USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 676 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 80 ASN : amide:sc= -4.65! C(o=-7.9!,f=-26!) USER MOD Set 1.2: A 83 MET CE :methyl -171:sc= -3.3! (180deg=-3.41!) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.435 X(o=-0.43,f=-0.61) USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 46:sc= 0.0311 USER MOD Single : A 17 GLN : amide:sc= -0.971 K(o=-0.97,f=-0.075) USER MOD Single : A 18 SER OG : rot 19:sc= 0.528 USER MOD Single : A 20 HIS : no HD1:sc= -0.3 X(o=-0.3,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -125:sc= -2.73! (180deg=-6.92!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00619 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 7:sc= 0.178 USER MOD Single : A 34 SER OG : rot 180:sc= -0.038 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 36:sc= 0.0666 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0166 USER MOD Single : A 52 LYS NZ :NH3+ 177:sc= 0.807 (180deg=0.801) USER MOD Single : A 54 THR OG1 : rot -60:sc= 1.18 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -102:sc= -0.0117 (180deg=-0.842) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -1.16 K(o=-1.2,f=-8!) USER MOD Single : A 73 ASN : amide:sc= -0.773 K(o=-0.77,f=0.16!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -168:sc=-0.00301 (180deg=-0.113) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.782 K(o=-0.78,f=-0.11) USER MOD Single : A 92 SER OG : rot 6:sc= 0.613 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.00295 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -17.116 -5.910 -14.282 1.00 0.00 N ATOM 160 CA LYS A 14 -16.443 -4.627 -14.120 1.00 0.00 C ATOM 161 C LYS A 14 -15.248 -4.516 -15.062 1.00 0.00 C ATOM 162 O LYS A 14 -14.989 -5.416 -15.861 1.00 0.00 O ATOM 163 CB LYS A 14 -15.983 -4.448 -12.672 1.00 0.00 C ATOM 164 CG LYS A 14 -17.077 -3.951 -11.743 1.00 0.00 C ATOM 165 CD LYS A 14 -17.942 -5.094 -11.238 1.00 0.00 C ATOM 166 CE LYS A 14 -18.505 -4.799 -9.856 1.00 0.00 C ATOM 167 NZ LYS A 14 -18.741 -6.045 -9.076 1.00 0.00 N ATOM 0 HA LYS A 14 -17.154 -3.839 -14.369 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.606 -5.400 -12.299 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.151 -3.745 -12.648 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.628 -3.432 -10.896 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.700 -3.227 -12.268 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -18.761 -5.268 -11.936 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.352 -6.010 -11.204 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.814 -4.155 -9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -19.441 -4.250 -9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -19.125 -5.802 -8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -19.420 -6.648 -9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.843 -6.557 -8.959 1.00 0.00 H new ATOM 181 N VAL A 15 -14.521 -3.408 -14.960 1.00 0.00 N ATOM 182 CA VAL A 15 -13.352 -3.181 -15.801 1.00 0.00 C ATOM 183 C VAL A 15 -12.166 -2.696 -14.974 1.00 0.00 C ATOM 184 O VAL A 15 -12.332 -1.951 -14.008 1.00 0.00 O ATOM 185 CB VAL A 15 -13.647 -2.152 -16.908 1.00 0.00 C ATOM 186 CG1 VAL A 15 -14.688 -2.693 -17.876 1.00 0.00 C ATOM 187 CG2 VAL A 15 -14.106 -0.834 -16.301 1.00 0.00 C ATOM 0 H VAL A 15 -14.721 -2.654 -14.303 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.104 -4.137 -16.262 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.728 -1.969 -17.465 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.884 -1.952 -18.651 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.317 -3.609 -18.335 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -15.611 -2.906 -17.336 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.310 -0.118 -17.097 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.013 -0.998 -15.719 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.324 -0.441 -15.651 1.00 0.00 H new ATOM 197 N THR A 16 -10.968 -3.122 -15.361 1.00 0.00 N ATOM 198 CA THR A 16 -9.754 -2.732 -14.655 1.00 0.00 C ATOM 199 C THR A 16 -9.081 -1.545 -15.335 1.00 0.00 C ATOM 200 O THR A 16 -8.866 -1.552 -16.546 1.00 0.00 O ATOM 201 CB THR A 16 -8.751 -3.899 -14.575 1.00 0.00 C ATOM 202 OG1 THR A 16 -8.597 -4.502 -15.865 1.00 0.00 O ATOM 203 CG2 THR A 16 -9.217 -4.945 -13.573 1.00 0.00 C ATOM 0 H THR A 16 -10.812 -3.737 -16.160 1.00 0.00 H new ATOM 0 HA THR A 16 -10.052 -2.449 -13.646 1.00 0.00 H new ATOM 0 HB THR A 16 -7.791 -3.503 -14.243 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.481 -3.802 -16.541 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.493 -5.759 -13.534 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.305 -4.490 -12.586 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.187 -5.336 -13.880 1.00 0.00 H new ATOM 211 N GLN A 17 -8.750 -0.527 -14.546 1.00 0.00 N ATOM 212 CA GLN A 17 -8.101 0.667 -15.073 1.00 0.00 C ATOM 213 C GLN A 17 -6.686 0.806 -14.522 1.00 0.00 C ATOM 214 O GLN A 17 -6.487 0.890 -13.310 1.00 0.00 O ATOM 215 CB GLN A 17 -8.920 1.913 -14.728 1.00 0.00 C ATOM 216 CG GLN A 17 -8.927 2.245 -13.244 1.00 0.00 C ATOM 217 CD GLN A 17 -9.895 3.359 -12.900 1.00 0.00 C ATOM 218 OE1 GLN A 17 -9.662 4.523 -13.227 1.00 0.00 O ATOM 219 NE2 GLN A 17 -10.991 3.008 -12.237 1.00 0.00 N ATOM 0 H GLN A 17 -8.921 -0.506 -13.541 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.041 0.569 -16.157 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.521 2.764 -15.280 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.947 1.767 -15.064 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.190 1.352 -12.677 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.922 2.534 -12.935 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.144 2.031 -11.986 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.679 3.715 -11.979 1.00 0.00 H new ATOM 228 N SER A 18 -5.706 0.830 -15.419 1.00 0.00 N ATOM 229 CA SER A 18 -4.309 0.954 -15.022 1.00 0.00 C ATOM 230 C SER A 18 -3.964 2.404 -14.695 1.00 0.00 C ATOM 231 O SER A 18 -4.092 3.289 -15.541 1.00 0.00 O ATOM 232 CB SER A 18 -3.393 0.438 -16.134 1.00 0.00 C ATOM 233 OG SER A 18 -3.437 1.289 -17.266 1.00 0.00 O ATOM 0 H SER A 18 -5.854 0.765 -16.426 1.00 0.00 H new ATOM 0 HA SER A 18 -4.156 0.352 -14.127 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.370 0.371 -15.765 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.695 -0.569 -16.420 1.00 0.00 H new ATOM 0 HG SER A 18 -3.796 2.163 -17.005 1.00 0.00 H new ATOM 239 N ILE A 19 -3.526 2.637 -13.463 1.00 0.00 N ATOM 240 CA ILE A 19 -3.161 3.978 -13.023 1.00 0.00 C ATOM 241 C ILE A 19 -1.699 4.038 -12.593 1.00 0.00 C ATOM 242 O ILE A 19 -1.337 3.559 -11.518 1.00 0.00 O ATOM 243 CB ILE A 19 -4.048 4.449 -11.855 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.527 4.304 -12.218 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.725 5.890 -11.492 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.431 4.144 -11.016 1.00 0.00 C ATOM 0 H ILE A 19 -3.415 1.915 -12.751 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.314 4.641 -13.875 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.843 3.822 -10.987 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.841 5.180 -12.785 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.649 3.441 -12.872 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.360 6.208 -10.665 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.679 5.965 -11.196 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.904 6.532 -12.355 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.465 4.047 -11.348 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.143 3.252 -10.460 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.338 5.018 -10.372 1.00 0.00 H new ATOM 258 N HIS A 20 -0.863 4.630 -13.440 1.00 0.00 N ATOM 259 CA HIS A 20 0.561 4.755 -13.146 1.00 0.00 C ATOM 260 C HIS A 20 0.891 6.158 -12.645 1.00 0.00 C ATOM 261 O HIS A 20 0.672 7.145 -13.348 1.00 0.00 O ATOM 262 CB HIS A 20 1.389 4.437 -14.391 1.00 0.00 C ATOM 263 CG HIS A 20 1.116 3.079 -14.962 1.00 0.00 C ATOM 264 ND1 HIS A 20 0.305 2.873 -16.057 1.00 0.00 N ATOM 265 CD2 HIS A 20 1.553 1.855 -14.583 1.00 0.00 C ATOM 266 CE1 HIS A 20 0.253 1.580 -16.327 1.00 0.00 C ATOM 267 NE2 HIS A 20 1.003 0.941 -15.447 1.00 0.00 N ATOM 0 H HIS A 20 -1.146 5.030 -14.334 1.00 0.00 H new ATOM 0 HA HIS A 20 0.810 4.041 -12.361 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.187 5.190 -15.153 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.448 4.511 -14.142 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.212 1.638 -13.755 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.307 1.124 -17.130 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.150 -0.068 -15.415 1.00 0.00 H new ATOM 276 N ILE A 21 1.418 6.237 -11.428 1.00 0.00 N ATOM 277 CA ILE A 21 1.779 7.519 -10.835 1.00 0.00 C ATOM 278 C ILE A 21 3.284 7.751 -10.901 1.00 0.00 C ATOM 279 O ILE A 21 4.064 6.995 -10.323 1.00 0.00 O ATOM 280 CB ILE A 21 1.321 7.608 -9.367 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.189 7.383 -9.266 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.701 8.957 -8.775 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.672 7.144 -7.853 1.00 0.00 C ATOM 0 H ILE A 21 1.604 5.429 -10.834 1.00 0.00 H new ATOM 0 HA ILE A 21 1.270 8.289 -11.414 1.00 0.00 H new ATOM 0 HB ILE A 21 1.825 6.827 -8.797 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.706 8.251 -9.676 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.463 6.528 -9.884 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.371 9.005 -7.737 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.783 9.081 -8.818 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.222 9.753 -9.345 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.751 6.993 -7.858 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.183 6.259 -7.446 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.430 8.008 -7.235 1.00 0.00 H new ATOM 295 N GLU A 22 3.685 8.803 -11.608 1.00 0.00 N ATOM 296 CA GLU A 22 5.098 9.135 -11.748 1.00 0.00 C ATOM 297 C GLU A 22 5.418 10.454 -11.051 1.00 0.00 C ATOM 298 O GLU A 22 4.648 11.412 -11.123 1.00 0.00 O ATOM 299 CB GLU A 22 5.480 9.222 -13.228 1.00 0.00 C ATOM 300 CG GLU A 22 6.932 8.870 -13.503 1.00 0.00 C ATOM 301 CD GLU A 22 7.441 9.467 -14.800 1.00 0.00 C ATOM 302 OE1 GLU A 