USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=23 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= -1.65 K(o=-1.7,f=-0.33) USER MOD Set 1.2: A 83 MET CE :methyl 179:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 LYS NZ :NH3+ 171:sc= -1.2 (180deg=-1.37) USER MOD Set 2.2: A 52 LYS NZ :NH3+ -151:sc= -1.63 (180deg=-3.69!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.04 USER MOD Single : A 17 GLN : amide:sc= -1.84 K(o=-1.8,f=-2.6!) USER MOD Single : A 18 SER OG : rot 20:sc= 0.349 USER MOD Single : A 20 HIS : no HD1:sc= -0.812 K(o=-0.81,f=-0.11) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0426 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 178:sc= -1.88! USER MOD Single : A 34 SER OG : rot 180:sc= -0.128 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0.0963 USER MOD Single : A 49 ASN : amide:sc= -4.77! C(o=-4.8!,f=-7.8!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -63:sc= 0.837 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -136:sc= -0.0779 (180deg=-2.06!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -3.51! C(o=-3.5!,f=-12!) USER MOD Single : A 73 ASN : amide:sc=-0.00571 K(o=-0.0057,f=-1.1) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 76:sc= 0.986 USER MOD Single : A 90 GLN : amide:sc= 0.148 K(o=0.15,f=-1.8) USER MOD Single : A 92 SER OG : rot 20:sc= 0.433 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -18.141 -4.989 -13.979 1.00 0.00 N ATOM 160 CA LYS A 14 -17.152 -3.921 -13.893 1.00 0.00 C ATOM 161 C LYS A 14 -15.972 -4.197 -14.820 1.00 0.00 C ATOM 162 O LYS A 14 -15.900 -5.250 -15.453 1.00 0.00 O ATOM 163 CB LYS A 14 -16.657 -3.771 -12.452 1.00 0.00 C ATOM 164 CG LYS A 14 -17.771 -3.812 -11.420 1.00 0.00 C ATOM 165 CD LYS A 14 -18.323 -2.424 -11.141 1.00 0.00 C ATOM 166 CE LYS A 14 -19.595 -2.487 -10.309 1.00 0.00 C ATOM 167 NZ LYS A 14 -20.791 -2.776 -11.147 1.00 0.00 N ATOM 0 HA LYS A 14 -17.629 -2.992 -14.206 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.944 -4.567 -12.237 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -16.120 -2.827 -12.357 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -18.573 -4.459 -11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -17.395 -4.248 -10.494 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.573 -1.832 -10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.528 -1.917 -12.084 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -19.492 -3.258 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -19.736 -1.540 -9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.637 -2.811 -10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -20.905 -2.027 -11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -20.668 -3.692 -11.624 1.00 0.00 H new ATOM 181 N VAL A 15 -15.049 -3.244 -14.894 1.00 0.00 N ATOM 182 CA VAL A 15 -13.871 -3.385 -15.742 1.00 0.00 C ATOM 183 C VAL A 15 -12.597 -3.052 -14.973 1.00 0.00 C ATOM 184 O VAL A 15 -12.644 -2.431 -13.911 1.00 0.00 O ATOM 185 CB VAL A 15 -13.960 -2.478 -16.983 1.00 0.00 C ATOM 186 CG1 VAL A 15 -15.028 -2.986 -17.940 1.00 0.00 C ATOM 187 CG2 VAL A 15 -14.241 -1.040 -16.572 1.00 0.00 C ATOM 0 H VAL A 15 -15.094 -2.366 -14.377 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.836 -4.426 -16.064 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.001 -2.503 -17.500 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -15.077 -2.333 -18.811 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.779 -3.998 -18.259 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -15.995 -2.992 -17.436 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.301 -0.412 -17.461 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.186 -0.994 -16.031 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.437 -0.682 -15.929 1.00 0.00 H new ATOM 197 N THR A 16 -11.458 -3.469 -15.517 1.00 0.00 N ATOM 198 CA THR A 16 -10.170 -3.216 -14.883 1.00 0.00 C ATOM 199 C THR A 16 -9.525 -1.950 -15.435 1.00 0.00 C ATOM 200 O THR A 16 -9.412 -1.780 -16.648 1.00 0.00 O ATOM 201 CB THR A 16 -9.204 -4.400 -15.081 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.444 -5.021 -16.348 1.00 0.00 O ATOM 203 CG2 THR A 16 -9.369 -5.424 -13.969 1.00 0.00 C ATOM 0 H THR A 16 -11.401 -3.984 -16.396 1.00 0.00 H new ATOM 0 HA THR A 16 -10.362 -3.088 -13.818 1.00 0.00 H new ATOM 0 HB THR A 16 -8.184 -4.017 -15.052 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.825 -5.771 -16.467 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.677 -6.251 -14.130 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.157 -4.955 -13.008 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.392 -5.801 -13.971 1.00 0.00 H new ATOM 211 N GLN A 17 -9.103 -1.067 -14.536 1.00 0.00 N ATOM 212 CA GLN A 17 -8.468 0.184 -14.935 1.00 0.00 C ATOM 213 C GLN A 17 -7.029 0.248 -14.435 1.00 0.00 C ATOM 214 O GLN A 17 -6.764 0.047 -13.250 1.00 0.00 O ATOM 215 CB GLN A 17 -9.261 1.377 -14.398 1.00 0.00 C ATOM 216 CG GLN A 17 -8.625 2.721 -14.713 1.00 0.00 C ATOM 217 CD GLN A 17 -9.471 3.890 -14.248 1.00 0.00 C ATOM 218 OE1 GLN A 17 -8.973 4.814 -13.604 1.00 0.00 O ATOM 219 NE2 GLN A 17 -10.758 3.856 -14.572 1.00 0.00 N ATOM 0 H GLN A 17 -9.189 -1.194 -13.528 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.457 0.225 -16.024 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.267 1.353 -14.818 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.364 1.277 -13.317 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.645 2.775 -14.239 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.463 2.799 -15.788 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.129 3.071 -15.107 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.376 4.615 -14.286 1.00 0.00 H new ATOM 228 N SER A 18 -6.102 0.529 -15.346 1.00 0.00 N ATOM 229 CA SER A 18 -4.689 0.615 -14.997 1.00 0.00 C ATOM 230 C SER A 18 -4.305 2.048 -14.638 1.00 0.00 C ATOM 231 O SER A 18 -4.497 2.970 -15.431 1.00 0.00 O ATOM 232 CB SER A 18 -3.825 0.119 -16.158 1.00 0.00 C ATOM 233 OG SER A 18 -3.944 0.971 -17.283 1.00 0.00 O ATOM 0 H SER A 18 -6.304 0.701 -16.331 1.00 0.00 H new ATOM 0 HA SER A 18 -4.515 -0.018 -14.127 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.782 0.070 -15.844 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.124 -0.893 -16.431 1.00 0.00 H new ATOM 0 HG SER A 18 -4.287 1.844 -16.998 1.00 0.00 H new ATOM 239 N ILE A 19 -3.761 2.225 -13.439 1.00 0.00 N ATOM 240 CA ILE A 19 -3.348 3.544 -12.975 1.00 0.00 C ATOM 241 C ILE A 19 -1.902 3.529 -12.491 1.00 0.00 C ATOM 242 O ILE A 19 -1.590 2.946 -11.452 1.00 0.00 O ATOM 243 CB ILE A 19 -4.254 4.048 -11.836 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.655 4.354 -12.367 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.647 5.282 -11.185 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.705 4.450 -11.282 1.00 0.00 C ATOM 0 H ILE A 19 -3.596 1.472 -12.771 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.436 4.220 -13.825 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.335 3.265 -11.082 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.628 5.293 -12.919 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.945 3.577 -13.074 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.298 5.627 -10.382 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.667 5.033 -10.777 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.540 6.071 -11.930 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.674 4.669 -11.731 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.760 3.503 -10.744 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.439 5.247 -10.588 1.00 0.00 H new ATOM 258 N HIS A 20 -1.023 4.175 -13.251 1.00 0.00 N ATOM 259 CA HIS A 20 0.391 4.238 -12.898 1.00 0.00 C ATOM 260 C HIS A 20 0.809 5.671 -12.586 1.00 0.00 C ATOM 261 O HIS A 20 0.611 6.576 -13.398 1.00 0.00 O ATOM 262 CB HIS A 20 1.247 3.680 -14.036 1.00 0.00 C ATOM 263 CG HIS A 20 1.150 4.474 -15.303 1.00 0.00 C ATOM 264 ND1 HIS A 20 2.223 5.138 -15.859 1.00 0.00 N ATOM 265 CD2 HIS A 20 0.099 4.706 -16.124 1.00 0.00 C ATOM 266 CE1 HIS A 20 1.836 5.745 -16.966 1.00 0.00 C ATOM 267 NE2 HIS A 20 0.552 5.499 -17.150 1.00 0.00 N ATOM 0 H HIS A 20 -1.265 4.662 -14.114 1.00 0.00 H new ATOM 0 HA HIS A 20 0.546 3.631 -12.006 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.288 3.649 -13.715 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.945 2.652 -14.237 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.908 4.337 -15.996 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.464 6.342 -17.612 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.012 5.842 -17.928 1.00 0.00 H new ATOM 276 N ILE A 21 1.387 5.870 -11.406 1.00 0.00 N ATOM 277 CA ILE A 21 1.833 7.194 -10.988 1.00 0.00 C ATOM 278 C ILE A 21 3.345 7.335 -11.131 1.00 0.00 C ATOM 279 O ILE A 21 4.084 6.360 -10.997 1.00 0.00 O ATOM 280 CB ILE A 21 1.437 7.486 -9.529 1.00 0.00 C ATOM 281 CG1 ILE A 21 0.010 7.005 -9.259 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.565 8.973 -9.233 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.382 7.066 -7.799 1.00 0.00 C ATOM 0 H ILE A 21 1.557 5.132 -10.723 1.00 0.00 H new ATOM 0 HA ILE A 21 1.340 7.914 -11.641 1.00 0.00 H new ATOM 0 HB ILE A 21 2.114 6.944 -8.869 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.685 7.612 -9.839 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.092 5.979 -9.612 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.282 9.164 -8.198 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.597 9.288 -9.391 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.909 9.534 -9.898 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.406 6.710 -7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.290 6.437 -7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.313 8.095 -7.446 1.00 0.00 H new ATOM 295 N GLU A 22 3.797 8.555 -11.401 1.00 0.00 N ATOM 296 CA GLU A 22 5.221 8.823 -11.561 1.00 0.00 C ATOM 297 C GLU A 22 5.565 10.234 -11.092 1.00 0.00 C ATOM 298 O GLU A 22 5.082 11.221 -11.648 1.00 0.00 O ATOM 299 CB GLU A 22 5.636 8.645 -13.023 1.00 0.00 C ATOM 300 CG GLU A 22 5.573 7.204 -13.502 1.00 0.00 C ATOM 301 CD GLU A 22 6.300 6.993 -14.816 1.00 0.00 C ATOM 302 OE1 GLU A 22 7.315 7.682 -15.048 1.00 0.00 O ATOM 303 OE2 GLU A 22 5.853 6.141 -15.611 1.00 0.00 O ATOM 0 H GLU A 22 3.198 9.373 -11.513 1.00 0.00 H new ATOM 0 HA GLU A 22 