USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 605 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 Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= 0.98 (180deg=0.844) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.349 K(o=0.35,f=-3.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.559 K(o=-0.56,f=-4.1!) USER MOD Single : A 28 HIS : no HD1:sc= 0.826 K(o=0.83,f=-3.3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -110:sc= -0.781! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -141:sc= -4.49! (180deg=-6.46!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 77:sc= 1.22 USER MOD Single : A 44 TYR OH : rot 180:sc= 0.121 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc=-0.000781 K(o=-0.00078,f=-1.1) USER MOD Single : A 54 SER OG : rot -21:sc= -0.863! USER MOD Single : A 65 ASN : amide:sc= 0.117 K(o=0.12,f=-4.2!) USER MOD Single : A 69 THR OG1 : rot -137:sc= -2.28! USER MOD Single : A 71 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0111) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 151:sc= -0.936 (180deg=-2.18!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -0.014 X(o=-0.014,f=0.091) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 0.245 4.006 1.578 1.00 0.00 N ATOM 158 CA TYR A 14 -0.575 3.187 2.435 1.00 0.00 C ATOM 159 C TYR A 14 -0.662 1.785 1.902 1.00 0.00 C ATOM 160 O TYR A 14 -0.510 1.550 0.705 1.00 0.00 O ATOM 161 CB TYR A 14 -1.963 3.775 2.608 1.00 0.00 C ATOM 162 CG TYR A 14 -2.002 5.043 3.428 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.721 6.277 2.860 1.00 0.00 C ATOM 164 CD2 TYR A 14 -2.340 5.004 4.773 1.00 0.00 C ATOM 165 CE1 TYR A 14 -1.776 7.437 3.615 1.00 0.00 C ATOM 166 CE2 TYR A 14 -2.395 6.154 5.532 1.00 0.00 C ATOM 167 CZ TYR A 14 -2.114 7.366 4.949 1.00 0.00 C ATOM 168 OH TYR A 14 -2.171 8.513 5.705 1.00 0.00 O ATOM 0 HA TYR A 14 -0.101 3.160 3.416 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.384 3.980 1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.604 3.031 3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.456 6.334 1.815 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.565 4.054 5.235 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.555 8.392 3.161 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.657 6.102 6.578 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.425 8.287 6.624 1.00 0.00 H new ATOM 178 N ILE A 15 -0.923 0.865 2.783 1.00 0.00 N ATOM 179 CA ILE A 15 -0.953 -0.529 2.443 1.00 0.00 C ATOM 180 C ILE A 15 -2.365 -1.046 2.600 1.00 0.00 C ATOM 181 O ILE A 15 -3.198 -0.434 3.267 1.00 0.00 O ATOM 182 CB ILE A 15 -0.033 -1.340 3.371 1.00 0.00 C ATOM 183 CG1 ILE A 15 -0.682 -1.497 4.738 1.00 0.00 C ATOM 184 CG2 ILE A 15 1.311 -0.655 3.494 1.00 0.00 C ATOM 185 CD1 ILE A 15 0.136 -2.291 5.720 1.00 0.00 C ATOM 0 H ILE A 15 -1.122 1.061 3.764 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.610 -0.640 1.414 1.00 0.00 H new ATOM 0 HB ILE A 15 0.122 -2.331 2.945 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.870 -0.507 5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.651 -1.980 4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.956 -1.236 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.772 -0.579 2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.174 0.344 3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.397 -2.356 6.669 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.302 -3.294 5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.096 -1.799 5.876 1.00 0.00 H new ATOM 197 N LYS A 16 -2.638 -2.139 1.987 1.00 0.00 N ATOM 198 CA LYS A 16 -3.944 -2.715 2.047 1.00 0.00 C ATOM 199 C LYS A 16 -3.979 -3.858 3.046 1.00 0.00 C ATOM 200 O LYS A 16 -3.000 -4.563 3.223 1.00 0.00 O ATOM 201 CB LYS A 16 -4.314 -3.237 0.693 1.00 0.00 C ATOM 202 CG LYS A 16 -5.800 -3.320 0.451 1.00 0.00 C ATOM 203 CD LYS A 16 -6.133 -4.318 -0.643 1.00 0.00 C ATOM 204 CE LYS A 16 -5.464 -3.976 -1.964 1.00 0.00 C ATOM 205 NZ LYS A 16 -5.767 -4.995 -2.999 1.00 0.00 N ATOM 0 H LYS A 16 -1.967 -2.665 1.427 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.651 -1.948 2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.868 -2.595 -0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.880 -4.229 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.304 -3.609 1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.180 -2.336 0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.822 -5.314 -0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.213 -4.351 -0.784 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.803 -2.997 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.385 -3.908 -1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.110 -4.884 -3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.660 -5.946 -2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.744 -4.870 -3.334 1.00 0.00 H new ATOM 219 N ILE A 17 -5.079 -4.007 3.706 1.00 0.00 N ATOM 220 CA ILE A 17 -5.290 -5.112 4.612 1.00 0.00 C ATOM 221 C ILE A 17 -6.558 -5.843 4.260 1.00 0.00 C ATOM 222 O ILE A 17 -7.623 -5.225 4.123 1.00 0.00 O ATOM 223 CB ILE A 17 -5.357 -4.651 6.083 1.00 0.00 C ATOM 224 CG1 ILE A 17 -4.017 -4.068 6.533 1.00 0.00 C ATOM 225 CG2 ILE A 17 -5.800 -5.784 6.993 1.00 0.00 C ATOM 226 CD1 ILE A 17 -2.862 -5.054 6.489 1.00 0.00 C ATOM 0 H ILE A 17 -5.870 -3.366 3.639 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.435 -5.780 4.505 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.105 -3.861 6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.775 -3.214 5.901 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.121 -3.692 7.551 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.838 -5.430 8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.789 -6.128 6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.091 -6.609 6.919 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.949 -4.561 6.823 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.079 -5.898 7.144 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.728 -5.412 5.468 1.00 0.00 H new ATOM 238 N LYS A 18 -6.464 -7.147 4.093 1.00 0.00 N ATOM 239 CA LYS A 18 -7.645 -7.914 3.833 1.00 0.00 C ATOM 240 C LYS A 18 -8.126 -8.489 5.141 1.00 0.00 C ATOM 241 O LYS A 18 -7.525 -9.423 5.677 1.00 0.00 O ATOM 242 CB LYS A 18 -7.396 -9.065 2.853 1.00 0.00 C ATOM 243 CG LYS A 18 -6.290 -8.837 1.816 1.00 0.00 C ATOM 244 CD LYS A 18 -6.302 -9.946 0.777 1.00 0.00 C ATOM 245 CE LYS A 18 -6.044 -11.306 1.408 1.00 0.00 C ATOM 246 NZ LYS A 18 -6.071 -12.405 0.407 1.00 0.00 N ATOM 0 H LYS A 18 -5.596 -7.681 4.133 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.384 -7.253 3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.150 -9.958 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.326 -9.273 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.432 -7.872 1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.319 -8.804 2.311 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.265 -9.957 0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.543 -9.745 0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.075 -11.295 1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.795 -11.497 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.890 -13.312 0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.004 -12.434 -0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.337 -12.239 -0.311 1.00 0.00 H new ATOM 260 N VAL A 19 -9.172 -7.921 5.663 1.00 0.00 N ATOM 261 CA VAL A 19 -9.756 -8.387 6.879 1.00 0.00 C ATOM 262 C VAL A 19 -10.653 -9.566 6.567 1.00 0.00 C ATOM 263 O VAL A 19 -11.694 -9.404 5.950 1.00 0.00 O ATOM 264 CB VAL A 19 -10.593 -7.265 7.540 1.00 0.00 C ATOM 265 CG1 VAL A 19 -11.313 -7.777 8.755 1.00 0.00 C ATOM 266 CG2 VAL A 19 -9.716 -6.073 7.904 1.00 0.00 C ATOM 0 H VAL A 19 -9.645 -7.116 5.252 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.966 -8.685 7.568 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.337 -6.934 6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.894 -6.970 9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.981 -8.588 8.467 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.587 -8.145 9.480 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.328 -5.299 8.367 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.943 -6.390 8.603 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.249 -5.676 7.003 1.00 0.00 H new ATOM 276 N VAL A 20 -10.233 -10.746 6.974 1.00 0.00 N ATOM 277 CA VAL A 20 -10.988 -11.950 6.710 1.00 0.00 C ATOM 278 C VAL A 20 -11.531 -12.506 8.009 1.00 0.00 C ATOM 279 O VAL A 20 -10.772 -12.870 8.908 1.00 0.00 O ATOM 280 CB VAL A 20 -10.111 -13.033 6.033 1.00 0.00 C ATOM 281 CG1 VAL A 20 -10.929 -14.283 5.733 1.00 0.00 C ATOM 282 CG2 VAL A 20 -9.459 -12.495 4.768 1.00 0.00 C ATOM 0 H VAL A 20 -9.367 -10.896 7.492 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.803 -11.689 6.035 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.318 -13.306 6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.292 -15.029 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.330 -14.687 6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.751 -14.028 5.064 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.849 -13.275 4.313 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.231 -12.182 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.829 -11.642 5.018 1.00 0.00 H new ATOM 292 N GLY A 21 -12.830 -12.574 8.107 1.00 0.00 N ATOM 293 CA GLY A 21 -13.437 -13.085 9.308 1.00 0.00 C ATOM 