22 6.883 9.135 -15.866 1.00 0.00 O ATOM 303 OE2 GLU A 22 8.398 10.268 -14.748 1.00 0.00 O ATOM 0 H GLU A 22 3.052 9.439 -12.092 1.00 0.00 H new ATOM 0 HA GLU A 22 5.680 8.343 -11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.838 8.552 -13.800 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.286 10.233 -13.586 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.550 9.223 -12.678 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.038 7.786 -13.540 1.00 0.00 H new ATOM 310 N LYS A 23 6.562 10.497 -10.375 1.00 0.00 N ATOM 311 CA LYS A 23 6.987 11.697 -9.665 1.00 0.00 C ATOM 312 C LYS A 23 8.251 12.280 -10.289 1.00 0.00 C ATOM 313 O LYS A 23 9.086 11.548 -10.821 1.00 0.00 O ATOM 314 CB LYS A 23 7.234 11.379 -8.188 1.00 0.00 C ATOM 315 CG LYS A 23 6.060 10.699 -7.507 1.00 0.00 C ATOM 316 CD LYS A 23 5.999 11.039 -6.027 1.00 0.00 C ATOM 317 CE LYS A 23 5.283 12.359 -5.788 1.00 0.00 C ATOM 318 NZ LYS A 23 3.819 12.168 -5.591 1.00 0.00 N ATOM 0 H LYS A 23 7.211 9.714 -10.304 1.00 0.00 H new ATOM 0 HA LYS A 23 6.190 12.437 -9.743 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.112 10.738 -8.105 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.463 12.304 -7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.132 11.004 -7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.143 9.619 -7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.484 10.242 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.010 11.094 -5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.707 12.848 -4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.452 13.023 -6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.297 12.758 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.576 11.168 -5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.560 12.444 -4.622 1.00 0.00 H new ATOM 332 N SER A 24 8.385 13.600 -10.220 1.00 0.00 N ATOM 333 CA SER A 24 9.546 14.281 -10.780 1.00 0.00 C ATOM 334 C SER A 24 10.768 14.098 -9.886 1.00 0.00 C ATOM 335 O SER A 24 11.808 13.612 -10.329 1.00 0.00 O ATOM 336 CB SER A 24 9.251 15.772 -10.961 1.00 0.00 C ATOM 337 OG SER A 24 8.778 16.348 -9.756 1.00 0.00 O ATOM 0 H SER A 24 7.704 14.220 -9.782 1.00 0.00 H new ATOM 0 HA SER A 24 9.761 13.839 -11.753 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.155 16.288 -11.284 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.509 15.906 -11.748 1.00 0.00 H new ATOM 0 HG SER A 24 8.599 17.301 -9.897 1.00 0.00 H new ATOM 343 N ASP A 25 10.633 14.490 -8.623 1.00 0.00 N ATOM 344 CA ASP A 25 11.725 14.368 -7.664 1.00 0.00 C ATOM 345 C ASP A 25 11.227 13.787 -6.345 1.00 0.00 C ATOM 346 O ASP A 25 10.611 14.485 -5.539 1.00 0.00 O ATOM 347 CB ASP A 25 12.374 15.731 -7.423 1.00 0.00 C ATOM 348 CG ASP A 25 12.672 16.468 -8.714 1.00 0.00 C ATOM 349 OD1 ASP A 25 13.514 15.978 -9.496 1.00 0.00 O ATOM 350 OD2 ASP A 25 12.063 17.533 -8.943 1.00 0.00 O ATOM 0 H ASP A 25 9.779 14.895 -8.240 1.00 0.00 H new ATOM 0 HA ASP A 25 12.469 13.689 -8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.714 16.340 -6.805 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.300 15.595 -6.864 1.00 0.00 H new ATOM 355 N THR A 26 11.496 12.502 -6.130 1.00 0.00 N ATOM 356 CA THR A 26 11.074 11.826 -4.910 1.00 0.00 C ATOM 357 C THR A 26 11.541 12.583 -3.672 1.00 0.00 C ATOM 358 O THR A 26 10.787 12.750 -2.714 1.00 0.00 O ATOM 359 CB THR A 26 11.613 10.385 -4.851 1.00 0.00 C ATOM 360 OG1 THR A 26 13.044 10.394 -4.922 1.00 0.00 O ATOM 361 CG2 THR A 26 11.049 9.549 -5.990 1.00 0.00 C ATOM 0 H THR A 26 12.005 11.909 -6.786 1.00 0.00 H new ATOM 0 HA THR A 26 9.984 11.798 -4.925 1.00 0.00 H new ATOM 0 HB THR A 26 11.299 9.941 -3.906 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.379 9.474 -4.882 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.444 8.535 -5.927 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.962 9.520 -5.916 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.336 9.992 -6.944 1.00 0.00 H new ATOM 369 N ALA A 27 12.789 13.040 -3.699 1.00 0.00 N ATOM 370 CA ALA A 27 13.355 13.781 -2.580 1.00 0.00 C ATOM 371 C ALA A 27 12.297 14.644 -1.901 1.00 0.00 C ATOM 372 O ALA A 27 11.947 14.416 -0.743 1.00 0.00 O ATOM 373 CB ALA A 27 14.517 14.643 -3.052 1.00 0.00 C ATOM 0 H ALA A 27 13.427 12.910 -4.484 1.00 0.00 H new ATOM 0 HA ALA A 27 13.723 13.061 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.931 15.191 -2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.289 14.007 -3.485 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.164 15.349 -3.804 1.00 0.00 H new ATOM 379 N ALA A 28 11.791 15.634 -2.628 1.00 0.00 N ATOM 380 CA ALA A 28 10.771 16.530 -2.096 1.00 0.00 C ATOM 381 C ALA A 28 9.371 15.984 -2.356 1.00 0.00 C ATOM 382 O ALA A 28 8.639 15.656 -1.423 1.00 0.00 O ATOM 383 CB ALA A 28 10.920 17.918 -2.701 1.00 0.00 C ATOM 0 H ALA A 28 12.071 15.836 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 28 10.910 16.600 -1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.152 18.576 -2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.905 18.317 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.810 17.857 -3.784 1.00 0.00 H new ATOM 389 N ASP A 29 9.006 15.890 -3.630 1.00 0.00 N ATOM 390 CA ASP A 29 7.693 15.384 -4.013 1.00 0.00 C ATOM 391 C ASP A 29 7.508 13.944 -3.545 1.00 0.00 C ATOM 392 O ASP A 29 8.383 13.099 -3.737 1.00 0.00 O ATOM 393 CB ASP A 29 7.514 15.467 -5.530 1.00 0.00 C ATOM 394 CG ASP A 29 6.992 16.817 -5.979 1.00 0.00 C ATOM 395 OD1 ASP A 29 7.581 17.843 -5.579 1.00 0.00 O ATOM 396 OD2 ASP A 29 5.993 16.849 -6.729 1.00 0.00 O ATOM 0 H ASP A 29 9.600 16.157 -4.415 1.00 0.00 H new ATOM 0 HA ASP A 29 6.937 16.004 -3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.469 15.270 -6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.824 14.688 -5.855 1.00 0.00 H new ATOM 401 N THR A 30 6.363 13.670 -2.928 1.00 0.00 N ATOM 402 CA THR A 30 6.063 12.334 -2.429 1.00 0.00 C ATOM 403 C THR A 30 4.559 12.091 -2.376 1.00 0.00 C ATOM 404 O THR A 30 3.799 12.942 -1.914 1.00 0.00 O ATOM 405 CB THR A 30 6.658 12.111 -1.026 1.00 0.00 C ATOM 406 OG1 THR A 30 6.324 10.801 -0.554 1.00 0.00 O ATOM 407 CG2 THR A 30 6.140 13.155 -0.047 1.00 0.00 C ATOM 0 H THR A 30 5.627 14.357 -2.762 1.00 0.00 H new ATOM 0 HA THR A 30 6.518 11.628 -3.124 1.00 0.00 H new ATOM 0 HB THR A 30 7.742 12.206 -1.096 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.708 10.667 0.338 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.574 12.978 0.937 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.421 14.150 -0.393 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.054 13.086 0.017 1.00 0.00 H new ATOM 415 N TYR A 31 4.136 10.925 -2.851 1.00 0.00 N ATOM 416 CA TYR A 31 2.722 10.571 -2.859 1.00 0.00 C ATOM 417 C TYR A 31 2.067 10.914 -1.525 1.00 0.00 C ATOM 418 O TYR A 31 2.748 11.169 -0.533 1.00 0.00 O ATOM 419 CB TYR A 31 2.549 9.080 -3.156 1.00 0.00 C ATOM 420 CG TYR A 31 3.478 8.565 -4.232 1.00 0.00 C ATOM 421 CD1 TYR A 31 3.341 8.978 -5.552 1.00 0.00 C ATOM 422 CD2 TYR A 31 4.494 7.667 -3.929 1.00 0.00 C ATOM 423 CE1 TYR A 31 4.187 8.510 -6.538 1.00 0.00 C ATOM 424 CE2 TYR A 31 5.346 7.194 -4.909 1.00 0.00 C ATOM 425 CZ TYR A 31 5.188 7.618 -6.212 1.00 0.00 C ATOM 426 OH TYR A 31 6.034 7.151 -7.191 1.00 0.00 O ATOM 0 H TYR A 31 4.752 10.209 -3.236 1.00 0.00 H new ATOM 0 HA TYR A 31 2.234 11.150 -3.643 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.718 8.514 -2.240 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.518 8.896 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.559 9.677 -5.811 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.620 7.333 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.066 8.840 -7.559 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.131 6.497 -4.656 1.00 0.00 H new ATOM 0 HH TYR A 31 5.865 7.634 -8.027 1.00 0.00 H new ATOM 436 N GLY A 32 0.737 10.918 -1.510 1.00 0.00 N ATOM 437 CA GLY A 32 0.010 11.231 -0.293 1.00 0.00 C ATOM 438 C GLY A 32 -1.142 10.278 -0.045 1.00 0.00 C ATOM 439 O GLY A 32 -2.043 10.573 0.741 1.00 0.00 O ATOM 0 H GLY A 32 0.151 10.710 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.695 11.197 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.372 12.250 -0.353 1.00 0.00 H new ATOM 443 N PHE A 33 -1.114 9.131 -0.717 1.00 0.00 N ATOM 444 CA PHE A 33 -2.166 8.132 -0.567 1.00 0.00 C ATOM 445 C PHE A 33 -1.648 6.905 0.177 1.00 0.00 C ATOM 446 O PHE A 33 -0.505 6.487 -0.013 1.00 0.00 O ATOM 447 CB PHE A 33 -2.708 7.722 -1.937 1.00 0.00 C ATOM 448 CG PHE A 33 -1.977 6.560 -2.547 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.621 6.643 -2.821 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.646 5.384 -2.846 1.00 0.00 C ATOM 451 CE1 PHE A 33 0.053 5.576 -3.383 1.00 0.00 C ATOM 452 CE2 PHE A 33 -1.977 4.312 -3.408 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.625 4.409 -3.675 1.00 0.00 C ATOM 0 H PHE A 33 -0.375 8.871 -1.370 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.973 8.575 0.017 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.763 7.467 -1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.647 8.575 -2.613 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.085 7.552 -2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.703 5.304 -2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.109 5.655 -3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.510 3.401 -3.638 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.099 3.573 -4.112 1.00 0.00 H new ATOM 463 N SER A 34 -2.496 6.331 1.024 1.00 0.00 N ATOM 464 CA SER A 34 -2.123 5.154 1.800 1.00 0.00 C ATOM 465 C SER A 34 -3.174 4.057 1.661 1.00 0.00 C ATOM 466 O SER A 34 -4.325 4.323 1.309 1.00 0.00 O ATOM 467 CB SER A 34 -1.947 5.523 3.274 1.00 0.00 C ATOM 468 OG SER A 34 -1.568 4.394 4.041 1.00 0.00 O ATOM 0 H SER A 34 -3.446 6.662 1.190 1.00 0.00 H new ATOM 0 HA SER A 34 -1.176 4.778 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.190 6.302 3.369 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.878 5.934 3.663 1.00 0.00 H new ATOM 0 HG SER A 34 -1.460 4.657 4.979 1.00 0.00 H new ATOM 474 N LEU A 35 -2.772 2.822 1.939 1.00 0.00 N ATOM 475 CA LEU A 35 -3.678 1.682 1.846 1.00 0.00 C ATOM 476 C LEU A 35 -3.883 1.037 3.213 1.00 0.00 C ATOM 477 O LEU A 35 -3.003 1.088 4.073 1.00 0.00 O ATOM 478 CB LEU A 35 -3.131 0.650 0.859 1.00 0.00 C ATOM 479 CG LEU A 35 -2.872 1.152 -0.562 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.730 0.379 -1.202 1.00 0.00 C ATOM 481 CD2 LEU A 35 -4.133 1.040 -1.406 1.00 0.00 C ATOM 0 H LEU A 35 -1.824 2.584 2.231 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.642 2.043 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.198 0.254 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.834 -0.181 0.807 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.587 2.203 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.561 0.750 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.824 0.511 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.985 -0.680 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.930 1.402 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.449 -0.002 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.925 1.640 -0.958 1.00 0.00 H new ATOM 493 N SER A 36 -5.048 0.428 3.405 1.00 0.00 N ATOM 494 CA SER A 36 -5.369 -0.227 4.668 1.00 0.00 C ATOM 495 C SER A 36 -5.628 -1.716 4.457 1.00 0.00 C ATOM 496 O SER A 36 -6.488 -2.102 3.665 1.00 0.00 O ATOM 497 CB SER A 36 -6.593 0.429 5.310 1.00 0.00 C ATOM 498 OG SER A 36 -6.872 -0.142 6.577 1.00 0.00 O ATOM 0 H SER A 36 -5.786 0.374 2.703 1.00 0.00 H new ATOM 0 HA SER A 36 -4.514 -0.115 5.335 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.420 1.500 5.420 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.457 0.311 4.656 1.00 0.00 H new ATOM 0 HG SER A 36 -7.657 0.295 6.967 1.00 0.00 H new ATOM 504 N SER A 37 -4.878 -2.548 5.173 1.00 0.00 N ATOM 505 CA SER A 37 -5.023 -3.995 5.062 1.00 0.00 C ATOM 506 C SER A 37 -6.169 -4.494 5.936 1.00 0.00 C ATOM 507 O SER A 37 -6.221 -4.213 7.133 1.00 0.00 O ATOM 508 CB SER A 37 -3.720 -4.690 5.463 1.00 0.00 C ATOM 509 OG SER A 37 -3.284 -4.259 6.740 1.00 0.00 O ATOM 0 H SER A 37 -4.164 -2.245 5.836 1.00 0.00 H new ATOM 0 HA SER A 37 -5.250 -4.235 4.023 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.868 -5.770 5.471 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.949 -4.479 4.722 1.00 0.00 H new ATOM 0 HG SER A 37 -4.061 -4.107 7.317 1.00 0.00 H new ATOM 515 N VAL A 38 -7.088 -5.238 5.327 1.00 0.00 N ATOM 516 CA VAL A 38 -8.234 -5.779 6.048 1.00 0.00 C ATOM 517 C VAL A 38 -8.444 -7.252 5.720 1.00 0.00 C ATOM 518 O VAL A 38 -8.655 -7.616 4.564 1.00 0.00 O ATOM 519 CB VAL A 38 -9.522 -5.001 5.718 1.00 0.00 C ATOM 520 CG1 VAL A 38 -10.692 -5.537 6.529 1.00 0.00 C ATOM 521 CG2 VAL A 38 -9.326 -3.514 5.970 1.00 0.00 C ATOM 0 H VAL A 38 -7.061 -5.479 4.336 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.018 -5.675 7.111 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.749 -5.140 4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.593 -4.975 6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.845 -6.590 6.294 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.477 -5.430 7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.246 -2.980 5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.074 -3.353 7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.517 -3.142 5.341 1.00 0.00 H new ATOM 531 N GLU A 39 -8.386 -8.096 6.746 1.00 0.00 N ATOM 532 CA GLU A 39 -8.570 -9.531 6.565 1.00 0.00 C ATOM 533 C GLU A 39 -10.020 -9.930 6.823 1.00 0.00 C ATOM 534 O GLU A 39 -10.578 -9.632 7.878 1.00 0.00 O ATOM 535 CB GLU A 39 -7.642 -10.309 7.500 1.00 0.00 C ATOM 536 CG GLU A 39 -7.347 -11.722 7.028 1.00 0.00 C ATOM 537 CD GLU A 39 -8.355 -12.732 7.543 1.00 0.00 C ATOM 538 OE1 GLU A 39 -9.570 -12.464 7.439 1.00 0.00 O ATOM 539 OE2 GLU A 39 -7.927 -13.790 8.050 1.00 0.00 O ATOM 0 H GLU A 39 -8.213 -7.811 7.710 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.322 -9.776 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.703 -9.765 7.601 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.093 -10.353 8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.341 -11.743 5.938 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.349 -12.010 7.358 1.00 0.00 H new ATOM 546 N GLU A 40 -10.623 -10.607 5.850 1.00 0.00 N ATOM 547 CA GLU A 40 -12.009 -11.045 5.971 1.00 0.00 C ATOM 548 C GLU A 40 -12.161 -12.496 5.523 1.00 0.00 C ATOM 549 O GLU A 40 -12.158 -12.792 4.328 1.00 0.00 O ATOM 550 CB GLU A 40 -12.927 -10.145 5.142 1.00 0.00 C ATOM 551 CG GLU A 40 -14.329 -10.015 5.712 1.00 0.00 C ATOM 552 CD GLU A 40 -15.018 -11.355 5.878 1.00 0.00 C ATOM 553 OE1 GLU A 40 -15.487 -11.910 4.862 1.00 0.00 O ATOM 554 OE2 GLU A 40 -15.088 -11.849 7.023 1.00 0.00 O ATOM 0 H GLU A 40 -10.174 -10.864 4.971 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.295 -10.974 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.480 -9.153 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.991 -10.541 4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.279 -9.514 6.679 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -14.927 -9.382 5.056 1.00 0.00 H new ATOM 561 N ASP A 41 -12.294 -13.397 6.491 1.00 0.00 N ATOM 562 CA ASP A 41 -12.448 -14.817 6.197 1.00 0.00 C ATOM 563 C ASP A 41 -11.165 -15.391 5.604 1.00 0.00 C ATOM 564 O ASP A 41 -11.206 -16.280 4.754 1.00 0.00 O ATOM 565 CB ASP A 41 -13.614 -15.037 5.232 1.00 0.00 C ATOM 566 CG ASP A 41 -14.128 -16.462 5.261 1.00 0.00 C ATOM 567 OD1 ASP A 41 -14.901 -16.796 6.184 1.00 0.00 O ATOM 568 OD2 ASP A 41 -13.760 -17.244 4.360 1.00 0.00 O ATOM 0 H ASP A 41 -12.298 -13.169 7.485 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.659 -15.336 7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.426 -14.356 5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.296 -14.789 4.219 1.00 0.00 H new ATOM 573 N GLY A 42 -10.026 -14.877 6.059 1.00 0.00 N ATOM 574 CA GLY A 42 -8.748 -15.350 5.561 1.00 0.00 C ATOM 575 C GLY A 42 -8.258 -14.551 4.370 1.00 0.00 C ATOM 576 O GLY A 42 -7.057 -14.501 4.100 1.00 0.00 O ATOM 0 H GLY A 42 -9.966 -14.142 6.763 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.008 -15.297 6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.837 -16.399 5.279 1.00 0.00 H new ATOM 580 N ILE A 43 -9.188 -13.927 3.655 1.00 0.00 N ATOM 581 CA ILE A 43 -8.843 -13.127 2.486 1.00 0.00 C ATOM 582 C ILE A 43 -8.394 -11.727 2.891 1.00 0.00 C ATOM 583 O ILE A 43 -9.199 -10.911 3.339 1.00 0.00 O ATOM 584 CB ILE A 43 -10.031 -13.012 1.513 1.00 0.00 C ATOM 585 CG1 ILE A 43 -10.482 -14.401 1.057 1.00 0.00 C ATOM 586 CG2 ILE A 43 -9.654 -12.152 0.316 1.00 0.00 C ATOM 587 CD1 ILE A 43 -11.912 -14.440 0.563 1.00 0.00 C ATOM 0 H ILE A 43 -10.186 -13.960 3.864 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.021 -13.638 1.985 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.861 -12.534 2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.822 -14.746 0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.373 -15.100 1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.504 -12.080 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.377 -11.155 0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.810 -12.604 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -12.163 -15.455 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.582 -14.126 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -12.022 -13.766 -0.287 1.00 0.00 H new ATOM 599 N ARG A 44 -7.103 -11.456 2.727 1.00 0.00 N ATOM 600 CA ARG A 44 -6.546 -10.154 3.075 1.00 0.00 C ATOM 601 C ARG A 44 -6.678 -9.178 1.910 1.00 0.00 C ATOM 602 O ARG A 44 -6.013 -9.326 0.884 1.00 0.00 O ATOM 603 CB ARG A 44 -5.076 -10.295 3.473 1.00 0.00 C ATOM 604 CG ARG A 44 -4.497 -9.046 4.118 1.00 0.00 C ATOM 605 CD ARG A 44 -3.908 -8.104 3.079 1.00 0.00 C ATOM 606 NE ARG A 44 -2.826 -7.292 3.628 1.00 0.00 N ATOM 607 CZ ARG A 44 -1.672 -7.794 4.052 1.00 0.00 C ATOM 608 NH1 ARG A 44 -1.452 -9.100 3.990 1.00 0.00 N ATOM 609 NH2 ARG A 44 -0.736 -6.990 4.539 1.00 0.00 N ATOM 0 H ARG A 44 -6.424 -12.120 2.356 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.108 -9.760 3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.974 -11.131 4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.490 -10.541 2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.277 -8.530 4.678 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.725 -9.329 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.534 -8.683 2.235 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.692 -7.451 2.695 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.964 -6.283 3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.170 -9.721 3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.565 -9.484 4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.902 -5.985 4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.150 -7.377 4.864 1.00 0.00 H new ATOM 623 N ARG A 45 -7.541 -8.181 2.075 1.00 0.00 N ATOM 624 CA ARG A 45 -7.761 -7.181 1.036 1.00 0.00 C ATOM 625 C ARG A 45 -7.189 -5.830 1.452 1.00 0.00 C ATOM 626 O ARG A 45 -6.760 -5.649 2.593 1.00 0.00 O ATOM 627 CB ARG A 45 -9.256 -7.045 0.739 1.00 0.00 C ATOM 628 CG ARG A 45 -9.832 -8.216 -0.039 1.00 0.00 C ATOM 629 CD ARG A 45 -11.294 -7.988 -0.389 1.00 0.00 C ATOM 630 NE ARG A 45 -11.940 -9.208 -0.863 1.00 0.00 N ATOM 631 CZ ARG A 45 -13.257 -9.383 -0.883 1.00 0.00 C ATOM 632 NH1 ARG A 45 -14.063 -8.420 -0.457 1.00 0.00 N ATOM 633 NH2 ARG A 45 -13.770 -10.522 -1.330 1.00 0.00 N ATOM 0 H ARG A 45 -8.099 -8.044 2.918 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.246 -7.511 0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.797 -6.944 1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.424 -6.128 0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.257 -8.365 -0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.736 -9.128 0.550 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.823 -7.615 0.488 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.367 -7.218 -1.157 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.348 -9.968 -1.197 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.672 -7.543 -0.113 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.074 -8.556 -0.473 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.153 -11.265 -1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.781 -10.655 -1.345 1.00 0.00 H new ATOM 647 N LEU A 46 -7.184 -4.883 0.521 1.00 0.00 N ATOM 648 CA LEU A 46 -6.664 -3.547 0.790 1.00 0.00 C ATOM 649 C LEU A 46 -7.581 -2.477 0.205 1.00 0.00 C ATOM 650 O LEU A 46 -8.351 -2.742 -0.718 1.00 0.00 O ATOM 651 CB LEU A 46 -5.256 -3.400 0.211 1.00 0.00 C ATOM 652 CG LEU A 46 -4.132 -4.074 0.999 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.894 -5.486 0.488 1.00 0.00 C ATOM 654 CD2 LEU A 46 -2.855 -3.251 0.915 1.00 0.00 C ATOM 0 H LEU A 46 -7.534 -5.015 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.622 -3.412 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.257 -3.805 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.028 -2.337 0.128 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.433 -4.135 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.091 -5.950 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.806 -6.072 0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.615 -5.450 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.066 -3.745 1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.550 -3.158 -0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.033 -2.259 1.331 1.00 0.00 H new ATOM 666 N TYR A 47 -7.492 -1.268 0.747 1.00 0.00 N ATOM 667 CA TYR A 47 -8.313 -0.158 0.280 1.00 0.00 C ATOM 668 C TYR A 47 -7.597 1.174 0.483 1.00 0.00 C ATOM 669 O TYR A 47 -6.860 1.354 1.453 1.00 0.00 O ATOM 670 CB TYR A 47 -9.656 -0.145 1.013 1.00 0.00 C ATOM 671 CG TYR A 47 -10.325 -1.500 1.074 1.00 0.00 C ATOM 672 CD1 TYR A 47 -11.041 -1.992 -0.010 1.00 0.00 C ATOM 673 CD2 TYR A 47 -10.240 -2.287 2.216 1.00 0.00 C ATOM 674 CE1 TYR A 47 -11.655 -3.229 0.042 1.00 0.00 C ATOM 675 CE2 TYR A 47 -10.849 -3.526 2.276 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.556 -3.992 1.187 1.00 0.00 C ATOM 677 OH TYR A 47 -12.164 -5.225 1.243 1.00 0.00 O ATOM 0 H TYR A 47 -6.859 -1.032 1.511 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.490 -0.295 -0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.503 0.221 2.028 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.324 0.559 0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.119 -1.398 -0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.689 -1.924 3.071 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.209 -3.596 -0.809 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.772 -4.126 3.171 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.997 -5.633 2.118 1.00 0.00 H new ATOM 687 N VAL A 48 -7.821 2.106 -0.438 1.00 0.00 N ATOM 688 CA VAL A 48 -7.199 3.422 -0.360 1.00 0.00 C ATOM 689 C VAL A 48 -7.698 4.194 0.857 1.00 0.00 C ATOM 690 O VAL A 48 -8.800 4.740 0.849 1.00 0.00 O ATOM 691 CB VAL A 48 -7.477 4.250 -1.629 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.809 5.613 -1.534 1.00 0.00 C ATOM 693 CG2 VAL A 48 -7.007 3.501 -2.867 1.00 0.00 C ATOM 0 H VAL A 48 -8.429 1.974 -1.247 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.125 3.260 -0.269 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.553 4.405 -1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.016 6.184 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.199 6.150 -0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.732 5.484 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.211 4.100 -3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.936 3.314 -2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.537 2.551 -2.941 1.00 0.00 H new ATOM 703 N ASN A 49 -6.877 4.236 1.901 1.00 0.00 N ATOM 704 CA ASN A 49 -7.235 4.942 3.126 1.00 0.00 C ATOM 705 C ASN A 49 -7.370 6.440 2.872 1.00 0.00 C ATOM 706 O ASN A 49 -8.447 7.013 3.034 1.00 0.00 O ATOM 707 CB ASN A 49 -6.184 4.690 4.210 1.00 0.00 C ATOM 708 CG ASN A 49 -6.173 5.776 5.268 1.00 0.00 C ATOM 709 OD1 ASN A 49 -7.222 6.179 5.771 1.00 0.00 O ATOM 710 ND2 ASN A 49 -4.983 6.257 5.609 1.00 0.00 N ATOM 0 H ASN A 49 -5.960 3.790 1.924 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.198 4.561 3.466 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.378 3.727 4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.198 4.626 3.749 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.912 6.990 6.314 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.140 5.893 5.166 1.00 0.00 H new ATOM 717 N SER A 50 -6.269 7.068 2.471 1.00 0.00 N ATOM 718 CA SER A 50 -6.263 8.500 2.197 1.00 0.00 C ATOM 719 C SER A 50 -5.672 8.787 0.820 1.00 0.00 C ATOM 720 O SER A 50 -5.057 7.918 0.202 1.00 0.00 O ATOM 721 CB SER A 50 -5.467 9.243 3.271 1.00 0.00 C ATOM 722 OG SER A 50 -6.133 9.201 4.521 1.00 0.00 O ATOM 0 H SER A 50 -5.370 6.608 2.329 1.00 0.00 H new ATOM 0 HA SER A 50 -7.295 8.852 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.477 8.797 3.368 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.321 10.280 2.968 1.00 0.00 H new ATOM 0 HG SER A 50 -5.603 9.682 5.191 1.00 0.00 H new ATOM 728 N VAL A 51 -5.864 10.013 0.344 1.00 0.00 N ATOM 729 CA VAL A 51 -5.350 10.417 -0.959 1.00 0.00 C ATOM 730 C VAL A 51 -4.566 11.720 -0.861 1.00 0.00 C ATOM 731 O VAL A 51 -4.864 12.577 -0.029 1.00 0.00 O ATOM 732 CB VAL A 51 -6.489 10.592 -1.982 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.939 11.073 -3.316 1.00 0.00 C ATOM 734 CG2 VAL A 51 -7.258 9.291 -2.151 1.00 0.00 C ATOM 0 H VAL A 51 -6.372 10.744 0.842 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.686 9.622 -1.297 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.178 11.348 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.758 11.191 -4.026 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.437 12.031 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.227 10.342 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.059 9.433 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.582 8.512 -2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.685 8.994 -1.193 1.00 0.00 H new ATOM 744 N LYS A 52 -3.560 11.865 -1.717 1.00 0.00 N ATOM 745 CA LYS A 52 -2.731 13.065 -1.729 1.00 0.00 C ATOM 746 C LYS A 52 -3.577 14.307 -1.987 1.00 0.00 C ATOM 747 O LYS A 52 -4.314 14.374 -2.970 1.00 0.00 O ATOM 748 CB LYS A 52 -1.641 12.946 -2.796 1.00 0.00 C ATOM 749 CG LYS A 52 -0.537 13.979 -2.656 1.00 0.00 C ATOM 750 CD LYS A 52 0.667 13.629 -3.514 1.00 0.00 C ATOM 751 CE LYS A 52 1.658 14.781 -3.582 1.00 0.00 C ATOM 752 NZ LYS A 52 2.129 15.187 -2.229 1.00 0.00 N ATOM 0 H LYS A 52 -3.299 11.166 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.262 13.163 -0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.203 11.949 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.097 13.045 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.917 14.960 -2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.233 14.048 -1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.161 12.747 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.336 13.373 -4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.513 14.489 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.191 15.634 -4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.841 15.940 -2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.324 15.537 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.552 14.368 -1.748 1.00 0.00 H new ATOM 766 N GLU A 53 -3.464 15.290 -1.099 1.00 0.00 N ATOM 767 CA GLU A 53 -4.218 16.530 -1.233 1.00 0.00 C ATOM 768 C GLU A 53 -3.942 17.192 -2.580 1.00 0.00 C ATOM 769 O GLU A 53 -2.845 17.694 -2.825 1.00 0.00 O ATOM 770 CB GLU A 53 -3.865 17.493 -0.097 1.00 0.00 C ATOM 771 CG GLU A 53 -4.996 18.438 0.273 1.00 0.00 C ATOM 772 CD GLU A 53 -6.080 17.760 1.088 1.00 0.00 C ATOM 773 OE1 GLU A 53 -6.927 17.066 0.489 1.00 0.00 O ATOM 774 OE2 GLU A 53 -6.080 17.924 2.327 1.00 0.00 O ATOM 0 H GLU A 53 -2.858 15.251 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.279 16.288 -1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.583 16.915 0.783 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.993 18.079 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.592 19.277 0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.434 18.848 -0.637 1.00 0.00 H new ATOM 781 N THR A 54 -4.947 17.190 -3.451 1.00 0.00 N ATOM 782 CA THR A 54 -4.813 17.788 -4.773 1.00 0.00 C ATOM 783 C THR A 54 -3.459 17.459 -5.391 1.00 0.00 C ATOM 784 O THR A 54 -2.882 18.270 -6.113 1.00 0.00 O ATOM 785 CB THR A 54 -4.981 19.318 -4.717 1.00 0.00 C ATOM 786 OG1 THR A 54 -4.847 19.874 -6.030 1.00 0.00 O ATOM 787 CG2 THR A 54 -3.950 19.942 -3.789 1.00 0.00 C ATOM 0 H THR A 54 -5.862 16.781 -3.264 1.00 0.00 H new ATOM 0 HA THR A 54 -5.604 17.365 -5.392 1.00 0.00 H new ATOM 0 HB THR A 54 -5.976 19.538 -4.329 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.957 19.667 -6.384 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.088 21.023 -3.766 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.074 19.539 -2.784 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.948 19.712 -4.151 1.00 0.00 H new ATOM 795 N GLY A 55 -2.958 16.261 -5.103 1.00 0.00 N ATOM 796 CA GLY A 55 -1.675 15.846 -5.640 1.00 0.00 C ATOM 797 C GLY A 55 -1.802 15.179 -6.995 1.00 0.00 C ATOM 798 O GLY A 55 -2.339 15.765 -7.936 1.00 0.00 O ATOM 0 H GLY A 55 -3.417 15.571 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.022 16.715 -5.726 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.198 15.157 -4.943 1.00 0.00 H new ATOM 802 N LEU A 56 -1.307 13.951 -7.097 1.00 0.00 N ATOM 803 CA LEU A 56 -1.366 13.203 -8.348 1.00 0.00 C ATOM 804 C LEU A 56 -2.482 12.164 -8.310 1.00 0.00 C ATOM 805 O LEU A 56 -3.501 12.309 -8.984 1.00 0.00 O ATOM 806 CB LEU A 56 -0.025 12.518 -8.620 1.00 0.00 C ATOM 807 CG LEU A 56 1.207 13.423 -8.602 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.468 12.604 -8.373 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.309 14.212 -9.899 1.00 0.00 C ATOM 0 H LEU A 56 -0.860 13.452 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.577 13.907 -9.153 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.116 11.732 -7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.079 12.031 -9.594 1.00 0.00 H new ATOM 0 HG LEU A 56 1.103 14.129 -7.778 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.335 13.265 -8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.396 12.086 -7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.578 11.874 -9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.192 14.851 -9.868 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.389 13.522 -10.739 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.419 14.829 -10.020 1.00 0.00 H new ATOM 821 N ALA A 57 -2.282 11.118 -7.515 1.00 0.00 N ATOM 822 CA ALA A 57 -3.273 10.057 -7.386 1.00 0.00 C ATOM 823 C ALA A 57 -4.689 10.611 -7.504 1.00 0.00 C ATOM 824 O ALA A 57 -5.552 