5.770 8.110 -10.946 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.990 9.257 -13.652 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.652 9.018 -13.152 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.007 6.553 -12.743 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.530 6.909 -13.617 1.00 0.00 H new ATOM 310 N LYS A 23 6.403 10.323 -10.065 1.00 0.00 N ATOM 311 CA LYS A 23 6.814 11.611 -9.520 1.00 0.00 C ATOM 312 C LYS A 23 8.176 12.025 -10.069 1.00 0.00 C ATOM 313 O LYS A 23 9.054 11.187 -10.272 1.00 0.00 O ATOM 314 CB LYS A 23 6.865 11.549 -7.992 1.00 0.00 C ATOM 315 CG LYS A 23 5.532 11.201 -7.352 1.00 0.00 C ATOM 316 CD LYS A 23 5.357 11.899 -6.014 1.00 0.00 C ATOM 317 CE LYS A 23 3.897 12.236 -5.749 1.00 0.00 C ATOM 318 NZ LYS A 23 3.497 13.516 -6.395 1.00 0.00 N ATOM 0 H LYS A 23 6.811 9.517 -9.593 1.00 0.00 H new ATOM 0 HA LYS A 23 6.079 12.356 -9.823 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.607 10.809 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.202 12.512 -7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.720 11.487 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.465 10.122 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.735 11.259 -5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.951 12.813 -5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.265 11.429 -6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.729 12.304 -4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.466 13.635 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.972 14.309 -5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.773 13.500 -7.398 1.00 0.00 H new ATOM 332 N SER A 24 8.344 13.322 -10.305 1.00 0.00 N ATOM 333 CA SER A 24 9.599 13.846 -10.832 1.00 0.00 C ATOM 334 C SER A 24 10.775 13.421 -9.958 1.00 0.00 C ATOM 335 O SER A 24 11.729 12.807 -10.437 1.00 0.00 O ATOM 336 CB SER A 24 9.541 15.373 -10.922 1.00 0.00 C ATOM 337 OG SER A 24 10.794 15.909 -11.307 1.00 0.00 O ATOM 0 H SER A 24 7.628 14.029 -10.140 1.00 0.00 H new ATOM 0 HA SER A 24 9.745 13.435 -11.831 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.778 15.669 -11.642 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.246 15.786 -9.957 1.00 0.00 H new ATOM 0 HG SER A 24 10.730 16.886 -11.359 1.00 0.00 H new ATOM 343 N ASP A 25 10.700 13.753 -8.674 1.00 0.00 N ATOM 344 CA ASP A 25 11.757 13.406 -7.731 1.00 0.00 C ATOM 345 C ASP A 25 11.173 13.050 -6.367 1.00 0.00 C ATOM 346 O ASP A 25 10.351 13.786 -5.820 1.00 0.00 O ATOM 347 CB ASP A 25 12.745 14.564 -7.591 1.00 0.00 C ATOM 348 CG ASP A 25 13.699 14.657 -8.765 1.00 0.00 C ATOM 349 OD1 ASP A 25 14.580 13.780 -8.886 1.00 0.00 O ATOM 350 OD2 ASP A 25 13.565 15.607 -9.565 1.00 0.00 O ATOM 0 H ASP A 25 9.918 14.262 -8.262 1.00 0.00 H new ATOM 0 HA ASP A 25 12.284 12.534 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.193 15.500 -7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.317 14.441 -6.671 1.00 0.00 H new ATOM 355 N THR A 26 11.604 11.916 -5.822 1.00 0.00 N ATOM 356 CA THR A 26 11.123 11.462 -4.524 1.00 0.00 C ATOM 357 C THR A 26 11.674 12.330 -3.399 1.00 0.00 C ATOM 358 O THR A 26 10.958 12.671 -2.458 1.00 0.00 O ATOM 359 CB THR A 26 11.512 9.994 -4.263 1.00 0.00 C ATOM 360 OG1 THR A 26 12.932 9.884 -4.112 1.00 0.00 O ATOM 361 CG2 THR A 26 11.047 9.100 -5.402 1.00 0.00 C ATOM 0 H THR A 26 12.285 11.296 -6.260 1.00 0.00 H new ATOM 0 HA THR A 26 10.036 11.544 -4.543 1.00 0.00 H new ATOM 0 HB THR A 26 11.023 9.669 -3.345 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.172 8.949 -3.945 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.333 8.069 -5.195 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.963 9.164 -5.496 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.511 9.426 -6.333 1.00 0.00 H new ATOM 369 N ALA A 27 12.951 12.684 -3.502 1.00 0.00 N ATOM 370 CA ALA A 27 13.597 13.515 -2.494 1.00 0.00 C ATOM 371 C ALA A 27 12.641 14.579 -1.965 1.00 0.00 C ATOM 372 O ALA A 27 12.635 14.884 -0.772 1.00 0.00 O ATOM 373 CB ALA A 27 14.847 14.165 -3.068 1.00 0.00 C ATOM 0 H ALA A 27 13.558 12.408 -4.274 1.00 0.00 H new ATOM 0 HA ALA A 27 13.884 12.874 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.319 14.783 -2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 27 15.544 13.391 -3.391 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.575 14.787 -3.921 1.00 0.00 H new ATOM 379 N ALA A 28 11.835 15.141 -2.859 1.00 0.00 N ATOM 380 CA ALA A 28 10.874 16.170 -2.481 1.00 0.00 C ATOM 381 C ALA A 28 9.450 15.743 -2.821 1.00 0.00 C ATOM 382 O ALA A 28 8.610 15.587 -1.934 1.00 0.00 O ATOM 383 CB ALA A 28 11.211 17.485 -3.168 1.00 0.00 C ATOM 0 H ALA A 28 11.828 14.901 -3.850 1.00 0.00 H new ATOM 0 HA ALA A 28 10.935 16.310 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.485 18.244 -2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.210 17.805 -2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.180 17.349 -4.249 1.00 0.00 H new ATOM 389 N ASP A 29 9.185 15.557 -4.109 1.00 0.00 N ATOM 390 CA ASP A 29 7.862 15.147 -4.566 1.00 0.00 C ATOM 391 C ASP A 29 7.546 13.726 -4.112 1.00 0.00 C ATOM 392 O ASP A 29 8.127 12.760 -4.608 1.00 0.00 O ATOM 393 CB ASP A 29 7.774 15.240 -6.090 1.00 0.00 C ATOM 394 CG ASP A 29 8.256 16.578 -6.618 1.00 0.00 C ATOM 395 OD1 ASP A 29 9.085 17.218 -5.939 1.00 0.00 O ATOM 396 OD2 ASP A 29 7.803 16.984 -7.709 1.00 0.00 O ATOM 0 H ASP A 29 9.869 15.684 -4.855 1.00 0.00 H new ATOM 0 HA ASP A 29 7.128 15.821 -4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.368 14.442 -6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.742 15.080 -6.402 1.00 0.00 H new ATOM 401 N THR A 30 6.621 13.604 -3.165 1.00 0.00 N ATOM 402 CA THR A 30 6.229 12.302 -2.642 1.00 0.00 C ATOM 403 C THR A 30 4.712 12.173 -2.567 1.00 0.00 C ATOM 404 O THR A 30 4.011 13.140 -2.269 1.00 0.00 O ATOM 405 CB THR A 30 6.824 12.057 -1.242 1.00 0.00 C ATOM 406 OG1 THR A 30 6.216 10.905 -0.646 1.00 0.00 O ATOM 407 CG2 THR A 30 6.614 13.268 -0.345 1.00 0.00 C ATOM 0 H THR A 30 6.129 14.392 -2.744 1.00 0.00 H new ATOM 0 HA THR A 30 6.620 11.554 -3.331 1.00 0.00 H new ATOM 0 HB THR A 30 7.895 11.887 -1.351 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.601 10.755 0.243 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.042 13.071 0.638 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.102 14.137 -0.786 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.547 13.464 -0.243 1.00 0.00 H new ATOM 415 N TYR A 31 4.211 10.973 -2.838 1.00 0.00 N ATOM 416 CA TYR A 31 2.776 10.718 -2.803 1.00 0.00 C ATOM 417 C TYR A 31 2.169 11.200 -1.489 1.00 0.00 C ATOM 418 O TYR A 31 2.850 11.807 -0.663 1.00 0.00 O ATOM 419 CB TYR A 31 2.497 9.226 -2.989 1.00 0.00 C ATOM 420 CG TYR A 31 3.371 8.573 -4.036 1.00 0.00 C ATOM 421 CD1 TYR A 31 3.215 8.871 -5.384 1.00 0.00 C ATOM 422 CD2 TYR A 31 4.353 7.657 -3.677 1.00 0.00 C ATOM 423 CE1 TYR A 31 4.011 8.276 -6.344 1.00 0.00 C ATOM 424 CE2 TYR A 31 5.154 7.058 -4.630 1.00 0.00 C ATOM 425 CZ TYR A 31 4.979 7.370 -5.962 1.00 0.00 C ATOM 426 OH TYR A 31 5.774 6.777 -6.915 1.00 0.00 O ATOM 0 H TYR A 31 4.778 10.161 -3.084 1.00 0.00 H new ATOM 0 HA TYR A 31 2.315 11.272 -3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.643 8.716 -2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.451 9.092 -3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.459 9.580 -5.687 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.492 7.409 -2.635 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.876 8.519 -7.388 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.913 6.349 -4.334 1.00 0.00 H new ATOM 0 HH TYR A 31 6.426 6.190 -6.478 1.00 0.00 H new ATOM 436 N GLY A 32 0.882 10.925 -1.303 1.00 0.00 N ATOM 437 CA GLY A 32 0.203 11.336 -0.088 1.00 0.00 C ATOM 438 C GLY A 32 -1.059 10.537 0.171 1.00 0.00 C ATOM 439 O GLY A 32 -1.936 10.973 0.916 1.00 0.00 O ATOM 0 H GLY A 32 0.297 10.425 -1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.880 11.224 0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.049 12.394 -0.157 1.00 0.00 H new ATOM 443 N PHE A 33 -1.152 9.365 -0.448 1.00 0.00 N ATOM 444 CA PHE A 33 -2.317 8.504 -0.283 1.00 0.00 C ATOM 445 C PHE A 33 -1.988 7.306 0.603 1.00 0.00 C ATOM 446 O PHE A 33 -0.994 6.613 0.384 1.00 0.00 O ATOM 447 CB PHE A 33 -2.818 8.021 -1.646 1.00 0.00 C ATOM 448 CG PHE A 33 -2.191 6.731 -2.093 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.839 6.669 -2.388 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.954 5.581 -2.217 1.00 0.00 C ATOM 451 CE1 PHE A 33 -0.259 5.484 -2.800 1.00 0.00 C ATOM 452 CE2 PHE A 33 -2.380 4.393 -2.628 1.00 0.00 C ATOM 453 CZ PHE A 33 -1.031 4.344 -2.919 1.00 0.00 C ATOM 0 H PHE A 33 -0.435 8.990 -1.068 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.102 9.086 0.200 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.900 7.894 -1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.617 8.791 -2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.231 7.557 -2.295 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.009 5.613 -1.990 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.796 5.449 -3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.986 3.504 -2.722 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.580 3.416 -3.239 1.00 0.00 H new ATOM 463 N SER A 34 -2.828 7.070 1.606 1.00 0.00 N ATOM 464 CA SER A 34 -2.625 5.960 2.529 1.00 0.00 C ATOM 465 C SER A 34 -3.555 4.798 2.194 1.00 0.00 C ATOM 466 O SER A 34 -4.670 4.999 1.710 1.00 0.00 O ATOM 467 CB SER A 34 -2.860 6.417 3.970 1.00 0.00 C ATOM 468 OG SER A 34 -3.959 7.309 4.049 1.00 0.00 O ATOM 0 H SER A 34 -3.656 7.633 1.800 1.00 0.00 H new ATOM 0 HA SER A 34 -1.595 5.619 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.045 5.550 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.963 6.905 4.351 1.00 0.00 H new ATOM 0 HG SER A 34 -4.090 7.585 4.980 1.00 0.00 H new ATOM 474 N LEU A 35 -3.089 3.582 2.455 1.00 0.00 N ATOM 475 CA LEU A 35 -3.878 2.385 2.181 1.00 0.00 C ATOM 476 C LEU A 35 -4.223 1.653 3.475 1.00 0.00 C ATOM 477 O LEU A 35 -3.574 1.849 4.502 1.00 0.00 O ATOM 478 CB LEU A 35 -3.114 1.451 1.241 1.00 0.00 C ATOM 479 CG LEU A 35 -2.987 1.916 -0.210 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.973 1.063 -0.956 1.00 0.00 C ATOM 481 CD2 LEU A 35 -4.339 1.872 -0.905 1.00 0.00 C ATOM 0 H LEU A 35 -2.169 