294 C GLY A 21 -13.788 -14.540 9.194 1.00 0.00 C ATOM 295 O GLY A 21 -13.891 -15.072 8.088 1.00 0.00 O ATOM 0 H GLY A 21 -13.484 -12.286 7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.755 -12.943 10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.338 -12.512 9.529 1.00 0.00 H new ATOM 299 N GLN A 22 -13.971 -15.197 10.337 1.00 0.00 N ATOM 300 CA GLN A 22 -14.374 -16.604 10.366 1.00 0.00 C ATOM 301 C GLN A 22 -15.759 -16.742 9.821 1.00 0.00 C ATOM 302 O GLN A 22 -16.200 -17.810 9.407 1.00 0.00 O ATOM 303 CB GLN A 22 -14.317 -17.155 11.764 1.00 0.00 C ATOM 304 CG GLN A 22 -15.250 -16.477 12.740 1.00 0.00 C ATOM 305 CD GLN A 22 -15.327 -17.204 14.065 1.00 0.00 C ATOM 306 OE1 GLN A 22 -14.541 -16.951 14.979 1.00 0.00 O ATOM 307 NE2 GLN A 22 -16.278 -18.105 14.179 1.00 0.00 N ATOM 0 H GLN A 22 -13.847 -14.778 11.258 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.679 -17.173 9.748 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.554 -18.218 11.732 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.296 -17.067 12.135 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.914 -15.454 12.909 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.247 -16.417 12.303 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.908 -18.283 13.397 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -16.386 -18.625 15.050 1.00 0.00 H new ATOM 316 N ASP A 23 -16.426 -15.638 9.847 1.00 0.00 N ATOM 317 CA ASP A 23 -17.741 -15.461 9.254 1.00 0.00 C ATOM 318 C ASP A 23 -17.623 -15.510 7.709 1.00 0.00 C ATOM 319 O ASP A 23 -18.595 -15.292 6.982 1.00 0.00 O ATOM 320 CB ASP A 23 -18.300 -14.104 9.728 1.00 0.00 C ATOM 321 CG ASP A 23 -19.676 -13.772 9.198 1.00 0.00 C ATOM 322 OD1 ASP A 23 -20.634 -14.495 9.522 1.00 0.00 O ATOM 323 OD2 ASP A 23 -19.810 -12.751 8.492 1.00 0.00 O ATOM 0 H ASP A 23 -16.071 -14.793 10.295 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.419 -16.257 9.562 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -18.334 -14.100 10.817 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.609 -13.316 9.428 1.00 0.00 H new ATOM 328 N SER A 24 -16.395 -15.813 7.236 1.00 0.00 N ATOM 329 CA SER A 24 -16.068 -15.900 5.814 1.00 0.00 C ATOM 330 C SER A 24 -16.257 -14.552 5.152 1.00 0.00 C ATOM 331 O SER A 24 -16.569 -14.451 3.962 1.00 0.00 O ATOM 332 CB SER A 24 -16.920 -16.974 5.137 1.00 0.00 C ATOM 333 OG SER A 24 -16.716 -18.241 5.756 1.00 0.00 O ATOM 0 H SER A 24 -15.600 -16.005 7.846 1.00 0.00 H new ATOM 0 HA SER A 24 -15.022 -16.186 5.707 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.973 -16.700 5.195 1.00 0.00 H new ATOM 0 HB3 SER A 24 -16.665 -17.035 4.079 1.00 0.00 H new ATOM 0 HG SER A 24 -17.270 -18.916 5.311 1.00 0.00 H new ATOM 339 N ASN A 25 -16.021 -13.519 5.927 1.00 0.00 N ATOM 340 CA ASN A 25 -16.211 -12.160 5.466 1.00 0.00 C ATOM 341 C ASN A 25 -14.882 -11.448 5.308 1.00 0.00 C ATOM 342 O ASN A 25 -14.221 -11.129 6.290 1.00 0.00 O ATOM 343 CB ASN A 25 -17.112 -11.400 6.448 1.00 0.00 C ATOM 344 CG ASN A 25 -17.503 -9.999 5.981 1.00 0.00 C ATOM 345 OD1 ASN A 25 -16.770 -9.331 5.256 1.00 0.00 O ATOM 346 ND2 ASN A 25 -18.668 -9.552 6.399 1.00 0.00 N ATOM 0 H ASN A 25 -15.694 -13.594 6.890 1.00 0.00 H new ATOM 0 HA ASN A 25 -16.692 -12.190 4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -18.019 -11.981 6.617 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -16.601 -11.322 7.407 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -18.988 -8.624 6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -19.251 -10.134 7.000 1.00 0.00 H new ATOM 353 N GLU A 26 -14.491 -11.228 4.074 1.00 0.00 N ATOM 354 CA GLU A 26 -13.283 -10.480 3.776 1.00 0.00 C ATOM 355 C GLU A 26 -13.627 -9.077 3.312 1.00 0.00 C ATOM 356 O GLU A 26 -14.519 -8.882 2.477 1.00 0.00 O ATOM 357 CB GLU A 26 -12.418 -11.163 2.709 1.00 0.00 C ATOM 358 CG GLU A 26 -11.207 -10.318 2.302 1.00 0.00 C ATOM 359 CD GLU A 26 -10.408 -10.907 1.165 1.00 0.00 C ATOM 360 OE1 GLU A 26 -9.616 -11.818 1.402 1.00 0.00 O ATOM 361 OE2 GLU A 26 -10.559 -10.423 0.017 1.00 0.00 O ATOM 0 H GLU A 26 -14.995 -11.558 3.251 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.708 -10.438 4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -12.074 -12.126 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.027 -11.366 1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.549 -9.323 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.555 -10.195 3.167 1.00 0.00 H new ATOM 368 N VAL A 27 -12.931 -8.113 3.858 1.00 0.00 N ATOM 369 CA VAL A 27 -13.099 -6.731 3.487 1.00 0.00 C ATOM 370 C VAL A 27 -11.745 -6.060 3.410 1.00 0.00 C ATOM 371 O VAL A 27 -10.864 -6.317 4.228 1.00 0.00 O ATOM 372 CB VAL A 27 -14.039 -5.979 4.460 1.00 0.00 C ATOM 373 CG1 VAL A 27 -13.517 -6.051 5.878 1.00 0.00 C ATOM 374 CG2 VAL A 27 -14.220 -4.531 4.026 1.00 0.00 C ATOM 0 H VAL A 27 -12.226 -8.266 4.579 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.574 -6.696 2.506 1.00 0.00 H new ATOM 0 HB VAL A 27 -15.013 -6.467 4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.195 -5.515 6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.452 -7.094 6.189 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.528 -5.596 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.884 -4.022 4.724 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -13.252 -4.030 4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.654 -4.502 3.026 1.00 0.00 H new ATOM 384 N HIS A 28 -11.566 -5.228 2.416 1.00 0.00 N ATOM 385 CA HIS A 28 -10.293 -4.590 2.205 1.00 0.00 C ATOM 386 C HIS A 28 -10.273 -3.195 2.781 1.00 0.00 C ATOM 387 O HIS A 28 -11.042 -2.322 2.369 1.00 0.00 O ATOM 388 CB HIS A 28 -9.959 -4.535 0.715 1.00 0.00 C ATOM 389 CG HIS A 28 -9.763 -5.879 0.077 1.00 0.00 C ATOM 390 ND1 HIS A 28 -9.654 -6.054 -1.280 1.00 0.00 N ATOM 391 CD2 HIS A 28 -9.671 -7.115 0.618 1.00 0.00 C ATOM 392 CE1 HIS A 28 -9.509 -7.335 -1.549 1.00 0.00 C ATOM 393 NE2 HIS A 28 -9.516 -8.003 -0.414 1.00 0.00 N ATOM 0 H HIS A 28 -12.287 -4.977 1.740 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.540 -5.186 2.721 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.761 -4.012 0.194 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.052 -3.945 0.579 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.712 -7.357 1.670 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.402 -7.765 -2.534 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.422 -9.014 -0.319 1.00 0.00 H new ATOM 401 N PHE A 29 -9.414 -3.002 3.742 1.00 0.00 N ATOM 402 CA PHE A 29 -9.196 -1.701 4.329 1.00 0.00 C ATOM 403 C PHE A 29 -7.816 -1.204 3.998 1.00 0.00 C ATOM 404 O PHE A 29 -6.878 -1.988 3.869 1.00 0.00 O ATOM 405 CB PHE A 29 -9.394 -1.719 5.842 1.00 0.00 C ATOM 406 CG PHE A 29 -10.827 -1.790 6.276 1.00 0.00 C ATOM 407 CD1 PHE A 29 -11.395 -2.985 6.667 1.00 0.00 C ATOM 408 CD2 PHE A 29 -11.607 -0.643 6.296 1.00 0.00 C ATOM 409 CE1 PHE A 29 -12.715 -3.037 7.070 1.00 0.00 C ATOM 410 CE2 PHE A 29 -12.925 -0.691 6.696 1.00 0.00 C ATOM 411 CZ PHE A 29 -13.480 -1.890 7.085 1.00 0.00 C ATOM 0 H PHE A 29 -8.841 -3.743 4.145 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.937 -1.024 3.905 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.858 -2.573 6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.942 -0.823 6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.802 -3.888 6.658 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.176 0.300 5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.149 -3.978 7.374 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -13.521 0.209 6.704 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.512 -1.932 7.401 1.00 0.00 H new ATOM 421 N ARG A 30 -7.692 0.086 3.839 1.00 0.00 N ATOM 422 CA ARG A 30 -6.417 0.676 3.543 1.00 0.00 C ATOM 423 C ARG A 30 -5.862 1.326 4.803 1.00 0.00 C ATOM 424 O ARG A 30 -6.480 2.219 5.377 1.00 0.00 O ATOM 425 CB ARG A 30 -6.549 1.703 2.424 1.00 0.00 C ATOM 426 CG ARG A 30 -5.226 2.287 1.975 1.00 0.00 C ATOM 427 CD ARG A 30 -4.428 1.297 1.140 1.00 0.00 C ATOM 428 NE ARG A 30 -5.009 1.077 -0.188 1.00 0.00 N ATOM 429 CZ ARG A 30 -4.493 0.241 -1.096 1.00 0.00 C ATOM 430 NH1 ARG A 30 -3.364 -0.405 -0.834 1.00 0.00 N ATOM 431 NH2 ARG A 30 -5.095 0.073 -2.269 1.00 0.00 N ATOM 0 H ARG A 30 -8.463 0.750 3.910 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.730 -0.100 3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.038 1.235 1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.198 2.512 2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.406 3.191 1.394 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.643 2.580 2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.407 1.662 1.029 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.371 0.346 1.669 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.855 1.591 -0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.891 -0.264 0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.969 -1.043 -1.525 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.953 0.582 -2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.699 -0.565 -2.959 1.00 0.00 H new ATOM 445 N VAL A 31 -4.710 0.872 5.218 1.00 0.00 N ATOM 446 CA VAL A 31 -4.065 1.345 6.435 1.00 0.00 C ATOM 447 C VAL A 31 -2.609 1.664 6.138 1.00 0.00 C ATOM 448 O VAL A 31 -2.106 1.340 5.079 1.00 0.00 O ATOM 449 CB VAL A 31 -4.127 0.289 7.564 1.00 0.00 C ATOM 450 CG1 VAL A 31 -5.570 -0.077 7.893 1.00 0.00 C ATOM 451 CG2 VAL A 31 -3.324 -0.939 7.201 1.00 0.00 C ATOM 0 H VAL A 31 -4.179 