 1.913 5.287 -3.806 1.00 0.00 H new ATOM 0 HA ILE A 97 2.829 5.930 -1.052 1.00 0.00 H new ATOM 0 HB ILE A 97 3.003 3.235 -2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.713 3.829 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.427 2.442 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.971 2.529 -0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.970 3.757 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.941 4.216 0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.348 3.940 0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.105 3.879 1.148 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.380 5.287 0.337 1.00 0.00 H new ATOM 1510 N LEU A 98 4.604 6.973 -2.433 1.00 0.00 N ATOM 1511 CA LEU A 98 5.828 7.485 -3.026 1.00 0.00 C ATOM 1512 C LEU A 98 7.031 6.932 -2.260 1.00 0.00 C ATOM 1513 O LEU A 98 7.174 7.174 -1.063 1.00 0.00 O ATOM 1514 CB LEU A 98 5.791 9.013 -3.093 1.00 0.00 C ATOM 1515 CG LEU A 98 4.699 9.620 -3.977 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.169 10.923 -3.375 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.198 9.812 -5.410 1.00 0.00 C ATOM 0 H LEU A 98 4.097 7.643 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 98 5.923 7.145 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.667 9.398 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.758 9.365 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 98 3.864 8.921 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.394 11.334 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.750 10.724 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.985 11.640 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.403 10.245 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.059 10.481 -5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.489 8.847 -5.826 1.00 0.00 H new ATOM 1529 N CYS A 99 7.866 6.200 -2.983 1.00 0.00 N ATOM 1530 CA CYS A 99 9.053 5.610 -2.386 1.00 0.00 C ATOM 1531 C CYS A 99 10.281 6.163 -3.112 1.00 0.00 C ATOM 1532 O CYS A 99 10.591 5.742 -4.225 1.00 0.00 O ATOM 1533 CB CYS A 99 9.006 4.081 -2.427 1.00 0.00 C ATOM 1534 SG CYS A 99 8.167 3.440 -0.932 1.00 0.00 S ATOM 0 H CYS A 99 7.744 6.002 -3.976 1.00 0.00 H new ATOM 0 HA CYS A 99 9.105 5.878 -1.331 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.478 3.749 -3.321 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.018 3.679 -2.487 1.00 0.00 H new ATOM 0 HG CYS A 99 8.125 4.371 -0.025 1.00 0.00 H new ATOM 1540 N ARG A 100 10.947 7.099 -2.451 1.00 0.00 N ATOM 1541 CA ARG A 100 12.134 7.715 -3.020 1.00 0.00 C ATOM 1542 C ARG A 100 13.175 6.646 -3.359 1.00 0.00 C ATOM 1543 O ARG A 100 13.264 5.624 -2.681 1.00 0.00 O ATOM 1544 CB ARG A 100 12.748 8.726 -2.049 1.00 0.00 C ATOM 1545 CG ARG A 100 12.218 10.136 -2.318 1.00 0.00 C ATOM 1546 CD ARG A 100 12.319 10.485 -3.804 1.00 0.00 C ATOM 1547 NE ARG A 100 10.999 10.320 -4.454 1.00 0.00 N ATOM 1548 CZ ARG A 100 9.916 11.046 -4.147 1.00 0.00 C ATOM 1549 NH1 ARG A 100 9.988 11.990 -3.199 1.00 0.00 N ATOM 1550 NH2 ARG A 100 8.759 10.828 -4.788 1.00 0.00 N ATOM 0 H ARG A 100 10.687 7.445 -1.527 1.00 0.00 H new ATOM 0 HA ARG A 100 11.835 8.237 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.518 8.437 -1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.834 8.717 -2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.180 10.206 -1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.784 10.859 -1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.666 11.512 -3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.055 9.842 -4.288 1.00 0.00 H new ATOM 0 HE ARG A 100 10.909 9.610 -5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.868 12.156 -2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.163 12.542 -2.966 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.703 10.109 -5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.934 11.381 -4.554 1.00 0.00 H new ATOM 1564 N LYS A 101 13.937 6.919 -4.408 1.00 0.00 N ATOM 1565 CA LYS A 101 14.968 5.994 -4.846 1.00 0.00 C ATOM 1566 C LYS A 101 16.294 6.363 -4.178 1.00 0.00 C ATOM 1567 O LYS A 101 16.510 7.517 -3.812 1.00 0.00 O ATOM 1568 CB LYS A 101 15.039 5.954 -6.373 1.00 0.00 C ATOM 1569 CG LYS A 101 14.169 4.827 -6.933 1.00 0.00 C ATOM 1570 CD LYS A 101 14.488 4.569 -8.407 1.00 0.00 C ATOM 1571 CE LYS A 101 14.178 3.120 -8.789 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.383 3.072 -10.037 1.00 0.00 N ATOM 0 H LYS A 101 13.861 7.768 -4.968 1.00 0.00 H new ATOM 0 HA LYS A 101 14.725 4.978 -4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.710 6.910 -6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 101 16.072 5.812 -6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.332 3.916 -6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.116 5.088 -6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.907 5.246 -9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.540 4.782 -8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.107 2.566 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.629 2.634 -7.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.480 2.589 -9.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.198 4.040 -10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.912 2.552 -10.766 1.00 0.00 H new ATOM 1585 N LYS A 102 17.149 5.360 -4.039 1.00 0.00 N ATOM 1586 CA LYS A 102 18.449 5.565 -3.422 1.00 0.00 C ATOM 1587 C LYS A 102 19.474 5.909 -4.504 1.00 0.00 C ATOM 1588 O LYS A 102 20.484 6.554 -4.225 1.00 0.00 O ATOM 1589 CB LYS A 102 18.835 4.352 -2.573 1.00 0.00 C ATOM 1590 CG LYS A 102 20.004 4.684 -1.643 1.00 0.00 C ATOM 1591 CD LYS A 102 20.088 3.683 -0.489 1.00 0.00 C ATOM 1592 CE LYS A 102 21.535 3.498 -0.028 1.00 0.00 C ATOM 1593 NZ LYS A 102 21.978 4.663 0.770 1.00 0.00 N ATOM 0 H LYS A 102 16.967 4.403 -4.343 1.00 0.00 H new ATOM 0 HA LYS A 102 18.416 6.410 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.977 4.028 -1.984 1.00 0.00 H new ATOM 0 HB3 LYS A 102 19.107 3.520 -3.223 1.00 0.00 H new ATOM 0 HG2 LYS A 102 20.937 4.673 -2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 102 19.883 5.692 -1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 102 19.479 4.032 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.678 2.724 -0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 102 21.620 2.589 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 102 22.186 3.374 -0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 22.962 4.521 1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 21.916 5.524 0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 21.368 4.763 1.606 1.00 0.00 H new ATOM 1607 N VAL A 103 19.179 5.464 -5.717 1.00 0.00 N ATOM 1608 CA VAL A 103 20.063 5.718 -6.842 1.00 0.00 C ATOM 1609 C VAL A 103 19.244 5.734 -8.134 1.00 0.00 C ATOM 1610 O VAL A 103 18.635 4.729 -8.500 1.00 0.00 O ATOM 1611 CB VAL A 103 21.193 4.686 -6.863 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.888 