USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 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 85 LYS NZ :NH3+ 161:sc= -1.24 (180deg=-0.837) USER MOD Set 1.2: A 94 MET CE :methyl -136:sc= -0.018 (180deg=0) USER MOD Set 2.1: A 73 THR OG1 : rot -80:sc= 0.43 USER MOD Set 2.2: A 74 MET CE :methyl 155:sc=-0.00754 (180deg=-0.425) USER MOD Set 3.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 63 THR OG1 : rot 31:sc= 0.0973 USER MOD Single : A 15 THR OG1 : rot 32:sc= 0.0705 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1.37 K(o=-1.4,f=-0.36!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 27 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.011) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -120:sc= 1.22 (180deg=-0.667) USER MOD Single : A 33 SER OG : rot 170:sc= -0.87 USER MOD Single : A 34 LYS NZ :NH3+ -158:sc= -0.0612 (180deg=-0.439) USER MOD Single : A 35 GLN : amide:sc= -0.0464 K(o=-0.046,f=-1.4) USER MOD Single : A 37 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.23) USER MOD Single : A 38 GLN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -0.0313 (180deg=-0.25) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 81 SER OG : rot 180:sc= -0.95 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -134:sc= 0.0117 USER MOD Single : A 95 CYS SG : rot 70:sc= 0.13 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 168 N THR A 15 -9.393 6.856 11.449 1.00 0.00 N ATOM 169 CA THR A 15 -8.265 6.706 10.539 1.00 0.00 C ATOM 170 C THR A 15 -7.466 5.447 10.856 1.00 0.00 C ATOM 171 O THR A 15 -7.195 5.148 12.019 1.00 0.00 O ATOM 172 CB THR A 15 -7.326 7.926 10.602 1.00 0.00 C ATOM 173 OG1 THR A 15 -8.050 9.118 10.278 1.00 0.00 O ATOM 174 CG2 THR A 15 -6.158 7.759 9.642 1.00 0.00 C ATOM 0 HA THR A 15 -8.679 6.627 9.534 1.00 0.00 H new ATOM 0 HB THR A 15 -6.934 8.004 11.616 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.980 9.026 10.573 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.509 8.632 9.704 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.592 6.866 9.909 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.535 7.658 8.624 1.00 0.00 H new ATOM 182 N LYS A 16 -7.090 4.713 9.814 1.00 0.00 N ATOM 183 CA LYS A 16 -6.320 3.486 9.980 1.00 0.00 C ATOM 184 C LYS A 16 -4.900 3.660 9.452 1.00 0.00 C ATOM 185 O LYS A 16 -4.647 4.505 8.594 1.00 0.00 O ATOM 186 CB LYS A 16 -7.007 2.326 9.256 1.00 0.00 C ATOM 187 CG LYS A 16 -8.232 1.797 9.981 1.00 0.00 C ATOM 188 CD LYS A 16 -7.849 1.009 11.222 1.00 0.00 C ATOM 189 CE LYS A 16 -8.895 -0.041 11.561 1.00 0.00 C ATOM 190 NZ LYS A 16 -8.731 -0.561 12.947 1.00 0.00 N ATOM 0 H LYS A 16 -7.306 4.947 8.845 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.268 3.260 11.045 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.299 2.653 8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.292 1.514 9.128 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.877 2.629 10.262 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.807 1.161 9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.885 0.526 11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.730 1.690 12.064 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.890 0.389 11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.824 -0.866 10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.463 -1.274 13.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.791 -0.994 13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.824 0.222 13.625 1.00 0.00 H new ATOM 204 N GLU A 17 -3.978 2.854 9.969 1.00 0.00 N ATOM 205 CA GLU A 17 -2.583 2.919 9.547 1.00 0.00 C ATOM 206 C GLU A 17 -1.971 1.524 9.474 1.00 0.00 C ATOM 207 O GLU A 17 -2.311 0.642 10.264 1.00 0.00 O ATOM 208 CB GLU A 17 -1.777 3.793 10.511 1.00 0.00 C ATOM 209 CG GLU A 17 -2.367 5.177 10.716 1.00 0.00 C ATOM 210 CD GLU A 17 -3.386 5.216 11.838 1.00 0.00 C ATOM 211 OE1 GLU A 17 -3.217 4.461 12.819 1.00 0.00 O ATOM 212 OE2 GLU A 17 -4.353 6.001 11.736 1.00 0.00 O ATOM 0 H GLU A 17 -4.171 2.149 10.680 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.551 3.362 8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.710 3.289 11.475 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.760 3.893 10.133 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.564 5.881 10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.838 5.508 9.790 1.00 0.00 H new ATOM 219 N LEU A 18 -1.066 1.331 8.521 1.00 0.00 N ATOM 220 CA LEU A 18 -0.405 0.042 8.344 1.00 0.00 C ATOM 221 C LEU A 18 1.109 0.213 8.268 1.00 0.00 C ATOM 222 O LEU A 18 1.617 0.997 7.467 1.00 0.00 O ATOM 223 CB LEU A 18 -0.916 -0.645 7.076 1.00 0.00 C ATOM 224 CG LEU A 18 -0.808 -2.170 7.049 1.00 0.00 C ATOM 225 CD1 LEU A 18 -1.902 -2.797 7.900 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.881 -2.685 5.619 1.00 0.00 C ATOM 0 H LEU A 18 -0.773 2.050 7.859 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.639 -0.581 9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.962 -0.372 6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.365 -0.247 6.224 1.00 0.00 H new ATOM 0 HG LEU A 18 0.158 -2.454 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.810 -3.883 7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.804 -2.454 8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.878 -2.505 7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.802 -3.772 5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.831 -2.390 5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.062 -2.262 5.038 1.00 0.00 H new ATOM 238 N VAL A 19 1.826 -0.529 9.107 1.00 0.00 N ATOM 239 CA VAL A 19 3.282 -0.463 9.133 1.00 0.00 C ATOM 240 C VAL A 19 3.898 -1.843 8.934 1.00 0.00 C ATOM 241 O VAL A 19 3.471 -2.820 9.548 1.00 0.00 O ATOM 242 CB VAL A 19 3.793 0.129 10.461 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.313 0.182 10.471 1.00 0.00 C ATOM 244 CG2 VAL A 19 3.201 1.511 10.690 1.00 0.00 C ATOM 0 H VAL A 19 1.422 -1.183 9.778 1.00 0.00 H new ATOM 0 HA VAL A 19 3.584 0.188 8.313 1.00 0.00 H new ATOM 0 HB VAL A 19 3.471 -0.519 11.276 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.656 0.603 11.416 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.713 -0.825 10.356 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.661 0.807 9.648 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.572 1.914 11.632 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.492 2.171 9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.114 1.439 10.729 1.00 0.00 H new ATOM 254 N PHE A 20 4.907 -1.915 8.071 1.00 0.00 N ATOM 255 CA PHE A 20 5.583 -3.176 7.790 1.00 0.00 C ATOM 256 C PHE A 20 6.966 -2.930 7.193 1.00 0.00 C ATOM 257 O PHE A 20 7.168 -1.979 6.438 1.00 0.00 O ATOM 258 CB PHE A 20 4.746 -4.026 6.832 1.00 0.00 C ATOM 259 CG PHE A 20 4.268 -3.272 5.624 1.00 0.00 C ATOM 260 CD1 PHE A 20 3.088 -2.547 5.665 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.999 -3.287 4.447 1.00 0.00 C ATOM 262 CE1 PHE A 20 2.645 -1.854 4.554 1.00 0.00 C ATOM 263 CE2 PHE A 20 4.563 -2.595 3.333 1.00 0.00 C ATOM 264 CZ PHE A 20 3.384 -1.876 3.387 1.00 0.00 C ATOM 0 H PHE A 20 5.274 -1.115 7.555 1.00 0.00 H new ATOM 0 HA PHE A 20 5.702 -3.713 8.731 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.338 -4.881 6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.883 -4.421 7.369 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.508 -2.523 6.575 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.921 -3.847 4.400 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.722 -1.296 4.598 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.143 -2.616 2.422 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.041 -1.333 2.519 1.00 0.00 H new ATOM 274 N SER A 21 7.915 -3.794 7.539 1.00 0.00 N ATOM 275 CA SER A 21 9.280 -3.669 7.042 1.00 0.00 C ATOM 276 C SER A 21 9.319 -3.803 5.522 1.00 0.00 C ATOM 277 O SER A 21 8.464 -4.456 4.923 1.00 0.00 O ATOM 278 CB SER A 21 10.178 -4.730 7.682 1.00 0.00 C ATOM 279 OG SER A 21 10.559 -4.351 8.993 1.00 0.00 O ATOM 0 H SER A 21 7.764 -4.588 8.161 1.00 0.00 H new ATOM 0 HA SER A 21 9.650 -2.680 7.312 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.653 -5.685 7.714 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.067 -4.876 7.069 1.00 0.00 H new ATOM 0 HG SER A 21 11.131 -5.046 9.381 1.00 0.00 H new ATOM 285 N SER A 22 10.319 -3.181 4.905 1.00 0.00 N ATOM 286 CA SER A 22 10.469 -3.227 3.456 1.00 0.00 C ATOM 287 C SER A 22 10.875 -4.623 2.995 1.00 0.00 C ATOM 288 O SER A 22 10.716 -4.974 1.827 1.00 0.00 O ATOM 289 CB SER A 22 11.509 -2.203 2.997 1.00 0.00 C ATOM 290 OG SER A 22 11.920 -2.456 1.664 1.00 0.00 O ATOM 0 H SER A 22 11.037 -2.640 5.386 1.00 0.00 H new ATOM 0 HA SER A 22 9.506 -2.982 3.008 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.091 -1.199 3.068 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.374 -2.236 3.660 1.00 0.00 H new ATOM 0 HG SER A 22 12.583 -1.787 1.394 1.00 0.00 H new ATOM 296 N ASN A 23 11.401 -5.416 3.924 1.00 0.00 N ATOM 297 CA ASN A 23 11.831 -6.774 3.614 1.00 0.00 C ATOM 298 C ASN A 23 10.676 -7.759 3.767 1.00 0.00 C ATOM 299 O ASN A 23 10.830 -8.823 4.369 1.00 0.00 O ATOM 300 CB ASN A 23 12.990 -7.184 4.526 1.00 0.00 C ATOM 301 CG ASN A 23 13.715 -8.416 4.020 1.00 0.00 C ATOM 302 OD1 ASN A 23 13.092 -9.425 3.688 1.00 