0.156 4.723 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.596 2.236 6.772 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.683 0.727 8.458 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.584 -0.821 8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.106 0.814 8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.053 -0.486 7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.384 -1.666 8.011 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.725 -1.379 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.283 -0.659 7.041 1.00 0.00 H new ATOM 461 N LYS A 32 -1.955 2.320 7.039 1.00 0.00 N ATOM 462 CA LYS A 32 -0.557 2.651 6.862 1.00 0.00 C ATOM 463 C LYS A 32 0.272 1.525 7.463 1.00 0.00 C ATOM 464 O LYS A 32 -0.254 0.745 8.247 1.00 0.00 O ATOM 465 CB LYS A 32 -0.255 3.962 7.589 1.00 0.00 C ATOM 466 CG LYS A 32 0.926 4.747 7.034 1.00 0.00 C ATOM 467 CD LYS A 32 1.163 6.005 7.860 1.00 0.00 C ATOM 468 CE LYS A 32 2.133 6.976 7.187 1.00 0.00 C ATOM 469 NZ LYS A 32 3.494 6.417 7.044 1.00 0.00 N ATOM 0 H LYS A 32 -2.360 2.645 7.917 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.319 2.769 5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.142 4.594 7.551 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.065 3.742 8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.821 4.125 7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.736 5.017 5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.211 6.508 8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.555 5.725 8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.749 7.242 6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.182 7.896 7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.110 7.116 6.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.875 6.187 7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.456 5.554 6.465 1.00 0.00 H new ATOM 483 N TYR A 33 1.548 1.410 7.101 1.00 0.00 N ATOM 484 CA TYR A 33 2.403 0.445 7.805 1.00 0.00 C ATOM 485 C TYR A 33 2.405 0.819 9.268 1.00 0.00 C ATOM 486 O TYR A 33 2.353 -0.031 10.146 1.00 0.00 O ATOM 487 CB TYR A 33 3.860 0.489 7.344 1.00 0.00 C ATOM 488 CG TYR A 33 4.129 0.102 5.907 1.00 0.00 C ATOM 489 CD1 TYR A 33 4.306 1.066 4.924 1.00 0.00 C ATOM 490 CD2 TYR A 33 4.243 -1.233 5.544 1.00 0.00 C ATOM 491 CE1 TYR A 33 4.589 0.710 3.619 1.00 0.00 C ATOM 492 CE2 TYR A 33 4.519 -1.597 4.244 1.00 0.00 C ATOM 493 CZ TYR A 33 4.694 -0.625 3.286 1.00 0.00 C ATOM 494 OH TYR A 33 4.982 -0.990 1.992 1.00 0.00 O ATOM 0 H TYR A 33 2.001 1.944 6.360 1.00 0.00 H new ATOM 0 HA TYR A 33 2.006 -0.550 7.604 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.236 1.500 7.500 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.441 -0.170 7.989 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.221 2.111 5.183 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.113 -2.000 6.294 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.727 1.471 2.865 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.598 -2.641 3.978 1.00 0.00 H new ATOM 0 HH TYR A 33 5.021 -1.967 1.929 1.00 0.00 H new ATOM 504 N GLY A 34 2.419 2.131 9.506 1.00 0.00 N ATOM 505 CA GLY A 34 2.463 2.672 10.832 1.00 0.00 C ATOM 506 C GLY A 34 1.094 2.795 11.440 1.00 0.00 C ATOM 507 O GLY A 34 0.885 3.595 12.355 1.00 0.00 O ATOM 0 H GLY A 34 2.400 2.837 8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.083 2.034 11.462 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.937 3.653 10.807 1.00 0.00 H new ATOM 511 N THR A 35 0.158 2.024 10.921 1.00 0.00 N ATOM 512 CA THR A 35 -1.183 2.034 11.403 1.00 0.00 C ATOM 513 C THR A 35 -1.281 1.450 12.802 1.00 0.00 C ATOM 514 O THR A 35 -0.589 0.482 13.147 1.00 0.00 O ATOM 515 CB THR A 35 -2.137 1.298 10.428 1.00 0.00 C ATOM 516 OG1 THR A 35 -2.843 2.255 9.619 1.00 0.00 O ATOM 517 CG2 THR A 35 -3.125 0.376 11.149 1.00 0.00 C ATOM 0 H THR A 35 0.321 1.376 10.151 1.00 0.00 H new ATOM 0 HA THR A 35 -1.497 3.076 11.459 1.00 0.00 H new ATOM 0 HB THR A 35 -1.521 0.661 9.792 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.788 2.270 9.880 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.768 -0.113 10.417 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.575 -0.379 11.710 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.737 0.963 11.834 1.00 0.00 H new ATOM 525 N SER A 36 -2.114 2.057 13.606 1.00 0.00 N ATOM 526 CA SER A 36 -2.349 1.590 14.922 1.00 0.00 C ATOM 527 C SER A 36 -3.476 0.572 14.890 1.00 0.00 C ATOM 528 O SER A 36 -4.425 0.712 14.124 1.00 0.00 O ATOM 529 CB SER A 36 -2.705 2.759 15.834 1.00 0.00 C ATOM 530 OG SER A 36 -1.653 3.714 15.864 1.00 0.00 O ATOM 0 H SER A 36 -2.644 2.891 13.354 1.00 0.00 H new ATOM 0 HA SER A 36 -1.449 1.116 15.314 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.622 3.233 15.484 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.899 2.393 16.842 1.00 0.00 H new ATOM 0 HG SER A 36 -1.902 4.457 16.453 1.00 0.00 H new ATOM 536 N MET A 37 -3.358 -0.437 15.713 1.00 0.00 N ATOM 537 CA MET A 37 -4.345 -1.506 15.826 1.00 0.00 C ATOM 538 C MET A 37 -5.751 -0.949 16.035 1.00 0.00 C ATOM 539 O MET A 37 -6.725 -1.451 15.472 1.00 0.00 O ATOM 540 CB MET A 37 -3.981 -2.355 17.021 1.00 0.00 C ATOM 541 CG MET A 37 -3.717 -1.520 18.255 1.00 0.00 C ATOM 542 SD MET A 37 -2.109 -0.664 18.195 1.00 0.00 S ATOM 543 CE MET A 37 -2.536 0.943 18.864 1.00 0.00 C ATOM 0 H MET A 37 -2.562 -0.551 16.340 1.00 0.00 H new ATOM 0 HA MET A 37 -4.341 -2.087 14.903 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.789 -3.057 17.225 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.096 -2.947 16.788 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.512 -0.783 18.367 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.750 -2.161 19.136 1.00 0.00 H new ATOM 0 HE1 MET A 37 -2.001 1.719 18.317 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.609 1.105 18.766 1.00 0.00 H new ATOM 0 HE3 MET A 37 -2.258 0.984 19.917 1.00 0.00 H new ATOM 553 N ALA A 38 -5.843 0.088 16.844 1.00 0.00 N ATOM 554 CA ALA A 38 -7.101 0.716 17.143 1.00 0.00 C ATOM 555 C ALA A 38 -7.757 1.311 15.900 1.00 0.00 C ATOM 556 O ALA A 38 -8.973 1.395 15.834 1.00 0.00 O ATOM 557 CB ALA A 38 -6.918 1.760 18.216 1.00 0.00 C ATOM 0 H ALA A 38 -5.042 0.515 17.310 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.777 -0.054 17.514 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.877 2.229 18.434 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.530 1.289 19.119 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.214 2.517 17.871 1.00 0.00 H new ATOM 563 N LYS A 39 -6.950 1.688 14.897 1.00 0.00 N ATOM 564 CA LYS A 39 -7.492 2.291 13.673 1.00 0.00 C ATOM 565 C LYS A 39 -8.435 1.344 12.982 1.00 0.00 C ATOM 566 O LYS A 39 -9.476 1.746 12.514 1.00 0.00 O ATOM 567 CB LYS A 39 -6.379 2.679 12.678 1.00 0.00 C ATOM 568 CG LYS A 39 -5.483 3.807 13.146 1.00 0.00 C ATOM 569 CD LYS A 39 -6.254 5.113 13.240 1.00 0.00 C ATOM 570 CE LYS A 39 -5.349 6.265 13.628 1.00 0.00 C ATOM 571 NZ LYS A 39 -6.096 7.543 13.721 1.00 0.00 N ATOM 0 H LYS A 39 -5.935 1.588 14.909 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.022 3.192 13.982 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.764 1.801 12.480 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.839 2.966 11.732 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.060 3.560 14.120 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.648 3.923 12.455 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.727 5.327 12.282 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.053 5.013 13.975 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.876 6.049 14.586 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.550 6.363 12.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.444 8.308 13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.526 7.761 12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.842 7.457 14.440 1.00 0.00 H new ATOM 585 N LEU A 40 -8.082 0.084 12.955 1.00 0.00 N ATOM 586 CA LEU A 40 -8.886 -0.896 12.254 1.00 0.00 C ATOM 587 C LEU A 40 -10.010 -1.431 13.122 1.00 0.00 C ATOM 588 O LEU A 40 -11.113 -1.641 12.646 1.00 0.00 O ATOM 589 CB LEU A 40 -8.030 -2.045 11.677 1.00 0.00 C ATOM 590 CG LEU A 40 -6.955 -2.659 12.593 1.00 0.00 C ATOM 591 CD1 LEU A 40 -6.688 -4.097 12.183 1.00 0.00 C ATOM 592 CD2 LEU A 40 -5.661 -1.870 12.485 1.00 0.00 C ATOM 0 H LEU A 40 -7.248 -0.291 13.407 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.342 -0.377 11.411 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.704 -2.844 11.367 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.536 -1.678 10.778 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.317 -2.627 13.621 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.927 -4.526 12.835 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.607 -4.676 12.269 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.338 -4.122 11.151 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.909 -2.314 13.137 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.306 -1.892 11.455 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.838 -0.837 12.786 1.00 0.00 H new ATOM 604 N LYS A 41 -9.726 -1.643 14.388 1.00 0.00 N ATOM 605 CA LYS A 41 -10.718 -2.158 15.330 1.00 0.00 C ATOM 606 C LYS A 41 -11.824 -1.174 15.525 1.00 0.00 C ATOM 607 O LYS A 41 -12.992 -1.534 15.500 1.00 0.00 O ATOM 608 CB LYS A 41 -10.037 -2.439 16.642 1.00 0.00 C ATOM 609 CG LYS A 41 -9.022 -3.554 16.561 1.00 0.00 C ATOM 610 CD LYS A 41 -8.198 -3.627 17.816 1.00 0.00 C ATOM 611 CE LYS A 41 -9.051 -4.033 19.013 1.00 0.00 C ATOM 612 NZ LYS A 41 -8.266 -4.119 20.269 1.00 0.00 N ATOM 0 H LYS A 41 -8.810 -1.467 14.800 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.152 -3.075 14.932 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.543 -1.531 16.989 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.790 -2.696 17.387 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.532 -4.504 16.401 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.370 -3.395 15.702 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.389 -4.346 17.682 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.736 -2.659 18.007 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.857 -3.311 19.141 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.516 -4.998 18.