3.398 2.856 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.807 2.693 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.112 1.304 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.606 0.479 1.248 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.635 2.948 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.896 1.408 -1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.000 1.147 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.295 0.022 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.229 2.206 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.721 0.851 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.037 2.527 -0.384 1.00 0.00 H new ATOM 493 N SER A 36 -5.246 0.808 3.415 1.00 0.00 N ATOM 494 CA SER A 36 -5.679 0.047 4.582 1.00 0.00 C ATOM 495 C SER A 36 -5.794 -1.438 4.250 1.00 0.00 C ATOM 496 O SER A 36 -6.572 -1.832 3.381 1.00 0.00 O ATOM 497 CB SER A 36 -7.022 0.574 5.091 1.00 0.00 C ATOM 498 OG SER A 36 -7.743 -0.440 5.769 1.00 0.00 O ATOM 0 H SER A 36 -5.791 0.632 2.571 1.00 0.00 H new ATOM 0 HA SER A 36 -4.929 0.169 5.364 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.855 1.417 5.762 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.612 0.946 4.253 1.00 0.00 H new ATOM 0 HG SER A 36 -8.597 -0.078 6.086 1.00 0.00 H new ATOM 504 N SER A 37 -5.014 -2.256 4.949 1.00 0.00 N ATOM 505 CA SER A 37 -5.025 -3.697 4.727 1.00 0.00 C ATOM 506 C SER A 37 -6.124 -4.365 5.548 1.00 0.00 C ATOM 507 O SER A 37 -6.081 -4.369 6.778 1.00 0.00 O ATOM 508 CB SER A 37 -3.666 -4.300 5.087 1.00 0.00 C ATOM 509 OG SER A 37 -2.614 -3.396 4.798 1.00 0.00 O ATOM 0 H SER A 37 -4.367 -1.946 5.674 1.00 0.00 H new ATOM 0 HA SER A 37 -5.225 -3.875 3.671 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.648 -4.557 6.146 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.517 -5.226 4.532 1.00 0.00 H new ATOM 0 HG SER A 37 -1.756 -3.804 5.039 1.00 0.00 H new ATOM 515 N VAL A 38 -7.110 -4.929 4.857 1.00 0.00 N ATOM 516 CA VAL A 38 -8.221 -5.601 5.521 1.00 0.00 C ATOM 517 C VAL A 38 -8.244 -7.088 5.183 1.00 0.00 C ATOM 518 O VAL A 38 -8.180 -7.470 4.015 1.00 0.00 O ATOM 519 CB VAL A 38 -9.572 -4.975 5.126 1.00 0.00 C ATOM 520 CG1 VAL A 38 -10.674 -5.450 6.061 1.00 0.00 C ATOM 521 CG2 VAL A 38 -9.476 -3.457 5.130 1.00 0.00 C ATOM 0 H VAL A 38 -7.162 -4.934 3.838 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.071 -5.477 6.594 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.822 -5.298 4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.621 -4.998 5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.757 -6.535 6.004 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.435 -5.158 7.083 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.439 -3.031 4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.204 -3.112 6.128 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.716 -3.139 4.416 1.00 0.00 H new ATOM 531 N GLU A 39 -8.338 -7.922 6.214 1.00 0.00 N ATOM 532 CA GLU A 39 -8.370 -9.368 6.026 1.00 0.00 C ATOM 533 C GLU A 39 -9.792 -9.903 6.163 1.00 0.00 C ATOM 534 O GLU A 39 -10.424 -9.754 7.208 1.00 0.00 O ATOM 535 CB GLU A 39 -7.454 -10.057 7.040 1.00 0.00 C ATOM 536 CG GLU A 39 -6.876 -11.371 6.543 1.00 0.00 C ATOM 537 CD GLU A 39 -6.574 -12.338 7.671 1.00 0.00 C ATOM 538 OE1 GLU A 39 -7.484 -12.609 8.482 1.00 0.00 O ATOM 539 OE2 GLU A 39 -5.426 -12.825 7.743 1.00 0.00 O ATOM 0 H GLU A 39 -8.393 -7.622 7.187 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.014 -9.586 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.636 -9.383 7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.014 -10.240 7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.579 -11.834 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.961 -11.173 5.984 1.00 0.00 H new ATOM 546 N GLU A 40 -10.289 -10.526 5.099 1.00 0.00 N ATOM 547 CA GLU A 40 -11.637 -11.082 5.100 1.00 0.00 C ATOM 548 C GLU A 40 -11.630 -12.527 4.609 1.00 0.00 C ATOM 549 O GLU A 40 -11.329 -12.797 3.446 1.00 0.00 O ATOM 550 CB GLU A 40 -12.561 -10.238 4.220 1.00 0.00 C ATOM 551 CG GLU A 40 -12.797 -8.835 4.755 1.00 0.00 C ATOM 552 CD GLU A 40 -11.746 -7.848 4.286 1.00 0.00 C ATOM 553 OE1 GLU A 40 -10.577 -8.259 4.124 1.00 0.00 O ATOM 554 OE2 GLU A 40 -12.091 -6.666 4.082 1.00 0.00 O ATOM 0 H GLU A 40 -9.779 -10.658 4.226 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.008 -11.066 6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.133 -10.169 3.220 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.520 -10.747 4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.781 -8.490 4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.804 -8.862 5.845 1.00 0.00 H new ATOM 561 N ASP A 41 -11.962 -13.451 5.504 1.00 0.00 N ATOM 562 CA ASP A 41 -11.995 -14.869 5.163 1.00 0.00 C ATOM 563 C ASP A 41 -10.610 -15.361 4.753 1.00 0.00 C ATOM 564 O ASP A 41 -10.477 -16.204 3.868 1.00 0.00 O ATOM 565 CB ASP A 41 -12.994 -15.120 4.033 1.00 0.00 C ATOM 566 CG ASP A 41 -14.396 -15.381 4.548 1.00 0.00 C ATOM 567 OD1 ASP A 41 -14.874 -14.595 5.393 1.00 0.00 O ATOM 568 OD2 ASP A 41 -15.016 -16.370 4.105 1.00 0.00 O ATOM 0 H ASP A 41 -12.212 -13.244 6.471 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.311 -15.423 6.047 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.009 -14.257 3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.662 -15.973 3.442 1.00 0.00 H new ATOM 573 N GLY A 42 -9.581 -14.827 5.404 1.00 0.00 N ATOM 574 CA GLY A 42 -8.220 -15.224 5.093 1.00 0.00 C ATOM 575 C GLY A 42 -7.628 -14.417 3.954 1.00 0.00 C ATOM 576 O GLY A 42 -6.410 -14.260 3.865 1.00 0.00 O ATOM 0 H GLY A 42 -9.665 -14.127 6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.598 -15.105 5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.204 -16.282 4.832 1.00 0.00 H new ATOM 580 N ILE A 43 -8.490 -13.907 3.081 1.00 0.00 N ATOM 581 CA ILE A 43 -8.044 -13.114 1.943 1.00 0.00 C ATOM 582 C ILE A 43 -7.755 -11.674 2.356 1.00 0.00 C ATOM 583 O ILE A 43 -8.623 -10.985 2.890 1.00 0.00 O ATOM 584 CB ILE A 43 -9.091 -13.112 0.814 1.00 0.00 C ATOM 585 CG1 ILE A 43 -9.561 -14.538 0.522 1.00 0.00 C ATOM 586 CG2 ILE A 43 -8.516 -12.471 -0.441 1.00 0.00 C ATOM 587 CD1 ILE A 43 -10.977 -14.611 -0.006 1.00 0.00 C ATOM 0 H ILE A 43 -9.501 -14.029 3.140 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.127 -13.575 1.576 1.00 0.00 H new ATOM 0 HB ILE A 43 -9.951 -12.525 1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.887 -14.993 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.491 -15.129 1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.268 -12.477 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.226 -11.443 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.642 -13.033 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.243 -15.652 -0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -11.661 -14.186 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.048 -14.048 -0.936 1.00 0.00 H new ATOM 599 N ARG A 44 -6.529 -11.227 2.102 1.00 0.00 N ATOM 600 CA ARG A 44 -6.125 -9.869 2.447 1.00 0.00 C ATOM 601 C ARG A 44 -6.351 -8.920 1.273 1.00 0.00 C ATOM 602 O ARG A 44 -6.066 -9.260 0.125 1.00 0.00 O ATOM 603 CB ARG A 44 -4.653 -9.842 2.863 1.00 0.00 C ATOM 604 CG ARG A 44 -4.307 -8.699 3.802 1.00 0.00 C ATOM 605 CD ARG A 44 -2.847 -8.292 3.671 1.00 0.00 C ATOM 606 NE ARG A 44 -2.334 -7.690 4.898 1.00 0.00 N ATOM 607 CZ ARG A 44 -2.184 -8.357 6.037 1.00 0.00 C ATOM 608 NH1 ARG A 44 -2.505 -9.641 6.104 1.00 0.00 N ATOM 609 NH2 ARG A 44 -1.710 -7.739 7.112 1.00 0.00 N ATOM 0 H ARG A 44 -5.799 -11.785 1.659 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.738 -9.536 3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.403 -10.786 3.346 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.033 -9.768 1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.945 -7.843 3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.512 -8.997 4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.248 -9.167 3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.740 -7.585 2.848 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.077 -6.703 4.880 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.868 -10.120 5.280 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.389 -10.151 6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.461 -6.751 7.064 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.595 -8.252 7.986 1.00 0.00 H new ATOM 623 N ARG A 45 -6.864 -7.731 1.570 1.00 0.00 N ATOM 624 CA ARG A 45 -7.129 -6.734 0.540 1.00 0.00 C ATOM 625 C ARG A 45 -6.677 -5.350 0.994 1.00 0.00 C ATOM 626 O ARG A 45 -6.511 -5.099 2.189 1.00 0.00 O ATOM 627 CB ARG A 45 -8.620 -6.709 0.197 1.00 0.00 C ATOM 628 CG ARG A 45 -9.135 -8.018 -0.379 1.00 0.00 C ATOM 629 CD ARG A 45 -9.628 -8.952 0.715 1.00 0.00 C ATOM 630 NE ARG A 45 -10.682 -9.844 0.239 1.00 0.00 N ATOM 631 CZ ARG A 45 -11.879 -9.422 -0.153 1.00 0.00 C ATOM 632 NH1 ARG A 45 -12.172 -8.129 -0.127 1.00 0.00 N ATOM 633 NH2 ARG A 45 -12.786 -10.295 -0.574 1.00 0.00 N ATOM 0 H ARG A 45 -7.105 -7.434 2.516 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.563 -7.008 -0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.187 -6.470 1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.806 -5.909 -0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.946 -7.815 -1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.341 -8.505 -0.945 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.793 -9.545 1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.002 -8.364 1.553 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.489 -10.845 0.206 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.477 -7.455 0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.092 -7.808 -0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.564 -11.290 -0.597 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.705 -9.971 -0.875 1.00 0.00 H new ATOM 647 N LEU A 46 -6.478 -4.454 0.034 1.00 0.00 N ATOM 648 CA LEU A 46 -6.044 -3.094 0.334 1.00 0.00 C ATOM 649 C LEU A 46 -7.091 -2.077 -0.112 1.00 0.00 C ATOM 650 O LEU A 46 -7.817 -2.303 -1.081 1.00 0.00 O ATOM 651 CB LEU A 46 -4.708 -2.801 -0.350 1.00 0.00 C ATOM 652 CG LEU A 46 -3.453 -3.140 0.455 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.270 -2.154 1.598 1.00 0.00 C ATOM 654 CD2 LEU A 46 -3.527 -4.565 0.983 1.00 0.00 C ATOM 0 H LEU