USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 657 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 17 HIS : no HD1:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 19 THR OG1 : rot 60:sc= -5.56! USER MOD Single : A 22 HIS :FLIP no HD1:sc= -1.39 F(o=-2!,f=-1.4) USER MOD Single : A 23 LYS NZ :NH3+ -138:sc= -0.947! (180deg=-3.16!) USER MOD Single : A 32 SER OG : rot 180:sc= -1.27 USER MOD Single : A 41 ASN : amide:sc= -3.61 K(o=-3.6,f=-9.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0456 USER MOD Single : A 47 HIS : no HD1:sc= -0.593 X(o=-0.59,f=-0.22) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 135:sc= 0.0864 USER MOD Single : A 57 GLN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 60 THR OG1 : rot 170:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 1.12 K(o=1.1,f=-0.41) USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.472) USER MOD Single : A 65 ASN : amide:sc= -2.95! C(o=-2.9!,f=-14!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0681 X(o=-0.068,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 157:sc= -0.913 (180deg=-1.87!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.071 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 100:sc= 0.13 USER MOD Single : A 79 THR OG1 : rot -121:sc= -1.43! USER MOD Single : A 80 HIS : no HE2:sc= -1.83 K(o=-1.8,f=-5.4!) USER MOD Single : A 81 HIS : no HD1:sc= -0.514 X(o=-0.51,f=-0.041) USER MOD Single : A 89 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.4!) USER MOD Single : A 95 GLN : amide:sc= -3.07! C(o=-3.1!,f=-3.6!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 205 N HIS A 17 4.237 -6.648 2.692 1.00 0.00 N ATOM 206 CA HIS A 17 5.076 -6.018 3.697 1.00 0.00 C ATOM 207 C HIS A 17 4.593 -4.587 3.944 1.00 0.00 C ATOM 208 O HIS A 17 4.637 -3.749 3.045 1.00 0.00 O ATOM 209 CB HIS A 17 6.550 -6.085 3.293 1.00 0.00 C ATOM 210 CG HIS A 17 7.476 -5.333 4.220 1.00 0.00 C ATOM 211 ND1 HIS A 17 8.214 -5.957 5.210 1.00 0.00 N ATOM 212 CD2 HIS A 17 7.775 -4.004 4.296 1.00 0.00 C ATOM 213 CE1 HIS A 17 8.922 -5.036 5.847 1.00 0.00 C ATOM 214 NE2 HIS A 17 8.647 -3.826 5.280 1.00 0.00 N ATOM 0 HA HIS A 17 4.993 -6.560 4.639 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.859 -7.130 3.256 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.658 -5.685 2.285 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.370 -3.228 3.663 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.598 -5.212 6.671 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.046 -2.932 5.566 1.00 0.00 H new ATOM 222 N VAL A 18 4.145 -4.352 5.169 1.00 0.00 N ATOM 223 CA VAL A 18 3.655 -3.037 5.546 1.00 0.00 C ATOM 224 C VAL A 18 4.840 -2.086 5.720 1.00 0.00 C ATOM 225 O VAL A 18 5.897 -2.488 6.204 1.00 0.00 O ATOM 226 CB VAL A 18 2.784 -3.143 6.800 1.00 0.00 C ATOM 227 CG1 VAL A 18 3.644 -3.136 8.066 1.00 0.00 C ATOM 228 CG2 VAL A 18 1.741 -2.026 6.839 1.00 0.00 C ATOM 0 H VAL A 18 4.111 -5.050 5.912 1.00 0.00 H new ATOM 0 HA VAL A 18 3.022 -2.626 4.760 1.00 0.00 H new ATOM 0 HB VAL A 18 2.253 -4.094 6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.001 -3.212 8.943 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.330 -3.983 8.044 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.214 -2.208 8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.136 -2.125 7.740 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.244 -1.059 6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.099 -2.097 5.961 1.00 0.00 H new ATOM 238 N THR A 19 4.625 -0.843 5.316 1.00 0.00 N ATOM 239 CA THR A 19 5.663 0.169 5.421 1.00 0.00 C ATOM 240 C THR A 19 5.161 1.366 6.231 1.00 0.00 C ATOM 241 O THR A 19 4.297 2.111 5.773 1.00 0.00 O ATOM 242 CB THR A 19 6.109 0.537 4.005 1.00 0.00 C ATOM 243 OG1 THR A 19 7.171 -0.371 3.728 1.00 0.00 O ATOM 244 CG2 THR A 19 6.771 1.915 3.939 1.00 0.00 C ATOM 0 H THR A 19 3.747 -0.513 4.915 1.00 0.00 H new ATOM 0 HA THR A 19 6.530 -0.208 5.962 1.00 0.00 H new ATOM 0 HB THR A 19 5.248 0.515 3.337 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.838 -1.291 3.783 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.069 2.127 