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.892 -4.398 21.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.512 -4.827 20.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.843 -3.192 20.478 1.00 0.00 H new ATOM 626 N LYS A 42 -11.455 0.067 15.694 1.00 0.00 N ATOM 627 CA LYS A 42 -12.419 1.128 15.826 1.00 0.00 C ATOM 628 C LYS A 42 -13.223 1.231 14.544 1.00 0.00 C ATOM 629 O LYS A 42 -14.431 1.352 14.570 1.00 0.00 O ATOM 630 CB LYS A 42 -11.708 2.456 16.090 1.00 0.00 C ATOM 631 CG LYS A 42 -12.631 3.610 16.448 1.00 0.00 C ATOM 632 CD LYS A 42 -13.275 3.409 17.811 1.00 0.00 C ATOM 633 CE LYS A 42 -12.223 3.305 18.912 1.00 0.00 C ATOM 634 NZ LYS A 42 -12.825 3.236 20.268 1.00 0.00 N ATOM 0 H LYS A 42 -10.483 0.371 15.744 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.081 0.910 16.664 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.993 2.315 16.901 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.135 2.728 15.204 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.067 4.542 16.445 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.407 3.705 15.689 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.947 4.241 18.024 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.882 2.504 17.799 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.612 2.418 18.744 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.557 4.166 18.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.070 3.166 20.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.387 4.093 20.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.440 2.400 20.333 1.00 0.00 H new ATOM 648 N SER A 43 -12.519 1.143 13.423 1.00 0.00 N ATOM 649 CA SER A 43 -13.136 1.298 12.103 1.00 0.00 C ATOM 650 C SER A 43 -14.062 0.133 11.728 1.00 0.00 C ATOM 651 O SER A 43 -15.206 0.343 11.323 1.00 0.00 O ATOM 652 CB SER A 43 -12.052 1.485 11.037 1.00 0.00 C ATOM 653 OG SER A 43 -11.405 2.736 11.189 1.00 0.00 O ATOM 0 H SER A 43 -11.515 0.964 13.397 1.00 0.00 H new ATOM 0 HA SER A 43 -13.765 2.187 12.150 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.320 0.681 11.112 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.497 1.419 10.044 1.00 0.00 H new ATOM 0 HG SER A 43 -10.779 2.691 11.942 1.00 0.00 H new ATOM 659 N TYR A 44 -13.569 -1.087 11.865 1.00 0.00 N ATOM 660 CA TYR A 44 -14.346 -2.261 11.524 1.00 0.00 C ATOM 661 C TYR A 44 -15.539 -2.399 12.416 1.00 0.00 C ATOM 662 O TYR A 44 -16.651 -2.633 11.945 1.00 0.00 O ATOM 663 CB TYR A 44 -13.500 -3.507 11.599 1.00 0.00 C ATOM 664 CG TYR A 44 -14.221 -4.760 11.157 1.00 0.00 C ATOM 665 CD1 TYR A 44 -14.204 -5.160 9.831 1.00 0.00 C ATOM 666 CD2 TYR A 44 -14.921 -5.535 12.065 1.00 0.00 C ATOM 667 CE1 TYR A 44 -14.861 -6.301 9.423 1.00 0.00 C ATOM 668 CE2 TYR A 44 -15.583 -6.679 11.668 1.00 0.00 C ATOM 669 CZ TYR A 44 -15.550 -7.058 10.347 1.00 0.00 C ATOM 670 OH TYR A 44 -16.209 -8.194 9.942 1.00 0.00 O ATOM 0 H TYR A 44 -12.631 -1.287 12.211 1.00 0.00 H new ATOM 0 HA TYR A 44 -14.695 -2.135 10.499 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -12.614 -3.371 10.979 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -13.155 -3.640 12.624 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -13.667 -4.568 9.105 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -14.950 -5.239 13.103 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.836 -6.600 8.386 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -16.123 -7.273 12.390 1.00 0.00 H new ATOM 0 HH TYR A 44 -16.644 -8.613 10.714 1.00 0.00 H new ATOM 680 N ALA A 45 -15.314 -2.255 13.708 1.00 0.00 N ATOM 681 CA ALA A 45 -16.390 -2.359 14.664 1.00 0.00 C ATOM 682 C ALA A 45 -17.426 -1.302 14.372 1.00 0.00 C ATOM 683 O ALA A 45 -18.621 -1.528 14.504 1.00 0.00 O ATOM 684 CB ALA A 45 -15.881 -2.230 16.085 1.00 0.00 C ATOM 0 H ALA A 45 -14.398 -2.066 14.115 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.844 -3.345 14.570 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.717 -2.313 16.780 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -15.161 -3.023 16.287 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -15.398 -1.261 16.212 1.00 0.00 H new ATOM 690 N ASP A 46 -16.944 -0.155 13.957 1.00 0.00 N ATOM 691 CA ASP A 46 -17.798 0.986 13.631 1.00 0.00 C ATOM 692 C ASP A 46 -18.666 0.698 12.410 1.00 0.00 C ATOM 693 O ASP A 46 -19.873 0.965 12.410 1.00 0.00 O ATOM 694 CB ASP A 46 -16.944 2.221 13.377 1.00 0.00 C ATOM 695 CG ASP A 46 -17.753 3.447 13.040 1.00 0.00 C ATOM 696 OD1 ASP A 46 -18.413 4.005 13.944 1.00 0.00 O ATOM 697 OD2 ASP A 46 -17.711 3.879 11.873 1.00 0.00 O ATOM 0 H ASP A 46 -15.948 0.024 13.832 1.00 0.00 H new ATOM 0 HA ASP A 46 -18.456 1.167 14.481 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.340 2.425 14.261 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -16.253 2.014 12.560 1.00 0.00 H new ATOM 702 N ARG A 47 -18.047 0.137 11.373 1.00 0.00 N ATOM 703 CA ARG A 47 -18.748 -0.155 10.126 1.00 0.00 C ATOM 704 C ARG A 47 -19.796 -1.254 10.320 1.00 0.00 C ATOM 705 O ARG A 47 -20.763 -1.337 9.570 1.00 0.00 O ATOM 706 CB ARG A 47 -17.744 -0.527 8.998 1.00 0.00 C ATOM 707 CG ARG A 47 -17.164 -1.944 9.066 1.00 0.00 C ATOM 708 CD ARG A 47 -18.015 -2.920 8.265 1.00 0.00 C ATOM 709 NE ARG A 47 -17.602 -4.319 8.422 1.00 0.00 N ATOM 710 CZ ARG A 47 -18.406 -5.354 8.133 1.00 0.00 C ATOM 711 NH1 ARG A 47 -19.639 -5.128 7.710 1.00 0.00 N ATOM 712 NH2 ARG A 47 -17.976 -6.606 8.264 1.00 0.00 N ATOM 0 H ARG A 47 -17.061 -0.124 11.372 1.00 0.00 H new ATOM 0 HA ARG A 47 -19.275 0.749 9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -18.244 -0.404 8.037 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -16.919 0.185 9.022 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -16.145 -1.943 8.680 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.111 -2.270 10.105 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -19.056 -2.820 8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -17.967 -2.651 7.210 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.662 -4.514 8.766 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -19.975 -4.171 7.605 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -20.254 -5.911 7.489 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.026 -6.788 8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.597 -7.384 8.041 1.00 0.00 H new ATOM 726 N THR A 48 -19.592 -2.097 11.321 1.00 0.00 N ATOM 727 CA THR A 48 -20.521 -3.183 11.590 1.00 0.00 C ATOM 728 C THR A 48 -21.494 -2.828 12.731 1.00 0.00 C ATOM 729 O THR A 48 -22.553 -3.440 12.870 1.00 0.00 O ATOM 730 CB THR A 48 -19.779 -4.517 11.893 1.00 0.00 C ATOM 731 OG1 THR A 48 -20.715 -5.570 12.118 1.00 0.00 O ATOM 732 CG2 THR A 48 -18.871 -4.381 13.097 1.00 0.00 C ATOM 0 H THR A 48 -18.796 -2.050 11.957 1.00 0.00 H new ATOM 0 HA THR A 48 -21.107 -3.328 10.682 1.00 0.00 H new ATOM 0 HB THR A 48 -19.167 -4.757 11.023 1.00 0.00 H new ATOM 0 HG1 THR A 48 -20.232 -6.402 12.306 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.368 -5.330 13.282 1.00 0.00 H new ATOM 0 HG22 THR A 48 -18.128 -3.607 12.907 1.00 0.00 H new ATOM 0 HG23 THR A 48 -19.463 -4.108 13.970 1.00 0.00 H new ATOM 740 N GLY A 49 -21.142 -1.817 13.521 1.00 0.00 N ATOM 741 CA GLY A 49 -21.997 -1.411 14.623 1.00 0.00 C ATOM 742 C GLY A 49 -21.848 -2.295 15.846 1.00 0.00 C ATOM 743 O GLY A 49 -22.805 -2.512 16.583 1.00 0.00 O ATOM 0 H GLY A 49 -20.285 -1.274 13.419 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.765 -0.381 14.895 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -23.036 -1.427 14.294 1.00 0.00 H new ATOM 747 N VAL A 50 -20.654 -2.809 16.064 1.00 0.00 N ATOM 748 CA VAL A 50 -20.406 -3.676 17.198 1.00 0.00 C ATOM 749 C VAL A 50 -19.423 -3.019 18.161 1.00 0.00 C ATOM 750 O VAL A 50 -18.719 -2.078 17.789 1.00 0.00 O ATOM 751 CB VAL A 50 -19.859 -5.059 16.754 1.00 0.00 C ATOM 752 CG1 VAL A 50 -18.381 -4.995 16.390 1.00 0.00 C ATOM 753 CG2 VAL A 50 -20.115 -6.102 17.819 1.00 0.00 C ATOM 0 H VAL A 50 -19.841 -2.641 15.471 1.00 0.00 H new ATOM 0 HA VAL A 50 -21.359 -3.835 17.703 1.00 0.00 H new ATOM 0 HB VAL A 50 -20.397 -5.351 15.852 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -18.038 -5.984 16.085 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -18.239 -4.292 15.569 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -17.807 -4.663 17.255 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.724 -7.064 17.488 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -19.619 -5.807 18.744 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -21.187 -6.187 17.994 1.00 0.00 H new ATOM 763 N ALA A 51 -19.402 -3.499 19.402 1.00 0.00 N ATOM 764 CA ALA A 51 -18.485 -2.990 20.406 1.00 