0.00 O ATOM 303 ND2 ASN A 23 15.040 -8.339 3.958 1.00 0.00 N ATOM 0 H ASN A 23 11.539 -5.141 4.896 1.00 0.00 H new ATOM 0 HA ASN A 23 12.167 -6.795 2.577 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.696 -6.357 4.606 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.609 -7.376 5.529 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.582 -9.136 3.625 1.00 0.00 H new ATOM 0 HD22 ASN A 23 15.515 -7.483 4.243 1.00 0.00 H new ATOM 310 N ILE A 24 9.521 -7.398 3.219 1.00 0.00 N ATOM 311 CA ILE A 24 8.341 -8.250 3.293 1.00 0.00 C ATOM 312 C ILE A 24 8.126 -9.006 1.986 1.00 0.00 C ATOM 313 O ILE A 24 8.203 -8.429 0.903 1.00 0.00 O ATOM 314 CB ILE A 24 7.076 -7.433 3.614 1.00 0.00 C ATOM 315 CG1 ILE A 24 5.854 -8.351 3.686 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.868 -6.346 2.569 1.00 0.00 C ATOM 317 CD1 ILE A 24 4.588 -7.640 4.111 1.00 0.00 C ATOM 0 H ILE A 24 9.377 -6.521 2.719 1.00 0.00 H new ATOM 0 HA ILE A 24 8.517 -8.963 4.098 1.00 0.00 H new ATOM 0 HB ILE A 24 7.206 -6.956 4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.694 -8.807 2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.059 -9.161 4.386 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.970 -5.777 2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.730 -5.678 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.755 -6.803 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.763 -8.352 4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.729 -7.207 5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.359 -6.848 3.398 1.00 0.00 H new ATOM 329 N GLY A 25 7.855 -10.303 2.097 1.00 0.00 N ATOM 330 CA GLY A 25 7.631 -11.118 0.917 1.00 0.00 C ATOM 331 C GLY A 25 6.313 -10.805 0.238 1.00 0.00 C ATOM 332 O GLY A 25 5.510 -10.029 0.756 1.00 0.00 O ATOM 0 H GLY A 25 7.787 -10.804 2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.446 -10.961 0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.651 -12.171 1.198 1.00 0.00 H new ATOM 336 N GLN A 26 6.090 -11.409 -0.925 1.00 0.00 N ATOM 337 CA GLN A 26 4.860 -11.188 -1.676 1.00 0.00 C ATOM 338 C GLN A 26 3.675 -11.862 -0.992 1.00 0.00 C ATOM 339 O GLN A 26 2.575 -11.312 -0.948 1.00 0.00 O ATOM 340 CB GLN A 26 5.008 -11.716 -3.104 1.00 0.00 C ATOM 341 CG GLN A 26 3.800 -11.436 -3.985 1.00 0.00 C ATOM 342 CD GLN A 26 3.787 -10.020 -4.524 1.00 0.00 C ATOM 343 OE1 GLN A 26 3.155 -9.131 -3.951 1.00 0.00 O ATOM 344 NE2 GLN A 26 4.485 -9.801 -5.632 1.00 0.00 N ATOM 0 H GLN A 26 6.744 -12.055 -1.367 1.00 0.00 H new ATOM 0 HA GLN A 26 4.673 -10.115 -1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.891 -11.267 -3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.180 -12.792 -3.069 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.793 -12.138 -4.819 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.889 -11.611 -3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.994 -10.567 -6.074 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.512 -8.867 -6.041 1.00 0.00 H new ATOM 353 N HIS A 27 3.908 -13.058 -0.460 1.00 0.00 N ATOM 354 CA HIS A 27 2.859 -13.808 0.222 1.00 0.00 C ATOM 355 C HIS A 27 2.229 -12.973 1.333 1.00 0.00 C ATOM 356 O HIS A 27 1.015 -13.004 1.533 1.00 0.00 O ATOM 357 CB HIS A 27 3.425 -15.105 0.801 1.00 0.00 C ATOM 358 CG HIS A 27 2.433 -15.884 1.608 1.00 0.00 C ATOM 359 ND1 HIS A 27 1.727 -16.955 1.102 1.00 0.00 N ATOM 360 CD2 HIS A 27 2.031 -15.743 2.893 1.00 0.00 C ATOM 361 CE1 HIS A 27 0.932 -17.439 2.041 1.00 0.00 C ATOM 362 NE2 HIS A 27 1.098 -16.721 3.137 1.00 0.00 N ATOM 0 H HIS A 27 4.813 -13.528 -0.488 1.00 0.00 H new ATOM 0 HA HIS A 27 2.087 -14.051 -0.508 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.787 -15.730 -0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.285 -14.869 1.428 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.379 -15.000 3.595 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.261 -18.278 1.931 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.612 -16.869 4.021 1.00 0.00 H new ATOM 371 N ASP A 28 3.062 -12.230 2.052 1.00 0.00 N ATOM 372 CA ASP A 28 2.587 -11.387 3.143 1.00 0.00 C ATOM 373 C ASP A 28 2.033 -10.069 2.609 1.00 0.00 C ATOM 374 O ASP A 28 1.014 -9.571 3.090 1.00 0.00 O ATOM 375 CB ASP A 28 3.718 -11.114 4.136 1.00 0.00 C ATOM 376 CG ASP A 28 3.205 -10.841 5.536 1.00 0.00 C ATOM 377 OD1 ASP A 28 2.888 -9.670 5.834 1.00 0.00 O ATOM 378 OD2 ASP A 28 3.121 -11.798 6.334 1.00 0.00 O ATOM 0 H ASP A 28 4.070 -12.194 1.899 1.00 0.00 H new ATOM 0 HA ASP A 28 1.785 -11.917 3.656 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.392 -11.971 4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.301 -10.259 3.793 1.00 0.00 H new ATOM 383 N LEU A 29 2.711 -9.508 1.614 1.00 0.00 N ATOM 384 CA LEU A 29 2.288 -8.247 1.015 1.00 0.00 C ATOM 385 C LEU A 29 0.874 -8.357 0.456 1.00 0.00 C ATOM 386 O LEU A 29 0.014 -7.526 0.746 1.00 0.00 O ATOM 387 CB LEU A 29 3.257 -7.837 -0.095 1.00 0.00 C ATOM 388 CG LEU A 29 3.002 -6.473 -0.738 1.00 0.00 C ATOM 389 CD1 LEU A 29 3.075 -5.369 0.305 1.00 0.00 C ATOM 390 CD2 LEU A 29 4.000 -6.217 -1.859 1.00 0.00 C ATOM 0 H LEU A 29 3.556 -9.906 1.205 1.00 0.00 H new ATOM 0 HA LEU A 29 2.293 -7.484 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.268 -7.841 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.225 -8.596 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 29 1.999 -6.476 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.891 -4.406 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.322 -5.544 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.065 -5.365 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.804 -5.242 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.013 -6.234 -1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.899 -6.991 -2.620 1.00 0.00 H new ATOM 402 N ASP A 30 0.639 -9.390 -0.346 1.00 0.00 N ATOM 403 CA ASP A 30 -0.672 -9.612 -0.944 1.00 0.00 C ATOM 404 C ASP A 30 -1.783 -9.348 0.068 1.00 0.00 C ATOM 405 O ASP A 30 -2.778 -8.693 -0.242 1.00 0.00 O ATOM 406 CB ASP A 30 -0.779 -11.042 -1.475 1.00 0.00 C ATOM 407 CG ASP A 30 -1.859 -11.189 -2.529 1.00 0.00 C ATOM 408 OD1 ASP A 30 -2.190 -10.178 -3.185 1.00 0.00 O ATOM 409 OD2 ASP A 30 -2.373 -12.314 -2.699 1.00 0.00 O ATOM 0 H ASP A 30 1.340 -10.087 -0.597 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.788 -8.915 -1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.180 -11.342 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.989 -11.719 -0.647 1.00 0.00 H new ATOM 414 N THR A 31 -1.606 -9.863 1.281 1.00 0.00 N ATOM 415 CA THR A 31 -2.593 -9.685 2.339 1.00 0.00 C ATOM 416 C THR A 31 -2.624 -8.241 2.825 1.00 0.00 C ATOM 417 O THR A 31 -3.682 -7.613 2.873 1.00 0.00 O ATOM 418 CB THR A 31 -2.307 -10.611 3.536 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.187 -11.967 3.089 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.413 -10.510 4.575 1.00 0.00 C ATOM 0 H THR A 31 -0.788 -10.407 1.555 1.00 0.00 H new ATOM 0 HA THR A 31 -3.562 -9.943 1.913 1.00 0.00 H new ATOM 0 HB THR A 31 -1.370 -10.296 3.995 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.003 -12.549 3.856 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.189 -11.173 5.411 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.482 -9.483 4.935 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.362 -10.801 4.125 1.00 0.00 H new ATOM 428 N LYS A 32 -1.456 -7.717 3.183 1.00 0.00 N ATOM 429 CA LYS A 32 -1.348 -6.345 3.664 1.00 0.00 C ATOM 430 C LYS A 32 -2.240 -5.411 2.851 1.00 0.00 C ATOM 431 O LYS A 32 -2.988 -4.609 3.410 1.00 0.00 O ATOM 432 CB LYS A 32 0.105 -5.870 3.592 1.00 0.00 C ATOM 433 CG LYS A 32 1.046 -6.654 4.490 1.00 0.00 C ATOM 434 CD LYS A 32 1.116 -6.054 5.884 1.00 0.00 C ATOM 435 CE LYS A 32 1.896 -6.947 6.837 1.00 0.00 C ATOM 436 NZ LYS A 32 1.129 -8.169 7.206 1.00 0.00 N ATOM 0 H LYS A 32 -0.571 -8.222 3.149 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.680 -6.324 4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.453 -5.945 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.148 -4.816 3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.710 -7.689 4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.043 -6.669 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.588 -5.072 5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.107 -5.904 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.839 -7.236 6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.143 -6.387 7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.985 -8.191 8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.206 -8.157 6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.660 -9.014 6.913 1.00 0.00 H new ATOM 450 N SER A 33 -2.156 -5.523 1.529 1.00 0.00 N ATOM 451 CA SER A 33 -2.953 -4.687 0.639 1.00 0.00 C ATOM 452 C SER A 33 -4.444 -4.916 0.870 1.00 0.00 C ATOM 453 O SER A 33 -5.192 -3.979 1.150 1.00 0.00 O ATOM 454 CB SER A 33 -2.601 -4.979 -0.821 1.00 0.00 C ATOM 455 OG SER A 33 -1.273 -4.582 -1.115 1.00 0.00 O ATOM 0 H SER A 33 -1.544 -6.184 1.051 1.00 0.00 H new ATOM 0 HA SER A 33 -2.724 -3.644 0.859 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.718 -6.044 -1.020 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.295 -4.454 -1.478 1.00 0.00 H new ATOM 0 HG SER A 33 -1.018 -4.922 -1.998 1.00 0.00 H new ATOM 461 N LYS A 34 -4.869 -6.169 0.752 1.00 0.00 N ATOM 462 CA LYS A 34 -6.269 -6.524 0.949 1.00 0.00 C ATOM 463 C LYS A 34 -6.859 -5.773 2.138 1.00 0.00 C ATOM 464 O LYS A 34 -7.904 -5.133 2.023 1.00 0.00 O ATOM 465 CB LYS A 34 -6.409 -8.033 1.165 1.00 0.00 C ATOM 466 CG LYS A 34 -6.050 -8.858 -0.059 1.00 0.00 C ATOM 467 CD LYS A 34 -6.051 -10.345 0.252 1.00 0.00 C ATOM 468 CE LYS A 34 -6.190 -11.179 -1.013 1.00 0.00 C ATOM 469 NZ LYS A 34 -7.525 -11.003 -1.649 1.00 0.00 N ATOM 0 H LYS A 34 -4.263 -6.956 0.521 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.819 -6.239 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.770 -8.334 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.436 -8.256 1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.761 -8.652 -0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.066 -8.562 -0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.127 -10.611 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.871 -10.575 0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.410 -10.898 -1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.038 -12.231 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.730 -11.821 -2.