10.007 -8.141 1.00 0.00 O ATOM 825 CB ALA A 57 -3.098 9.330 -6.061 1.00 0.00 C ATOM 0 H ALA A 57 -1.443 10.983 -6.951 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.119 9.349 -8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.845 8.540 -5.978 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.101 8.893 -6.015 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.223 10.035 -5.240 1.00 0.00 H new ATOM 831 N SER A 58 -4.922 11.764 -6.884 1.00 0.00 N ATOM 832 CA SER A 58 -6.235 12.397 -6.916 1.00 0.00 C ATOM 833 C SER A 58 -6.659 12.696 -8.351 1.00 0.00 C ATOM 834 O SER A 58 -7.678 12.194 -8.827 1.00 0.00 O ATOM 835 CB SER A 58 -6.221 13.690 -6.097 1.00 0.00 C ATOM 836 OG SER A 58 -7.475 14.348 -6.163 1.00 0.00 O ATOM 0 H SER A 58 -4.219 12.278 -6.354 1.00 0.00 H new ATOM 0 HA SER A 58 -6.955 11.706 -6.479 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.979 13.464 -5.058 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.439 14.352 -6.469 1.00 0.00 H new ATOM 0 HG SER A 58 -7.441 15.170 -5.631 1.00 0.00 H new ATOM 842 N LYS A 59 -5.871 13.517 -9.036 1.00 0.00 N ATOM 843 CA LYS A 59 -6.162 13.884 -10.417 1.00 0.00 C ATOM 844 C LYS A 59 -6.158 12.653 -11.318 1.00 0.00 C ATOM 845 O LYS A 59 -7.040 12.486 -12.161 1.00 0.00 O ATOM 846 CB LYS A 59 -5.138 14.903 -10.922 1.00 0.00 C ATOM 847 CG LYS A 59 -3.697 14.494 -10.668 1.00 0.00 C ATOM 848 CD LYS A 59 -2.721 15.507 -11.243 1.00 0.00 C ATOM 849 CE LYS A 59 -2.384 15.196 -12.693 1.00 0.00 C ATOM 850 NZ LYS A 59 -3.320 15.868 -13.636 1.00 0.00 N ATOM 0 H LYS A 59 -5.025 13.942 -8.657 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.155 14.332 -10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.282 15.050 -11.992 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.325 15.863 -10.440 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.530 14.394 -9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.512 13.516 -11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.150 16.507 -11.175 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.807 15.511 -10.649 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.364 15.515 -12.905 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.421 14.118 -12.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.017 15.179 -13.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.813 16.640 -13.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.785 16.255 -14.439 1.00 0.00 H new ATOM 864 N LYS A 60 -5.161 11.794 -11.135 1.00 0.00 N ATOM 865 CA LYS A 60 -5.043 10.578 -11.930 1.00 0.00 C ATOM 866 C LYS A 60 -6.398 9.891 -12.078 1.00 0.00 C ATOM 867 O LYS A 60 -6.837 9.596 -13.188 1.00 0.00 O ATOM 868 CB LYS A 60 -4.041 9.618 -11.285 1.00 0.00 C ATOM 869 CG LYS A 60 -3.212 8.838 -12.290 1.00 0.00 C ATOM 870 CD LYS A 60 -2.197 9.729 -12.986 1.00 0.00 C ATOM 871 CE LYS A 60 -0.863 9.730 -12.255 1.00 0.00 C ATOM 872 NZ LYS A 60 0.087 10.720 -12.835 1.00 0.00 N ATOM 0 H LYS A 60 -4.423 11.918 -10.442 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.685 10.855 -12.922 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.372 10.185 -10.638 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.581 8.916 -10.649 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.695 8.023 -11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.869 8.385 -13.032 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.052 9.386 -14.010 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.583 10.747 -13.043 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.026 9.958 -11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.423 8.734 -12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.984 10.690 -12.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.263 10.488 -13.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.322 11.674 -12.768 1.00 0.00 H new ATOM 886 N GLY A 61 -7.056 9.641 -10.950 1.00 0.00 N ATOM 887 CA GLY A 61 -8.354 8.993 -10.976 1.00 0.00 C ATOM 888 C GLY A 61 -8.536 8.012 -9.836 1.00 0.00 C ATOM 889 O GLY A 61 -9.094 6.930 -10.020 1.00 0.00 O ATOM 0 H GLY A 61 -6.713 9.876 -10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.136 9.751 -10.927 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.476 8.470 -11.924 1.00 0.00 H new ATOM 893 N LEU A 62 -8.062 8.388 -8.653 1.00 0.00 N ATOM 894 CA LEU A 62 -8.173 7.532 -7.477 1.00 0.00 C ATOM 895 C LEU A 62 -9.163 8.113 -6.472 1.00 0.00 C ATOM 896 O LEU A 62 -9.809 9.127 -6.736 1.00 0.00 O ATOM 897 CB LEU A 62 -6.804 7.357 -6.818 1.00 0.00 C ATOM 898 CG LEU A 62 -5.968 6.176 -7.311 1.00 0.00 C ATOM 899 CD1 LEU A 62 -4.486 6.447 -7.103 1.00 0.00 C ATOM 900 CD2 LEU A 62 -6.382 4.895 -6.601 1.00 0.00 C ATOM 0 H LEU A 62 -7.597 9.280 -8.483 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.541 6.558 -7.801 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.230 8.271 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.951 7.249 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.147 6.050 -8.379 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.907 5.595 -7.460 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.198 7.340 -7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.290 6.600 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.776 4.065 -6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.233 5.010 -5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.434 4.691 -6.802 1.00 0.00 H new ATOM 912 N LYS A 63 -9.276 7.465 -5.318 1.00 0.00 N ATOM 913 CA LYS A 63 -10.184 7.918 -4.271 1.00 0.00 C ATOM 914 C LYS A 63 -9.953 7.142 -2.978 1.00 0.00 C ATOM 915 O LYS A 63 -9.407 6.039 -2.993 1.00 0.00 O ATOM 916 CB LYS A 63 -11.637 7.756 -4.723 1.00 0.00 C ATOM 917 CG LYS A 63 -12.617 8.608 -3.934 1.00 0.00 C ATOM 918 CD LYS A 63 -12.470 10.082 -4.269 1.00 0.00 C ATOM 919 CE LYS A 63 -12.947 10.964 -3.125 1.00 0.00 C ATOM 920 NZ LYS A 63 -12.315 12.312 -3.162 1.00 0.00 N ATOM 0 H LYS A 63 -8.749 6.623 -5.084 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.984 8.973 -4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.711 8.015 -5.779 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.923 6.708 -4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.636 8.285 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.453 8.458 -2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.426 10.304 -4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.041 10.310 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.031 11.070 -3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.718 10.482 -2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.666 12.882 -2.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.282 12.213 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.554 12.783 -4.058 1.00 0.00 H new ATOM 934 N ALA A 64 -10.375 7.725 -1.860 1.00 0.00 N ATOM 935 CA ALA A 64 -10.217 7.087 -0.559 1.00 0.00 C ATOM 936 C ALA A 64 -11.354 6.106 -0.288 1.00 0.00 C ATOM 937 O ALA A 64 -11.732 5.882 0.861 1.00 0.00 O ATOM 938 CB ALA A 64 -10.150 8.137 0.539 1.00 0.00 C ATOM 0 H ALA A 64 -10.829 8.638 -1.830 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.282 6.527 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.032 7.646 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.300 8.796 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.070 8.722 0.539 1.00 0.00 H new ATOM 944 N GLY A 65 -11.895 5.525 -1.354 1.00 0.00 N ATOM 945 CA GLY A 65 -12.983 4.576 -1.209 1.00 0.00 C ATOM 946 C GLY A 65 -12.920 3.460 -2.232 1.00 0.00 C ATOM 947 O GLY A 65 -13.922 2.797 -2.500 1.00 0.00 O ATOM 0 H GLY A 65 -11.599 5.694 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.956 4.148 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.934 5.100 -1.306 1.00 0.00 H new ATOM 951 N ASP A 66 -11.741 3.253 -2.807 1.00 0.00 N ATOM 952 CA ASP A 66 -11.551 2.210 -3.809 1.00 0.00 C ATOM 953 C ASP A 66 -10.632 1.112 -3.282 1.00 0.00 C ATOM 954 O ASP A 66 -10.082 1.223 -2.186 1.00 0.00 O ATOM 955 CB ASP A 66 -10.971 2.805 -5.093 1.00 0.00 C ATOM 956 CG ASP A 66 -12.025 3.485 -5.944 1.00 0.00 C ATOM 957 OD1 ASP A 66 -12.652 2.795 -6.774 1.00 0.00 O ATOM 958 OD2 ASP A 66 -12.223 4.707 -5.780 1.00 0.00 O ATOM 0 H ASP A 66 -10.902 3.793 -2.597 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.524 1.771 -4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.194 3.526 -4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.494 2.015 -5.673 1.00 0.00 H new ATOM 963 N GLU A 67 -10.471 0.053 -4.069 1.00 0.00 N ATOM 964 CA GLU A 67 -9.620 -1.065 -3.680 1.00 0.00 C ATOM 965 C GLU A 67 -8.578 -1.356 -4.756 1.00 0.00 C ATOM 966 O GLU A 67 -8.875 -1.311 -5.951 1.00 0.00 O ATOM 967 CB GLU A 67 -10.467 -2.314 -3.424 1.00 0.00 C ATOM 968 CG GLU A 67 -10.984 -2.969 -4.694 1.00 0.00 C ATOM 969 CD GLU A 67 -12.145 -2.212 -5.310 1.00 0.00 C ATOM 970 OE1 GLU A 67 -11.897 -1.186 -5.977 1.00 0.00 O ATOM 971 OE2 GLU A 67 -13.301 -2.647 -5.125 1.00 0.00 O ATOM 0 H GLU A 67 -10.919 -0.054 -4.979 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.101 -0.791 -2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.872 -3.038 -2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.314 -2.045 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.173 -3.036 -5.419 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.298 -3.989 -4.471 1.00 0.00 H new ATOM 978 N ILE A 68 -7.357 -1.653 -4.324 1.00 0.00 N ATOM 979 CA ILE A 68 -6.271 -1.952 -5.250 1.00 0.00 C ATOM 980 C ILE A 68 -6.135 -3.454 -5.471 1.00 0.00 C ATOM 981 O ILE A 68 -5.862 -4.208 -4.536 1.00 0.00 O ATOM 982 CB ILE A 68 -4.929 -1.395 -4.740 1.00 0.00 C ATOM 983 CG1 ILE A 68 -4.877 0.123 -4.928 1.00 0.00 C ATOM 984 CG2 ILE A 68 -3.769 -2.063 -5.464 1.00 0.00 C ATOM 985 CD1 ILE A 68 -6.005 0.856 -4.237 1.00 0.00 C ATOM 0 H ILE A 68 -7.095 -1.693 -3.339 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.520 -1.470 -6.196 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.843 -1.614 -3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.926 0.496 -4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.906 0.350 -5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.827 -1.659 -5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.799 -3.138 -5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.849 -1.871 -6.534 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.905 1.927 -4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.960 