0.00 C ATOM 765 C ALA A 51 -17.049 -3.145 19.923 1.00 0.00 C ATOM 766 O ALA A 51 -16.639 -4.234 19.509 1.00 0.00 O ATOM 767 CB ALA A 51 -18.684 -3.742 21.719 1.00 0.00 C ATOM 0 H ALA A 51 -20.015 -4.244 19.733 1.00 0.00 H new ATOM 0 HA ALA A 51 -18.688 -1.932 20.572 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -17.993 -3.355 22.468 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -19.708 -3.605 22.065 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.493 -4.804 21.563 1.00 0.00 H new ATOM 773 N VAL A 52 -16.293 -2.062 19.993 1.00 0.00 N ATOM 774 CA VAL A 52 -14.910 -2.048 19.533 1.00 0.00 C ATOM 775 C VAL A 52 -14.072 -3.035 20.326 1.00 0.00 C ATOM 776 O VAL A 52 -13.273 -3.778 19.766 1.00 0.00 O ATOM 777 CB VAL A 52 -14.296 -0.634 19.656 1.00 0.00 C ATOM 778 CG1 VAL A 52 -12.802 -0.652 19.354 1.00 0.00 C ATOM 779 CG2 VAL A 52 -15.019 0.339 18.742 1.00 0.00 C ATOM 0 H VAL A 52 -16.617 -1.170 20.368 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.910 -2.340 18.483 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.421 -0.300 20.686 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.399 0.357 19.449 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.296 -1.312 20.059 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.640 -1.013 18.338 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -14.575 1.329 18.841 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.930 0.003 17.709 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -16.072 0.385 19.019 1.00 0.00 H new ATOM 789 N ASN A 53 -14.272 -3.041 21.628 1.00 0.00 N ATOM 790 CA ASN A 53 -13.533 -3.927 22.512 1.00 0.00 C ATOM 791 C ASN A 53 -13.851 -5.393 22.230 1.00 0.00 C ATOM 792 O ASN A 53 -12.984 -6.255 22.360 1.00 0.00 O ATOM 793 CB ASN A 53 -13.828 -3.603 23.973 1.00 0.00 C ATOM 794 CG ASN A 53 -13.225 -2.284 24.423 1.00 0.00 C ATOM 795 OD1 ASN A 53 -12.215 -1.828 23.883 1.00 0.00 O ATOM 796 ND2 ASN A 53 -13.841 -1.665 25.411 1.00 0.00 N ATOM 0 H ASN A 53 -14.945 -2.439 22.103 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.472 -3.766 22.320 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.907 -3.572 24.121 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.443 -4.405 24.602 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.484 -0.774 25.756 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.674 -2.077 25.830 1.00 0.00 H new ATOM 803 N SER A 54 -15.094 -5.675 21.842 1.00 0.00 N ATOM 804 CA SER A 54 -15.498 -7.047 21.553 1.00 0.00 C ATOM 805 C SER A 54 -15.017 -7.478 20.173 1.00 0.00 C ATOM 806 O SER A 54 -15.038 -8.659 19.837 1.00 0.00 O ATOM 807 CB SER A 54 -17.019 -7.206 21.658 1.00 0.00 C ATOM 808 OG SER A 54 -17.701 -6.487 20.640 1.00 0.00 O ATOM 0 H SER A 54 -15.830 -4.979 21.722 1.00 0.00 H new ATOM 0 HA SER A 54 -15.032 -7.692 22.298 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.278 -8.263 21.591 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.353 -6.857 22.635 1.00 0.00 H new ATOM 0 HG SER A 54 -17.117 -5.783 20.289 1.00 0.00 H new ATOM 814 N LEU A 55 -14.572 -6.515 19.392 1.00 0.00 N ATOM 815 CA LEU A 55 -14.109 -6.764 18.051 1.00 0.00 C ATOM 816 C LEU A 55 -12.606 -6.913 18.085 1.00 0.00 C ATOM 817 O LEU A 55 -11.902 -6.112 18.705 1.00 0.00 O ATOM 818 CB LEU A 55 -14.544 -5.617 17.119 1.00 0.00 C ATOM 819 CG LEU A 55 -14.449 -5.877 15.603 1.00 0.00 C ATOM 820 CD1 LEU A 55 -13.013 -5.785 15.112 1.00 0.00 C ATOM 821 CD2 LEU A 55 -15.050 -7.234 15.253 1.00 0.00 C ATOM 0 H LEU A 55 -14.523 -5.536 19.675 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.548 -7.682 17.660 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -15.577 -5.361 17.355 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -13.937 -4.742 17.352 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.023 -5.101 15.096 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.983 -5.974 14.039 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.622 -4.788 15.316 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.404 -6.527 15.628 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.974 -7.399 14.178 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.508 -8.019 15.780 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.099 -7.255 15.550 1.00 0.00 H new ATOM 833 N ARG A 56 -12.112 -7.936 17.437 1.00 0.00 N ATOM 834 CA ARG A 56 -10.716 -8.250 17.522 1.00 0.00 C ATOM 835 C ARG A 56 -10.166 -8.783 16.218 1.00 0.00 C ATOM 836 O ARG A 56 -10.856 -9.477 15.469 1.00 0.00 O ATOM 837 CB ARG A 56 -10.532 -9.264 18.640 1.00 0.00 C ATOM 838 CG ARG A 56 -11.502 -10.434 18.548 1.00 0.00 C ATOM 839 CD ARG A 56 -12.000 -10.839 19.920 1.00 0.00 C ATOM 840 NE ARG A 56 -12.940 -11.964 19.861 1.00 0.00 N ATOM 841 CZ ARG A 56 -13.306 -12.700 20.919 1.00 0.00 C ATOM 842 NH1 ARG A 56 -12.817 -12.433 22.121 1.00 0.00 N ATOM 843 NH2 ARG A 56 -14.175 -13.687 20.770 1.00 0.00 N ATOM 0 H ARG A 56 -12.658 -8.563 16.846 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.158 -7.338 17.734 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.510 -9.643 18.614 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.663 -8.765 19.600 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.348 -10.160 17.917 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.010 -11.282 18.072 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.151 -11.110 20.547 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.486 -9.986 20.394 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.342 -12.202 18.954 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.158 -11.664 22.244 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.099 -12.997 22.923 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.566 -13.887 19.850 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.454 -14.247 21.576 1.00 0.00 H new ATOM 857 N PHE A 57 -8.920 -8.446 15.959 1.00 0.00 N ATOM 858 CA PHE A 57 -8.215 -8.925 14.785 1.00 0.00 C ATOM 859 C PHE A 57 -7.010 -9.723 15.206 1.00 0.00 C ATOM 860 O PHE A 57 -6.393 -9.438 16.242 1.00 0.00 O ATOM 861 CB PHE A 57 -7.710 -7.776 13.931 1.00 0.00 C ATOM 862 CG PHE A 57 -8.754 -6.885 13.378 1.00 0.00 C ATOM 863 CD1 PHE A 57 -9.008 -5.676 13.957 1.00 0.00 C ATOM 864 CD2 PHE A 57 -9.457 -7.243 12.258 1.00 0.00 C ATOM 865 CE1 PHE A 57 -9.948 -4.835 13.430 1.00 0.00 C ATOM 866 CE2 PHE A 57 -10.406 -6.404 11.728 1.00 0.00 C ATOM 867 CZ PHE A 57 -10.649 -5.199 12.315 1.00 0.00 C ATOM 0 H PHE A 57 -8.366 -7.832 16.556 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.918 -9.530 14.213 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.025 -7.176 14.529 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.133 -8.188 13.103 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -8.461 -5.381 14.840 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.263 -8.195 11.787 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.137 -3.880 13.897 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.958 -6.699 10.848 1.00 0.00 H new ATOM 0 HZ PHE A 57 -11.393 -4.534 11.901 1.00 0.00 H new ATOM 877 N LEU A 58 -6.679 -10.710 14.427 1.00 0.00 N ATOM 878 CA LEU A 58 -5.493 -11.487 14.665 1.00 0.00 C ATOM 879 C LEU A 58 -4.600 -11.489 13.447 1.00 0.00 C ATOM 880 O LEU A 58 -5.068 -11.603 12.317 1.00 0.00 O ATOM 881 CB LEU A 58 -5.820 -12.916 15.091 1.00 0.00 C ATOM 882 CG LEU A 58 -5.941 -13.138 16.598 1.00 0.00 C ATOM 883 CD1 LEU A 58 -7.235 -12.582 17.142 1.00 0.00 C ATOM 884 CD2 LEU A 58 -5.788 -14.598 16.940 1.00 0.00 C ATOM 0 H LEU A 58 -7.219 -11.000 13.612 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.960 -11.014 15.490 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.758 -13.212 14.621 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.046 -13.579 14.704 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.129 -12.591 17.077 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.284 -12.759 18.216 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.280 -11.510 16.949 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.076 -13.075 16.654 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.878 -14.730 18.018 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.566 -15.173 16.438 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.809 -14.948 16.612 1.00 0.00 H new ATOM 896 N PHE A 59 -3.321 -11.357 13.681 1.00 0.00 N ATOM 897 CA PHE A 59 -2.347 -11.359 12.623 1.00 0.00 C ATOM 898 C PHE A 59 -1.441 -12.535 12.842 1.00 0.00 C ATOM 899 O PHE A 59 -0.905 -12.690 13.929 1.00 0.00 O ATOM 900 CB PHE A 59 -1.522 -10.072 12.654 1.00 0.00 C ATOM 901 CG PHE A 59 -0.677 -9.859 11.426 1.00 0.00 C ATOM 902 CD1 PHE A 59 -1.121 -9.038 10.405 1.00 0.00 C ATOM 903 CD2 PHE A 59 0.549 -10.487 11.289 1.00 0.00 C ATOM 904 CE1 PHE A 59 -0.358 -8.843 9.272 1.00 0.00 C ATOM 905 CE2 PHE A 59 1.319 -10.297 10.159 1.00 0.00 C ATOM 906 CZ PHE A 59 0.863 -9.471 9.149 1.00 0.00 C ATOM 0 H PHE A 59 -2.925 -11.245 14.614 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.846 -11.423 11.656 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.196 -9.223 12.771 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.874 -10.088 13.530 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.077 -8.543 10.496 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.908 -11.134 12.076 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.717 -8.199 8.483 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.274 -10.792 10.065 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.463 -9.318 8.264 1.00 0.00 H new