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.254 -10.928 -0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.524 -10.136 -2.224 1.00 0.00 H new ATOM 483 N GLN A 35 -6.182 -5.855 3.279 1.00 0.00 N ATOM 484 CA GLN A 35 -6.640 -5.181 4.488 1.00 0.00 C ATOM 485 C GLN A 35 -6.847 -3.691 4.237 1.00 0.00 C ATOM 486 O GLN A 35 -7.876 -3.127 4.608 1.00 0.00 O ATOM 487 CB GLN A 35 -5.633 -5.384 5.622 1.00 0.00 C ATOM 488 CG GLN A 35 -6.241 -5.238 7.008 1.00 0.00 C ATOM 489 CD GLN A 35 -7.117 -6.415 7.388 1.00 0.00 C ATOM 490 OE1 GLN A 35 -7.094 -7.458 6.734 1.00 0.00 O ATOM 491 NE2 GLN A 35 -7.897 -6.255 8.451 1.00 0.00 N ATOM 0 H GLN A 35 -5.315 -6.381 3.391 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.596 -5.618 4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.191 -6.376 5.531 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.823 -4.663 5.511 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.442 -5.133 7.742 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.832 -4.323 7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.885 -5.374 8.964 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.508 -7.013 8.754 1.00 0.00 H new ATOM 500 N ILE A 36 -5.863 -3.061 3.605 1.00 0.00 N ATOM 501 CA ILE A 36 -5.938 -1.637 3.304 1.00 0.00 C ATOM 502 C ILE A 36 -7.153 -1.321 2.438 1.00 0.00 C ATOM 503 O ILE A 36 -7.895 -0.379 2.713 1.00 0.00 O ATOM 504 CB ILE A 36 -4.668 -1.145 2.584 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.426 -1.470 3.417 1.00 0.00 C ATOM 506 CG2 ILE A 36 -4.756 0.350 2.316 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.134 -1.379 2.636 1.00 0.00 C ATOM 0 H ILE A 36 -5.005 -3.514 3.291 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.029 -1.118 4.258 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.587 -1.661 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.378 -0.786 4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.525 -2.476 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.851 0.682 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.623 0.557 1.688 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.857 0.884 3.261 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.296 -1.622 3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.161 -2.083 1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.012 -0.367 2.251 1.00 0.00 H new ATOM 519 N GLN A 37 -7.350 -2.117 1.392 1.00 0.00 N ATOM 520 CA GLN A 37 -8.476 -1.923 0.486 1.00 0.00 C ATOM 521 C GLN A 37 -9.778 -1.762 1.264 1.00 0.00 C ATOM 522 O GLN A 37 -10.496 -0.777 1.092 1.00 0.00 O ATOM 523 CB GLN A 37 -8.589 -3.103 -0.481 1.00 0.00 C ATOM 524 CG GLN A 37 -9.403 -2.793 -1.727 1.00 0.00 C ATOM 525 CD GLN A 37 -9.421 -3.943 -2.714 1.00 0.00 C ATOM 526 OE1 GLN A 37 -9.501 -5.108 -2.326 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.346 -3.620 -4.000 1.00 0.00 N ATOM 0 H GLN A 37 -6.745 -2.902 1.151 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.299 -1.011 -0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.588 -3.415 -0.779 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.043 -3.946 0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.426 -2.552 -1.437 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.993 -1.908 -2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.281 -2.640 -4.277 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.353 -4.351 -4.711 1.00 0.00 H new ATOM 536 N GLN A 38 -10.076 -2.735 2.119 1.00 0.00 N ATOM 537 CA GLN A 38 -11.293 -2.700 2.922 1.00 0.00 C ATOM 538 C GLN A 38 -11.518 -1.311 3.508 1.00 0.00 C ATOM 539 O GLN A 38 -12.639 -0.803 3.513 1.00 0.00 O ATOM 540 CB GLN A 38 -11.217 -3.735 4.045 1.00 0.00 C ATOM 541 CG GLN A 38 -11.303 -5.172 3.556 1.00 0.00 C ATOM 542 CD GLN A 38 -11.498 -6.163 4.687 1.00 0.00 C ATOM 543 OE1 GLN A 38 -12.627 -6.507 5.038 1.00 0.00 O ATOM 544 NE2 GLN A 38 -10.396 -6.627 5.263 1.00 0.00 N ATOM 0 H GLN A 38 -9.492 -3.557 2.274 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.135 -2.940 2.273 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.282 -3.601 4.589 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.026 -3.552 4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.130 -5.263 2.852 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.392 -5.422 3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.481 -6.314 4.939 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.464 -7.297 6.029 1.00 0.00 H new ATOM 553 N TRP A 39 -10.446 -0.702 4.002 1.00 0.00 N ATOM 554 CA TRP A 39 -10.528 0.630 4.592 1.00 0.00 C ATOM 555 C TRP A 39 -10.871 1.674 3.535 1.00 0.00 C ATOM 556 O TRP A 39 -11.820 2.442 3.694 1.00 0.00 O ATOM 557 CB TRP A 39 -9.206 0.990 5.272 1.00 0.00 C ATOM 558 CG TRP A 39 -8.944 0.199 6.518 1.00 0.00 C ATOM 559 CD1 TRP A 39 -9.869 -0.228 7.427 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.672 -0.257 6.992 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.248 -0.922 8.438 1.00 0.00 N ATOM 562 CE2 TRP A 39 -7.901 -0.955 8.194 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.363 -0.146 6.517 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -6.869 -1.536 8.925 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.339 -0.723 7.244 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.596 -1.412 8.436 1.00 0.00 C ATOM 0 H TRP A 39 -9.511 -1.109 4.006 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.323 0.622 5.338 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.389 0.829 4.569 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.210 2.052 5.518 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -10.932 -0.047 7.361 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.715 -1.344 9.240 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.155 0.381 5.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.065 -2.066 9.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.323 -0.641 6.887 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.774 -1.854 8.980 1.00 0.00 H new ATOM 577 N ILE A 40 -10.094 1.696 2.457 1.00 0.00 N ATOM 578 CA ILE A 40 -10.318 2.645 1.374 1.00 0.00 C ATOM 579 C ILE A 40 -11.788 2.682 0.971 1.00 0.00 C ATOM 580 O ILE A 40 -12.344 3.749 0.715 1.00 0.00 O ATOM 581 CB ILE A 40 -9.467 2.300 0.138 1.00 0.00 C ATOM 582 CG1 ILE A 40 -7.982 2.519 0.436 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.902 3.137 -1.055 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.661 3.921 0.906 1.00 0.00 C ATOM 0 H ILE A 40 -9.304 1.067 2.311 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.021 3.625 1.747 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.618 1.248 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.664 1.807 1.198 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.404 2.304 -0.463 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.291 2.882 -1.921 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.950 2.936 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.777 4.195 -0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.591 4.004 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.948 4.637 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.212 4.133 1.822 1.00 0.00 H new ATOM 596 N GLU A 41 -12.412 1.509 0.919 1.00 0.00 N ATOM 597 CA GLU A 41 -13.818 1.408 0.548 1.00 0.00 C ATOM 598 C GLU A 41 -14.664 2.394 1.349 1.00 0.00 C ATOM 599 O GLU A 41 -15.502 3.106 0.794 1.00 0.00 O ATOM 600 CB GLU A 41 -14.327 -0.017 0.772 1.00 0.00 C ATOM 601 CG GLU A 41 -13.741 -1.032 -0.195 1.00 0.00 C ATOM 602 CD GLU A 41 -14.498 -2.346 -0.192 1.00 0.00 C ATOM 603 OE1 GLU A 41 -15.260 -2.590 0.767 1.00 0.00 O ATOM 604 OE2 GLU A 41 -14.328 -3.130 -1.149 1.00 0.00 O ATOM 0 H GLU A 41 -11.966 0.616 1.129 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.907 1.655 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.092 -0.322 1.792 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.413 -0.025 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.749 -0.615 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.699 -1.217 0.066 1.00 0.00 H new ATOM 611 N LYS A 42 -14.440 2.429 2.658 1.00 0.00 N ATOM 612 CA LYS A 42 -15.179 3.327 3.538 1.00 0.00 C ATOM 613 C LYS A 42 -14.493 4.686 3.631 1.00 0.00 C ATOM 614 O LYS A 42 -14.600 5.379 4.642 1.00 0.00 O ATOM 615 CB LYS A 42 -15.310 2.713 4.934 1.00 0.00 C ATOM 616 CG LYS A 42 -16.267 1.536 4.994 1.00 0.00 C ATOM 617 CD LYS A 42 -16.054 0.707 6.249 1.00 0.00 C ATOM 618 CE LYS A 42 -16.848 -0.590 6.202 1.00 0.00 C ATOM 619 NZ LYS A 42 -16.745 -1.350 7.478 1.00 0.00 N ATOM 0 H LYS A 42 -13.752 1.845 3.134 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.174 3.471 3.116 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.326 2.388 5.272 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.648 3.481 5.629 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.294 1.900 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.128 0.908 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.994 0.482 6.362 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.352 1.286 7.123 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.895 -0.368 5.995 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.485 -1.208 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.300 -2.227 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.749 -1.585 7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.115 -0.770 8.258 1.00 0.00 H new ATOM 633 N LYS A 43 -13.788 5.061 2.568 1.00 0.00 N ATOM 634 CA LYS A 43 -13.086 6.339 2.528 1.00 0.00 C ATOM 635 C LYS A 43 -12.237 6.532 3.780 1.00 0.00 C ATOM 636 O LYS A 43 -12.201 7.620 4.355 1.00 0.00 O ATOM 637 CB LYS A 43 -14.086 7.490 2.394 1.00 0.00 C ATOM 638 CG LYS A 43 -14.872 7.464 1.094 1.00 0.00 C ATOM 639 CD LYS A 43 -14.164 8.243 -0.001 1.00 0.00 C ATOM 640 CE LYS A 43 -14.476 9.730 0.082 1.00 0.00 C ATOM 641 NZ LYS A 43 -15.685 10.088 -0.710 1.00 0.00 N ATOM 0 H LYS A 43 -13.688 4.498 1.723 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.427 6.336 1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.783 7.454 3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.550 8.436 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.014 6.432 0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.864 7.886 1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.088 8.091 0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.467 7.860 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.628 10.012 1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.622 10.301 -0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.864 11.109 -0.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.531 9.843 -1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.506 9.562 -0.347 1.00 0.00 H new ATOM 655 N TYR A 44 -11.554 5.472 4.196 1.00 0.00 N ATOM 656 CA TYR A 44 -10.705 5.525 5.380 1.00 0.00 C ATOM 657 C TYR A 44 -9.267 5.868 5.004 1.00 0.00 C ATOM 658 O TYR A 44 -8.628 5.156 4.228 1.00 0.00 O ATOM 659 CB TYR A 44 -10.745 4.189 6.123 1.00 0.00 C ATOM 660 CG TYR A 44 -11.939 4.041 7.039 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.313 5.068 7.896 1.00 0.00 C ATOM 662 CD2 TYR A 44 -12.691 2.873 7.049 1.00 0.00 C ATOM 663 CE1 TYR A 44 -13.403 4.937 8.735 1.00 0.00 C ATOM 664 CE2 TYR A 44 -13.783 2.734 7.883 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.135 3.769 8.725 1.00 0.00 C ATOM 666 OH TYR A 44 -15.221 3.633 9.559 1.00 0.00 O ATOM 0 H TYR A 44 -11.572 4.565 3.730 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.087 6.308 6.035 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.754 3.378 5.395 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.832 4.081 6.709 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -11.742 5.985 7.907 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.417 2.060 6.393 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -13.680 5.746 9.395 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.358 1.820 7.876 1.00 0.00 H new ATOM 0 HH TYR A 44 -15.626 2.751 9.427 1.00 0.00 H new ATOM 676 N HIS A 45 -8.762 6.965 5.562 1.00 0.00 N ATOM 677 CA HIS A 45 -7.398 7.403 5.287 1.00 0.00 C ATOM 678 C HIS A 45 -6.385 6.413 5.854 1.00 0.00 C ATOM 679 O HIS A 45 -6.139 6.382 7.060 1.00 0.00 O ATOM 680 CB HIS A 45 -7.158 8.792 5.880 1.00 0.00 C ATOM 681 CG HIS A 45 -7.583 9.910 4.978 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.749 10.476 4.037 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.763 10.565 4.876 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.397 11.432 3.396 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.622 11.506 3.887 1.00 0.00 N ATOM 0 H HIS A 45 -9.276 7.566 6.206 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.268 7.450 4.206 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.697 8.873 6.824 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.098 8.903 6.107 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.650 10.381 5.464 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.995 12.048 2.606 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.345 12.157 3.581 1.00 0.00 H new ATOM 694 N VAL A 46 -5.800 5.605 4.975 1.00 0.00 N ATOM 695 CA VAL A 46 -4.813 4.614 5.387 1.00 0.00 C ATOM 696 C VAL A 46 -3.396 5.160 5.252 1.00 0.00 C ATOM 697 O VAL A 46 -2.938 5.457 4.149 1.00 0.00 O ATOM 698 CB VAL A 46 -4.934 3.322 4.558 1.00 0.00 C ATOM 699 CG1 VAL A 46 -3.905 2.298 5.011 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.343 2.755 4.659 1.00 0.00 C ATOM 0 H VAL A 46 -5.993 5.617 3.973 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.013 4.385 6.434 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.737 3.561 3.513 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.006 1.392 4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.903 2.708 4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.067 2.060 6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.411 1.842 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.571 2.530 5.701 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.057 3.486 4.281 1.00 0.00 H new ATOM 710 N GLN A 47 -2.707 5.290 6.381 1.00 0.00 N ATOM 711 CA GLN A 47 -1.341 5.801 6.388 1.00 0.00 C ATOM 712 C GLN A 47 -0.332 4.658 6.350 1.00 0.00 C ATOM 713 O GLN A 47 -0.103 3.984 7.354 1.00 0.00 O ATOM 714 CB GLN A 47 -1.104 6.665 7.628 1.00 0.00 C ATOM 715 CG GLN A 47 0.258 7.339 7.648 1.00 0.00 C ATOM 716 CD GLN A 47 0.639 7.845 9.026 1.00 0.00 C ATOM 717 OE1 GLN A 47 0.940 7.061 9.926 1.00 0.00 O ATOM 718 NE2 GLN A 47 0.628 9.162 9.197 1.00 0.00 N ATOM 0 H GLN A 47 -3.072 5.049 7.302 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.204 6.412 5.496 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.879 7.429 7.682 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.206 6.044 8.518 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.013 6.633 7.303 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.257 8.173 6.946 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.372 9.775 8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.876 9.561 10.103 1.00 0.00 H new ATOM 727 N VAL A 48 0.267 4.444 5.183 1.00 0.00 N ATOM 728 CA VAL A 48 1.253 3.383 5.013 1.00 0.00 C ATOM 729 C VAL A 48 2.656 3.878 5.344 1.00 0.00 C ATOM 730 O VAL A 48 3.087 4.926 4.862 1.00 0.00 O ATOM 731 CB VAL A 48 1.241 2.830 3.575 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.306 1.758 3.406 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.136 2.286 3.226 1.00 0.00 C ATOM 0 H VAL A 48 0.087 4.991 4.341 1.00 0.00 H new ATOM 0 HA VAL A 48 0.981 2.585 5.703 1.00 0.00 H new ATOM 0 HB VAL A 48 1.469 3.645 2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.282 1.379 2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.288 2.185 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.113 0.940 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.127 1.899 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.396 1.483 3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.873 3.085 3.304 1.00 0.00 H new ATOM 743 N THR A 49 3.368 3.116 6.169 1.00 0.00 N ATOM 744 CA THR A 49 4.723 3.477 6.565 1.00 0.00 C ATOM 745 C THR A 49 5.660 2.278 6.475 1.00 0.00 C ATOM 746 O THR A 49 5.617 1.380 7.316 1.00 0.00 O ATOM 747 CB THR A 49 4.759 4.035 8.001 1.00 0.00 C ATOM 748 OG1 THR A 49 3.896 5.173 8.106 1.00 0.00 O ATOM 749 CG2 THR A 49 6.175 4.428 8.393 1.00 0.00 C ATOM 0 H THR A 49 3.028 2.245 6.576 1.00 0.00 H new ATOM 0 HA THR A 49 5.059 4.250 5.874 1.00 0.00 H new ATOM 0 HB THR A 49 4.414 3.255 8.680 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.923 5.521 9.022 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.176 4.819 9.410 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.823 3.553 8.340 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.542 5.194 7.710 1.00 0.00 H new ATOM 757 N ILE A 50 6.506 2.270 5.450 1.00 0.00 N ATOM 758 CA ILE A 50 7.454 1.182 5.251 1.00 0.00 C ATOM 759 C ILE A 50 8.696 1.370 6.117 1.00 0.00 C ATOM 760 O ILE A 50 9.422 2.354 5.975 1.00 0.00 O ATOM 761 CB ILE A 50 7.883 1.070 3.776 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.665 0.813 2.887 1.00 0.00 C ATOM 763 CG2 ILE A 50 8.912 -0.037 3.606 1.00 0.00 C ATOM 764 CD1 ILE A 50 6.960 0.933 1.408 1.00 0.00 C ATOM 0 H ILE A 50 6.554 3.005 4.745 1.00 0.00 H new ATOM 0 HA ILE A 50 6.945 0.263 5.543 1.00 0.00 H new ATOM 0 HB ILE