0.511 -4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.965 0.659 -3.166 1.00 0.00 H new ATOM 997 N LEU A 69 -6.324 -3.883 -6.714 1.00 0.00 N ATOM 998 CA LEU A 69 -6.220 -5.297 -7.059 1.00 0.00 C ATOM 999 C LEU A 69 -4.773 -5.771 -6.981 1.00 0.00 C ATOM 1000 O LEU A 69 -4.464 -6.738 -6.286 1.00 0.00 O ATOM 1001 CB LEU A 69 -6.774 -5.540 -8.464 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.253 -5.212 -8.669 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -8.517 -4.814 -10.113 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.122 -6.397 -8.274 1.00 0.00 C ATOM 0 H LEU A 69 -6.550 -3.273 -7.499 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.808 -5.867 -6.339 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.190 -4.949 -9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.616 -6.588 -8.719 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.510 -4.368 -8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.575 -4.584 -10.239 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.922 -3.935 -10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.243 -5.637 -10.773 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.172 -6.145 -8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.863 -7.259 -8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.955 -6.636 -7.224 1.00 0.00 H new ATOM 1016 N GLU A 70 -3.890 -5.082 -7.698 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.475 -5.434 -7.708 1.00 0.00 C ATOM 1018 C GLU A 70 -1.604 -4.182 -7.779 1.00 0.00 C ATOM 1019 O GLU A 70 -2.102 -3.079 -8.006 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.163 -6.353 -8.891 1.00 0.00 C ATOM 1021 CG GLU A 70 -2.539 -7.805 -8.649 1.00 0.00 C ATOM 1022 CD GLU A 70 -2.237 -8.692 -9.841 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -1.097 -9.193 -9.933 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -3.140 -8.886 -10.681 1.00 0.00 O ATOM 0 H GLU A 70 -4.129 -4.278 -8.278 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.251 -5.960 -6.780 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.694 -5.991 -9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.098 -6.295 -9.115 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.998 -8.176 -7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.602 -7.867 -8.415 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.303 -4.363 -7.582 1.00 0.00 N ATOM 1032 CA ILE A 71 0.637 -3.249 -7.625 1.00 0.00 C ATOM 1033 C ILE A 71 1.930 -3.648 -8.328 1.00 0.00 C ATOM 1034 O ILE A 71 2.713 -4.441 -7.808 1.00 0.00 O ATOM 1035 CB ILE A 71 0.972 -2.741 -6.210 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.298 -2.265 -5.502 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.998 -1.620 -6.279 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.189 -2.275 -3.993 1.00 0.00 C ATOM 0 H ILE A 71 0.124 -5.269 -7.391 1.00 0.00 H new ATOM 0 HA ILE A 71 0.153 -2.449 -8.185 1.00 0.00 H new ATOM 0 HB ILE A 71 1.399 -3.563 -5.636 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.532 -1.254 -5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.131 -2.900 -5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.224 -1.272 -5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.910 -1.990 -6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.596 -0.795 -6.867 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.126 -1.926 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.014 -3.289 -3.650 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.623 -1.617 -3.682 1.00 0.00 H new ATOM 1050 N ASN A 72 2.148 -3.089 -9.514 1.00 0.00 N ATOM 1051 CA ASN A 72 3.348 -3.385 -10.290 1.00 0.00 C ATOM 1052 C ASN A 72 3.442 -4.876 -10.597 1.00 0.00 C ATOM 1053 O ASN A 72 4.527 -5.455 -10.582 1.00 0.00 O ATOM 1054 CB ASN A 72 4.596 -2.929 -9.531 1.00 0.00 C ATOM 1055 CG ASN A 72 4.571 -1.446 -9.215 1.00 0.00 C ATOM 1056 OD1 ASN A 72 3.512 -0.817 -9.218 1.00 0.00 O ATOM 1057 ND2 ASN A 72 5.740 -0.879 -8.941 1.00 0.00 N ATOM 0 H ASN A 72 1.510 -2.429 -9.959 1.00 0.00 H new ATOM 0 HA ASN A 72 3.285 -2.841 -11.233 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.680 -3.494 -8.603 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.482 -3.156 -10.124 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.785 0.116 -8.722 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.593 -1.439 -8.950 1.00 0.00 H new ATOM 1064 N ASN A 73 2.298 -5.491 -10.877 1.00 0.00 N ATOM 1065 CA ASN A 73 2.251 -6.915 -11.189 1.00 0.00 C ATOM 1066 C ASN A 73 2.481 -7.754 -9.935 1.00 0.00 C ATOM 1067 O ASN A 73 3.225 -8.735 -9.961 1.00 0.00 O ATOM 1068 CB ASN A 73 3.300 -7.261 -12.248 1.00 0.00 C ATOM 1069 CG ASN A 73 3.007 -8.576 -12.944 1.00 0.00 C ATOM 1070 OD1 ASN A 73 2.718 -9.583 -12.297 1.00 0.00 O ATOM 1071 ND2 ASN A 73 3.080 -8.572 -14.270 1.00 0.00 N ATOM 0 H ASN A 73 1.391 -5.026 -10.894 1.00 0.00 H new ATOM 0 HA ASN A 73 1.260 -7.144 -11.581 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.342 -6.462 -12.989 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.283 -7.312 -11.779 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.893 -9.427 -14.794 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.323 -7.714 -14.765 1.00 0.00 H new ATOM 1078 N ARG A 74 1.838 -7.361 -8.841 1.00 0.00 N ATOM 1079 CA ARG A 74 1.973 -8.076 -7.577 1.00 0.00 C ATOM 1080 C ARG A 74 0.633 -8.156 -6.852 1.00 0.00 C ATOM 1081 O ARG A 74 -0.162 -7.218 -6.891 1.00 0.00 O ATOM 1082 CB ARG A 74 3.007 -7.387 -6.685 1.00 0.00 C ATOM 1083 CG ARG A 74 4.442 -7.597 -7.141 1.00 0.00 C ATOM 1084 CD ARG A 74 4.928 -9.002 -6.820 1.00 0.00 C ATOM 1085 NE ARG A 74 6.041 -9.405 -7.676 1.00 0.00 N ATOM 1086 CZ ARG A 74 6.483 -10.654 -7.766 1.00 0.00 C ATOM 1087 NH1 ARG A 74 5.910 -11.617 -7.058 1.00 0.00 N ATOM 1088 NH2 ARG A 74 7.501 -10.943 -8.568 1.00 0.00 N ATOM 0 H ARG A 74 1.218 -6.552 -8.804 1.00 0.00 H new ATOM 0 HA ARG A 74 2.309 -9.089 -7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.796 -6.318 -6.658 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.901 -7.759 -5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.513 -7.423 -8.215 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.090 -6.867 -6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.238 -9.049 -5.776 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.105 -9.707 -6.940 1.00 0.00 H new ATOM 0 HE ARG A 74 6.504 -8.688 -8.235 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.127 -11.400 -6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.252 -12.575 -7.130 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.944 -10.205 -9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.840 -11.903 -8.636 1.00 0.00 H new ATOM 1102 N ALA A 75 0.390 -9.284 -6.192 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.853 -9.486 -5.458 1.00 0.00 C ATOM 1104 C ALA A 75 -0.844 -8.717 -4.141 1.00 0.00 C ATOM 1105 O ALA A 75 0.043 -8.903 -3.309 1.00 0.00 O ATOM 1106 CB ALA A 75 -1.080 -10.969 -5.203 1.00 0.00 C ATOM 0 H ALA A 75 1.037 -10.071 -6.151 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.672 -9.103 -6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.012 -11.105 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.139 -11.497 -6.155 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.252 -11.368 -4.617 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.836 -7.852 -3.960 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.942 -7.055 -2.744 1.00 0.00 C ATOM 1114 C ALA A 76 -1.815 -7.931 -1.501 1.00 0.00 C ATOM 1115 O ALA A 76 -1.084 -7.599 -0.568 1.00 0.00 O ATOM 1116 CB ALA A 76 -3.260 -6.295 -2.724 1.00 0.00 C ATOM 0 H ALA A 76 -2.578 -7.685 -4.640 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.122 -6.337 -2.737 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.326 -5.704 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.312 -5.633 -3.589 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.088 -7.002 -2.759 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.532 -9.049 -1.496 1.00 0.00 N ATOM 1123 CA ASP A 77 -2.500 -9.973 -0.368 1.00 0.00 C ATOM 1124 C ASP A 77 -1.076 -10.447 -0.095 1.00 0.00 C ATOM 1125 O ASP A 77 -0.657 -10.554 1.058 1.00 0.00 O ATOM 1126 CB ASP A 77 -3.407 -11.173 -0.638 1.00 0.00 C ATOM 1127 CG ASP A 77 -4.786 -10.761 -1.116 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -4.878 -9.786 -1.890 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -5.773 -11.414 -0.715 1.00 0.00 O ATOM 0 H ASP A 77 -3.143 -9.338 -2.260 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.864 -9.445 0.513 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.943 -11.814 -1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.503 -11.764 0.273 1.00 0.00 H new ATOM 1134 N ALA A 78 -0.337 -10.730 -1.162 1.00 0.00 N ATOM 1135 CA ALA A 78 1.040 -11.191 -1.038 1.00 0.00 C ATOM 1136 C ALA A 78 1.936 -10.098 -0.467 1.00 0.00 C ATOM 1137 O ALA A 78 2.915 -10.381 0.226 1.00 0.00 O ATOM 1138 CB ALA A 78 1.565 -11.655 -2.388 1.00 0.00 C ATOM 0 H ALA A 78 -0.669 -10.648 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 78 1.054 -12.033 -0.346 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.594 -11.997 -2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.948 -12.474 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.530 -10.827 -3.096 1.00 0.00 H new ATOM 1144 N LEU A 79 1.597 -8.848 -0.761 1.00 0.00 N ATOM 1145 CA LEU A 79 2.372 -7.710 -0.277 1.00 0.00 C ATOM 1146 C LEU A 79 1.870 -7.251 1.088 1.00 0.00 C ATOM 1147 O LEU A 79 0.667 -7.117 1.305 1.00 0.00 O ATOM 1148 CB LEU A 79 2.296 -6.555 -1.276 1.00 0.00 C ATOM 1149 CG LEU A 79 2.515 -6.921 -2.745 1.00 0.00 C ATOM 1150 CD1 LEU A 79 2.076 -5.781 -3.650 1.00 0.00 C ATOM 1151 CD2 LEU A 79 3.974 -7.272 -2.995 1.00 0.00 C ATOM 0 H LEU A 79 0.790 -8.596 -1.332 1.00 0.00 H new ATOM 0 HA LEU A 79 3.410 -8.026 -0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.318 -6.084 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.038 -5.808 -0.994 1.00 0.00 H new ATOM 0 HG LEU A 79 1.907 -7.796 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.239 -6.059 -4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.017 -5.577 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.656 -4.888 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.111 -7.530 -4.045 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.602 -6.416 