ATOM 916 N ASP A 60 -1.296 -13.378 11.836 1.00 0.00 N ATOM 917 CA ASP A 60 -0.444 -14.572 11.939 1.00 0.00 C ATOM 918 C ASP A 60 -0.929 -15.473 13.092 1.00 0.00 C ATOM 919 O ASP A 60 -0.168 -16.233 13.686 1.00 0.00 O ATOM 920 CB ASP A 60 1.014 -14.132 12.151 1.00 0.00 C ATOM 921 CG ASP A 60 2.025 -15.248 11.988 1.00 0.00 C ATOM 922 OD1 ASP A 60 2.056 -15.879 10.912 1.00 0.00 O ATOM 923 OD2 ASP A 60 2.823 -15.470 12.924 1.00 0.00 O ATOM 0 H ASP A 60 -1.754 -13.267 10.932 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.505 -15.152 11.018 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.249 -13.337 11.444 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.113 -13.709 13.151 1.00 0.00 H new ATOM 928 N GLY A 61 -2.223 -15.369 13.386 1.00 0.00 N ATOM 929 CA GLY A 61 -2.837 -16.183 14.410 1.00 0.00 C ATOM 930 C GLY A 61 -2.610 -15.643 15.796 1.00 0.00 C ATOM 931 O GLY A 61 -2.801 -16.353 16.784 1.00 0.00 O ATOM 0 H GLY A 61 -2.862 -14.723 12.922 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.909 -16.249 14.222 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.439 -17.196 14.350 1.00 0.00 H new ATOM 935 N ARG A 62 -2.194 -14.391 15.880 1.00 0.00 N ATOM 936 CA ARG A 62 -1.960 -13.766 17.156 1.00 0.00 C ATOM 937 C ARG A 62 -2.602 -12.400 17.245 1.00 0.00 C ATOM 938 O ARG A 62 -2.839 -11.744 16.242 1.00 0.00 O ATOM 939 CB ARG A 62 -0.465 -13.741 17.486 1.00 0.00 C ATOM 940 CG ARG A 62 0.428 -12.922 16.555 1.00 0.00 C ATOM 941 CD ARG A 62 0.297 -11.429 16.800 1.00 0.00 C ATOM 942 NE ARG A 62 1.403 -10.681 16.218 1.00 0.00 N ATOM 943 CZ ARG A 62 1.628 -9.395 16.457 1.00 0.00 C ATOM 944 NH1 ARG A 62 0.793 -8.708 17.223 1.00 0.00 N ATOM 945 NH2 ARG A 62 2.684 -8.792 15.926 1.00 0.00 N ATOM 0 H ARG A 62 -2.013 -13.792 15.074 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.446 -14.373 17.920 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.346 -13.355 18.498 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.100 -14.768 17.491 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.467 -13.221 16.695 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.169 -13.142 15.519 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.643 -11.074 16.378 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.256 -11.240 17.873 1.00 0.00 H new ATOM 0 HE ARG A 62 2.040 -11.173 15.592 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.022 -9.168 17.629 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.966 -7.720 17.407 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.326 -9.317 15.332 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.854 -7.804 16.112 1.00 0.00 H new ATOM 959 N ARG A 63 -2.874 -12.001 18.454 1.00 0.00 N ATOM 960 CA ARG A 63 -3.581 -10.770 18.756 1.00 0.00 C ATOM 961 C ARG A 63 -2.902 -9.518 18.218 1.00 0.00 C ATOM 962 O ARG A 63 -1.680 -9.377 18.284 1.00 0.00 O ATOM 963 CB ARG A 63 -3.691 -10.627 20.266 1.00 0.00 C ATOM 964 CG ARG A 63 -4.579 -11.648 20.934 1.00 0.00 C ATOM 965 CD ARG A 63 -6.023 -11.354 20.652 1.00 0.00 C ATOM 966 NE ARG A 63 -6.374 -10.002 21.114 1.00 0.00 N ATOM 967 CZ ARG A 63 -7.608 -9.548 21.292 1.00 0.00 C ATOM 968 NH1 ARG A 63 -8.649 -10.342 21.107 1.00 0.00 N ATOM 969 NH2 ARG A 63 -7.798 -8.292 21.676 1.00 0.00 N ATOM 0 H ARG A 63 -2.607 -12.530 19.285 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.553 -10.847 18.269 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.692 -10.697 20.697 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.069 -9.631 20.496 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.328 -12.646 20.576 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.404 -11.642 22.010 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.216 -11.441 19.583 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.654 -12.090 21.150 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.606 -9.361 21.314 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.507 -11.312 20.825 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.594 -9.985 21.246 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.997 -7.680 21.833 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.745 -7.939 21.814 1.00 0.00 H new ATOM 983 N ILE A 64 -3.714 -8.626 17.670 1.00 0.00 N ATOM 984 CA ILE A 64 -3.262 -7.285 17.325 1.00 0.00 C ATOM 985 C ILE A 64 -3.782 -6.365 18.421 1.00 0.00 C ATOM 986 O ILE A 64 -4.992 -6.116 18.512 1.00 0.00 O ATOM 987 CB ILE A 64 -3.828 -6.808 15.954 1.00 0.00 C ATOM 988 CG1 ILE A 64 -3.420 -7.785 14.847 1.00 0.00 C ATOM 989 CG2 ILE A 64 -3.331 -5.379 15.627 1.00 0.00 C ATOM 990 CD1 ILE A 64 -4.118 -7.533 13.529 1.00 0.00 C ATOM 0 H ILE A 64 -4.694 -8.807 17.454 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.175 -7.274 17.243 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.916 -6.784 16.016 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.342 -7.720 14.696 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.636 -8.802 15.174 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.737 -5.064 14.666 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.664 -4.691 16.405 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.242 -5.374 15.580 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.780 -8.262 12.793 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.196 -7.627 13.664 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.882 -6.528 13.179 1.00 0.00 H new ATOM 1002 N ASN A 65 -2.892 -5.875 19.250 1.00 0.00 N ATOM 1003 CA ASN A 65 -3.289 -5.086 20.404 1.00 0.00 C ATOM 1004 C ASN A 65 -2.684 -3.705 20.350 1.00 0.00 C ATOM 1005 O ASN A 65 -1.731 -3.472 19.626 1.00 0.00 O ATOM 1006 CB ASN A 65 -2.878 -5.781 21.709 1.00 0.00 C ATOM 1007 CG ASN A 65 -3.575 -7.118 21.934 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -4.729 -7.321 21.536 1.00 0.00 O ATOM 1009 ND2 ASN A 65 -2.878 -8.037 22.573 1.00 0.00 N ATOM 0 H ASN A 65 -1.885 -6.006 19.152 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.375 -4.993 20.380 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.800 -5.939 21.702 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.098 -5.120 22.548 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.288 -8.953 22.755 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.929 -7.832 22.886 1.00 0.00 H new ATOM 1016 N ASP A 66 -3.258 -2.785 21.120 1.00 0.00 N ATOM 1017 CA ASP A 66 -2.792 -1.392 21.203 1.00 0.00 C ATOM 1018 C ASP A 66 -1.332 -1.274 21.655 1.00 0.00 C ATOM 1019 O ASP A 66 -0.721 -0.208 21.568 1.00 0.00 O ATOM 1020 CB ASP A 66 -3.770 -0.564 22.063 1.00 0.00 C ATOM 1021 CG ASP A 66 -3.217 0.764 22.556 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -3.213 1.737 21.786 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -2.807 0.841 23.734 1.00 0.00 O ATOM 0 H ASP A 66 -4.066 -2.980 21.711 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.794 -0.971 20.198 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.671 -0.373 21.481 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.068 -1.160 22.925 1.00 0.00 H new ATOM 1028 N ASP A 67 -0.774 -2.374 22.088 1.00 0.00 N ATOM 1029 CA ASP A 67 0.625 -2.424 22.490 1.00 0.00 C ATOM 1030 C ASP A 67 1.523 -2.638 21.263 1.00 0.00 C ATOM 1031 O ASP A 67 2.739 -2.413 21.313 1.00 0.00 O ATOM 1032 CB ASP A 67 0.845 -3.552 23.507 1.00 0.00 C ATOM 1033 CG ASP A 67 2.273 -3.618 24.017 1.00 0.00 C ATOM 1034 OD1 ASP A 67 2.683 -2.706 24.765 1.00 0.00 O ATOM 1035 OD2 ASP A 67 2.985 -4.594 23.687 1.00 0.00 O ATOM 0 H ASP A 67 -1.267 -3.263 22.175 1.00 0.00 H new ATOM 0 HA ASP A 67 0.888 -1.474 22.956 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.170 -3.410 24.351 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.585 -4.505 23.047 1.00 0.00 H new ATOM 1040 N ASP A 68 0.909 -3.053 20.156 1.00 0.00 N ATOM 1041 CA ASP A 68 1.637 -3.392 18.942 1.00 0.00 C ATOM 1042 C ASP A 68 2.208 -2.191 18.224 1.00 0.00 C ATOM 1043 O ASP A 68 1.656 -1.082 18.264 1.00 0.00 O ATOM 1044 CB ASP A 68 0.771 -4.207 17.982 1.00 0.00 C ATOM 1045 CG ASP A 68 0.727 -5.674 18.337 1.00 0.00 C ATOM 1046 OD1 ASP A 68 1.696 -6.389 18.009 1.00 0.00 O ATOM 1047 OD2 ASP A 68 -0.268 -6.129 18.932 1.00 0.00 O ATOM 0 H ASP A 68 -0.102 -3.162 20.079 1.00 0.00 H new ATOM 0 HA ASP A 68 2.481 -3.998 19.272 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.243 -3.806 17.985 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.155 -4.094 16.968 1.00 0.00 H new ATOM 1052 N THR A 69 3.314 -2.431 17.559 1.00 0.00 N ATOM 1053 CA THR A 69 3.985 -1.436 16.769 1.00 0.00 C ATOM 1054 C THR A 69 4.004 -1.879 15.305 1.00 0.00 C ATOM 1055 O THR A 69 3.925 -3.074 15.014 1.00 0.00 O ATOM 1056 CB THR A 69 5.425 -1.215 17.276 1.00 0.00 C ATOM 1057 OG1 THR A 69 6.110 -2.473 17.360 1.00 0.00 O ATOM 1058 CG2 THR A 69 5.423 -0.541 18.638 1.00 0.00 C ATOM 0 H THR A 69 3.777 -3.340 17.554 1.00 0.00 H new ATOM 0 HA THR A 69 3.446 -0.493 16.857 1.00 0.00 H new ATOM 0 HB THR A 69 5.941 -0.565 16.570 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.623 -2.511 18.194 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.450 -0.396 18.974 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.925 0.426 18.565 1.00 0.00 H new ATOM 0 HG23 THR A 69 4.892 -1.169 19.354 1.00 0.00 H new ATOM 1066 N PRO A 70 4.108 -0.931 14.369 1.00 0.00 N ATOM 1067 CA PRO A 70 4.061 -1.226 12.923 1.00 0.00 C ATOM 1068 C PRO A 70 5.087 -2.268 12.473 1.00 0.00 C ATOM 1069 O PRO A 70 4.770 -3.146 11.667 1.00 0.00 O ATOM 1070 CB PRO A 70 4.367 0.132 12.286 1.00 0.00 C ATOM 1071 