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.065 2.674 4.276 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.651 1.927 4.582 1.00 0.00 H new ATOM 252 N ILE A 20 5.724 1.512 7.421 1.00 0.00 N ATOM 253 CA ILE A 20 5.345 2.606 8.299 1.00 0.00 C ATOM 254 C ILE A 20 6.180 3.841 7.959 1.00 0.00 C ATOM 255 O ILE A 20 7.374 3.888 8.253 1.00 0.00 O ATOM 256 CB ILE A 20 5.449 2.177 9.765 1.00 0.00 C ATOM 257 CG1 ILE A 20 4.426 1.088 10.092 1.00 0.00 C ATOM 258 CG2 ILE A 20 5.321 3.383 10.698 1.00 0.00 C ATOM 259 CD1 ILE A 20 3.017 1.674 10.203 1.00 0.00 C ATOM 0 H ILE A 20 6.440 0.891 7.798 1.00 0.00 H new ATOM 0 HA ILE A 20 4.300 2.875 8.143 1.00 0.00 H new ATOM 0 HB ILE A 20 6.438 1.748 9.926 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.445 0.322 9.317 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.696 0.600 11.029 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.398 3.052 11.734 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.119 4.095 10.484 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.355 3.863 10.542 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.309 0.878 10.436 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.996 2.422 10.995 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.741 2.139 9.257 1.00 0.00 H new ATOM 271 N LEU A 21 5.520 4.811 7.343 1.00 0.00 N ATOM 272 CA LEU A 21 6.187 6.044 6.959 1.00 0.00 C ATOM 273 C LEU A 21 6.038 7.071 8.083 1.00 0.00 C ATOM 274 O LEU A 21 4.931 7.321 8.557 1.00 0.00 O ATOM 275 CB LEU A 21 5.669 6.534 5.606 1.00 0.00 C ATOM 276 CG LEU A 21 6.676 6.511 4.454 1.00 0.00 C ATOM 277 CD1 LEU A 21 7.414 5.172 4.398 1.00 0.00 C ATOM 278 CD2 LEU A 21 5.997 6.847 3.125 1.00 0.00 C ATOM 0 H LEU A 21 4.530 4.768 7.100 1.00 0.00 H new ATOM 0 HA LEU A 21 7.255 5.873 6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.811 5.923 5.325 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.307 7.555 5.726 1.00 0.00 H new ATOM 0 HG LEU A 21 7.423 7.283 4.638 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.124 5.182 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.950 5.012 5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.695 4.366 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.735 6.824 2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.216 6.115 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.556 7.842 3.183 1.00 0.00 H new ATOM 290 N HIS A 22 7.169 7.637 8.478 1.00 0.00 N ATOM 291 CA HIS A 22 7.178 8.632 9.537 1.00 0.00 C ATOM 292 C HIS A 22 7.408 10.020 8.936 1.00 0.00 C ATOM 293 O HIS A 22 8.520 10.347 8.526 1.00 0.00 O ATOM 294 CB HIS A 22 8.208 8.272 10.610 1.00 0.00 C ATOM 295 CG HIS A 22 8.175 6.823 11.032 1.00 0.00 C ATOM 296 ND1 HIS A 22 8.841 5.737 10.544 1.00 0.00 N flip ATOM 297 CD2 HIS A 22 7.386 6.362 12.072 1.00 0.00 C flip ATOM 298 CE1 HIS A 22 8.480 4.672 11.248 1.00 0.00 C flip ATOM 299 NE2 HIS A 22 7.577 5.057 12.195 1.00 0.00 N flip ATOM 0 H HIS A 22 8.086 7.425 8.084 1.00 0.00 H new ATOM 0 HA HIS A 22 6.209 8.647 10.036 1.00 0.00 H new ATOM 0 HB2 HIS A 22 9.204 8.508 10.236 1.00 0.00 H new ATOM 0 HB3 HIS A 22 8.039 8.899 11.486 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.727 6.964 12.680 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.842 3.666 11.096 1.00 0.00 H new ATOM 0 HE2 HIS A 22 7.128 4.447 12.878 1.00 0.00 H new ATOM 307 N LYS A 23 6.337 10.799 8.903 1.00 0.00 N ATOM 308 CA LYS A 23 6.407 12.145 8.360 1.00 0.00 C ATOM 309 C LYS A 23 5.670 13.107 9.294 1.00 0.00 C ATOM 310 O LYS A 23 5.222 12.713 10.369 1.00 0.00 O ATOM 311 CB LYS A 23 5.891 12.169 6.920 1.00 0.00 C ATOM 312 CG LYS A 23 4.387 12.448 6.882 1.00 0.00 C ATOM 313 CD LYS A 23 3.702 11.620 5.793 1.00 0.00 C ATOM 314 CE LYS A 23 2.209 11.942 5.715 1.00 0.00 C ATOM 315 NZ LYS A 23 2.003 13.383 5.444 1.00 0.00 N ATOM 0 H LYS A 23 5.416 10.524 9.244 1.00 0.00 H new ATOM 0 HA LYS A 23 7.442 12.482 8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.421 12.934 6.353 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.100 11.213 6.439 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.946 12.216 7.851 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.215 13.509 6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.171 11.820 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.838 10.558 5.999 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.743 11.348 4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.723 11.669 6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.226 13.740 6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.874 13.906 5.