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.256 -8.122 -2.373 1.00 0.00 H new ATOM 1163 N ASN A 80 2.802 -7.010 2.005 1.00 0.00 N ATOM 1164 CA ASN A 80 2.454 -6.564 3.349 1.00 0.00 C ATOM 1165 C ASN A 80 2.862 -5.109 3.562 1.00 0.00 C ATOM 1166 O ASN A 80 3.585 -4.531 2.750 1.00 0.00 O ATOM 1167 CB ASN A 80 3.131 -7.453 4.395 1.00 0.00 C ATOM 1168 CG ASN A 80 4.627 -7.218 4.473 1.00 0.00 C ATOM 1169 OD1 ASN A 80 5.148 -6.266 3.891 1.00 0.00 O ATOM 1170 ND2 ASN A 80 5.325 -8.087 5.194 1.00 0.00 N ATOM 0 H ASN A 80 3.803 -7.116 1.842 1.00 0.00 H new ATOM 0 HA ASN A 80 1.373 -6.640 3.462 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.685 -7.264 5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.942 -8.499 4.155 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.336 -7.981 5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.851 -8.861 5.659 1.00 0.00 H new ATOM 1177 N SER A 81 2.394 -4.524 4.659 1.00 0.00 N ATOM 1178 CA SER A 81 2.706 -3.135 4.978 1.00 0.00 C ATOM 1179 C SER A 81 4.157 -2.813 4.633 1.00 0.00 C ATOM 1180 O SER A 81 4.477 -1.694 4.231 1.00 0.00 O ATOM 1181 CB SER A 81 2.449 -2.860 6.460 1.00 0.00 C ATOM 1182 OG SER A 81 3.325 -3.615 7.279 1.00 0.00 O ATOM 0 H SER A 81 1.797 -4.990 5.343 1.00 0.00 H new ATOM 0 HA SER A 81 2.057 -2.495 4.380 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.581 -1.797 6.664 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.416 -3.106 6.705 1.00 0.00 H new ATOM 0 HG SER A 81 3.141 -3.420 8.222 1.00 0.00 H new ATOM 1188 N SER A 82 5.031 -3.801 4.795 1.00 0.00 N ATOM 1189 CA SER A 82 6.449 -3.622 4.506 1.00 0.00 C ATOM 1190 C SER A 82 6.682 -3.470 3.006 1.00 0.00 C ATOM 1191 O SER A 82 7.048 -2.395 2.530 1.00 0.00 O ATOM 1192 CB SER A 82 7.254 -4.809 5.040 1.00 0.00 C ATOM 1193 OG SER A 82 8.575 -4.420 5.374 1.00 0.00 O ATOM 0 H SER A 82 4.782 -4.734 5.125 1.00 0.00 H new ATOM 0 HA SER A 82 6.784 -2.712 5.003 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.760 -5.222 5.919 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.283 -5.600 4.290 1.00 0.00 H new ATOM 0 HG SER A 82 9.068 -5.195 5.714 1.00 0.00 H new ATOM 1199 N MET A 83 6.468 -4.553 2.266 1.00 0.00 N ATOM 1200 CA MET A 83 6.653 -4.540 0.820 1.00 0.00 C ATOM 1201 C MET A 83 6.092 -3.259 0.212 1.00 0.00 C ATOM 1202 O MET A 83 6.730 -2.630 -0.633 1.00 0.00 O ATOM 1203 CB MET A 83 5.977 -5.758 0.187 1.00 0.00 C ATOM 1204 CG MET A 83 6.781 -7.040 0.327 1.00 0.00 C ATOM 1205 SD MET A 83 6.728 -7.714 1.999 1.00 0.00 S ATOM 1206 CE MET A 83 5.454 -8.960 1.822 1.00 0.00 C ATOM 0 H MET A 83 6.166 -5.451 2.644 1.00 0.00 H new ATOM 0 HA MET A 83 7.723 -4.580 0.615 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.999 -5.900 0.647 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.806 -5.560 -0.871 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.398 -7.783 -0.372 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.817 -6.846 0.050 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.192 -9.355 2.804 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.571 -8.515 1.363 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.822 -9.770 1.192 1.00 0.00 H new ATOM 1216 N LEU A 84 4.896 -2.877 0.646 1.00 0.00 N ATOM 1217 CA LEU A 84 4.249 -1.670 0.144 1.00 0.00 C ATOM 1218 C LEU A 84 5.175 -0.464 0.267 1.00 0.00 C ATOM 1219 O LEU A 84 5.385 0.273 -0.696 1.00 0.00 O ATOM 1220 CB LEU A 84 2.949 -1.410 0.906 1.00 0.00 C ATOM 1221 CG LEU A 84 1.745 -2.256 0.489 1.00 0.00 C ATOM 1222 CD1 LEU A 84 0.660 -2.201 1.553 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.203 -1.786 -0.853 1.00 0.00 C ATOM 0 H LEU A 84 4.354 -3.386 1.345 1.00 0.00 H new ATOM 0 HA LEU A 84 4.020 -1.822 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.134 -1.576 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.687 -0.359 0.789 1.00 0.00 H new ATOM 0 HG LEU A 84 2.071 -3.291 0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.189 -2.809 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.053 -2.586 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.336 -1.169 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.347 -2.399 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.893 -0.744 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.980 -1.878 -1.612 1.00 0.00 H new ATOM 1235 N LYS A 85 5.728 -0.270 1.460 1.00 0.00 N ATOM 1236 CA LYS A 85 6.635 0.844 1.710 1.00 0.00 C ATOM 1237 C LYS A 85 7.664 0.970 0.592 1.00 0.00 C ATOM 1238 O LYS A 85 7.815 2.034 -0.009 1.00 0.00 O ATOM 1239 CB LYS A 85 7.345 0.659 3.053 1.00 0.00 C ATOM 1240 CG LYS A 85 6.404 0.664 4.245 1.00 0.00 C ATOM 1241 CD LYS A 85 6.204 2.069 4.791 1.00 0.00 C ATOM 1242 CE LYS A 85 7.418 2.538 5.578 1.00 0.00 C ATOM 1243 NZ LYS A 85 7.532 1.842 6.889 1.00 0.00 N ATOM 0 H LYS A 85 5.564 -0.870 2.269 1.00 0.00 H new ATOM 0 HA LYS A 85 6.045 1.760 1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.893 -0.283 3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.080 1.454 3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.441 0.246 3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.805 0.021 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.015 2.757 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.323 2.089 5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.321 2.361 4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.351 3.613 5.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.241 2.324 7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.611 1.859 7.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.823 0.856 6.734 1.00 0.00 H new ATOM 1257 N ASP A 86 8.368 -0.122 0.316 1.00 0.00 N ATOM 1258 CA ASP A 86 9.381 -0.134 -0.733 1.00 0.00 C ATOM 1259 C ASP A 86 8.841 0.485 -2.018 1.00 0.00 C ATOM 1260 O ASP A 86 9.448 1.394 -2.584 1.00 0.00 O ATOM 1261 CB ASP A 86 9.852 -1.565 -1.000 1.00 0.00 C ATOM 1262 CG ASP A 86 10.606 -2.155 0.175 1.00 0.00 C ATOM 1263 OD1 ASP A 86 9.950 -2.703 1.087 1.00 0.00 O ATOM 1264 OD2 ASP A 86 11.851 -2.071 0.183 1.00 0.00 O ATOM 0 H ASP A 86 8.256 -1.011 0.804 1.00 0.00 H new ATOM 0 HA ASP A 86 10.228 0.462 -0.393 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.990 -2.192 -1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.493 -1.575 -1.881 1.00 0.00 H new ATOM 1269 N PHE A 87 7.697 -0.015 -2.474 1.00 0.00 N ATOM 1270 CA PHE A 87 7.076 0.488 -3.694 1.00 0.00 C ATOM 1271 C PHE A 87 7.008 2.013 -3.681 1.00 0.00 C ATOM 1272 O PHE A 87 7.464 2.674 -4.615 1.00 0.00 O ATOM 1273 CB PHE A 87 5.670 -0.095 -3.853 1.00 0.00 C ATOM 1274 CG PHE A 87 5.640 -1.386 -4.620 1.00 0.00 C ATOM 1275 CD1 PHE A 87 6.324 -1.511 -5.819 1.00 0.00 C ATOM 1276 CD2 PHE A 87 4.928 -2.474 -4.143 1.00 0.00 C ATOM 1277 CE1 PHE A 87 6.299 -2.698 -6.527 1.00 0.00 C ATOM 1278 CE2 PHE A 87 4.899 -3.664 -4.846 1.00 0.00 C ATOM 1279 CZ PHE A 87 5.584 -3.775 -6.040 1.00 0.00 C ATOM 0 H PHE A 87 7.182 -0.767 -2.017 1.00 0.00 H new ATOM 0 HA PHE A 87 7.689 0.176 -4.540 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.239 -0.258 -2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.038 0.634 -4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.883 -0.671 -6.205 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.389 -2.392 -3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 87 6.838 -2.783 -7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.342 -4.506 -4.462 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.561 -4.703 -6.592 1.00 0.00 H new ATOM 1289 N LEU A 88 6.435 2.564 -2.617 1.00 0.00 N ATOM 1290 CA LEU A 88 6.306 4.011 -2.481 1.00 0.00 C ATOM 1291 C LEU A 88 7.652 4.699 -2.685 1.00 0.00 C ATOM 1292 O LEU A 88 7.715 5.833 -3.161 1.00 0.00 O ATOM 1293 CB LEU A 88 5.742 4.366 -1.104 1.00 0.00 C ATOM 1294 CG LEU A 88 4.399 3.729 -0.745 1.00 0.00 C ATOM 1295 CD1 LEU A 88 4.082 3.946 0.727 1.00 0.00 C ATOM 1296 CD2 LEU A 88 3.289 4.295 -1.619 1.00 0.00 C ATOM 0 H LEU A 88 6.052 2.031 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 88 5.618 4.363 -3.250 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.472 4.076 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.635 5.449 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 88 4.467 2.657 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.123 3.486 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.863 3.493 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.033 5.015 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.341 3.830 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.221 5.372 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.509 4.088 -2.666 1.00 0.00 H new ATOM 1308 N SER A 89 8.726 4.005 -2.323 1.00 0.00 N ATOM 1309 CA SER A 89 10.071 4.550 -2.464 1.00 0.00 C ATOM 1310 C SER A 89 10.396 4.822 -3.930 1.00 0.00 C ATOM 1311 O SER A 89 11.185 5.712 -4.247 1.00 0.00 O ATOM 1312 CB SER A 89 11.100 3.585 -1.872 1.00 0.00 C ATOM 1313 OG SER A 89 12.351 4.225 -1.686 1.00 0.00 O ATOM 0 H SER A 89 8.691 3.064 -1.930 1.00 0.00 H new ATOM 0 HA SER A 89 10.113 5.493 -1.919 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.738 3.203 -0.918 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.222 2.727 -2.533 1.00 0.00 H new ATOM 0 HG SER A 89 12.991 3.588 -1.305 1.00 0.00 H new ATOM 1319 N GLN A 90 9.782 4.048 -4.819 1.00 0.00 N ATOM 1320 CA GLN A 90 10.006 4.204 -6.251 1.00 0.00 C ATOM 1321 C GLN A 90 9.258 5.419 -6.790 1.00 0.00 C ATOM 1322 O GLN A 90 8.149 5.737 -6.360 1.00 0.00 O ATOM 1323 CB GLN A 90 9.562 2.945 -6.998 1.00 0.00 C ATOM 1324 CG GLN A 90 10.255 1.678 -6.522 1.00 0.00 C ATOM 1325 CD GLN A 90 9.617 0.420 -7.076 1.00 0.00 C ATOM 1326 OE1 GLN A 90 9.366 0.315 -8.277 1.00 0.00 O ATOM 1327 NE2 GLN A 90 9.350 -0.544 -6.203 1.00 0.00 N ATOM 0 H GLN A 90 9.126 3.307 -4.573 1.00 0.00 H new ATOM 0 HA GLN A 90 11.073 4.356 -6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.485 2.825 -6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.756 3.077 -8.062 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.304 1.709 -6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.232 1.643 -5.433 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.575 -0.415 -5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.920 -1.413 -6.519 1.00 0.00 H new ATOM 1336 N PRO A 91 9.879 6.117 -7.753 1.00 0.00 N ATOM 1337 CA PRO A 91 9.290 7.309 -8.371 1.00 0.00 C ATOM 1338 C PRO A 91 8.091 6.973 -9.251 1.00 0.00 C ATOM 