A 46 -6.610 -4.645 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.919 -3.009 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.674 -3.355 -1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.677 -1.741 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.589 -3.063 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.372 -2.411 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.171 -1.146 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.136 -2.198 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.626 -4.789 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.400 -4.669 1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.609 -5.259 0.147 1.00 0.00 H new ATOM 666 N TYR A 47 -7.161 -0.958 0.599 1.00 0.00 N ATOM 667 CA TYR A 47 -8.118 0.094 0.276 1.00 0.00 C ATOM 668 C TYR A 47 -7.545 1.470 0.598 1.00 0.00 C ATOM 669 O TYR A 47 -6.940 1.673 1.651 1.00 0.00 O ATOM 670 CB TYR A 47 -9.422 -0.121 1.047 1.00 0.00 C ATOM 671 CG TYR A 47 -10.035 -1.486 0.831 1.00 0.00 C ATOM 672 CD1 TYR A 47 -9.606 -2.586 1.563 1.00 0.00 C ATOM 673 CD2 TYR A 47 -11.044 -1.676 -0.106 1.00 0.00 C ATOM 674 CE1 TYR A 47 -10.163 -3.835 1.368 1.00 0.00 C ATOM 675 CE2 TYR A 47 -11.608 -2.921 -0.306 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.164 -3.997 0.433 1.00 0.00 C ATOM 677 OH TYR A 47 -11.722 -5.239 0.236 1.00 0.00 O ATOM 0 H TYR A 47 -6.567 -0.755 1.403 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.323 0.048 -0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.232 0.019 2.111 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.141 0.642 0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.824 -2.463 2.297 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.393 -0.836 -0.688 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.817 -4.680 1.944 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.392 -3.051 -1.037 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.413 -5.181 -0.456 1.00 0.00 H new ATOM 687 N VAL A 48 -7.739 2.414 -0.317 1.00 0.00 N ATOM 688 CA VAL A 48 -7.244 3.773 -0.132 1.00 0.00 C ATOM 689 C VAL A 48 -7.978 4.475 1.005 1.00 0.00 C ATOM 690 O VAL A 48 -9.136 4.866 0.862 1.00 0.00 O ATOM 691 CB VAL A 48 -7.396 4.606 -1.418 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.944 6.039 -1.183 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.614 3.972 -2.559 1.00 0.00 C ATOM 0 H VAL A 48 -8.236 2.263 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.186 3.693 0.117 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.450 4.624 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.059 6.612 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.552 6.488 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.897 6.045 -0.880 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.733 4.574 -3.460 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.558 3.922 -2.293 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.990 2.966 -2.743 1.00 0.00 H new ATOM 703 N ASN A 49 -7.295 4.633 2.134 1.00 0.00 N ATOM 704 CA ASN A 49 -7.882 5.289 3.297 1.00 0.00 C ATOM 705 C ASN A 49 -7.962 6.798 3.088 1.00 0.00 C ATOM 706 O ASN A 49 -8.954 7.433 3.448 1.00 0.00 O ATOM 707 CB ASN A 49 -7.063 4.979 4.551 1.00 0.00 C ATOM 708 CG ASN A 49 -7.551 3.736 5.269 1.00 0.00 C ATOM 709 OD1 ASN A 49 -8.334 2.958 4.724 1.00 0.00 O ATOM 710 ND2 ASN A 49 -7.090 3.544 6.500 1.00 0.00 N ATOM 0 H ASN A 49 -6.335 4.316 2.268 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.893 4.904 3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.017 4.848 4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.109 5.830 5.231 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.384 2.725 7.033 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.442 4.215 6.912 1.00 0.00 H new ATOM 717 N SER A 50 -6.912 7.365 2.503 1.00 0.00 N ATOM 718 CA SER A 50 -6.862 8.800 2.249 1.00 0.00 C ATOM 719 C SER A 50 -6.104 9.097 0.959 1.00 0.00 C ATOM 720 O SER A 50 -5.424 8.228 0.410 1.00 0.00 O ATOM 721 CB SER A 50 -6.198 9.525 3.422 1.00 0.00 C ATOM 722 OG SER A 50 -6.466 10.915 3.379 1.00 0.00 O ATOM 0 H SER A 50 -6.085 6.853 2.196 1.00 0.00 H new ATOM 0 HA SER A 50 -7.885 9.160 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.561 9.110 4.362 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.121 9.358 3.394 1.00 0.00 H new ATOM 0 HG SER A 50 -6.032 11.355 4.140 1.00 0.00 H new ATOM 728 N VAL A 51 -6.225 10.330 0.478 1.00 0.00 N ATOM 729 CA VAL A 51 -5.551 10.744 -0.747 1.00 0.00 C ATOM 730 C VAL A 51 -5.116 12.202 -0.669 1.00 0.00 C ATOM 731 O VAL A 51 -5.815 13.042 -0.102 1.00 0.00 O ATOM 732 CB VAL A 51 -6.458 10.554 -1.977 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.808 11.151 -3.216 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.771 9.081 -2.187 1.00 0.00 C ATOM 0 H VAL A 51 -6.784 11.061 0.919 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.670 10.111 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.397 11.079 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.463 11.008 -4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.641 12.217 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.854 10.657 -3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.413 8.966 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.843 8.531 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.282 8.689 -1.308 1.00 0.00 H new ATOM 744 N LYS A 52 -3.955 12.499 -1.244 1.00 0.00 N ATOM 745 CA LYS A 52 -3.425 13.857 -1.242 1.00 0.00 C ATOM 746 C LYS A 52 -4.391 14.819 -1.927 1.00 0.00 C ATOM 747 O LYS A 52 -5.412 14.403 -2.473 1.00 0.00 O ATOM 748 CB LYS A 52 -2.066 13.897 -1.944 1.00 0.00 C ATOM 749 CG LYS A 52 -2.069 13.239 -3.313 1.00 0.00 C ATOM 750 CD LYS A 52 -0.732 12.585 -3.620 1.00 0.00 C ATOM 751 CE LYS A 52 0.419 13.568 -3.462 1.00 0.00 C ATOM 752 NZ LYS A 52 0.595 14.416 -4.673 1.00 0.00 N ATOM 0 H LYS A 52 -3.363 11.816 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.301 14.170 -0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.752 14.935 -2.050 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.326 13.403 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.860 12.490 -3.356 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.294 13.985 -4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.580 11.735 -2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.742 12.195 -4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.236 14.205 -2.596 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.340 13.020 -3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.594 14.693 -4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.309 13.880 -5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.006 15.269 -4.588 1.00 0.00 H new ATOM 766 N GLU A 53 -4.060 16.106 -1.895 1.00 0.00 N ATOM 767 CA GLU A 53 -4.899 17.126 -2.513 1.00 0.00 C ATOM 768 C GLU A 53 -4.342 17.537 -3.873 1.00 0.00 C ATOM 769 O GLU A 53 -3.173 17.905 -3.993 1.00 0.00 O ATOM 770 CB GLU A 53 -5.008 18.350 -1.602 1.00 0.00 C ATOM 771 CG GLU A 53 -6.321 19.101 -1.746 1.00 0.00 C ATOM 772 CD GLU A 53 -6.287 20.129 -2.860 1.00 0.00 C ATOM 773 OE1 GLU A 53 -6.418 19.732 -4.037 1.00 0.00 O ATOM 774 OE2 GLU A 53 -6.128 21.330 -2.556 1.00 0.00 O ATOM 0 H GLU A 53 -3.217 16.467 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.893 16.703 -2.660 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.893 18.033 -0.566 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.184 19.030 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.123 18.389 -1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.556 19.598 -0.805 1.00 0.00 H new ATOM 781 N THR A 54 -5.188 17.473 -4.897 1.00 0.00 N ATOM 782 CA THR A 54 -4.781 17.837 -6.248 1.00 0.00 C ATOM 783 C THR A 54 -3.368 17.349 -6.547 1.00 0.00 C ATOM 784 O THR A 54 -2.528 18.108 -7.027 1.00 0.00 O ATOM 785 CB THR A 54 -4.842 19.361 -6.462 1.00 0.00 C ATOM 786 OG1 THR A 54 -4.455 19.683 -7.802 1.00 0.00 O ATOM 787 CG2 THR A 54 -3.932 20.082 -5.479 1.00 0.00 C ATOM 0 H THR A 54 -6.159 17.172 -4.816 1.00 0.00 H new ATOM 0 HA THR A 54 -5.481 17.354 -6.930 1.00 0.00 H new ATOM 0 HB THR A 54 -5.867 19.689 -6.292 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.525 19.410 -7.949 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.992 21.157 -5.649 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.247 19.858 -4.460 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.904 19.748 -5.623 1.00 0.00 H new ATOM 795 N GLY A 55 -3.114 16.075 -6.261 1.00 0.00 N ATOM 796 CA GLY A 55 -1.801 15.508 -6.507 1.00 0.00 C ATOM 797 C GLY A 55 -1.770 14.632 -7.744 1.00 0.00 C ATOM 798 O GLY A 55 -2.261 15.025 -8.804 1.00 0.00 O ATOM 0 H GLY A 55 -3.794 15.426 -5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.076 16.314 -6.618 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.494 14.920 -5.642 1.00 0.00 H new ATOM 802 N LEU A 56 -1.192 13.444 -7.612 1.00 0.00 N ATOM 803 CA LEU A 56 -1.097 12.510 -8.728 1.00 0.00 C ATOM 804 C LEU A 56 -2.195 11.454 -8.650 1.00 0.00 C ATOM 805 O LEU A 56 -2.783 11.080 -9.664 1.00 0.00 O ATOM 806 CB LEU A 56 0.276 11.835 -8.740 1.00 0.00 C ATOM 807 CG LEU A 56 1.480 12.766 -8.887 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.729 11.972 -9.237 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.208 13.828 -9.943 1.00 0.00 C ATOM 0 H LEU A 56 -0.782 13.104 -6.742 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.226 13.074 -9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.389 11.271 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.297 11.114 -9.557 1.00 0.00 H new ATOM 0 HG LEU A 56 1.647 13.266 -7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.576 12.651 -9.338 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.935 11.250 -8.447 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.573 11.445 -10.178 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.076 14.481 -10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.014 13.347 -10.902 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.339 14.417 -9.651 1.00 0.00 H new ATOM 821 N ALA A 57 -2.467 10.980 -7.439 1.00 0.00 N ATOM 822 CA ALA A 57 -3.497 9.970 -7.227 1.00 0.00 C ATOM 823 C ALA A 57 -4.891 10.568 -7.382 1.00 0.00 C ATOM 824 O ALA A 57 -5.809 9.908 -7.869 1.00 0.00 O ATOM 825 CB ALA A 57 -3.341 9.338 -5.852 1.00 0.00 C