A 50 8.339 2.013 3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.280 -0.186 3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.877 1.519 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.205 -0.104 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.789 0.185 4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.481 -0.986 3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.051 0.738 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.317 1.939 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.725 0.208 1.130 1.00 0.00 H new ATOM 776 N LYS A 51 8.935 0.418 7.013 1.00 0.00 N ATOM 777 CA LYS A 51 10.090 0.476 7.901 1.00 0.00 C ATOM 778 C LYS A 51 11.326 -0.111 7.225 1.00 0.00 C ATOM 779 O LYS A 51 11.312 -1.256 6.772 1.00 0.00 O ATOM 780 CB LYS A 51 9.800 -0.279 9.200 1.00 0.00 C ATOM 781 CG LYS A 51 8.634 0.293 9.988 1.00 0.00 C ATOM 782 CD LYS A 51 8.925 1.706 10.466 1.00 0.00 C ATOM 783 CE LYS A 51 8.043 2.087 11.646 1.00 0.00 C ATOM 784 NZ LYS A 51 8.411 1.337 12.878 1.00 0.00 N ATOM 0 H LYS A 51 8.344 -0.403 7.143 1.00 0.00 H new ATOM 0 HA LYS A 51 10.286 1.523 8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.592 -1.323 8.965 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.692 -0.265 9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.739 0.295 9.366 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.424 -0.346 10.845 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.973 1.786 10.753 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.764 2.408 9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.129 3.157 11.833 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.000 1.890 11.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.046 1.839 13.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.998 0.383 12.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.446 1.264 12.944 1.00 0.00 H new ATOM 978 N THR A 63 11.740 0.159 -1.738 1.00 0.00 N ATOM 979 CA THR A 63 10.865 0.775 -0.748 1.00 0.00 C ATOM 980 C THR A 63 9.727 1.537 -1.418 1.00 0.00 C ATOM 981 O THR A 63 8.557 1.333 -1.095 1.00 0.00 O ATOM 982 CB THR A 63 11.643 1.738 0.168 1.00 0.00 C ATOM 983 OG1 THR A 63 12.735 1.049 0.787 1.00 0.00 O ATOM 984 CG2 THR A 63 10.733 2.321 1.238 1.00 0.00 C ATOM 0 HA THR A 63 10.452 -0.034 -0.145 1.00 0.00 H new ATOM 0 HB THR A 63 12.028 2.555 -0.443 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.058 0.344 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.305 2.998 1.873 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.919 2.869 0.764 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.322 1.514 1.845 1.00 0.00 H new ATOM 992 N GLU A 64 10.078 2.415 -2.352 1.00 0.00 N ATOM 993 CA GLU A 64 9.085 3.207 -3.067 1.00 0.00 C ATOM 994 C GLU A 64 8.288 2.337 -4.035 1.00 0.00 C ATOM 995 O GLU A 64 7.061 2.413 -4.088 1.00 0.00 O ATOM 996 CB GLU A 64 9.762 4.348 -3.830 1.00 0.00 C ATOM 997 CG GLU A 64 10.158 5.519 -2.946 1.00 0.00 C ATOM 998 CD GLU A 64 8.961 6.214 -2.327 1.00 0.00 C ATOM 999 OE1 GLU A 64 7.896 6.255 -2.979 1.00 0.00 O ATOM 1000 OE2 GLU A 64 9.088 6.716 -1.190 1.00 0.00 O ATOM 0 H GLU A 64 11.042 2.596 -2.631 1.00 0.00 H new ATOM 0 HA GLU A 64 8.398 3.627 -2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.651 3.963 -4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.088 4.703 -4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.817 5.164 -2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.726 6.238 -3.536 1.00 0.00 H new ATOM 1007 N GLU A 65 8.996 1.511 -4.799 1.00 0.00 N ATOM 1008 CA GLU A 65 8.355 0.627 -5.765 1.00 0.00 C ATOM 1009 C GLU A 65 7.169 -0.098 -5.137 1.00 0.00 C ATOM 1010 O GLU A 65 6.124 -0.264 -5.768 1.00 0.00 O ATOM 1011 CB GLU A 65 9.362 -0.392 -6.304 1.00 0.00 C ATOM 1012 CG GLU A 65 10.252 0.157 -7.407 1.00 0.00 C ATOM 1013 CD GLU A 65 11.518 -0.657 -7.594 1.00 0.00 C ATOM 1014 OE1 GLU A 65 11.515 -1.850 -7.226 1.00 0.00 O ATOM 1015 OE2 GLU A 65 12.511 -0.100 -8.107 1.00 0.00 O ATOM 0 H GLU A 65 10.013 1.436 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 65 7.989 1.238 -6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.988 -0.741 -5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.821 -1.259 -6.683 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.694 0.175 -8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.518 1.188 -7.175 1.00 0.00 H new ATOM 1022 N ILE A 66 7.338 -0.528 -3.891 1.00 0.00 N ATOM 1023 CA ILE A 66 6.282 -1.234 -3.177 1.00 0.00 C ATOM 1024 C ILE A 66 4.972 -0.455 -3.222 1.00 0.00 C ATOM 1025 O ILE A 66 3.934 -0.987 -3.618 1.00 0.00 O ATOM 1026 CB ILE A 66 6.666 -1.485 -1.707 1.00 0.00 C ATOM 1027 CG1 ILE A 66 7.756 -2.555 -1.618 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.443 -1.899 -0.903 1.00 0.00 C ATOM 1029 CD1 ILE A 66 8.118 -2.932 -0.198 1.00 0.00 C ATOM 0 H ILE A 66 8.196 -0.400 -3.355 1.00 0.00 H new ATOM 0 HA ILE A 66 6.150 -2.193 -3.678 1.00 0.00 H new ATOM 0 HB ILE A 66 7.057 -0.559 -1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.422 -3.447 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.649 -2.196 -2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.731 -2.073 0.134 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.695 -1.107 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.025 -2.814 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.896 -3.695 -0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.482 -2.051 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.236 -3.322 0.311 1.00 0.00 H new ATOM 1041 N PHE A 67 5.027 0.809 -2.816 1.00 0.00 N ATOM 1042 CA PHE A 67 3.845 1.663 -2.811 1.00 0.00 C ATOM 1043 C PHE A 67 2.975 1.394 -4.035 1.00 0.00 C ATOM 1044 O PHE A 67 1.748 1.450 -3.962 1.00 0.00 O ATOM 1045 CB PHE A 67 4.254 3.137 -2.775 1.00 0.00 C ATOM 1046 CG PHE A 67 4.805 3.574 -1.448 1.00 0.00 C ATOM 1047 CD1 PHE A 67 4.136 3.274 -0.273 1.00 0.00 C ATOM 1048 CD2 PHE A 67 5.992 4.285 -1.376 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.640 3.676 0.950 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.502 4.689 -0.156 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.825 4.383 1.008 1.00 0.00 C ATOM 0 H PHE A 67 5.878 1.265 -2.486 1.00 0.00 H new ATOM 0 HA PHE A 67 3.265 1.433 -1.917 1.00 0.00 H new ATOM 0 HB2 PHE A 67 5.002 3.317 -3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.388 3.752 -3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.210 2.720 -0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.525 4.527 -2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.108 3.437 1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.428 5.243 -0.113 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.222 4.696 1.962 1.00 0.00 H new ATOM 1061 N ASN A 68 3.620 1.104 -5.160 1.00 0.00 N ATOM 1062 CA ASN A 68 2.906 0.828 -6.402 1.00 0.00 C ATOM 1063 C ASN A 68 2.333 -0.586 -6.397 1.00 0.00 C ATOM 1064 O ASN A 68 1.203 -0.809 -6.830 1.00 0.00 O ATOM 1065 CB ASN A 68 3.838 1.008 -7.601 1.00 0.00 C ATOM 1066 CG ASN A 68 4.091 2.469 -7.922 1.00 0.00 C ATOM 1067 OD1 ASN A 68 3.220 3.160 -8.449 1.00 0.00 O ATOM 1068 ND2 ASN A 68 5.290 2.944 -7.605 1.00 0.00 N ATOM 0 H ASN A 68 4.636 1.054 -5.238 1.00 0.00 H new ATOM 0 HA ASN A 68 2.081 1.535 -6.482 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.788 0.514 -7.397 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.404 0.517 -8.472 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.520 3.919 -7.797 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.981 2.334 -7.169 1.00 0.00 H new ATOM 1075 N GLN A 69 3.120 -1.536 -5.903 1.00 0.00 N ATOM 1076 CA GLN A 69 2.690 -2.928 -5.841 1.00 0.00 C ATOM 1077 C GLN A 69 1.363 -3.056 -5.101 1.00 0.00 C ATOM 1078 O GLN A 69 0.571 -3.957 -5.379 1.00 0.00 O ATOM 1079 CB GLN A 69 3.756 -3.783 -5.153 1.00 0.00 C ATOM 1080 CG GLN A 69 5.104 -3.758 -5.857 1.00 0.00 C ATOM 1081 CD GLN A 69 5.881 -5.047 -5.674 1.00 0.00 C ATOM 1082 OE1 GLN A 69 6.062 -5.523 -4.553 1.00 0.00 O ATOM 1083 NE2 GLN A 69 6.346 -5.620 -6.778 1.00 0.00 N ATOM 0 H GLN A 69 4.058 -1.368 -5.540 1.00 0.00 H new ATOM 0 HA GLN A 69 2.551 -3.285 -6.862 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.884 -3.434 -4.128 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.404 -4.813 -5.097 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.951 -3.578 -6.921 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.694 -2.925 -5.475 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.173 -5.191 -7.687 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.876 -6.489 -6.717 1.00 0.00 H new ATOM 1092 N ILE A 70 1.127 -2.150 -4.159 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.105 -2.162 -3.380 1.00 0.00 C ATOM 1094 C ILE A 70 -1.255 -1.534 -4.160 1.00 0.00 C ATOM 1095 O ILE A 70 -2.407 -1.949 -4.031 1.00 0.00 O ATOM 1096 CB ILE A 70 0.065 -1.411 -2.046 1.00 0.00 C ATOM 1097 CG1 ILE A 70 1.131 -2.093 -1.185 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.261 -1.344 -1.303 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.677 -1.207 -0.087 1.00 0.00 C ATOM 0 H ILE A 70 1.772 -1.398 -3.916 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.337 -3.207 -3.173 1.00 0.00 H new ATOM 0 HB ILE A 70 0.392 -0.393 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.706 -2.992 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.953 -2.414 -1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.124 -0.810 -0.362 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.995 -0.819 -1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.615 -2.354 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.427 -1.755 0.483 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.132 -0.320 -0.528 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.865 -0.907 0.576 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.934 -0.532 -4.972 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.941 0.152 -5.776 1.00 0.00 C ATOM 1113 C LEU A 71 -2.420 -0.735 -6.920 1.00 0.00 C ATOM 1114 O LEU A 71 -3.550 -0.602 -7.389 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.373 1.459 -6.333 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.311 2.270 -7.228 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -3.225 3.149 -6.388 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.513 3.115 -8.211 1.00 0.00 C ATOM 0 H LEU A 71 0.014 -0.176 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.793 0.376 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.070 2.087 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.472 1.228 -6.900 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.930 1.575 -7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.885 3.718 -7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.823 2.523 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.623 3.836 -5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.197 3.685 -8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.868 3.801 -7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.902 2.465 -8.837 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.554 -1.642 -7.362 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.891 -2.552 -8.450 1.00 0.00 C ATOM 1132 C GLN A 72 -3.135 -3.366 -8.113 1.00 0.00 C ATOM 1133 O GLN A 72 -3.717 -4.021 -8.980 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.717 -3.489 -8.741 1.00 0.00 C ATOM 1135 CG GLN A 72 0.505 -2.779 -9.300 1.00 0.00 C ATOM 1136 CD GLN A 72 0.395 -2.514 -10.789 1.00 0.00 C ATOM 1137 OE1 GLN A 72 0.014 -1.422 -11.211 1.00 0.00 O ATOM 1138 NE2 GLN A 72 0.729 -3.516 -11.595 1.00 0.00 N ATOM 0 H GLN A 72 -0.615 -1.766 -6.984 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.099 -1.955 -9.338 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.438 -4.005 -7.822 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.039 -4.252 -9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.643 -1.833 -8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.392 -3.383 -9.107 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.040 -4.405 -11.202 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.675 -3.397 -12.607 1.00 0.00 H new ATOM 1147 N THR A 73 -3.541 -3.323 -6.848 1.00 0.00 N ATOM 1148 CA THR A 73 -4.715 -4.058 -6.395 1.00 0.00 C ATOM 1149 C THR A 73 -5.954 -3.170 -6.400 1.00 0.00 C ATOM 1150 O THR A 73 -7.079 -3.659 -6.495 1.00 0.00 O ATOM 1151 CB THR A 73 -4.511 -4.627 -4.979 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.859 -3.641 -4.000 1.00 0.00 O ATOM 1153 CG2 THR A 73 -3.068 -5.064 -4.774 1.00 0.00 C ATOM 0 H THR A 73 -3.073 -2.786 -6.118 1.00 0.00 H new ATOM 0 HA THR A 73 -4.859 -4.884 -7.092 1.00 0.00 H new ATOM 0 HB THR A 73 -5.158 -5.497 -4.864 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.116 -3.011 -3.892 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.948 -5.462 -3.767 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.814 -5.835 -5.502 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.406 -4.208 -4.907 1.00 0.00 H new ATOM 1161 N MET A 74 -5.740 -1.862 -6.296 1.00 0.00 N ATOM 1162 CA MET A 74 -6.841 -0.906 -6.291 1.00 0.00 C ATOM 1163 C MET A 74 -6.566 0.245 -7.253 1.00 0.00 C ATOM 1164 O MET A 74 -6.752 1.417 -6.926 1.00 0.00 O ATOM 1165 CB MET A 74 -7.066 -0.363 -4.878 1.00 0.00 C ATOM 1166 CG MET A 74 -5.789 -0.247 -4.061 1.00 0.00 C ATOM 1167 SD MET A 74 -6.105 0.150 -2.331 1.00 0.00 S ATOM 1168 CE MET A 74 -5.158 -1.130 -1.511 1.00 0.00 C ATOM 0 H MET A 74 -4.815 -1.440 -6.214 1.00 0.00 H new ATOM 0 HA MET A 74 -7.741 -1.424 -6.621 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.535 0.619 -4.945 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.765 -1.015 -4.354 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.238 -1.186 -4.120 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.153 0.524 -4.496 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.879 -0.793 -0.513 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.760 -2.035 -1.433 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.257 -1.342 -2.087 1.00 0.00 H new ATOM 1178 N PRO A 75 -6.114 -0.094 -8.469 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.804 0.897 -9.504 1.00 0.00 C ATOM 1180 C PRO A 75 -7.056 1.574 -10.051 1.00 0.00 C ATOM 1181 O PRO A 75 -6.970 2.529 -10.823 1.00 0.00 O ATOM 1182 CB PRO A 75 -5.123 0.069 -10.596 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.647 -1.312 -10.406 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.869 -1.472 -8.928 1.00 0.00 C ATOM 0 HA PRO A 75 -5.187 1.709 -9.119 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.362 0.450 -11.589 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.038 0.098 -10.496 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.576 -1.456 -10.958 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.938 -2.053 -10.776 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.718 -2.123 -8.717 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.001 -1.911 -8.436 1.00 0.00 H new ATOM 1192 N ASP A 76 -8.218 1.073 -9.647 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.489 1.631 -10.096 1.00 0.00 C ATOM 1194 C ASP A 76 -10.389 1.957 -8.909 1.00 0.00 C ATOM 1195 O ASP A 76 -11.530 2.388 -9.082 1.00 0.00 O ATOM 1196 CB ASP A 76 -10.196 0.652 -11.035 1.00 0.00 C ATOM 1197 CG ASP A 76 -9.734 0.792 -12.472 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -9.396 1.923 -12.880 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -9.710 -0.230 -13.189 1.00 0.00 O ATOM 0 H ASP A 76 -8.307 0.282 -9.010 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.282 2.555 -10.636 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.014 -0.368 -10.696 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.272 0.818 -10.985 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.870 1.748 -7.704 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.627 2.020 -6.488 1.00 0.00 C ATOM 1206 C ILE A 77 -9.843 2.924 -5.543 1.00 0.00 C ATOM 1207 O ILE A 77 -10.417 3.566 -4.663 1.00 0.00 O ATOM 1208 CB ILE A 77 -10.992 0.719 -5.750 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -11.185 0.991 -4.257 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -9.916 -0.334 -5.968 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.621 -0.227 -3.472 1.00 0.00 C ATOM 0 H ILE A 77 -8.928 1.391 -7.543 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.544 2.525 -6.793 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.930 0.340 -6.155 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.250 1.366 -3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.928 1.779 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.189 -1.248 -5.440 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.824 -0.545 -7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.964 0.035 -5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.738 0.040 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.572 -0.590 -3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.868 -1.009 -3.566 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.529 2.972 -5.733 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.666 3.801 -4.900 1.00 0.00 C ATOM 1225 C ALA A 78 -6.613 4.516 -5.741 1.00 0.00 C ATOM 1226 O ALA A 78 -6.321 4.110 -6.866 1.00 0.00 O ATOM 1227 CB ALA A 78 -7.001 2.956 -3.824 1.00 0.00 C ATOM 0 H ALA A 78 -8.038 2.447 -6.457 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.285 4.559 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.360 3.588 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.766 2.497 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.400 2.177 -4.293 1.00 0.00 H new ATOM 1233 N THR A 79 -6.045 5.583 -5.188 1.00 0.00 N ATOM 1234 CA THR A 79 -5.026 6.355 -5.888 1.00 0.00 C ATOM 1235 C THR A 79 -4.035 6.972 -4.908 1.00 0.00 C ATOM 1236 O THR A 79 -4.247 6.946 -3.695 1.00 0.00 O ATOM 1237 CB THR A 79 -5.655 7.476 -6.737 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.674 8.030 -7.621 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.223 8.573 -5.850 1.00 0.00 C ATOM 0 H THR A 79 -6.273 5.932 -4.257 1.00 0.00 H new ATOM 0 HA THR A 79 -4.501 5.662 -6.545 1.00 0.00 H new ATOM 0 HB THR A 79 -6.468 7.046 -7.321 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.082 8.741 -8.158 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.662 9.353 -6.472 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.990 8.154 -5.199 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.425 8.999 -5.242 1.00 0.00 H new ATOM 1247 N PHE A 80 -2.951 7.526 -5.440 1.00 0.00 N ATOM 1248 CA PHE A 80 -1.925 8.149 -4.612 1.00 0.00 C ATOM 1249 C PHE A 80 -2.440 9.446 -3.993 1.00 0.00 C ATOM 1250 O PHE A 80 -2.487 10.485 -4.651 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.671 8.430 -5.442 1.00 0.00 C ATOM 1252 CG PHE A 80 0.335 7.315 -5.404 1.00 0.00 C ATOM 1253 CD1 PHE A 80 1.083 7.077 -4.263 1.00 0.00 C ATOM 1254 CD2 PHE A 80 0.531 6.505 -6.511 1.00 0.00 C ATOM 1255 CE1 PHE A 80 2.009 6.051 -4.225 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.455 5.477 -6.479 1.00 0.00 C ATOM 1257 CZ PHE A 80 2.196 5.251 -5.335 1.00 0.00 C ATOM 0 H PHE A 80 -2.760 7.556 -6.442 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.673 7.458 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.963 8.610 -6.477 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.202 9.344 -5.079 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.941 7.700 -3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -0.044 6.679 -7.408 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.585 5.875 -3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.597 4.851 -7.348 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.920 4.450 -5.309 1.00 0.00 H new ATOM 1267 N SER A 81 -2.826 9.376 -2.723 1.00 0.00 N ATOM 1268 CA SER A 81 -3.341 10.542 -2.015 1.00 0.00 C ATOM 1269 C SER A 81 -2.205 11.474 -1.605 1.00 0.00 C ATOM 1270 O SER A 81 -2.267 12.682 -1.832 1.00 0.00 O ATOM 1271 CB SER A 81 -4.130 10.106 -0.779 1.00 0.00 C ATOM 1272 OG SER A 81 -4.830 11.199 -0.210 1.00 0.00 O ATOM 0 H SER A 81 -2.792 8.524 -2.163 1.00 0.00 H new ATOM 0 HA SER A 81 -4.005 11.082 -2.689 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.835 9.321 -1.052 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.450 9.681 -0.041 1.00 0.00 H new ATOM 0 HG SER A 81 -5.328 10.895 0.577 1.00 0.00 H new ATOM 1278 N SER A 82 -1.169 10.903 -0.999 1.00 0.00 N ATOM 1279 CA SER A 82 -0.020 11.683 -0.553 1.00 0.00 C ATOM 1280 C SER A 82 1.284 11.050 -1.029 1.00 0.00 C ATOM 1281 O SER A 82 1.740 10.050 -0.475 1.00 0.00 O ATOM 1282 CB SER A 82 -0.017 11.798 0.973 1.00 0.00 C ATOM 1283 OG SER A 82 0.602 13.002 1.392 1.00 0.00 O ATOM 0 H SER A 82 -1.101 9.904 -0.806 1.00 0.00 H new ATOM 0 HA SER A 82 -0.099 12.680 -0.986 1.00 0.00 H new ATOM 0 HB2 SER A 82 -1.041 11.763 1.346 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.509 10.946 1.404 1.00 0.00 H new ATOM 0 HG SER A 82 0.590 13.053 2.371 1.00 0.00 H new ATOM 1289 N ARG A 83 1.879 11.640 -2.060 1.00 0.00 N ATOM 1290 CA ARG A 83 3.129 11.135 -2.613 1.00 0.00 C ATOM 1291 C ARG A 83 4.089 10.724 -1.500 1.00 0.00 C ATOM 1292 O ARG A 83 4.265 11.430 -0.507 1.00 0.00 O ATOM 1293 CB ARG A 83 3.784 12.194 -3.501 1.00 0.00 C ATOM 1294 CG ARG A 83 4.930 11.658 -4.344 1.00 0.00 C ATOM 1295 CD ARG A 83 4.420 10.874 -5.543 1.00 0.00 C ATOM 1296 NE ARG A 83 5.359 9.834 -5.956 1.00 0.00 N ATOM 1297 CZ ARG A 83 5.163 9.040 -7.002 1.00 0.00 C ATOM 1298 NH1 ARG A 83 4.067 9.167 -7.738 1.00 0.00 N ATOM 1299 NH2 ARG A 83 6.063 8.117 -7.315 1.00 0.00 N ATOM 0 H ARG A 83 1.515 12.469 -2.530 1.00 0.00 H new ATOM 0 HA ARG A 83 2.901 10.256 -3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.028 12.621 -4.160 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.154 13.004 -2.873 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.550 12.487 -4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.565 11.017 -3.732 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.460 10.419 -5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.246 11.556 -6.375 1.00 0.00 H new ATOM 0 HE ARG A 83 6.212 9.711 -5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.373 9.876 -7.501 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.918 8.556 -8.541 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.907 8.016 -6.752 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.911 7.508 -8.119 1.00 0.00 H new ATOM 1313 N PRO A 84 4.725 9.555 -1.668 1.00 0.00 N ATOM 1314 CA PRO A 84 5.677 9.024 -0.688 1.00 0.00 C ATOM 1315 C PRO A 84 6.969 9.832 -0.639 1.00 0.00 C ATOM 1316 O PRO A 84 7.568 10.129 -1.673 1.00 0.00 O ATOM 1317 CB PRO A 84 5.952 7.606 -1.193 1.00 0.00 C ATOM 1318 CG PRO A 84 5.675 7.664 -2.656 1.00 0.00 C ATOM 1319 CD PRO A 84 4.563 8.662 -2.827 1.00 0.00 C ATOM 0 HA PRO A 84 5.280 9.060 0.327 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.982 7.309 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.310 6.878 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.563 7.970 -3.210 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.383 6.685 -3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.651 9.205 -3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.586 8.179 -2.828 1.00 0.00 H new ATOM 1327 N LYS A 85 7.396 10.185 0.569 1.00 0.00 N ATOM 1328 CA LYS A 85 8.618 10.957 0.754 1.00 0.00 C ATOM 1329 C LYS A 85 9.399 10.458 1.966 1.00 0.00 C ATOM 1330 O LYS A 85 8.846 9.795 2.842 1.00 0.00 O ATOM 1331 CB LYS A 85 8.288 12.442 0.923 1.00 0.00 C ATOM 1332 CG LYS A 85 7.456 12.743 2.158 1.00 0.00 C ATOM 1333 CD LYS A 85 5.969 12.629 1.870 1.00 0.00 C ATOM 1334 CE LYS A 85 5.147 12.700 3.148 1.00 0.00 C ATOM 1335 NZ LYS A 85 5.082 11.382 3.839 1.00 0.00 N ATOM 0 H LYS A 85 6.913 9.948 1.435 1.00 0.00 H new ATOM 0 HA LYS A 85 9.237 10.828 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.218 13.009 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.751 12.789 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.727 12.053 2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.682 13.748 2.514 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.665 13.430 1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.767 11.688 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.582 13.441 3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.137 13.037 2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.806 11.524 4.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.379 10.777 3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.015 10.924 3.801 1.00 0.00 H new ATOM 1349 N ALA A 86 10.687 10.782 2.008 1.00 0.00 N ATOM 1350 CA ALA A 86 11.543 10.369 3.114 1.00 0.00 C ATOM 1351 C ALA A 86 11.177 11.109 4.397 1.00 0.00 C ATOM 1352 O ALA A 86 11.282 12.334 4.469 1.00 0.00 O ATOM 1353 CB ALA A 86 13.005 10.604 2.766 1.00 0.00 C ATOM 0 H ALA A 86 11.161 11.329 1.289 1.00 0.00 H new ATOM 0 HA ALA A 86 11.388 9.303 3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.632 10.291 3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.265 10.026 1.880 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.166 11.664 2.568 1.00 0.00 H new ATOM 1359 N ILE A 87 10.747 10.358 5.405 1.00 0.00 N ATOM 1360 CA ILE A 87 10.366 10.944 6.684 1.00 0.00 C ATOM 1361 C ILE A 87 11.380 10.600 7.770 1.00 0.00 C ATOM 1362 O ILE A 87 12.109 9.613 7.662 1.00 0.00 O ATOM 1363 CB ILE A 87 8.972 10.465 7.130 1.00 0.00 C ATOM 1364 CG1 ILE A 87 8.987 8.958 7.395 1.00 0.00 C ATOM 1365 CG2 ILE A 87 7.931 10.813 6.076 1.00 0.00 C ATOM 1366 CD1 ILE A 87 7.918 8.505 8.365 1.00 0.00 C ATOM 0 H ILE A 87 10.654 9.343 5.361 1.00 0.00 H new ATOM 0 HA ILE A 87 10.342 12.024 6.541 1.00 0.00 H new ATOM 0 HB ILE A 87 8.708 10.975 8.056 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.857 8.430 6.450 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.964 8.676 7.786 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.951 10.468 6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.906 11.893 5.932 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.189 10.327 5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.988 7.426 8.506 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.060 9.006 9.323 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.935 8.756 7.966 1.00 0.00 H new ATOM 1378 N ARG A 88 11.420 11.419 8.816 1.00 0.00 N ATOM 1379 CA ARG A 88 12.345 11.201 9.922 1.00 0.00 C ATOM 1380 C ARG A 88 13.792 11.296 9.448 1.00 0.00 C ATOM 1381 O ARG A 88 14.621 10.448 9.777 1.00 0.00 O ATOM 1382 CB ARG A 88 12.095 9.834 10.562 1.00 0.00 C ATOM 1383 CG ARG A 88 10.718 9.698 11.190 1.00 0.00 C ATOM 1384 CD ARG A 88 10.256 8.249 11.213 1.00 0.00 C ATOM 1385 NE ARG A 88 10.781 7.526 12.368 1.00 0.00 N ATOM 1386 CZ ARG A 88 10.361 6.320 12.733 1.00 0.00 C ATOM 1387 NH1 ARG A 88 9.414 5.705 12.037 1.00 0.00 N ATOM 1388 NH2 ARG A 88 10.887 5.726 13.796 1.00 0.00 N ATOM 0 H ARG A 88 10.823 12.239 8.921 1.00 0.00 H new ATOM 0 HA ARG A 88 12.173 11.979 10.665 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.218 9.060 9.805 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.852 9.656 11.325 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.740 10.090 12.207 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.001 10.301 10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.167 8.216 11.229 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.576 7.752 10.298 1.00 0.00 H new ATOM 0 HE ARG A 88 11.510 7.972 12.925 1.00 0.00 H new ATOM 0 HH11 ARG A 88 9.006 6.158 11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.093 4.779 12.320 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.615 6.195 14.334 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.563 4.800 14.075 1.00 0.00 H new ATOM 1402 N GLY A 89 14.088 12.334 8.671 1.00 0.00 N ATOM 1403 CA GLY A 89 15.435 12.520 8.164 1.00 0.00 C