3.521 -5.920 1.00 0.00 C ATOM 1613 CG2 VAL A 103 21.453 4.187 -8.285 1.00 0.00 C ATOM 0 H VAL A 103 18.341 4.929 -5.945 1.00 0.00 H new ATOM 0 HA VAL A 103 20.535 6.695 -6.744 1.00 0.00 H new ATOM 0 HB VAL A 103 22.101 5.175 -6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.706 2.802 -5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.776 3.896 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.964 3.034 -6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.260 3.455 -8.272 1.00 0.00 H new ATOM 0 HG22 VAL A 103 20.549 3.723 -8.679 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.735 5.027 -8.919 1.00 0.00 H new ATOM 1623 N GLU A 104 19.255 6.885 -8.790 1.00 0.00 N ATOM 1624 CA GLU A 104 18.521 7.045 -10.034 1.00 0.00 C ATOM 1625 C GLU A 104 19.055 6.079 -11.093 1.00 0.00 C ATOM 1626 O GLU A 104 20.056 5.400 -10.871 1.00 0.00 O ATOM 1627 CB GLU A 104 18.588 8.492 -10.528 1.00 0.00 C ATOM 1628 CG GLU A 104 18.107 9.463 -9.447 1.00 0.00 C ATOM 1629 CD GLU A 104 19.286 10.009 -8.638 1.00 0.00 C ATOM 1630 OE1 GLU A 104 20.346 9.347 -8.663 1.00 0.00 O ATOM 1631 OE2 GLU A 104 19.099 11.075 -8.013 1.00 0.00 O ATOM 0 H GLU A 104 19.761 7.716 -8.483 1.00 0.00 H new ATOM 0 HA GLU A 104 17.474 6.807 -9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.612 8.736 -10.812 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.974 8.604 -11.422 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.565 10.288 -9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.408 8.956 -8.782 1.00 0.00 H new ATOM 1638 N ASN A 105 18.362 6.047 -12.222 1.00 0.00 N ATOM 1639 CA ASN A 105 18.753 5.175 -13.316 1.00 0.00 C ATOM 1640 C ASN A 105 18.834 3.734 -12.810 1.00 0.00 C ATOM 1641 O ASN A 105 19.837 3.053 -13.021 1.00 0.00 O ATOM 1642 CB ASN A 105 20.129 5.562 -13.864 1.00 0.00 C ATOM 1643 CG ASN A 105 20.018 6.725 -14.852 1.00 0.00 C ATOM 1644 OD1 ASN A 105 19.429 6.617 -15.915 1.00 0.00 O ATOM 1645 ND2 ASN A 105 20.616 7.841 -14.443 1.00 0.00 N ATOM 0 H ASN A 105 17.532 6.611 -12.402 1.00 0.00 H new ATOM 0 HA ASN A 105 18.009 5.272 -14.107 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.787 5.841 -13.041 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.583 4.703 -14.358 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.599 8.674 -15.031 1.00 0.00 H new ATOM 0 HD22 ASN A 105 21.092 7.864 -13.541 1.00 0.00 H new ATOM 1652 N THR A 106 17.766 3.310 -12.152 1.00 0.00 N ATOM 1653 CA THR A 106 17.703 1.962 -11.614 1.00 0.00 C ATOM 1654 C THR A 106 16.312 1.364 -11.834 1.00 0.00 C ATOM 1655 O THR A 106 15.372 1.686 -11.109 1.00 0.00 O ATOM 1656 CB THR A 106 18.113 2.021 -10.141 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.534 2.124 -10.179 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.854 0.703 -9.408 1.00 0.00 C ATOM 0 H THR A 106 16.936 3.877 -11.979 1.00 0.00 H new ATOM 0 HA THR A 106 18.394 1.297 -12.132 1.00 0.00 H new ATOM 0 HB THR A 106 17.569 2.825 -9.645 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.914 1.706 -9.378 1.00 0.00 H new ATOM 0 HG21 THR A 106 18.162 0.799 -8.367 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.791 0.465 -9.451 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.424 -0.096 -9.883 1.00 0.00 H new ATOM 1666 N ARG A 107 16.226 0.503 -12.837 1.00 0.00 N ATOM 1667 CA ARG A 107 14.966 -0.144 -13.162 1.00 0.00 C ATOM 1668 C ARG A 107 14.603 -1.170 -12.087 1.00 0.00 C ATOM 1669 O ARG A 107 