1339 O PRO A 91 7.132 7.741 -9.329 1.00 0.00 O ATOM 1340 CB PRO A 91 10.434 7.871 -9.219 1.00 0.00 C ATOM 1341 CG PRO A 91 11.299 6.694 -9.515 1.00 0.00 C ATOM 1342 CD PRO A 91 11.202 5.796 -8.313 1.00 0.00 C ATOM 0 HA PRO A 91 8.909 8.008 -7.626 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.060 8.328 -10.135 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.985 8.642 -8.680 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.963 6.179 -10.415 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.330 7.002 -9.690 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.277 4.744 -8.590 1.00 0.00 H new ATOM 0 HD3 PRO A 91 12.000 5.995 -7.598 1.00 0.00 H new ATOM 1350 N SER A 92 8.151 5.821 -9.911 1.00 0.00 N ATOM 1351 CA SER A 92 7.071 5.385 -10.788 1.00 0.00 C ATOM 1352 C SER A 92 6.397 4.132 -10.239 1.00 0.00 C ATOM 1353 O SER A 92 7.042 3.102 -10.040 1.00 0.00 O ATOM 1354 CB SER A 92 7.606 5.115 -12.196 1.00 0.00 C ATOM 1355 OG SER A 92 8.280 3.869 -12.255 1.00 0.00 O ATOM 0 H SER A 92 8.936 5.173 -9.855 1.00 0.00 H new ATOM 0 HA SER A 92 6.330 6.183 -10.835 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.782 5.120 -12.909 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.286 5.914 -12.490 1.00 0.00 H new ATOM 0 HG SER A 92 8.173 3.398 -11.402 1.00 0.00 H new ATOM 1361 N LEU A 93 5.094 4.227 -9.995 1.00 0.00 N ATOM 1362 CA LEU A 93 4.330 3.102 -9.468 1.00 0.00 C ATOM 1363 C LEU A 93 3.092 2.838 -10.318 1.00 0.00 C ATOM 1364 O LEU A 93 2.468 3.767 -10.830 1.00 0.00 O ATOM 1365 CB LEU A 93 3.920 3.372 -8.019 1.00 0.00 C ATOM 1366 CG LEU A 93 5.036 3.285 -6.978 1.00 0.00 C ATOM 1367 CD1 LEU A 93 4.481 3.509 -5.580 1.00 0.00 C ATOM 1368 CD2 LEU A 93 5.741 1.939 -7.064 1.00 0.00 C ATOM 0 H LEU A 93 4.545 5.072 -10.154 1.00 0.00 H new ATOM 0 HA LEU A 93 4.965 2.217 -9.500 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.479 4.367 -7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.139 2.662 -7.745 1.00 0.00 H new ATOM 0 HG LEU A 93 5.764 4.069 -7.187 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.290 3.443 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.022 4.496 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.732 2.748 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.532 1.894 -6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.023 1.140 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 93 6.173 1.817 -8.057 1.00 0.00 H new ATOM 1380 N GLY A 94 2.740 1.564 -10.464 1.00 0.00 N ATOM 1381 CA GLY A 94 1.576 1.201 -11.251 1.00 0.00 C ATOM 1382 C GLY A 94 0.541 0.445 -10.442 1.00 0.00 C ATOM 1383 O GLY A 94 0.717 -0.737 -10.145 1.00 0.00 O ATOM 0 H GLY A 94 3.240 0.777 -10.051 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.123 2.104 -11.662 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.890 0.589 -12.097 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.540 1.128 -10.082 1.00 0.00 N ATOM 1388 CA LEU A 95 -1.607 0.513 -9.300 1.00 0.00 C ATOM 1389 C LEU A 95 -2.712 -0.017 -10.209 1.00 0.00 C ATOM 1390 O LEU A 95 -3.060 0.608 -11.211 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.188 1.525 -8.310 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.181 2.218 -7.391 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -1.868 3.287 -6.556 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -0.489 1.201 -6.494 1.00 0.00 C ATOM 0 H LEU A 95 -0.701 2.107 -10.319 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.183 -0.325 -8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.721 2.290 -8.874 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.925 1.015 -7.690 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.425 2.700 -8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.136 3.769 -5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.316 4.031 -7.215 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.646 2.828 -5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.224 1.712 -5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.232 0.690 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.038 0.472 -7.110 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.262 -1.172 -9.851 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.330 -1.786 -10.632 1.00 0.00 C ATOM 1408 C LEU A 96 -5.614 -1.884 -9.816 1.00 0.00 C ATOM 1409 O LEU A 96 -5.775 -2.790 -8.998 1.00 0.00 O ATOM 1410 CB LEU A 96 -3.906 -3.178 -11.106 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.006 -4.040 -11.726 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.485 -3.434 -13.036 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -4.511 -5.462 -11.943 1.00 0.00 C ATOM 0 H LEU A 96 -2.986 -1.702 -9.025 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.521 -1.155 -11.500 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.107 -3.063 -11.838 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.485 -3.717 -10.257 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.849 -4.072 -11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.268 -4.061 -13.462 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.881 -2.435 -12.852 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.650 -3.370 -13.734 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.307 -6.061 -12.385 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.651 -5.450 -12.613 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.219 -5.896 -10.987 1.00 0.00 H new ATOM 1425 N VAL A 97 -6.528 -0.946 -10.046 1.00 0.00 N ATOM 1426 CA VAL A 97 -7.801 -0.928 -9.334 1.00 0.00 C ATOM 1427 C VAL A 97 -8.950 -1.329 -10.253 1.00 0.00 C ATOM 1428 O VAL A 97 -8.823 -1.285 -11.477 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.093 0.463 -8.742 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.065 0.817 -7.678 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.119 1.515 -9.840 1.00 0.00 C ATOM 0 H VAL A 97 -6.411 -0.189 -10.719 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.720 -1.650 -8.522 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.075 0.439 -8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.287 1.803 -7.271 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.100 0.078 -6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.069 0.824 -8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.327 2.492 -9.403 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.152 1.540 -10.343 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.897 1.268 -10.562 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.071 -1.718 -9.655 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.242 -2.127 -10.420 1.00 0.00 C ATOM 1443 C ARG A 98 -12.368 -1.106 -10.278 1.00 0.00 C ATOM 1444 O ARG A 98 -12.505 -0.456 -9.241 1.00 0.00 O ATOM 1445 CB ARG A 98 -11.726 -3.502 -9.956 1.00 0.00 C ATOM 1446 CG ARG A 98 -12.640 -4.195 -10.954 1.00 0.00 C ATOM 1447 CD ARG A 98 -12.844 -5.660 -10.599 1.00 0.00 C ATOM 1448 NE ARG A 98 -11.651 -6.459 -10.867 1.00 0.00 N ATOM 1449 CZ ARG A 98 -11.497 -7.711 -10.450 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -12.455 -8.303 -9.751 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -10.383 -8.373 -10.734 1.00 0.00 N ATOM 0 H ARG A 98 -10.193 -1.758 -8.643 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.956 -2.185 -11.470 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.861 -4.137 -9.767 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.254 -3.391 -9.009 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -13.604 -3.688 -10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.214 -4.118 -11.954 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.108 -5.744 -9.545 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.683 -6.058 -11.170 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.895 -6.033 -11.403 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.313 -7.797 -9.532 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.334 -9.264 -9.432 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.644 -7.921 -11.273 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.265 -9.334 -10.414 1.00 0.00 H new ATOM 1465 N THR A 99 -13.171 -0.969 -11.328 1.00 0.00 N ATOM 1466 CA THR A 99 -14.283 -0.026 -11.322 1.00 0.00 C ATOM 1467 C THR A 99 -15.437 -0.531 -12.181 1.00 0.00 C ATOM 1468 O THR A 99 -15.311 -1.540 -12.876 1.00 0.00 O ATOM 1469 CB THR A 99 -13.847 1.360 -11.832 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.759 2.362 -11.370 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.788 1.383 -13.352 1.00 0.00 C ATOM 0 H THR A 99 -13.072 -1.499 -12.194 1.00 0.00 H new ATOM 0 HA THR A 99 -14.615 0.064 -10.288 1.00 0.00 H new ATOM 0 HB THR A 99 -12.851 1.569 -11.442 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.473 3.240 -11.697 1.00 0.00 H new ATOM 0 HG21 THR A 99 -13.478 2.372 -13.689 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.071 0.640 -13.700 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.773 1.154 -13.758 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.560 0.175 -12.129 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.738 -0.203 -12.901 1.00 0.00 C ATOM 1481 C TYR A 100 -17.823 0.603 -14.193 1.00 0.00 C ATOM 1482 O TYR A 100 -17.542 1.801 -14.228 1.00 0.00 O ATOM 1483 CB TYR A 100 -19.006 0.006 -12.072 1.00 0.00 C ATOM 1484 CG TYR A 100 -18.845 -0.365 -10.615 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -18.281 0.525 -9.709 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -19.257 -1.606 -10.144 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -18.131 0.190 -8.377 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -19.113 -1.949 -8.813 1.00 0.00 C ATOM 1489 CZ TYR A 100 -18.548 -1.048 -7.934 1.00 0.00 C ATOM 1490 OH TYR A 100 -18.402 -1.385 -6.608 1.00 0.00 O ATOM 0 H TYR A 100 -16.680 1.013 -11.560 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.650 -1.259 -13.157 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -19.307 1.051 -12.141 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -19.813 -0.587 -12.502 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -17.954 1.496 -10.052 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -19.697 -2.315 -10.830 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.690 0.893 -7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -19.441 -2.917 -8.463 1.00 0.00 H new ATOM 0 HH TYR A 100 -18.746 -2.291 -6.461 1.00 0.00 H new