ATOM 0 H ALA A 57 -1.988 11.279 -6.589 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.375 9.197 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.116 8.586 -5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.361 8.868 -5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.434 10.107 -5.085 1.00 0.00 H new ATOM 831 N SER A 58 -5.043 11.821 -6.965 1.00 0.00 N ATOM 832 CA SER A 58 -6.327 12.506 -7.053 1.00 0.00 C ATOM 833 C SER A 58 -6.675 12.823 -8.505 1.00 0.00 C ATOM 834 O SER A 58 -7.814 12.644 -8.936 1.00 0.00 O ATOM 835 CB SER A 58 -6.299 13.795 -6.231 1.00 0.00 C ATOM 836 OG SER A 58 -7.322 14.685 -6.642 1.00 0.00 O ATOM 0 H SER A 58 -4.292 12.382 -6.563 1.00 0.00 H new ATOM 0 HA SER A 58 -7.093 11.843 -6.650 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.422 13.559 -5.174 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.328 14.278 -6.339 1.00 0.00 H new ATOM 0 HG SER A 58 -7.283 15.501 -6.100 1.00 0.00 H new ATOM 842 N LYS A 59 -5.684 13.295 -9.254 1.00 0.00 N ATOM 843 CA LYS A 59 -5.882 13.636 -10.658 1.00 0.00 C ATOM 844 C LYS A 59 -6.088 12.381 -11.500 1.00 0.00 C ATOM 845 O LYS A 59 -6.951 12.344 -12.377 1.00 0.00 O ATOM 846 CB LYS A 59 -4.682 14.426 -11.186 1.00 0.00 C ATOM 847 CG LYS A 59 -3.454 13.569 -11.438 1.00 0.00 C ATOM 848 CD LYS A 59 -2.275 14.408 -11.902 1.00 0.00 C ATOM 849 CE LYS A 59 -2.566 15.095 -13.228 1.00 0.00 C ATOM 850 NZ LYS A 59 -1.363 15.784 -13.772 1.00 0.00 N ATOM 0 H LYS A 59 -4.736 13.450 -8.912 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.778 14.253 -10.733 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.965 14.923 -12.114 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.429 15.208 -10.470 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.187 13.037 -10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.684 12.815 -12.191 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.041 15.158 -11.146 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.394 13.774 -12.005 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.919 14.358 -13.949 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.369 15.819 -13.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.603 16.239 -14.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.040 16.505 -13.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.604 15.089 -13.925 1.00 0.00 H new ATOM 864 N LYS A 60 -5.291 11.354 -11.226 1.00 0.00 N ATOM 865 CA LYS A 60 -5.387 10.095 -11.956 1.00 0.00 C ATOM 866 C LYS A 60 -6.799 9.524 -11.872 1.00 0.00 C ATOM 867 O LYS A 60 -7.494 9.412 -12.881 1.00 0.00 O ATOM 868 CB LYS A 60 -4.382 9.083 -11.401 1.00 0.00 C ATOM 869 CG LYS A 60 -3.084 9.020 -12.188 1.00 0.00 C ATOM 870 CD LYS A 60 -2.650 10.399 -12.657 1.00 0.00 C ATOM 871 CE LYS A 60 -1.197 10.402 -13.107 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.760 11.752 -13.559 1.00 0.00 N ATOM 0 H LYS A 60 -4.571 11.369 -10.504 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.155 10.292 -13.003 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.157 9.338 -10.365 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.841 8.094 -11.394 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.302 8.583 -11.567 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.211 8.365 -13.050 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.288 10.722 -13.480 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.783 11.118 -11.849 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.562 10.071 -12.286 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.067 9.687 -13.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.212 11.663 -14.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.595 12.348 -13.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.168 12.189 -12.824 1.00 0.00 H new ATOM 886 N GLY A 61 -7.217 9.166 -10.662 1.00 0.00 N ATOM 887 CA GLY A 61 -8.545 8.612 -10.470 1.00 0.00 C ATOM 888 C GLY A 61 -8.662 7.819 -9.183 1.00 0.00 C ATOM 889 O GLY A 61 -9.350 6.799 -9.134 1.00 0.00 O ATOM 0 H GLY A 61 -6.660 9.250 -9.811 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.275 9.421 -10.462 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.792 7.968 -11.314 1.00 0.00 H new ATOM 893 N LEU A 62 -7.987 8.287 -8.139 1.00 0.00 N ATOM 894 CA LEU A 62 -8.017 7.614 -6.845 1.00 0.00 C ATOM 895 C LEU A 62 -8.675 8.494 -5.788 1.00 0.00 C ATOM 896 O LEU A 62 -8.555 9.719 -5.822 1.00 0.00 O ATOM 897 CB LEU A 62 -6.598 7.245 -6.407 1.00 0.00 C ATOM 898 CG LEU A 62 -6.091 5.874 -6.857 1.00 0.00 C ATOM 899 CD1 LEU A 62 -4.571 5.843 -6.862 1.00 0.00 C ATOM 900 CD2 LEU A 62 -6.647 4.779 -5.958 1.00 0.00 C ATOM 0 H LEU A 62 -7.412 9.129 -8.163 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.607 6.703 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.914 8.005 -6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.553 7.288 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.440 5.693 -7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.228 4.860 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.194 6.602 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.200 6.045 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.276 3.810 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.328 4.955 -4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.736 4.787 -6.006 1.00 0.00 H new ATOM 912 N LYS A 63 -9.369 7.862 -4.848 1.00 0.00 N ATOM 913 CA LYS A 63 -10.044 8.586 -3.777 1.00 0.00 C ATOM 914 C LYS A 63 -10.144 7.729 -2.519 1.00 0.00 C ATOM 915 O LYS A 63 -9.928 6.519 -2.563 1.00 0.00 O ATOM 916 CB LYS A 63 -11.443 9.016 -4.227 1.00 0.00 C ATOM 917 CG LYS A 63 -11.475 10.380 -4.893 1.00 0.00 C ATOM 918 CD LYS A 63 -11.085 11.484 -3.924 1.00 0.00 C ATOM 919 CE LYS A 63 -11.770 12.797 -4.270 1.00 0.00 C ATOM 920 NZ LYS A 63 -11.690 13.776 -3.150 1.00 0.00 N ATOM 0 H LYS A 63 -9.479 6.849 -4.806 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.455 9.473 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.837 8.273 -4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.106 9.028 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.795 10.386 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.475 10.573 -5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.352 11.190 -2.909 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.004 11.621 -3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.308 13.224 -5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.816 12.608 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.168 14.658 -3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.153 13.379 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.692 13.976 -2.934 1.00 0.00 H new ATOM 934 N ALA A 64 -10.475 8.365 -1.400 1.00 0.00 N ATOM 935 CA ALA A 64 -10.607 7.660 -0.131 1.00 0.00 C ATOM 936 C ALA A 64 -11.855 6.783 -0.118 1.00 0.00 C ATOM 937 O ALA A 64 -12.933 7.228 0.272 1.00 0.00 O ATOM 938 CB ALA A 64 -10.644 8.652 1.022 1.00 0.00 C ATOM 0 H ALA A 64 -10.657 9.367 -1.347 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.739 7.012 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.743 8.112 1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.722 9.233 1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.494 9.323 0.898 1.00 0.00 H new ATOM 944 N GLY A 65 -11.699 5.535 -0.548 1.00 0.00 N ATOM 945 CA GLY A 65 -12.822 4.616 -0.577 1.00 0.00 C ATOM 946 C GLY A 65 -12.747 3.645 -1.740 1.00 0.00 C ATOM 947 O GLY A 65 -13.771 3.265 -2.307 1.00 0.00 O ATOM 0 H GLY A 65 -10.816 5.144 -0.877 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.854 4.057 0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.750 5.184 -0.641 1.00 0.00 H new ATOM 951 N ASP A 66 -11.531 3.245 -2.096 1.00 0.00 N ATOM 952 CA ASP A 66 -11.325 2.314 -3.199 1.00 0.00 C ATOM 953 C ASP A 66 -10.621 1.049 -2.718 1.00 0.00 C ATOM 954 O ASP A 66 -10.136 0.989 -1.589 1.00 0.00 O ATOM 955 CB ASP A 66 -10.508 2.976 -4.309 1.00 0.00 C ATOM 956 CG ASP A 66 -11.378 3.722 -5.302 1.00 0.00 C ATOM 957 OD1 ASP A 66 -12.260 3.084 -5.913 1.00 0.00 O ATOM 958 OD2 ASP A 66 -11.175 4.943 -5.469 1.00 0.00 O ATOM 0 H ASP A 66 -10.673 3.551 -1.637 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.302 2.037 -3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.792 3.668 -3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.932 2.215 -4.835 1.00 0.00 H new ATOM 963 N GLU A 67 -10.571 0.040 -3.582 1.00 0.00 N ATOM 964 CA GLU A 67 -9.928 -1.224 -3.244 1.00 0.00 C ATOM 965 C GLU A 67 -8.843 -1.571 -4.259 1.00 0.00 C ATOM 966 O GLU A 67 -9.088 -1.582 -5.465 1.00 0.00 O ATOM 967 CB GLU A 67 -10.964 -2.349 -3.184 1.00 0.00 C ATOM 968 CG GLU A 67 -11.173 -3.056 -4.512 1.00 0.00 C ATOM 969 CD GLU A 67 -12.322 -4.045 -4.473 1.00 0.00 C ATOM 970 OE1 GLU A 67 -13.484 -3.601 -4.364 1.00 0.00 O ATOM 971 OE2 GLU A 67 -12.058 -5.263 -4.551 1.00 0.00 O ATOM 0 H GLU A 67 -10.968 0.073 -4.521 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.463 -1.115 -2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.651 -3.080 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.916 -1.937 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.363 -2.314 -5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.258 -3.579 -4.789 1.00 0.00 H new ATOM 978 N ILE A 68 -7.644 -1.854 -3.760 1.00 0.00 N ATOM 979 CA ILE A 68 -6.522 -2.202 -4.623 1.00 0.00 C ATOM 980 C ILE A 68 -6.582 -3.667 -5.039 1.00 0.00 C ATOM 981 O ILE A 68 -6.964 -4.533 -4.250 1.00 0.00 O ATOM 982 CB ILE A 68 -5.174 -1.932 -3.928 1.00 0.00 C ATOM 983 CG1 ILE A 68 -5.185 -0.554 -3.262 1.00 0.00 C ATOM 984 CG2 ILE A 68 -4.033 -2.033 -4.930 1.00 0.00 C ATOM 985 CD1 ILE A 68 -5.347 0.588 -4.240 1.00 0.00 C ATOM 0 H ILE A 68 -7.425 -1.849 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.598 -1.572 -5.509 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.022 -2.686 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.996 -0.517 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.255 -0.419 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.087 -1.840 -4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.016 -3.033 -5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.178 -1.298 -5.722 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.346 1.534 -3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.522 0.577 -4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.290 0.477 -4.775 1.00 0.00 H new ATOM 997 N LEU A 69 -6.201 -3.940 -6.282 1.00 0.00 N ATOM 998 CA LEU A 69 -6.209 -5.302 -6.804 1.00 0.00 C ATOM 999 C LEU A 69 -4.789 -5.845 -6.931 1.00 0.00 C ATOM 1000 O LEU A 69 -4.514 -6.984 -6.555 1.00 0.00 O ATOM 1001 CB LEU A 69 -6.908 -5.344 -8.164 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.344 -4.822 -8.197 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -8.843 -4.722 -9.630 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.257 -5.719 -7.374 1.00 0.00 C ATOM 0 H LEU A 69 -5.882 -3.236 -6.948 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.757 -5.931 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.316 -4.765 -8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.909 -6.375 -8.518 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.357 -3.824 -7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.867 -4.349 -9.633 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.206 -4.038 -10.190 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.815 -5.708 -10.095 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.275 -5.332 -7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.239 -6.729 -7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.912 -5.739 -6.340 1.00 0.00 H new ATOM 1016 N GLU A 70 -3.892 -5.021 -7.463 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.500 -5.419 -7.638 1.00 0.00 C ATOM 1018 C GLU A 70 -1.583 -4.199 -7.655 1.00 0.00 C ATOM 1019 O GLU A 70 -2.031 -3.076 -7.888 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.333 -6.214 -8.935 1.00 0.00 C ATOM 1021 CG GLU A 70 -2.738 -7.673 -8.811 1.00 0.00 C ATOM 1022 CD GLU A 70 -2.604 -8.429 -10.119 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -1.457 -8.642 -10.565 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -3.645 -8.806 -10.696 1.00 0.00 O ATOM 0 H GLU A 70 -4.104 -4.075 -7.780 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.221 -6.050 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.929 -5.745 -9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.292 -6.160 -9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.121 -8.154 -8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.770 -7.732 -8.466 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.298 -4.429 -7.405 1.00 0.00 N ATOM 1032 CA ILE A 71 0.682 -3.350 -7.392 1.00 0.00 C ATOM 1033 C ILE A 71 1.928 -3.729 -8.184 1.00 0.00 C ATOM 1034 O ILE A 71 2.778 -4.478 -7.703 1.00 0.00 O ATOM 1035 CB ILE A 71 1.093 -2.981 -5.954 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.145 -2.831 -5.068 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.912 -1.699 -5.950 1.00 0.00 C ATOM 1038 CD1 ILE A 71 0.177 -2.708 -3.596 1.00 0.00 C ATOM 0 H ILE A 71 0.088 -5.352 -7.209 1.00 0.00 H new ATOM 0 HA ILE A 71 0.207 -2.487 -7.859 1.00 0.00 H new ATOM 0 HB ILE A 71 1.709 -3.785 -5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.704 -1.950 -5.384 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.796 -3.692 -5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.195 -1.451 -4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.810 -1.839 -6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.318 -0.887 -6.369 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.748 -2.605 -3.029 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.709 -3.600 -3.264 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.803 -1.831 -3.432 1.00 0.00 H new ATOM 1050 N ASN A 72 2.030 -3.206 -9.402 1.00 0.00 N ATOM 1051 CA ASN A 72 3.174 -3.488 -10.261 1.00 0.00 C ATOM 1052 C ASN A 72 3.268 -4.980 -10.569 1.00 0.00 C ATOM 1053 O ASN A 72 4.350 -5.563 -10.540 1.00 0.00 O ATOM 1054 CB ASN A 72 4.468 -3.011 -9.598 1.00 0.00 C ATOM 1055 CG ASN A 72 4.329 -1.630 -8.988 1.00 0.00 C ATOM 1056 OD1 ASN A 72 3.228 -1.085 -8.901 1.00 0.00 O ATOM 1057 ND2 ASN A 72 5.449 -1.055 -8.564 1.00 0.00 N ATOM 0 H ASN A 72 1.335 -2.585 -9.816 1.00 0.00 H new ATOM 0 HA ASN A 72 3.034 -2.949 -11.198 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.759 -3.720 -8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.269 -3.000 -10.337 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.418 -0.125 -8.146 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.340 -1.544 -8.656 1.00 0.00 H new ATOM 1064 N ASN A 73 2.125 -5.590 -10.865 1.00 0.00 N ATOM 1065 CA ASN A 73 2.077 -7.014 -11.179 1.00 0.00 C ATOM 1066 C ASN A 73 2.289 -7.855 -9.924 1.00 0.00 C ATOM 1067 O ASN A 73 2.892 -8.926 -9.977 1.00 0.00 O ATOM 1068 CB ASN A 73 3.139 -7.362 -12.224 1.00 0.00 C ATOM 1069 CG ASN A 73 2.752 -8.566 -13.061 1.00 0.00 C ATOM 1070 OD1 ASN A 73 1.818 -9.295 -12.727 1.00 0.00 O ATOM 1071 ND2 ASN A 73 3.472 -8.781 -14.156 1.00 0.00 N ATOM 0 H ASN A 73 1.220 -5.121 -10.894 1.00 0.00 H new ATOM 0 HA ASN A 73 1.090 -7.239 -11.583 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.297 -6.504 -12.877 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.087 -7.560 -11.723 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.259 -9.576 -14.758 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.238 -8.151 -14.395 1.00 0.00 H new ATOM 1078 N ARG A 74 1.787 -7.361 -8.796 1.00 0.00 N ATOM 1079 CA ARG A 74 1.921 -8.067 -7.527 1.00 0.00 C ATOM 1080 C ARG A 74 0.597 -8.077 -6.769 1.00 0.00 C ATOM 1081 O ARG A 74 -0.117 -7.075 -6.733 1.00 0.00 O ATOM 1082 CB ARG A 74 3.007 -7.416 -6.670 1.00 0.00 C ATOM 1083 CG ARG A 74 4.374 -7.389 -7.334 1.00 0.00 C ATOM 1084 CD ARG A 74 5.172 -8.645 -7.018 1.00 0.00 C ATOM 1085 NE ARG A 74 6.193 -8.913 -8.027 1.00 0.00 N ATOM 1086 CZ ARG A 74 6.892 -10.042 -8.082 1.00 0.00 C ATOM 1087 NH1 ARG A 74 6.681 -11.001 -7.191 1.00 0.00 N ATOM 1088 NH2 ARG A 74 7.804 -10.212 -9.031 1.00 0.00 N ATOM 0 H ARG A 74 1.284 -6.476 -8.735 1.00 0.00 H new ATOM 0 HA ARG A 74 2.205 -9.097 -7.741 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.707 -6.395 -6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.082 -7.953 -5.725 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.254 -7.295 -8.413 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.926 -6.512 -6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.646 -8.537 -6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.496 -9.497 -6.952 1.00 0.00 H new ATOM 0 HE ARG A 74 6.380 -8.195 -8.727 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.981 -10.873 -6.461 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.219 -11.866 -7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.968 -9.476 -9.718 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.341 -11.078 -9.073 1.00 0.00 H new ATOM 1102 N ALA A 75 0.276 -9.216 -6.164 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.960 -9.357 -5.405 1.00 0.00 C ATOM 1104 C ALA A 75 -0.849 -8.679 -4.044 1.00 0.00 C ATOM 1105 O ALA A 75 0.111 -8.901 -3.307 1.00 0.00 O ATOM 1106 CB ALA A 75 -1.313 -10.827 -5.238 1.00 0.00 C ATOM 0 H ALA A 75 0.856 -10.055 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.757 -8.865 -5.962 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.238 -10.917 -4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.445 -11.283 -6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.509 -11.336 -4.706 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.837 -7.852 -3.717 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.850 -7.143 -2.444 1.00 0.00 C ATOM 1114 C ALA A 76 -1.678 -8.109 -1.276 1.00 0.00 C ATOM 1115 O ALA A 76 -0.977 -7.810 -0.309 1.00 0.00 O ATOM 1116 CB ALA A 76 -3.141 -6.354 -2.292 1.00 0.00 C ATOM 0 H ALA A 76 -2.639 -7.657 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.010 -6.449 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.137 -5.830 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.223 -5.630 -3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.991 -7.036 -2.328 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.322 -9.267 -1.372 1.00 0.00 N ATOM 1123 CA ASP A 77 -2.240 -10.277 -0.324 1.00 0.00 C ATOM 1124 C ASP A 77 -0.855 -10.916 -0.292 1.00 0.00 C ATOM 1125 O ASP A 77 -0.397 -11.376 0.754 1.00 0.00 O ATOM 1126 CB ASP A 77 -3.306 -11.352 -0.537 1.00 0.00 C ATOM 1127 CG ASP A 77 -2.856 -12.431 -1.503 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -3.037 -12.247 -2.725 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -2.321 -13.458 -1.036 1.00 0.00 O ATOM 0 H ASP A 77 -2.907 -9.529 -2.165 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.416 -9.786 0.633 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.555 -11.807 0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.216 -10.887 -0.915 1.00 0.00 H new ATOM 1134 N ALA A 78 -0.194 -10.941 -1.444 1.00 0.00 N ATOM 1135 CA ALA A 78 1.139 -11.522 -1.548 1.00 0.00 C ATOM 1136 C ALA A 78 2.197 -10.572 -0.998 1.00 0.00 C ATOM 1137 O ALA A 78 3.263 -11.003 -0.555 1.00 0.00 O ATOM 1138 CB ALA A 78 1.448 -11.879 -2.995 1.00 0.00 C ATOM 0 H ALA A 78 -0.560 -10.566 -2.319 1.00 0.00 H new ATOM 0 HA ALA A 78 1.159 -12.432 -0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.446 -12.312 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.716 -12.602 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.403 -10.980 -3.609 1.00 0.00 H new ATOM 1144 N LEU A 79 1.897 -9.279 -1.028 1.00 0.00 N ATOM 1145 CA LEU A 79 2.823 -8.266 -0.533 1.00 0.00 C ATOM 1146 C LEU A 79 2.643 -8.051 0.967 1.00 0.00 C ATOM 1147 O LEU A 79 1.554 -8.246 1.505 1.00 0.00 O ATOM 1148 CB LEU A 79 2.614 -6.947 -1.278 1.00 0.00 C ATOM 1149 CG LEU A 79 2.687 -7.018 -2.803 1.00 0.00 C ATOM 1150 CD1 LEU A 79 2.222 -5.709 -3.422 1.00 0.00 C ATOM 1151 CD2 LEU A 79 4.102 -7.350 -3.254 1.00 0.00 C ATOM 0 H LEU A 79 1.019 -8.906 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 79 3.839 -8.619 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.639 -6.546 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.363 -6.235 -0.931 1.00 0.00 H new ATOM 0 HG LEU A 79 2.022 -7.813 -3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.281 -5.779 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.191 -5.513 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.860 -4.896 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.135 -7.397 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.786 -6.578 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.399 -8.314 -2.840 1.00 0.00 H