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.764 13.517 4.441 1.00 0.00 H new ATOM 329 N GLU A 24 5.568 14.351 8.848 1.00 0.00 N ATOM 330 CA GLU A 24 4.893 15.372 9.631 1.00 0.00 C ATOM 331 C GLU A 24 3.492 15.630 9.072 1.00 0.00 C ATOM 332 O GLU A 24 3.144 15.130 8.003 1.00 0.00 O ATOM 333 CB GLU A 24 5.713 16.663 9.672 1.00 0.00 C ATOM 334 CG GLU A 24 6.844 16.562 10.698 1.00 0.00 C ATOM 335 CD GLU A 24 6.977 17.860 11.496 1.00 0.00 C ATOM 336 OE1 GLU A 24 5.954 18.273 12.084 1.00 0.00 O ATOM 337 OE2 GLU A 24 8.099 18.411 11.500 1.00 0.00 O ATOM 0 H GLU A 24 5.941 14.674 7.955 1.00 0.00 H new ATOM 0 HA GLU A 24 4.794 15.011 10.655 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.129 16.865 8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.064 17.502 9.922 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.651 15.732 11.377 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.783 16.346 10.189 1.00 0.00 H new ATOM 344 N GLU A 25 2.726 16.411 9.819 1.00 0.00 N ATOM 345 CA GLU A 25 1.371 16.741 9.412 1.00 0.00 C ATOM 346 C GLU A 25 1.390 17.552 8.114 1.00 0.00 C ATOM 347 O GLU A 25 1.675 18.749 8.130 1.00 0.00 O ATOM 348 CB GLU A 25 0.633 17.496 10.519 1.00 0.00 C ATOM 349 CG GLU A 25 -0.229 16.545 11.351 1.00 0.00 C ATOM 350 CD GLU A 25 -0.798 17.254 12.582 1.00 0.00 C ATOM 351 OE1 GLU A 25 -1.836 17.931 12.417 1.00 0.00 O ATOM 352 OE2 GLU A 25 -0.182 17.103 13.659 1.00 0.00 O ATOM 0 H GLU A 25 3.018 16.825 10.704 1.00 0.00 H new ATOM 0 HA GLU A 25 0.831 15.812 9.230 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.354 17.998 11.165 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.005 18.271 10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.045 16.159 10.740 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.367 15.688 11.664 1.00 0.00 H new ATOM 359 N GLY A 26 1.082 16.868 7.022 1.00 0.00 N ATOM 360 CA GLY A 26 1.060 17.510 5.719 1.00 0.00 C ATOM 361 C GLY A 26 2.479 17.722 5.188 1.00 0.00 C ATOM 362 O GLY A 26 2.789 18.779 4.640 1.00 0.00 O ATOM 0 H GLY A 26 0.846 15.876 7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.493 16.898 5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.548 18.469 5.791 1.00 0.00 H new ATOM 366 N ALA A 27 3.303 16.700 5.369 1.00 0.00 N ATOM 367 CA ALA A 27 4.681 16.761 4.915 1.00 0.00 C ATOM 368 C ALA A 27 4.796 16.073 3.553 1.00 0.00 C ATOM 369 O ALA A 27 5.748 16.313 2.811 1.00 0.00 O ATOM 370 CB ALA A 27 5.594 16.128 5.967 1.00 0.00 C ATOM 0 H ALA A 27 3.042 15.825 5.824 1.00 0.00 H new ATOM 0 HA ALA A 27 4.998 17.796 4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.628 16.174 5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.497 16.671 6.907 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.308 15.087 6.118 1.00 0.00 H new ATOM 376 N GLY A 28 3.814 15.231 3.267 1.00 0.00 N ATOM 377 CA GLY A 28 3.793 14.506 2.008 1.00 0.00 C ATOM 378 C GLY A 28 4.469 13.141 2.149 1.00 0.00 C ATOM 379 O GLY A 28 5.537 13.033 2.749 1.00 0.00 O ATOM 0 H GLY A 28 3.027 15.035 3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.763 14.373 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.301 15.089 1.240 1.00 0.00 H new ATOM 383 N LEU A 29 3.819 12.133 1.587 1.00 0.00 N ATOM 384 CA LEU A 29 4.343 10.779 1.643 1.00 0.00 C ATOM 385 C LEU A 29 5.661 10.715 0.868 1.00 0.00 C ATOM 386 O LEU A 29 6.650 10.177 1.362 1.00 0.00 O ATOM 387 CB LEU A 29 3.294 9.777 1.157 1.00 0.00 C ATOM 388 CG LEU A 29 2.107 9.542 2.093 1.00 0.00 C ATOM 389 CD1 LEU A 29 1.026 8.704 1.408 1.00 0.00 C ATOM 390 CD2 LEU A 29 2.565 8.917 3.413 1.00 0.00 C ATOM 0 H LEU A 29 2.933 12.227 1.090 1.00 0.00 H new ATOM 0 HA LEU A 29 4.564 10.498 