ATOM 1404 C GLY A 89 15.665 11.799 6.851 1.00 0.00 C ATOM 1405 O GLY A 89 16.295 12.336 5.941 1.00 0.00 O ATOM 0 H GLY A 89 13.419 13.049 8.384 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.625 13.585 8.028 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.151 12.160 8.903 1.00 0.00 H new ATOM 1409 N GLY A 90 15.153 10.575 6.751 1.00 0.00 N ATOM 1410 CA GLY A 90 15.318 9.798 5.537 1.00 0.00 C ATOM 1411 C GLY A 90 15.558 8.328 5.817 1.00 0.00 C ATOM 1412 O GLY A 90 16.414 7.700 5.193 1.00 0.00 O ATOM 0 H GLY A 90 14.627 10.108 7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.428 9.906 4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 90 16.156 10.197 4.965 1.00 0.00 H new ATOM 1416 N THR A 91 14.801 7.776 6.760 1.00 0.00 N ATOM 1417 CA THR A 91 14.937 6.371 7.124 1.00 0.00 C ATOM 1418 C THR A 91 13.795 5.541 6.548 1.00 0.00 C ATOM 1419 O THR A 91 14.023 4.584 5.809 1.00 0.00 O ATOM 1420 CB THR A 91 14.969 6.187 8.653 1.00 0.00 C ATOM 1421 OG1 THR A 91 16.087 6.890 9.207 1.00 0.00 O ATOM 1422 CG2 THR A 91 15.058 4.714 9.019 1.00 0.00 C ATOM 0 H THR A 91 14.087 8.281 7.286 1.00 0.00 H new ATOM 0 HA THR A 91 15.882 6.026 6.704 1.00 0.00 H new ATOM 0 HB THR A 91 14.045 6.592 9.065 1.00 0.00 H new ATOM 0 HG1 THR A 91 16.100 6.770 10.180 1.00 0.00 H new ATOM 0 HG21 THR A 91 15.079 4.609 10.104 1.00 0.00 H new ATOM 0 HG22 THR A 91 14.191 4.187 8.620 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.968 4.288 8.596 1.00 0.00 H new ATOM 1430 N ALA A 92 12.567 5.914 6.891 1.00 0.00 N ATOM 1431 CA ALA A 92 11.389 5.204 6.406 1.00 0.00 C ATOM 1432 C ALA A 92 10.546 6.096 5.501 1.00 0.00 C ATOM 1433 O ALA A 92 10.744 7.310 5.450 1.00 0.00 O ATOM 1434 CB ALA A 92 10.558 4.699 7.576 1.00 0.00 C ATOM 0 H ALA A 92 12.361 6.704 7.503 1.00 0.00 H new ATOM 0 HA ALA A 92 11.726 4.349 5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.682 4.171 7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.158 4.020 8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.238 5.544 8.186 1.00 0.00 H new ATOM 1440 N SER A 93 9.605 5.486 4.787 1.00 0.00 N ATOM 1441 CA SER A 93 8.734 6.224 3.880 1.00 0.00 C ATOM 1442 C SER A 93 7.314 6.300 4.432 1.00 0.00 C ATOM 1443 O SER A 93 6.919 5.491 5.271 1.00 0.00 O ATOM 1444 CB SER A 93 8.723 5.564 2.500 1.00 0.00 C ATOM 1445 OG SER A 93 9.970 5.726 1.847 1.00 0.00 O ATOM 0 H SER A 93 9.426 4.482 4.819 1.00 0.00 H new ATOM 0 HA SER A 93 9.123 7.238 3.787 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.498 4.502 2.603 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.931 6.000 1.891 1.00 0.00 H new ATOM 0 HG SER A 93 9.820 6.006 0.920 1.00 0.00 H new ATOM 1451 N MET A 94 6.552 7.278 3.954 1.00 0.00 N ATOM 1452 CA MET A 94 5.175 7.460 4.398 1.00 0.00 C ATOM 1453 C MET A 94 4.291 7.934 3.249 1.00 0.00 C ATOM 1454 O MET A 94 4.655 8.850 2.511 1.00 0.00 O ATOM 1455 CB MET A 94 5.117 8.465 5.550 1.00 0.00 C ATOM 1456 CG MET A 94 3.884 8.315 6.426 1.00 0.00 C ATOM 1457 SD MET A 94 3.366 9.873 7.172 1.00 0.00 S ATOM 1458 CE MET A 94 2.501 10.633 5.800 1.00 0.00 C ATOM 0 H MET A 94 6.865 7.956 3.259 1.00 0.00 H new ATOM 0 HA MET A 94 4.802 6.497 4.746 1.00 0.00 H new ATOM 0 HB2 MET A 94 6.008 8.349 6.168 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.142 9.475 5.142 1.00 0.00 H new ATOM 0 HG2 MET A 94 3.066 7.913 5.829 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.089 7.590 7.214 1.00 0.00 H new ATOM 0 HE1 MET A 94 2.786 11.682 5.727 1.00 0.00 H new ATOM 0 HE2 MET A 94 2.764 10.120 4.875 1.00 0.00 H new ATOM 0 HE3 MET A 94 1.426 10.560 5.962 1.00 0.00 H new ATOM 1468 N CYS A 95 3.130 7.306 3.104 1.00 0.00 N ATOM 1469 CA CYS A 95 2.194 7.663 2.044 1.00 0.00 C ATOM 1470 C CYS A 95 0.779 7.215 2.393 1.00 0.00 C ATOM 1471 O CYS A 95 0.583 6.173 3.019 1.00 0.00 O ATOM 1472 CB CYS A 95 2.629 7.035 0.719 1.00 0.00 C ATOM 1473 SG CYS A 95 1.312 6.929 -0.515 1.00 0.00 S ATOM 0 H CYS A 95 2.814 6.547 3.707 1.00 0.00 H new ATOM 0 HA CYS A 95 2.196 8.748 1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.453 7.617 0.306 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.012 6.033 0.913 1.00 0.00 H new ATOM 0 HG CYS A 95 1.013 8.123 -0.935 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.206 8.009 1.985 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.604 7.694 2.255 1.00 0.00 C ATOM 1481 C VAL A 96 -2.350 7.359 0.969 1.00 0.00 C ATOM 1482 O VAL A 96 -1.923 7.732 -0.124 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.316 8.864 2.959 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.721 8.459 3.380 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.507 9.337 4.158 1.00 0.00 C ATOM 0 H VAL A 96 -0.062 8.875 1.466 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.612 6.825 2.913 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.398 9.692 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.208 9.298 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.297 8.174 2.499 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.666 7.614 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.025 10.164 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.391 8.516 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.524 9.670 3.825 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.468 6.654 1.107 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.275 6.267 -0.045 1.00 0.00 C ATOM 1497 C PHE A 97 -5.709 6.765 0.104 1.00 0.00 C ATOM 1498 O PHE A 97 -6.272 6.751 1.199 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.266 4.746 -0.213 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.980 4.213 -0.778 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -2.786 4.146 -2.148 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -1.967 3.779 0.061 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -1.604 3.657 -2.672 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -0.783 3.289 -0.457 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.601 3.226 -1.825 1.00 0.00 C ATOM 0 H PHE A 97 -3.836 6.339 2.005 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.840 6.726 -0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.449 4.280 0.755 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.089 4.456 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.567 4.480 -2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.104 3.824 1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -1.465 3.612 -3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.000 2.955 0.208 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.323 2.841 -2.231 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.295 7.206 -1.005 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.662 7.710 -0.998 1.00 0.00 C ATOM 1517 C ARG A 98 -8.514 6.985 -2.035 1.00 0.00 C ATOM 1518 O ARG A 98 -7.990 6.341 -2.944 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.675 9.215 -1.273 1.00 0.00 C ATOM 1520 CG ARG A 98 -7.266 9.578 -2.691 1.00 0.00 C ATOM 1521 CD ARG A 98 -6.821 11.029 -2.789 1.00 0.00 C ATOM 1522 NE ARG A 98 -7.939 11.926 -3.069 1.00 0.00 N ATOM 1523 CZ ARG A 98 -7.894 13.239 -2.872 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -6.793 13.805 -2.397 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -8.953 13.989 -3.151 1.00 0.00 N ATOM 0 H ARG A 98 -5.844 7.224 -1.919 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.086 7.524 -0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.676 9.602 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.003 9.710 -0.572 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.456 8.925 -3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.103 9.407 -3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.343 11.326 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.072 11.126 -3.575 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.801 11.522 -3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.977 13.232 -2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -6.762 14.813 -2.247 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.802 13.557 -3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -8.918 14.997 -3.000 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.832 7.095 -1.893 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.757 6.450 -2.818 1.00 0.00 C ATOM 1541 C HIS A 99 -10.840 7.223 -4.130 1.00 0.00 C ATOM 1542 O HIS A 99 -10.634 8.437 -4.162 1.00 0.00 O ATOM 1543 CB HIS A 99 -12.146 6.339 -2.189 1.00 0.00 C ATOM 1544 CG HIS A 99 -13.118 5.558 -3.018 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -14.046 6.151 -3.847 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.303 4.223 -3.143 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -14.761 5.215 -4.446 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -14.329 4.035 -4.036 1.00 0.00 N ATOM 0 H HIS A 99 -10.283 7.624 -1.147 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.381 5.449 -3.030 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -12.056 5.868 -1.210 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.543 7.341 -2.026 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.747 3.449 -2.635 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -15.562 5.385 -5.150 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.698 3.132 -4.334 1.00 0.00 H new