new ATOM 1163 N ASN A 80 3.719 -7.646 1.634 1.00 0.00 N ATOM 1164 CA ASN A 80 3.679 -7.403 3.072 1.00 0.00 C ATOM 1165 C ASN A 80 3.984 -5.941 3.384 1.00 0.00 C ATOM 1166 O ASN A 80 4.502 -5.210 2.540 1.00 0.00 O ATOM 1167 CB ASN A 80 4.679 -8.310 3.792 1.00 0.00 C ATOM 1168 CG ASN A 80 4.813 -9.666 3.126 1.00 0.00 C ATOM 1169 OD1 ASN A 80 4.343 -10.676 3.651 1.00 0.00 O ATOM 1170 ND2 ASN A 80 5.456 -9.694 1.965 1.00 0.00 N ATOM 0 H ASN A 80 4.628 -7.479 1.203 1.00 0.00 H new ATOM 0 HA ASN A 80 2.674 -7.630 3.426 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.654 -7.823 3.818 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.363 -8.446 4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.577 -10.578 1.470 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.829 -8.832 1.568 1.00 0.00 H new ATOM 1177 N SER A 81 3.660 -5.522 4.604 1.00 0.00 N ATOM 1178 CA SER A 81 3.896 -4.147 5.027 1.00 0.00 C ATOM 1179 C SER A 81 5.276 -3.671 4.583 1.00 0.00 C ATOM 1180 O SER A 81 5.440 -2.533 4.145 1.00 0.00 O ATOM 1181 CB SER A 81 3.769 -4.031 6.547 1.00 0.00 C ATOM 1182 OG SER A 81 4.601 -4.972 7.203 1.00 0.00 O ATOM 0 H SER A 81 3.234 -6.115 5.316 1.00 0.00 H new ATOM 0 HA SER A 81 3.144 -3.514 4.557 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.038 -3.022 6.861 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.732 -4.191 6.841 1.00 0.00 H new ATOM 0 HG SER A 81 4.502 -4.876 8.173 1.00 0.00 H new ATOM 1188 N SER A 82 6.264 -4.552 4.699 1.00 0.00 N ATOM 1189 CA SER A 82 7.631 -4.222 4.314 1.00 0.00 C ATOM 1190 C SER A 82 7.700 -3.828 2.841 1.00 0.00 C ATOM 1191 O SER A 82 8.400 -2.885 2.472 1.00 0.00 O ATOM 1192 CB SER A 82 8.559 -5.409 4.580 1.00 0.00 C ATOM 1193 OG SER A 82 9.907 -5.076 4.294 1.00 0.00 O ATOM 0 H SER A 82 6.144 -5.500 5.056 1.00 0.00 H new ATOM 0 HA SER A 82 7.957 -3.373 4.915 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.470 -5.718 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.253 -6.258 3.969 1.00 0.00 H new ATOM 0 HG SER A 82 10.480 -5.850 4.473 1.00 0.00 H new ATOM 1199 N MET A 83 6.969 -4.557 2.005 1.00 0.00 N ATOM 1200 CA MET A 83 6.946 -4.284 0.573 1.00 0.00 C ATOM 1201 C MET A 83 6.327 -2.919 0.290 1.00 0.00 C ATOM 1202 O MET A 83 6.919 -2.088 -0.400 1.00 0.00 O ATOM 1203 CB MET A 83 6.165 -5.374 -0.163 1.00 0.00 C ATOM 1204 CG MET A 83 6.550 -6.784 0.253 1.00 0.00 C ATOM 1205 SD MET A 83 8.291 -7.146 -0.046 1.00 0.00 S ATOM 1206 CE MET A 83 8.331 -8.907 0.275 1.00 0.00 C ATOM 0 H MET A 83 6.385 -5.341 2.294 1.00 0.00 H new ATOM 0 HA MET A 83 7.975 -4.278 0.213 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.100 -5.230 0.016 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.326 -5.264 -1.235 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.332 -6.918 1.312 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.935 -7.500 -0.292 1.00 0.00 H new ATOM 0 HE1 MET A 83 9.341 -9.283 0.114 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.034 -9.096 1.307 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.643 -9.416 -0.400 1.00 0.00 H new ATOM 1216 N LEU A 84 5.133 -2.693 0.827 1.00 0.00 N ATOM 1217 CA LEU A 84 4.433 -1.429 0.632 1.00 0.00 C ATOM 1218 C LEU A 84 5.384 -0.248 0.800 1.00 0.00 C ATOM 1219 O LEU A 84 5.417 0.660 -0.031 1.00 0.00 O ATOM 1220 CB LEU A 84 3.272 -1.308 1.620 1.00 0.00 C ATOM 1221 CG LEU A 84 2.036 -2.154 1.311 1.00 0.00 C ATOM 1222 CD1 LEU A 84 1.252 -2.438 2.583 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.156 -1.456 0.284 1.00 0.00 C ATOM 0 H LEU A 84 4.630 -3.369 1.401 1.00 0.00 H new ATOM 0 HA LEU A 84 4.040 -1.413 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.635 -1.580 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.969 -0.262 1.667 1.00 0.00 H new ATOM 0 HG LEU A 84 2.365 -3.105 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.376 -3.041 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.884 -2.980 3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.933 -1.497 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.281 -2.072 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.835 -0.491 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.720 -1.305 -0.636 1.00 0.00 H new ATOM 1235 N LYS A 85 6.158 -0.268 1.880 1.00 0.00 N ATOM 1236 CA LYS A 85 7.114 0.798 2.157 1.00 0.00 C ATOM 1237 C LYS A 85 8.023 1.039 0.956 1.00 0.00 C ATOM 1238 O LYS A 85 8.213 2.178 0.529 1.00 0.00 O ATOM 1239 CB LYS A 85 7.956 0.449 3.386 1.00 0.00 C ATOM 1240 CG LYS A 85 9.104 1.413 3.630 1.00 0.00 C ATOM 1241 CD LYS A 85 9.603 1.335 5.063 1.00 0.00 C ATOM 1242 CE LYS A 85 8.526 1.757 6.052 1.00 0.00 C ATOM 1243 NZ LYS A 85 9.093 2.055 7.396 1.00 0.00 N ATOM 0 H LYS A 85 6.142 -1.011 2.578 1.00 0.00 H new ATOM 0 HA LYS A 85 6.554 1.712 2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.312 0.434 4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.357 -0.558 3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.922 1.186 2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.779 2.430 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.922 0.316 5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.477 1.975 5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.010 2.639 5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.782 0.965 6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.328 2.339 8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.564 1.207 7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.784 2.828 7.318 1.00 0.00 H new ATOM 1257 N ASP A 86 8.581 -0.039 0.416 1.00 0.00 N ATOM 1258 CA ASP A 86 9.468 0.056 -0.737 1.00 0.00 C ATOM 1259 C ASP A 86 8.726 0.612 -1.949 1.00 0.00 C ATOM 1260 O ASP A 86 9.240 1.472 -2.664 1.00 0.00 O ATOM 1261 CB ASP A 86 10.056 -1.316 -1.069 1.00 0.00 C ATOM 1262 CG ASP A 86 11.145 -1.240 -2.121 1.00 0.00 C ATOM 1263 OD1 ASP A 86 10.869 -0.723 -3.224 1.00 0.00 O ATOM 1264 OD2 ASP A 86 12.273 -1.699 -1.843 1.00 0.00 O ATOM 0 H ASP A 86 8.435 -0.989 0.758 1.00 0.00 H new ATOM 0 HA ASP A 86 10.279 0.739 -0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.462 -1.763 -0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.261 -1.974 -1.420 1.00 0.00 H new ATOM 1269 N PHE A 87 7.516 0.113 -2.175 1.00 0.00 N ATOM 1270 CA PHE A 87 6.704 0.557 -3.302 1.00 0.00 C ATOM 1271 C PHE A 87 6.509 2.070 -3.269 1.00 0.00 C ATOM 1272 O PHE A 87 6.701 2.755 -4.274 1.00 0.00 O ATOM 1273 CB PHE A 87 5.343 -0.143 -3.286 1.00 0.00 C ATOM 1274 CG PHE A 87 5.347 -1.475 -3.981 1.00 0.00 C ATOM 1275 CD1 PHE A 87 5.279 -1.551 -5.363 1.00 0.00 C ATOM 1276 CD2 PHE A 87 5.418 -2.651 -3.252 1.00 0.00 C ATOM 1277 CE1 PHE A 87 5.283 -2.775 -6.005 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.422 -3.878 -3.889 1.00 0.00 C ATOM 1279 CZ PHE A 87 5.353 -3.940 -5.267 1.00 0.00 C ATOM 0 H PHE A 87 7.076 -0.599 -1.593 1.00 0.00 H new ATOM 0 HA PHE A 87 7.229 0.295 -4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.027 -0.282 -2.252 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.605 0.504 -3.761 1.00 0.00 H new ATOM 0 HD1 PHE A 87 5.222 -0.643 -5.945 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.471 -2.609 -2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 87 5.231 -2.820 -7.083 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.479 -4.788 -3.309 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.354 -4.898 -5.766 1.00 0.00 H new ATOM 1289 N LEU A 88 6.126 2.586 -2.106 1.00 0.00 N ATOM 1290 CA LEU A 88 5.905 4.018 -1.940 1.00 0.00 C ATOM 1291 C LEU A 88 7.222 4.784 -2.006 1.00 0.00 C ATOM 1292 O LEU A 88 7.249 5.962 -2.362 1.00 0.00 O ATOM 1293 CB LEU A 88 5.207 4.295 -0.607 1.00 0.00 C ATOM 1294 CG LEU A 88 3.809 3.698 -0.444 1.00 0.00 C ATOM 1295 CD1 LEU A 88 3.343 3.815 0.999 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.825 4.382 -1.381 1.00 0.00 C ATOM 0 H LEU A 88 5.962 2.034 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 88 5.267 4.359 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.838 3.915 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.137 5.375 -0.474 1.00 0.00 H new ATOM 0 HG LEU A 88 3.854 2.641 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.346 3.385 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.034 3.279 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.314 4.866 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.835 3.944 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.784 5.447 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.150 4.246 -2.412 1.00 0.00 H new ATOM 1308 N SER A 89 8.313 4.107 -1.663 1.00 0.00 N ATOM 1309 CA SER A 89 9.634 4.724 -1.682 1.00 0.00 C ATOM 1310 C SER A 89 10.078 5.012 -3.113 1.00 0.00 C ATOM 1311 O SER A 89 11.011 5.782 -3.341 1.00 0.00 O ATOM 1312 CB SER A 89 10.654 3.817 -0.992 1.00 0.00 C ATOM 1313 OG SER A 89 10.477 3.827 0.414 1.00 0.00 O ATOM 0 H SER A 89 8.308 3.130 -1.368 1.00 0.00 H new ATOM 0 HA SER A 89 9.575 5.669 -1.141 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.552 2.799 -1.367 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.663 4.147 -1.237 1.00 0.00 H new ATOM 0 HG SER A 89 9.698 3.281 0.650 1.00 0.00 H new ATOM 1319 N GLN A 90 9.403 4.387 -4.072 1.00 0.00 N ATOM 1320 CA GLN A 90 9.728 4.576 -5.481 1.00 0.00 C ATOM 1321 C GLN A 90 8.890 5.696 -6.089 1.00 0.00 C ATOM 1322 O GLN A 90 7.725 5.890 -5.742 1.00 0.00 O ATOM 1323 CB GLN A 90 9.503 3.276 -6.256 1.00 0.00 C ATOM 1324 CG GLN A 90 10.152 2.063 -5.611 1.00 0.00 C ATOM 1325 CD GLN A 90 11.587 1.862 -6.056 1.00 0.00 C ATOM 1326 OE1 GLN A 90 12.155 2.701 -6.756 1.00 0.00 O ATOM 1327 NE2 GLN A 90 12.183 0.747 -5.651 1.00 0.00 N ATOM 0 H GLN A 90 8.629 3.746 -3.900 1.00 0.00 H new ATOM 0 HA GLN A 90 10.779 4.856 -5.551 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.431 3.098 -6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.895 3.393 -7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.124 2.174 -4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.572 1.173 -5.855 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.675 0.079 -5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.149 0.559 -5.919 1.00 0.00 H new ATOM 1336 N PRO A 91 9.495 6.452 -7.017 1.00 0.00 N ATOM 1337 CA PRO A 91 8.822 7.565 -7.692 1.00 0.00 C ATOM 1338 C PRO A 91 7.733 7.091 -8.648 1.00 0.00 C ATOM 1339 O PRO A 91 6.765 7.807 -8.906 1.00 0.00 O ATOM 1340 CB