CG PRO A 70 3.931 1.121 13.311 1.00 0.00 C ATOM 1072 CD PRO A 70 4.270 0.512 14.628 1.00 0.00 C ATOM 0 HA PRO A 70 3.102 -1.657 12.637 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.428 0.235 12.058 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.826 0.264 11.349 1.00 0.00 H new ATOM 0 HG2 PRO A 70 4.442 2.075 13.177 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.862 1.319 13.235 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.286 0.756 14.938 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.604 0.859 15.418 1.00 0.00 H new ATOM 1080 N LYS A 71 6.300 -2.194 13.009 1.00 0.00 N ATOM 1081 CA LYS A 71 7.343 -3.104 12.600 1.00 0.00 C ATOM 1082 C LYS A 71 7.093 -4.533 13.103 1.00 0.00 C ATOM 1083 O LYS A 71 7.483 -5.497 12.453 1.00 0.00 O ATOM 1084 CB LYS A 71 8.730 -2.571 13.033 1.00 0.00 C ATOM 1085 CG LYS A 71 8.916 -2.402 14.536 1.00 0.00 C ATOM 1086 CD LYS A 71 9.145 -3.733 15.206 1.00 0.00 C ATOM 1087 CE LYS A 71 8.923 -3.666 16.693 1.00 0.00 C ATOM 1088 NZ LYS A 71 9.874 -2.747 17.367 1.00 0.00 N ATOM 0 H LYS A 71 6.576 -1.517 13.721 1.00 0.00 H new ATOM 0 HA LYS A 71 7.330 -3.158 11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.496 -3.252 12.662 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.899 -1.608 12.551 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.763 -1.743 14.729 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.035 -1.923 14.963 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.475 -4.476 14.773 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.163 -4.068 15.007 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.903 -3.337 16.891 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.024 -4.665 17.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.714 -2.774 18.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.849 -3.044 17.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.726 -1.778 17.019 1.00 0.00 H new ATOM 1102 N THR A 72 6.422 -4.664 14.256 1.00 0.00 N ATOM 1103 CA THR A 72 6.181 -5.981 14.829 1.00 0.00 C ATOM 1104 C THR A 72 4.986 -6.636 14.168 1.00 0.00 C ATOM 1105 O THR A 72 4.904 -7.858 14.083 1.00 0.00 O ATOM 1106 CB THR A 72 6.006 -5.950 16.380 1.00 0.00 C ATOM 1107 OG1 THR A 72 6.202 -7.263 16.919 1.00 0.00 O ATOM 1108 CG2 THR A 72 4.624 -5.463 16.778 1.00 0.00 C ATOM 0 H THR A 72 6.045 -3.885 14.796 1.00 0.00 H new ATOM 0 HA THR A 72 7.072 -6.577 14.631 1.00 0.00 H new ATOM 0 HB THR A 72 6.749 -5.259 16.779 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.092 -7.237 17.892 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.540 -5.455 17.865 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.469 -4.454 16.395 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.869 -6.129 16.361 1.00 0.00 H new ATOM 1116 N LEU A 73 4.054 -5.813 13.693 1.00 0.00 N ATOM 1117 CA LEU A 73 2.912 -6.324 12.971 1.00 0.00 C ATOM 1118 C LEU A 73 3.368 -6.842 11.627 1.00 0.00 C ATOM 1119 O LEU A 73 2.742 -7.714 11.049 1.00 0.00 O ATOM 1120 CB LEU A 73 1.851 -5.231 12.796 1.00 0.00 C ATOM 1121 CG LEU A 73 1.186 -4.753 14.089 1.00 0.00 C ATOM 1122 CD1 LEU A 73 0.295 -3.548 13.829 1.00 0.00 C ATOM 1123 CD2 LEU A 73 0.382 -5.880 14.719 1.00 0.00 C ATOM 0 H LEU A 73 4.074 -4.799 13.798 1.00 0.00 H new ATOM 0 HA LEU A 73 2.461 -7.139 13.538 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.313 -4.374 12.306 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.077 -5.603 12.125 1.00 0.00 H new ATOM 0 HG LEU A 73 1.971 -4.452 14.783 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.166 -3.228 14.763 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.894 -2.733 13.422 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.483 -3.818 13.115 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.085 -5.525 15.638 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.390 -6.209 14.023 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.044 -6.715 14.948 1.00 0.00 H new ATOM 1135 N GLU A 74 4.504 -6.293 11.160 1.00 0.00 N ATOM 1136 CA GLU A 74 5.147 -6.700 9.900 1.00 0.00 C ATOM 1137 C GLU A 74 4.139 -6.801 8.725 1.00 0.00 C ATOM 1138 O GLU A 74 4.327 -7.581 7.791 1.00 0.00 O ATOM 1139 CB GLU A 74 5.879 -8.035 10.117 1.00 0.00 C ATOM 1140 CG GLU A 74 6.874 -8.391 9.026 1.00 0.00 C ATOM 1141 CD GLU A 74 7.659 -9.637 9.350 1.00 0.00 C ATOM 1142 OE1 GLU A 74 8.382 -9.638 10.366 1.00 0.00 O ATOM 1143 OE2 GLU A 74 7.565 -10.621 8.588 1.00 0.00 O ATOM 0 H GLU A 74 5.003 -5.551 11.650 1.00 0.00 H new ATOM 0 HA GLU A 74 5.864 -5.929 9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.404 -7.996 11.072 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.140 -8.833 10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.342 -8.534 8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.562 -7.559 8.880 1.00 0.00 H new ATOM 1150 N MET A 75 3.095 -5.987 8.767 1.00 0.00 N ATOM 1151 CA MET A 75 2.079 -6.006 7.722 1.00 0.00 C ATOM 1152 C MET A 75 2.574 -5.328 6.448 1.00 0.00 C ATOM 1153 O MET A 75 3.528 -4.540 6.476 1.00 0.00 O ATOM 1154 CB MET A 75 0.767 -5.373 8.204 1.00 0.00 C ATOM 1155 CG MET A 75 0.908 -3.955 8.735 1.00 0.00 C ATOM 1156 SD MET A 75 -0.680 -3.210 9.159 1.00 0.00 S ATOM 1157 CE MET A 75 -1.228 -4.290 10.476 1.00 0.00 C ATOM 0 H MET A 75 2.928 -5.307 9.509 1.00 0.00 H new ATOM 0 HA MET A 75 1.879 -7.051 7.486 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.056 -5.369 7.378 1.00 0.00 H new ATOM 0 HB3 MET A 75 0.342 -6.000 8.988 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.548 -3.964 9.617 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.406 -3.339 7.986 1.00 0.00 H new ATOM 0 HE1 MET A 75 -1.865 -3.732 11.163 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.791 -5.122 10.054 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.362 -4.674 11.015 1.00 0.00 H new ATOM 1167 N GLU A 76 1.923 -5.634 5.337 1.00 0.00 N ATOM 1168 CA GLU A 76 2.297 -5.096 4.052 1.00 0.00 C ATOM 1169 C GLU A 76 1.061 -4.925 3.194 1.00 0.00 C ATOM 1170 O GLU A 76 -0.052 -5.188 3.651 1.00 0.00 O ATOM 1171 CB GLU A 76 3.323 -5.999 3.359 1.00 0.00 C ATOM 1172 CG GLU A 76 2.848 -7.420 3.128 1.00 0.00 C ATOM 1173 CD GLU A 76 3.910 -8.276 2.489 1.00 0.00 C ATOM 1174 OE1 GLU A 76 4.155 -8.120 1.276 1.00 0.00 O ATOM 1175 OE2 GLU A 76 4.513 -9.107 3.192 1.00 0.00 O ATOM 0 H GLU A 76 1.121 -6.263 5.308 1.00 0.00 H new ATOM 0 HA GLU A 76 2.763 -4.122 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.589 -5.557 2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.232 -6.025 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.551 -7.862 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.963 -7.407 2.492 1.00 0.00 H new ATOM 1182 N ASP A 77 1.249 -4.485 1.967 1.00 0.00 N ATOM 1183 CA ASP A 77 0.130 -4.217 1.079 1.00 0.00 C ATOM 1184 C ASP A 77 -0.640 -5.476 0.698 1.00 0.00 C ATOM 1185 O ASP A 77 -0.088 -6.416 0.130 1.00 0.00 O ATOM 1186 CB ASP A 77 0.590 -3.477 -0.171 1.00 0.00 C ATOM 1187 CG ASP A 77 -0.560 -3.147 -1.099 1.00 0.00 C ATOM 1188 OD1 ASP A 77 -1.487 -2.444 -0.669 1.00 0.00 O ATOM 1189 OD2 ASP A 77 -0.527 -3.576 -2.273 1.00 0.00 O ATOM 0 H ASP A 77 2.166 -4.304 1.559 1.00 0.00 H new ATOM 0 HA ASP A 77 -0.557 -3.580 1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.095 -2.556 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.320 -4.086 -0.703 1.00 0.00 H new ATOM 1194 N ASP A 78 -1.921 -5.463 1.050 1.00 0.00 N ATOM 1195 CA ASP A 78 -2.883 -6.531 0.742 1.00 0.00 C ATOM 1196 C ASP A 78 -2.557 -7.788 1.541 1.00 0.00 C ATOM 1197 O ASP A 78 -2.773 -8.913 1.092 1.00 0.00 O ATOM 1198 CB ASP A 78 -2.930 -6.791 -0.780 1.00 0.00 C ATOM 1199 CG ASP A 78 -4.079 -7.683 -1.244 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -5.231 -7.199 -1.301 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -3.826 -8.857 -1.599 1.00 0.00 O ATOM 0 H ASP A 78 -2.336 -4.691 1.572 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.882 -6.214 1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.002 -5.833 -1.296 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.989 -7.248 -1.085 1.00 0.00 H new ATOM 1206 N ASP A 79 -2.048 -7.579 2.758 1.00 0.00 N ATOM 1207 CA ASP A 79 -1.743 -8.687 3.648 1.00 0.00 C ATOM 1208 C ASP A 79 -3.025 -9.196 4.287 1.00 0.00 C ATOM 1209 O ASP A 79 -4.102 -8.632 4.082 1.00 0.00 O ATOM 1210 CB ASP A 79 -0.723 -8.314 4.723 1.00 0.00 C ATOM 1211 CG ASP A 79 0.027 -9.533 5.262 1.00 0.00 C ATOM 1212 OD1 ASP A 79 1.113 -9.855 4.737 1.00 0.00 O ATOM 1213 OD2 ASP A 79 -0.476 -10.186 6.190 1.00 0.00 O ATOM 0 H ASP A 79 -1.842 -6.657 3.142 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.290 -9.476 3.047 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.007 -7.604 4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.233 -7.811 5.545 1.00 0.00 H new ATOM 1218 N VAL A 80 -2.904 -10.224 5.068 1.00 0.00 N ATOM 1219 CA VAL A 80 -4.040 -10.919 5.595 1.00 0.00 C ATOM 1220 C VAL A 80 -4.192 -10.694 7.088 1.00 0.00 C ATOM 1221 O VAL A 80 -3.229 -10.767 7.850 1.00 0.00 O ATOM 1222 CB VAL A 80 -3.889 -12.410 5.345 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -5.171 -13.155 5.670 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -3.417 -12.659 3.924 1.00 0.00 C ATOM 0 H VAL A 80 -2.006 -10.609 5.361 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.925 -10.531 5.091 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.126 -12.803 6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.031 -14.219 5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.424 -13.003 6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.980 -12.778 5.043 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.313 -13.731 3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.145 -12.252 3.222 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.454 -12.173 3.770 1.00 0.00 H new ATOM 1234 N ILE A 81 -5.400 -10.432 7.482 1.00 0.00 N ATOM 1235 CA ILE A 81 -5.758 -10.223 8.859 1.00 0.00 C ATOM 1236 C ILE A 81 -6.995 -11.038 9.196 1.00 0.00 C ATOM 1237 O ILE A 81 -7.973 -11.035 8.451 1.00 0.00 O ATOM 1238 CB ILE A 81 -5.936 -8.712 9.191 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -4.610 -8.141 9.728 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -7.095 -8.459 10.146 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -4.654 -6.672 10.093 1.00 0.00 C ATOM 0 H ILE A 81 -6.189 -10.355 6.840 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.939 -10.571 9.489 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.194 -8.189 8.270 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -4.315 -8.711 10.609 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.835 -8.291 8.977 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.176 -7.390 10.345 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.022 -8.815 9.696 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.918 -8.990 11.081 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.677 -6.359 10.461 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.915 -6.086 9.212 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.402 -6.512 10.869 1.00 0.00 H new ATOM 1253 N GLU A 82 -6.935 -11.740 10.304 1.00 0.00 N ATOM 1254 CA GLU A 82 -7.994 -12.656 10.689 1.00 0.00 C ATOM 1255 C GLU A 82 -8.931 -12.026 11.703 1.00 0.00 C ATOM 1256 O GLU A 82 -8.504 -11.286 12.581 1.00 0.00 O ATOM 1257 CB GLU A 82 -7.379 -13.915 11.279 1.00 0.00 C ATOM 1258 CG GLU A 82 -6.447 -14.652 10.327 1.00 0.00 C ATOM 1259 CD GLU A 82 -7.155 -15.208 9.112 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -8.298 -15.685 9.251 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -6.558 -15.200 8.020 1.00 0.00 O ATOM 0 H GLU A 82 -6.158 -11.696 10.963 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.575 -12.901 9.800 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.826 -13.649 12.180 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.179 -14.590 11.583 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.659 -13.973 10.001 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.962 -15.468 10.863 1.00 0.00 H new ATOM 1268 N VAL A 83 -10.203 -12.316 11.566 1.00 0.00 N ATOM 1269 CA VAL A 83 -11.209 -11.829 12.490 1.00 0.00 C ATOM 1270 C VAL A 83 -12.017 -12.969 13.039 1.00 0.00 C ATOM 1271 O VAL A 83 -12.529 -13.808 12.296 1.00 0.00 O ATOM 1272 CB VAL A 83 -12.162 -10.810 11.838 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -13.241 -10.358 12.815 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -11.392 -9.634 11.354 1.00 0.00 C ATOM 0 H VAL A 83 -10.573 -12.895 10.813 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.672 -11.327 13.295 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.652 -11.296 10.994 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.898 -9.639 12.325 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.824 -11.221 13.138 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.774 -9.891 13.682 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.073 -8.918 10.894 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.882 -9.162 12.194 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.656 -9.959 10.619 1.00 0.00 H new ATOM 1284 N TYR A 84 -12.125 -13.001 14.325 1.00 0.00 N ATOM 1285 CA TYR A 84 -12.877 -14.008 14.995 1.00 0.00 C ATOM 1286 C TYR A 84 -14.150 -13.417 15.543 1.00 0.00 C ATOM 1287 O TYR A 84 -14.308 -12.196 15.551 1.00 0.00 O ATOM 1288 CB TYR A 84 -12.021 -14.700 16.040 1.00 0.00 C ATOM 1289 CG TYR A 84 -10.875 -15.427 15.379 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -9.602 -14.877 15.330 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -11.088 -16.642 14.741 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -8.576 -15.514 14.663 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -10.066 -17.290 14.085 1.00 0.00 C ATOM 1294 CZ TYR A 84 -8.814 -16.722 14.046 1.00 0.00 C ATOM 1295 OH TYR A 84 -7.804 -17.352 13.361 1.00 0.00 O ATOM 0 H TYR A 84 -11.689 -12.321 14.947 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.176 -14.786 14.292 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.635 -13.967 16.748 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -12.628 -15.404 16.609 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.411 -13.935 15.822 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -12.072 -17.086 14.760 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.593 -15.068 14.625 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.246 -18.240 13.603 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.138 -18.194 12.986 1.00 0.00 H new ATOM 1305 N GLN A 85 -15.054 -14.258 15.997 1.00 0.00 N ATOM 1306 CA GLN A 85 -16.377 -13.800 16.385 1.00 0.00 C ATOM 1307 C GLN A 85 -16.309 -12.867 17.580 1.00 0.00 C ATOM 1308 O GLN A 85 -15.539 -13.080 18.518 1.00 0.00 O ATOM 1309 CB GLN A 85 -17.281 -14.994 16.705 1.00 0.00 C ATOM 1310 CG GLN A 85 -16.822 -15.809 17.904 1.00 0.00 C ATOM 1311 CD GLN A 85 -17.684 -17.021 18.150 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -18.707 -16.943 18.831 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -17.269 -18.151 17.623 1.00 0.00 N ATOM 0 H GLN A 85 -14.901 -15.260 16.108 1.00 0.00 H new ATOM 0 HA GLN A 85 -16.798 -13.247 15.545 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -18.293 -14.632 16.889 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -17.329 -15.645 15.832 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -15.791 -16.127 17.748 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -16.830 -15.177 18.792 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -16.415 -18.170 17.065 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -17.801 -19.009 17.772 1.00 0.00 H new ATOM 1322 N GLU A 86 -17.098 -11.819 17.509 1.00 0.00 N ATOM 1323 CA GLU A 86 -17.150 -10.806 18.530 1.00 0.00 C ATOM 1324 C GLU A 86 -18.312 -11.065 19.490 1.00 0.00 C ATOM 1325 O GLU A 86 -19.261 -11.775 19.147 1.00 0.00 O ATOM 1326 CB GLU A 86 -17.240 -9.401 17.894 1.00 0.00 C ATOM 1327 CG GLU A 86 -18.440 -9.166 16.979 1.00 0.00 C ATOM 1328 CD GLU A 86 -18.392 -9.939 15.667 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -18.807 -11.118 15.651 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -17.960 -9.365 14.652 1.00 0.00 O ATOM 0 H GLU A 86 -17.730 -11.647 16.727 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.229 -10.849 19.111 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.265 -8.661 18.694 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -16.329 -9.222 17.322 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.349 -9.440 17.515 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.509 -8.101 16.757 1.00 0.00 H new ATOM 1337 N GLN A 87 -18.247 -10.464 20.676 1.00 0.00 N ATOM 1338 CA GLN A 87 -19.227 -10.720 21.736 1.00 0.00 C ATOM 1339 C GLN A 87 -20.635 -10.336 21.316 1.00 0.00 C ATOM 1340 O GLN A 87 -21.581 -11.096 21.504 1.00 0.00 O ATOM 1341 CB GLN A 87 -18.844 -9.945 23.001 1.00 0.00 C ATOM 1342 CG GLN A 87 -19.781 -10.162 24.178 1.00 0.00 C ATOM 1343 CD GLN A 87 -19.811 -11.609 24.638 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -20.627 -12.407 24.172 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -18.922 -11.957 25.546 1.00 0.00 N ATOM 0 H GLN A 87 -17.523 -9.792 20.931 1.00 0.00 H new ATOM 0 HA GLN A 87 -19.217 -11.792 21.936 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -17.835 -10.233 23.297 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -18.816 -8.881 22.766 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -19.470 -9.527 25.008 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -20.788 -9.852 23.899 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.264 -11.266 25.906 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.892 -12.917 25.889 1.00 0.00 H new ATOM 1354 N LEU A 88 -20.765 -9.172 20.730 1.00 0.00 N ATOM 1355 CA LEU A 88 -22.063 -8.670 20.349 1.00 0.00 C ATOM 1356 C LEU A 88 -22.426 -9.059 18.920 1.00 0.00 C ATOM 1357 O LEU A 88 -23.541 -8.810 18.464 1.00 0.00 O ATOM 1358 CB LEU A 88 -22.113 -7.156 20.542 1.00 0.00 C ATOM 1359 CG LEU A 88 -21.883 -6.662 21.974 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -21.954 -5.151 22.033 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -22.884 -7.284 22.932 1.00 0.00 C ATOM 0 H LEU A 88 -19.986 -8.552 20.506 1.00 0.00 H new ATOM 0 HA LEU A 88 -22.809 -9.131 20.997 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -21.363 -6.701 19.895 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -23.085 -6.797 20.205 1.00 0.00 H new ATOM 0 HG LEU A 88 -20.885 -6.972 22.283 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -21.788 -4.819 23.058 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -21.188 -4.725 21.385 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -22.937 -4.820 21.699 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -22.698 -6.917 23.941 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -23.895 -7.014 22.628 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -22.778 -8.369 22.916 1.00 0.00 H new