15.484 -1.725 -11.432 1.00 0.00 O ATOM 1670 CB ARG A 107 15.039 -0.843 -14.521 1.00 0.00 C ATOM 1671 CG ARG A 107 13.825 -0.494 -15.384 1.00 0.00 C ATOM 1672 CD ARG A 107 13.712 -1.441 -16.580 1.00 0.00 C ATOM 1673 NE ARG A 107 12.709 -0.927 -17.540 1.00 0.00 N ATOM 1674 CZ ARG A 107 12.539 -1.408 -18.778 1.00 0.00 C ATOM 1675 NH1 ARG A 107 13.303 -2.418 -19.216 1.00 0.00 N ATOM 1676 NH2 ARG A 107 11.603 -0.880 -19.580 1.00 0.00 N ATOM 0 H ARG A 107 17.008 0.238 -13.436 1.00 0.00 H new ATOM 0 HA ARG A 107 14.199 0.629 -13.205 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.953 -0.548 -15.037 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.089 -1.922 -14.376 1.00 0.00 H new ATOM 0 HG2 ARG A 107 12.918 -0.552 -14.782 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.908 0.534 -15.736 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.681 -1.538 -17.070 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.426 -2.436 -16.240 1.00 0.00 H new ATOM 0 HE ARG A 107 12.110 -0.158 -17.239 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.015 -2.821 -18.606 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.173 -2.784 -20.159 1.00 0.00 H new ATOM 0 HH21 ARG A 107 11.020 -0.112 -19.247 1.00 0.00 H new ATOM 0 HH22 ARG A 107 11.474 -1.247 -20.523 1.00 0.00 H new ATOM 1690 N TRP A 108 13.305 -1.392 -11.939 1.00 0.00 N ATOM 1691 CA TRP A 108 12.816 -2.342 -10.955 1.00 0.00 C ATOM 1692 C TRP A 108 12.102 -3.471 -11.702 1.00 0.00 C ATOM 1693 O TRP A 108 10.945 -3.328 -12.092 1.00 0.00 O ATOM 1694 CB TRP A 108 11.923 -1.651 -9.923 1.00 0.00 C ATOM 1695 CG TRP A 108 12.693 -0.862 -8.862 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.853 -0.206 -9.002 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.309 -0.674 -7.483 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.243 0.390 -7.820 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.274 0.096 -6.867 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.183 -1.138 -6.781 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.212 0.470 -5.519 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 11.136 -0.756 -5.435 1.00 0.00 C ATOM 1703 CH2 TRP A 108 12.099 0.019 -4.799 1.00 0.00 C ATOM 0 H TRP A 108 12.577 -0.930 -12.484 1.00 0.00 H new ATOM 0 HA TRP A 108 13.643 -2.768 -10.386 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.243 -0.975 -10.441 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.309 -2.403 -9.427 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.412 -0.151 -9.924 1.00 0.00 H new ATOM 0 HE1 TRP A 108 15.087 0.944 -7.673 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.415 -1.741 -7.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.981 1.074 -5.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.291 -1.087 -4.849 1.00 0.00 H new ATOM 0 HH2 TRP A 108 11.989 0.272 -3.755 1.00 0.00 H new ATOM 1714 N ASP A 109 12.823 -4.568 -11.878 1.00 0.00 N ATOM 1715 CA ASP A 109 12.274 -5.721 -12.571 1.00 0.00 C ATOM 1716 C ASP A 109 11.147 -6.326 -11.732 1.00 0.00 C ATOM 1717 O ASP A 109 10.376 -7.150 -12.223 1.00 0.00 O ATOM 1718 CB ASP A 109 13.340 -6.799 -12.778 1.00 0.00 C ATOM 1719 CG ASP A 109 14.341 -6.513 -13.898 1.00 0.00 C ATOM 1720 OD1 ASP A 109 13.873 -6.309 -15.039 1.00 0.00 O ATOM 1721 OD2 ASP A 109 15.552 -6.503 -13.589 1.00 0.00 O ATOM 0 H ASP A 109 13.783 -4.683 -11.553 1.00 0.00 H new ATOM 0 HA ASP A 109 11.906 -5.387 -13.541 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.889 -6.929 -11.845 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.842 -7.745 -12.990 1.00 0.00 H new ATOM 1726 N TYR A 110 11.085 -5.893 -10.482 1.00 0.00 N ATOM 1727 CA TYR A 110 10.065 -6.381 -9.570 1.00 0.00 C ATOM 1728 C TYR A 110 9.911 -5.447 -8.368 1.00 0.00 C ATOM 1729 O TYR A 110 10.851 -4.742 -8.001 1.00 0.00 O ATOM 1730 CB TYR A 110 10.554 -7.746 -9.081 1.00 0.00 C ATOM 1731 CG TYR A 110 10.795 -8.758 -10.202 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.743 -9.499 -10.701 1.00 0.00 C ATOM 1733 CD2 TYR A 110 12.065 -8.931 -10.715 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.970 -10.452 -11.757 1.00 0.00 C ATOM 1735 CE2 TYR A 110 12.292 -9.884 -11.770 1.00 0.00 C ATOM 1736 CZ TYR A 110 11.233 -10.598 -12.239 1.00 0.00 C ATOM 1737 OH TYR A 110 11.448 -11.498 -13.236 1.00 0.00 O ATOM 0 H TYR A 110 11.725 -5.209 -10.079 1.00 0.00 H new ATOM 0 HA TYR A 110 9.099 -6.438 -10.071 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.480 -7.610 -8.523 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.821 -8.156 -8.387 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.749 -9.364 -10.300 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.888 -8.351 -10.325 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.155 -11.037 -12.157 1.00 0.00 H new ATOM 0 HE2 TYR A 110 13.281 -10.029 -12.180 1.00 0.00 H new ATOM 0 HH TYR A 110 12.397 -11.494 -13.481 1.00 0.00 H new ATOM 1747 N LEU A 111 8.720 -5.472 -7.787 1.00 0.00 N ATOM 1748 CA LEU A 111 8.432 -4.636 -6.634 1.00 0.00 C ATOM 1749 C LEU A 111 9.275 -5.105 -5.447 1.00 0.00 C ATOM 1750 O LEU A 111 9.722 -4.292 -4.639 1.00 0.00 O ATOM 1751 CB LEU A 111 6.929 -4.615 -6.351 1.00 0.00 C ATOM 1752 CG LEU A 111 6.375 -3.314 -5.765 1.00 0.00 C ATOM 1753 CD1 LEU A 111 4.923 -3.489 -5.316 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.267 -2.798 -4.634 1.00 0.00 C ATOM 0 H LEU A 111 7.944 -6.058 -8.093 1.00 0.00 H new ATOM 0 HA LEU A 111 8.710 -3.601 -6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.401 -4.825 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.698 -5.428 -5.663 1.00 0.00 H new ATOM 0 HG LEU A 111 6.380 -2.557 -6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.554 -2.550 -4.904 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.310 -3.776 -6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.869 -4.266 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.851 -1.873 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.318 -3.544 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.269 -2.609 -5.019 1.00 0.00 H new ATOM 1766 N THR A 112 9.468 -6.414 -5.378 1.00 0.00 N ATOM 1767 CA THR A 112 10.250 -7.000 -4.303 1.00 0.00 C ATOM 1768 C THR A 112 11.174 -8.090 -4.849 1.00 0.00 C ATOM 1769 O THR A 112 10.874 -8.711 -5.867 1.00 0.00 O ATOM 1770 CB THR A 112 9.279 -7.506 -3.234 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.305 -8.242 -3.970 1.00 0.00 O ATOM 1772 CG2 THR A 112 8.479 -6.374 -2.587 1.00 0.00 C ATOM 0 H THR A 112 9.096 -7.086 -6.050 1.00 0.00 H new ATOM 0 HA THR A 112 10.907 -6.261 -3.843 1.00 0.00 H new ATOM 0 HB THR A 112 9.834 -8.044 -2.465 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.637 -8.608 -3.354 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.806 -6.787 -1.836 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.163 -5.670 -2.113 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.898 -5.857 -3.350 1.00 0.00 H new