PRO A 91 9.953 8.246 -8.467 1.00 0.00 C ATOM 1341 CG PRO A 91 10.963 7.172 -8.685 1.00 0.00 C ATOM 1342 CD PRO A 91 10.882 6.277 -7.479 1.00 0.00 C ATOM 0 HA PRO A 91 8.314 8.222 -6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.596 8.652 -9.414 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.375 9.078 -7.903 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.751 6.616 -9.598 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.963 7.592 -8.793 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.092 5.238 -7.734 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.601 6.569 -6.713 1.00 0.00 H new ATOM 1350 N SER A 92 7.896 5.879 -9.169 1.00 0.00 N ATOM 1351 CA SER A 92 6.927 5.310 -10.099 1.00 0.00 C ATOM 1352 C SER A 92 6.233 4.097 -9.486 1.00 0.00 C ATOM 1353 O SER A 92 6.884 3.127 -9.096 1.00 0.00 O ATOM 1354 CB SER A 92 7.616 4.912 -11.406 1.00 0.00 C ATOM 1355 OG SER A 92 8.551 3.869 -11.192 1.00 0.00 O ATOM 0 H SER A 92 8.690 5.272 -8.963 1.00 0.00 H new ATOM 0 HA SER A 92 6.174 6.069 -10.310 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.869 4.592 -12.132 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.123 5.778 -11.832 1.00 0.00 H new ATOM 0 HG SER A 92 8.345 3.413 -10.350 1.00 0.00 H new ATOM 1361 N LEU A 93 4.909 4.160 -9.406 1.00 0.00 N ATOM 1362 CA LEU A 93 4.124 3.067 -8.841 1.00 0.00 C ATOM 1363 C LEU A 93 2.977 2.684 -9.769 1.00 0.00 C ATOM 1364 O LEU A 93 2.368 3.542 -10.408 1.00 0.00 O ATOM 1365 CB LEU A 93 3.575 3.464 -7.469 1.00 0.00 C ATOM 1366 CG LEU A 93 4.479 3.167 -6.272 1.00 0.00 C ATOM 1367 CD1 LEU A 93 3.979 3.890 -5.032 1.00 0.00 C ATOM 1368 CD2 LEU A 93 4.558 1.668 -6.022 1.00 0.00 C ATOM 0 H LEU A 93 4.356 4.956 -9.725 1.00 0.00 H new ATOM 0 HA LEU A 93 4.779 2.203 -8.728 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.361 4.533 -7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.625 2.951 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 93 5.481 3.531 -6.500 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.635 3.666 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.976 4.965 -5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.967 3.558 -4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.206 1.475 -5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.560 1.280 -5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.965 1.173 -6.904 1.00 0.00 H new ATOM 1380 N GLY A 94 2.685 1.388 -9.838 1.00 0.00 N ATOM 1381 CA GLY A 94 1.609 0.914 -10.689 1.00 0.00 C ATOM 1382 C GLY A 94 0.547 0.160 -9.915 1.00 0.00 C ATOM 1383 O GLY A 94 0.803 -0.925 -9.390 1.00 0.00 O ATOM 0 H GLY A 94 3.174 0.658 -9.320 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.150 1.763 -11.196 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.020 0.265 -11.462 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.649 0.734 -9.841 1.00 0.00 N ATOM 1388 CA LEU A 95 -1.755 0.110 -9.123 1.00 0.00 C ATOM 1389 C LEU A 95 -2.824 -0.383 -10.093 1.00 0.00 C ATOM 1390 O LEU A 95 -2.816 -0.032 -11.273 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.367 1.098 -8.129 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.377 1.891 -7.275 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -2.018 3.173 -6.766 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -0.878 1.045 -6.113 1.00 0.00 C ATOM 0 H LEU A 95 -0.878 1.631 -10.270 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.363 -0.748 -8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.985 1.804 -8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.031 0.548 -7.463 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.523 2.158 -7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.298 3.724 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.325 3.787 -7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.890 2.928 -6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.174 1.625 -5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.722 0.747 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.379 0.156 -6.498 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.746 -1.194 -9.586 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.825 -1.733 -10.407 1.00 0.00 C ATOM 1408 C LEU A 96 -6.142 -1.744 -9.637 1.00 0.00 C ATOM 1409 O LEU A 96 -6.331 -2.544 -8.720 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.481 -3.150 -10.870 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.475 -3.802 -11.832 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.631 -2.960 -13.089 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.028 -5.213 -12.186 1.00 0.00 C ATOM 0 H LEU A 96 -3.768 -1.493 -8.611 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.940 -1.090 -11.279 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.503 -3.126 -11.351 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.388 -3.786 -9.990 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.444 -3.863 -11.337 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.342 -3.439 -13.762 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.997 -1.969 -12.820 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -4.666 -2.867 -13.587 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.747 -5.661 -12.871 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.048 -5.176 -12.662 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.968 -5.814 -11.279 1.00 0.00 H new ATOM 1425 N VAL A 97 -7.050 -0.851 -10.017 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.351 -0.760 -9.364 1.00 0.00 C ATOM 1427 C VAL A 97 -9.481 -1.043 -10.348 1.00 0.00 C ATOM 1428 O VAL A 97 -9.287 -0.990 -11.563 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.568 0.630 -8.737 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.685 0.807 -7.511 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.299 1.724 -9.760 1.00 0.00 C ATOM 0 H VAL A 97 -6.909 -0.181 -10.773 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.363 -1.512 -8.575 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.608 0.708 -8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.852 1.795 -7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.931 0.044 -6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.638 0.709 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.457 2.699 -9.300 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.269 1.650 -10.109 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.978 1.607 -10.605 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.661 -1.343 -9.816 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.822 -1.635 -10.647 1.00 0.00 C ATOM 1443 C ARG A 98 -12.644 -0.374 -10.896 1.00 0.00 C ATOM 1444 O ARG A 98 -12.729 0.504 -10.037 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.694 -2.703 -9.985 1.00 0.00 C ATOM 1446 CG ARG A 98 -13.473 -3.553 -10.975 1.00 0.00 C ATOM 1447 CD ARG A 98 -13.874 -4.889 -10.368 1.00 0.00 C ATOM 1448 NE ARG A 98 -13.987 -5.937 -11.379 1.00 0.00 N ATOM 1449 CZ ARG A 98 -12.943 -6.570 -11.903 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -11.714 -6.262 -11.513 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -13.128 -7.512 -12.818 1.00 0.00 N ATOM 0 H ARG A 98 -10.838 -1.390 -8.813 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.465 -2.010 -11.606 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.061 -3.353 -9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.395 -2.218 -9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.365 -3.015 -11.295 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.867 -3.724 -11.865 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.137 -5.184 -9.621 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.827 -4.781 -9.850 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.919 -6.197 -11.701 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.569 -5.538 -10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.914 -6.749 -11.916 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.072 -7.751 -13.120 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.326 -7.997 -13.220 1.00 0.00 H new ATOM 1465 N THR A 99 -13.247 -0.291 -12.078 1.00 0.00 N ATOM 1466 CA THR A 99 -14.061 0.863 -12.441 1.00 0.00 C ATOM 1467 C THR A 99 -15.327 0.434 -13.174 1.00 0.00 C ATOM 1468 O THR A 99 -15.429 -0.699 -13.645 1.00 0.00 O ATOM 1469 CB THR A 99 -13.276 1.847 -13.328 1.00 0.00 C ATOM 1470 OG1 THR A 99 -13.883 3.143 -13.278 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.229 1.359 -14.768 1.00 0.00 C ATOM 0 H THR A 99 -13.187 -1.009 -12.800 1.00 0.00 H new ATOM 0 HA THR A 99 -14.334 1.362 -11.511 1.00 0.00 H new ATOM 0 HB THR A 99 -12.256 1.909 -12.949 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.377 3.763 -13.843 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.669 2.070 -15.375 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.740 0.386 -14.807 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.244 1.271 -15.156 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.288 1.346 -13.268 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.549 1.061 -13.942 1.00 0.00 C ATOM 1481 C TYR A 100 -17.452 1.374 -15.433 1.00 0.00 C ATOM 1482 O TYR A 100 -16.916 2.404 -15.843 1.00 0.00 O ATOM 1483 CB TYR A 100 -18.683 1.871 -13.313 1.00 0.00 C ATOM 1484 CG TYR A 100 -18.584 1.983 -11.808 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -18.272 0.876 -11.029 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -18.804 3.195 -11.166 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -18.181 0.973 -9.654 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -18.714 3.302 -9.791 1.00 0.00 C ATOM 1489 CZ TYR A 100 -18.403 2.188 -9.040 1.00 0.00 C ATOM 1490 OH TYR A 100 -18.313 2.290 -7.670 1.00 0.00 O ATOM 0 H TYR A 100 -16.218 2.289 -12.886 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.762 -0.001 -13.824 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -18.686 2.872 -13.744 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -19.636 1.409 -13.573 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -18.098 -0.077 -11.507 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -19.050 4.069 -11.751 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.937 0.102 -9.063 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -18.886 4.252 -9.308 1.00 0.00 H new ATOM 0 HH TYR A 100 -18.497 3.213 -7.398 1.00 0.00 H new