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.911 10.120 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.787 8.821 0.981 1.00 0.00 H new ATOM 0 HG LEU A 29 1.663 10.509 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.194 8.552 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.671 9.224 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.442 7.738 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.702 8.760 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.048 7.960 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.272 9.585 3.906 1.00 0.00 H new ATOM 402 N GLY A 30 5.631 11.272 -0.334 1.00 0.00 N ATOM 403 CA GLY A 30 6.811 11.285 -1.182 1.00 0.00 C ATOM 404 C GLY A 30 6.526 10.615 -2.528 1.00 0.00 C ATOM 405 O GLY A 30 7.345 10.680 -3.443 1.00 0.00 O ATOM 0 H GLY A 30 4.808 11.717 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.135 12.313 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.629 10.768 -0.681 1.00 0.00 H new ATOM 409 N PHE A 31 5.362 9.986 -2.605 1.00 0.00 N ATOM 410 CA PHE A 31 4.959 9.305 -3.823 1.00 0.00 C ATOM 411 C PHE A 31 3.495 9.598 -4.156 1.00 0.00 C ATOM 412 O PHE A 31 2.771 10.167 -3.340 1.00 0.00 O ATOM 413 CB PHE A 31 5.123 7.805 -3.572 1.00 0.00 C ATOM 414 CG PHE A 31 4.009 7.192 -2.721 1.00 0.00 C ATOM 415 CD1 PHE A 31 3.909 7.508 -1.402 1.00 0.00 C ATOM 416 CD2 PHE A 31 3.120 6.330 -3.282 1.00 0.00 C ATOM 417 CE1 PHE A 31 2.876 6.939 -0.611 1.00 0.00 C ATOM 418 CE2 PHE A 31 2.087 5.760 -2.492 1.00 0.00 C ATOM 419 CZ PHE A 31 1.986 6.077 -1.173 1.00 0.00 C ATOM 0 H PHE A 31 4.686 9.934 -1.843 1.00 0.00 H new ATOM 0 HA PHE A 31 5.569 9.646 -4.659 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.160 7.288 -4.531 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.080 7.632 -3.080 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.616 8.192 -0.956 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.200 6.079 -4.329 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.797 7.190 0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.381 5.075 -2.938 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.200 5.645 -0.572 1.00 0.00 H new ATOM 429 N SER A 32 3.102 9.195 -5.356 1.00 0.00 N ATOM 430 CA SER A 32 1.737 9.407 -5.806 1.00 0.00 C ATOM 431 C SER A 32 1.095 8.069 -6.180 1.00 0.00 C ATOM 432 O SER A 32 1.769 7.041 -6.210 1.00 0.00 O ATOM 433 CB SER A 32 1.692 10.368 -6.997 1.00 0.00 C ATOM 434 OG SER A 32 2.363 9.836 -8.136 1.00 0.00 O ATOM 0 H SER A 32 3.705 8.723 -6.030 1.00 0.00 H new ATOM 0 HA SER A 32 1.174 9.857 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.654 10.580 -7.253 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.150 11.316 -6.716 1.00 0.00 H new ATOM 0 HG SER A 32 2.311 10.477 -8.875 1.00 0.00 H new ATOM 440 N LEU A 33 -0.200 8.127 -6.455 1.00 0.00 N ATOM 441 CA LEU A 33 -0.940 6.932 -6.825 1.00 0.00 C ATOM 442 C LEU A 33 -1.119 6.899 -8.344 1.00 0.00 C ATOM 443 O LEU A 33 -1.075 7.938 -9.001 1.00 0.00 O ATOM 444 CB LEU A 33 -2.256 6.856 -6.049 1.00 0.00 C ATOM 445 CG LEU A 33 -2.133 6.776 -4.526 1.00 0.00 C ATOM 446 CD1 LEU A 33 -3.324 6.032 -3.917 1.00 0.00 C ATOM 447 CD2 LEU A 33 -0.797 6.153 -4.115 1.00 0.00 C ATOM 0 H LEU A 33 -0.755 8.982 -6.429 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.382 6.037 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.854 7.732 -6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.809 5.983 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.151 7.791 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.211 5.990 -2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.246 6.557 -4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.364 5.019 -4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.736 6.108 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.724 5.145 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.022 6.761 -4.500 1.00 0.00 H new ATOM 459 N ALA A 34 -1.316 5.693 -8.858 1.00 0.00 N ATOM 460 CA ALA A 34 -1.502 5.511 -10.287 1.00 0.00 C ATOM 461 C ALA A 34 -2.555 4.427 -10.526 1.00 0.00 C ATOM 462 O ALA A 34 -2.504 3.361 -9.914 1.00 0.00 O ATOM 463 CB ALA A 34 -0.159 5.172 -10.937 1.00 0.00 C ATOM 0 H ALA A 34 -1.351 4.833 -8.310 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.865 6.430 -10.747 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.298 5.035 -12.009 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.545 5.986 -10.763 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.234 4.253 -10.502 1.00 0.00 H new ATOM 469 N GLY A 35 -3.486 4.737 -11.416 1.00 0.00 N ATOM 470 CA GLY A 35 -4.549 3.803 -11.744 1.00 0.00 C ATOM 471 C GLY A 35 -5.889 4.276 -11.175 1.00 0.00 C ATOM 472 O GLY A 35 -5.931 5.195 -10.359 1.00 0.00 O ATOM 0 H GLY A 35 -3.526 5.623 -11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.626 3.699 -12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.308 2.818 -11.345 1.00 0.00 H new ATOM 476 N GLY A 36 -6.951 3.626 -11.630 1.00 0.00 N ATOM 477 CA GLY A 36 -8.288 3.969 -11.177 1.00 0.00 C ATOM 478 C GLY A 36 -9.328 3.016 -11.768 1.00 0.00 C ATOM 479 O GLY A 36 -9.167 2.533 -12.888 1.00 0.00 O ATOM 0 H GLY A 36 -6.912 2.864 -12.307 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.329 3.928 -10.089 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.522 4.993 -11.466 1.00 0.00 H new ATOM 483 N ALA A 37 -10.373 2.774 -10.989 1.00 0.00 N ATOM 484 CA ALA A 37 -11.439 1.887 -11.422 1.00 0.00 C ATOM 485 C ALA A 37 -11.971 2.359 -12.777 1.00 0.00 C ATOM 486 O ALA A 37 -12.353 1.545 -13.615 1.00 0.00 O ATOM 487 CB ALA A 37 -12.531 1.841 -10.351 1.00 0.00 C ATOM 0 H ALA A 37 -10.504 3.177 -10.061 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.065 0.871 -11.551 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.331 1.176 -10.675 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.109 1.472 -9.416 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.932 2.843 -10.197 1.00 0.00 H new ATOM 493 N ASP A 38 -11.979 3.673 -12.948 1.00 0.00 N ATOM 494 CA ASP A 38 -12.458 4.263 -14.186 1.00 0.00 C ATOM 495 C ASP A 38 -11.440 4.001 -15.298 1.00 0.00 C ATOM 496 O ASP A 38 -11.788 4.011 -16.478 1.00 0.00 O ATOM 497 CB ASP A 38 -12.624 5.778 -14.046 1.00 0.00 C ATOM 498 CG ASP A 38 -13.389 6.452 -15.187 1.00 0.00 C ATOM 499 OD1 ASP A 38 -14.575 6.099 -15.363 1.00 0.00 O ATOM 500 OD2 ASP A 38 -12.770 7.306 -15.858 1.00 0.00 O ATOM 0 H ASP A 38 -11.661 4.345 -12.250 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.423 3.814 -14.422 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.140 5.987 -13.109 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.636 6.232 -13.973 1.00 0.00 H new ATOM 505 N LEU A 39 -10.203 3.771 -14.883 1.00 0.00 N ATOM 506 CA LEU A 39 -9.133 3.506 -15.829 1.00 0.00 C ATOM 507 C LEU A 39 -9.099 2.010 -16.149 1.00 0.00 C ATOM 508 O LEU A 39 -9.898 1.240 -15.618 1.00 0.00 O ATOM 509 CB LEU A 39 -7.804 4.052 -15.302 1.00 0.00 C ATOM 510 CG LEU A 39 -7.720 5.572 -15.143 1.00 0.00 C ATOM 511 CD1 LEU A 39 -8.852 6.094 -14.257 1.00 0.00 C ATOM 512 CD2 LEU A 39 -6.344 5.993 -14.622 1.00 0.00 C ATOM 0 H LEU A 39 -9.918 3.763 -13.904 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.317 4.029 -16.767 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.604 3.593 -14.334 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.009 3.732 -15.976 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.845 6.026 -16.126 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.769 7.177 -14.160 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.812 5.843 -14.708 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.783 5.635 -13.271 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.311 7.078 -14.518 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.165 5.530 -13.652 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.575 5.672 -15.325 1.00 0.00 H new ATOM 524 N GLU A 40 -8.166 1.644 -17.015 1.00 0.00 N ATOM 525 CA GLU A 40 -8.018 0.254 -17.412 1.00 0.00 C ATOM 526 C GLU A 40 -7.527 -0.586 -16.230 1.00 0.00 C ATOM 527 O GLU A 40 -7.841 -1.771 -16.134 1.00 0.00 O ATOM 528 CB GLU A 40 -7.072 0.123 -18.607 1.00 0.00 C ATOM 529 CG GLU A 40 -7.735 0.633 -19.889 1.00 0.00 C ATOM 530 CD GLU A 40 -7.605 -0.392 -21.018 1.00 0.00 C ATOM 531 OE1 GLU A 40 -6.479 -0.511 -21.549 1.00 0.00 O ATOM 532 OE2 GLU A 40 -8.633 -1.032 -21.325 1.00 0.00 O ATOM 0 H GLU A 40 -7.505 2.286 -17.453 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.994 -0.122 -17.720 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.159 0.687 -18.416 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.782 -0.920 -18.733 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.788 0.840 -19.700 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.274 1.573 -20.192 1.00 0.00 H new ATOM 539 N ASN A 41 -6.766 0.062 -15.360 1.00 0.00 N ATOM 540 CA ASN A 41 -6.230 -0.610 -14.189 1.00 0.00 C ATOM 541 C ASN A 41 -7.174 -0.394 -13.005 1.00 0.00 C ATOM 542 O ASN A 41 -7.639 0.721 -12.773 1.00 0.00 O ATOM 543 CB ASN A 41 -4.859 -0.046 -13.810 1.00 0.00 C ATOM 544 CG ASN A 41 -4.841 1.479 -13.930 1.00 0.00 C ATOM 545 OD1 ASN A 41 -5.856 2.147 -13.824 1.00 0.00 O ATOM 546 ND2 ASN A 41 -3.634 1.990 -14.156 1.00 0.00 N ATOM 0 H ASN A 41 -6.508 1.045 -15.443 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.132 -1.670 -14.424 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.612 -0.337 -12.789 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.094 -0.474 -14.458 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.517 2.999 -14.251 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.825 1.373 -14.234 1.00 0.00 H new ATOM 553 N LYS A 42 -7.429 -1.478 -12.287 1.00 0.00 N ATOM 554 CA LYS A 42 -8.309 -1.421 -11.132 1.00 0.00 C ATOM 555 C LYS A 42 -7.467 -1.364 -9.857 1.00 0.00 C ATOM 556 O LYS A 42 -7.968 -1.001 -8.793 1.00 0.00 O ATOM 557 CB LYS A 42 -9.306 -2.581 -11.160 1.00 0.00 C ATOM 558 CG LYS A 42 -10.699 -2.118 -10.729 1.00 0.00 C ATOM 559 CD LYS A 42 -11.529 -1.679 -11.936 1.00 0.00 C ATOM 560 CE LYS A 42 -12.948 -1.291 -11.514 1.00 0.00 C ATOM 561 NZ LYS A 42 -13.877 -2.426 -11.713 1.00 0.00 N ATOM 0 H LYS A 42 -7.042 -2.401 -12.483 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.912 -0.513 -11.157 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.353 -3.000 -12.165 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.963 -3.376 -10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.210 -2.927 -10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.609 -1.291 -10.025 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.047 -0.832 -12.425 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.571 -2.487 -12.666 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.952 -0.989 -10.467 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.284 -0.432 -12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.835 -2.146 -11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.885 -2.696 -12.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.564 -3.235 -11.140 1.00 0.00 H new ATOM 575 N VAL A 43 -6.202 -1.729 -10.004 1.00 0.00 N ATOM 576 CA VAL A 43 -5.285 -1.724 -8.877 1.00 0.00 C ATOM 577 C VAL A 43 -4.410 -0.471 -8.942 1.00 0.00 C ATOM 578 O VAL A 43 -3.603 -0.319 -9.858 1.00 0.00 O ATOM 579 CB VAL A 43 -4.472 -3.021 -8.858 1.00 0.00 C ATOM 580 CG1 VAL A 43 -3.037 -2.761 -8.395 1.00 0.00 C ATOM 581 CG2 VAL A 43 -5.148 -4.079 -7.984 1.00 0.00 C ATOM 0 H VAL A 43 -5.790 -2.030 -10.887 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.836 -1.687 -7.937 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.430 -3.406 -9.877 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.481 -3.698 -8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.557 -2.058 -9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.050 -2.342 -7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.550 -4.990 -7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.235 -3.706 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.141 -4.295 -8.377 1.00 0.00 H new ATOM 591 N ILE A 44 -4.599 0.396 -7.957 1.00 0.00 N ATOM 592 CA ILE A 44 -3.837 1.631 -7.891 1.00 0.00 C ATOM 593 C ILE A 44 -2.382 1.310 -7.545 1.00 0.00 C ATOM 594 O ILE A 44 -2.091 0.842 -6.445 1.00 0.00 O ATOM 595 CB ILE A 44 -4.496 2.616 -6.924 1.00 0.00 C ATOM 596 CG1 ILE A 44 -5.635 3.377 -7.607 1.00 0.00 C ATOM 597 CG2 ILE A 44 -3.460 3.562 -6.313 1.00 0.00 C ATOM 598 CD1 ILE A 44 -6.785 2.435 -7.967 1.00 0.00 C ATOM 0 H ILE A 44 -5.269 0.267 -7.199 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.832 2.128 -8.861 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.935 2.047 -6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.998 4.164 -6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.263 3.864 -8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.955 4.252 -5.630 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.715 2.983 -5.767 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.970 4.127 -7.106 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.581 3.001 -8.451 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.424 1.663 -8.647 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.171 1.969 -7.060 1.00 0.00 H new ATOM 610 N THR A 45 -1.507 1.573 -8.504 1.00 0.00 N ATOM 611 CA THR A 45 -0.089 1.318 -8.314 1.00 0.00 C ATOM 612 C THR A 45 0.660 2.629 -8.065 1.00 0.00 C ATOM 613 O THR A 45 0.121 3.710 -8.294 1.00 0.00 O ATOM 614 CB THR A 45 0.421 0.549 -9.534 1.00 0.00 C ATOM 615 OG1 THR A 45 -0.277 1.136 -10.630 1.00 0.00 O ATOM 616 CG2 THR A 45 -0.037 -0.911 -9.540 1.00 0.00 C ATOM 0 H THR A 45 -1.752 1.960 -9.415 1.00 0.00 H new ATOM 0 HA THR A 45 0.088 0.706 -7.429 1.00 0.00 H new ATOM 0 HB THR A 45 1.510 0.588 -9.558 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.005 0.698 -11.463 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.352 -1.411 -10.427 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.336 -1.413 -8.647 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.126 -0.951 -9.550 1.00 0.00 H new ATOM 624 N VAL A 46 1.893 2.489 -7.598 1.00 0.00 N ATOM 625 CA VAL A 46 2.722 3.649 -7.316 1.00 0.00 C ATOM 626 C VAL A 46 3.099 4.333 -8.631 1.00 0.00 C ATOM 627 O VAL A 46 3.995 3.875 -9.338 1.00 0.00 O ATOM 628 CB VAL A 46 3.939 3.232 -6.487 1.00 0.00 C ATOM 629 CG1 VAL A 46 4.794 4.447 -6.121 1.00 0.00 C ATOM 630 CG2 VAL A 46 3.512 2.464 -5.234 1.00 0.00 C ATOM 0 H VAL A 46 2.337 1.591 -7.408 1.00 0.00 H new ATOM 0 HA VAL A 46 2.172 4.376 -6.719 1.00 0.00 H new ATOM 0 HB VAL A 46 4.548 2.565 -7.097 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.652 4.124 -5.532 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.142 4.935 -7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.198 5.149 -5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.396 2.179 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.871 3.097 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.964 1.568 -5.526 1.00 0.00 H new ATOM 640 N HIS A 47 2.397 5.419 -8.919 1.00 0.00 N ATOM 641 CA HIS A 47 2.648 6.171 -10.136 1.00 0.00 C ATOM 642 C HIS A 47 4.134 6.523 -10.226 1.00 0.00 C ATOM 643 O HIS A 47 4.819 6.108 -11.159 1.00 0.00 O ATOM 644 CB HIS A 47 1.742 7.402 -10.211 1.00 0.00 C ATOM 645 CG HIS A 47 1.669 8.029 -11.583 1.00 0.00 C ATOM 646 ND1 HIS A 47 0.614 8.828 -11.987 1.00 0.00 N ATOM 647 CD2 HIS A 47 2.531 7.966 -12.638 1.00 0.00 C ATOM 648 CE1 HIS A 47 0.840 9.222 -13.231 1.00 0.00 C ATOM 649 NE2 HIS A 47 2.029 8.687 -13.633 1.00 0.00 N ATOM 0 H HIS A 47 1.654 5.796 -8.330 1.00 0.00 H new ATOM 0 HA HIS A 47 2.403 5.557 -11.003 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.737 7.120 -9.898 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.100 8.147 -9.501 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.464 7.422 -12.660 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.196 9.855 -13.823 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.461 8.819 -14.547 1.00 0.00 H new ATOM 657 N ARG A 48 4.590 7.284 -9.241 1.00 0.00 N ATOM 658 CA ARG A 48 5.982 7.696 -9.197 1.00 0.00 C ATOM 659 C ARG A 48 6.433 7.890 -7.748 1.00 0.00 C ATOM 660 O ARG A 48 5.616 8.172 -6.872 1.00 0.00 O ATOM 661 CB ARG A 48 6.196 9.000 -9.968 1.00 0.00 C ATOM 662 CG ARG A 48 7.019 8.759 -11.235 1.00 0.00 C ATOM 663 CD ARG A 48 6.129 8.771 -12.479 1.00 0.00 C ATOM 664 NE ARG A 48 6.957 8.621 -13.696 1.00 0.00 N ATOM 665 CZ ARG A 48 7.719 9.595 -14.212 1.00 0.00 C ATOM 666 NH1 ARG A 48 7.762 10.796 -13.619 1.00 0.00 N ATOM 667 NH2 ARG A 48 8.437 9.368 -15.320 1.00 0.00 N ATOM 0 H ARG A 48 4.019 7.626 -8.468 1.00 0.00 H new ATOM 0 HA ARG A 48 6.575 6.909 -9.664 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.231 9.432 -10.233 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.705 9.724 -9.331 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.787 9.527 -11.326 1.00 0.00 H new ATOM 0 HG3 ARG A 48 7.534 7.801 -11.161 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.401 7.962 -12.423 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.567 9.704 -12.525 1.00 0.00 H new ATOM 0 HE ARG A 48 6.947 7.719 -14.172 1.00 0.00 H new ATOM 0 HH11 ARG A 48 7.215 10.968 -12.775 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.342 11.538 -14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.404 8.454 -15.771 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.017 10.109 -15.713 1.00 0.00 H new ATOM 681 N VAL A 49 7.731 7.730 -7.539 1.00 0.00 N ATOM 682 CA VAL A 49 8.300 7.883 -6.211 1.00 0.00 C ATOM 683 C VAL A 49 9.300 9.042 -6.219 1.00 0.00 C ATOM 684 O VAL A 49 10.470 8.854 -6.547 1.00 0.00 O ATOM 685 CB VAL A 49 8.921 6.562 -5.751 1.00 0.00 C ATOM 686 CG1 VAL A 49 9.312 6.625 -4.274 1.00 0.00 C ATOM 687 CG2 VAL A 49 7.974 5.390 -6.019 1.00 0.00 C ATOM 0 H VAL A 49 8.405 7.496 -8.267 1.00 0.00 H new ATOM 0 HA VAL A 49 7.521 8.130 -5.489 1.00 0.00 H new ATOM 0 HB VAL A 49 9.830 6.398 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.751 5.674 -3.973 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.039 7.423 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.426 6.823 -3.671 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.438 4.463 -5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.041 5.545 -5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.767 5.326 -7.087 1.00 0.00 H new ATOM 697 N PHE A 50 8.801 10.214 -5.855 1.00 0.00 N ATOM 698 CA PHE A 50 9.636 11.403 -5.817 1.00 0.00 C ATOM 699 C PHE A 50 11.042 11.069 -5.316 1.00 0.00 C ATOM 700 O PHE A 50 11.229 10.103 -4.578 1.00 0.00 O ATOM 701 CB PHE A 50 8.978 12.380 -4.840 1.00 0.00 C ATOM 702 CG PHE A 50 7.499 12.646 -5.129 1.00 0.00 C ATOM 703 CD1 PHE A 50 6.966 12.296 -6.330 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.717 13.234 -4.184 1.00 0.00 C ATOM 705 CE1 PHE A 50 5.594 12.543 -6.598 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.344 13.481 -4.451 1.00 0.00 C ATOM 707 CZ PHE A 50 4.812 13.131 -5.653 1.00 0.00 C ATOM 0 H PHE A 50 7.830 10.366 -5.584 1.00 0.00 H new ATOM 0 HA PHE A 50 9.727 11.827 -6.817 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.075 11.987 -3.828 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.519 13.326 -4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 50 7.587 11.830 -7.081 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.140 13.513 -3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 50 5.171 12.264 -7.552 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.723 13.946 -3.700 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.768 13.320 -5.857 1.00 0.00 H new ATOM 717 N PRO A 51 12.020 11.909 -5.748 1.00 0.00 N ATOM 718 CA PRO A 51 13.404 11.714 -5.351 1.00 0.00 C ATOM 719 C PRO A 51 13.625 12.147 -3.900 1.00 0.00 C ATOM 720 O PRO A 51 14.513 11.630 -3.223 1.00 0.00 O ATOM 721 CB PRO A 51 14.217 12.528 -6.344 1.00 0.00 C ATOM 722 CG PRO A 51 13.245 13.515 -6.969 1.00 0.00 C ATOM 723 CD PRO A 51 11.835 13.064 -6.622 1.00 0.00 C ATOM 0 HA PRO A 51 13.704 10.666 -5.375 1.00 0.00 H new ATOM 0 HB2 PRO A 51 15.035 13.048 -5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 51 14.663 11.885 -7.103 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.428 14.521 -6.592 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.379 13.550 -8.050 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.278 13.855 -6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.273 12.797 -7.517 1.00 0.00 H new ATOM 731 N ASN A 52 12.803 13.091 -3.467 1.00 0.00 N ATOM 732 CA ASN A 52 12.898 13.599 -2.109 1.00 0.00 C ATOM 733 C ASN A 52 11.609 13.268 -1.354 1.00 0.00 C ATOM 734 O ASN A 52 10.693 14.085 -1.294 1.00 0.00 O ATOM 735 CB ASN A 52 13.073 15.119 -2.101 1.00 0.00 C ATOM 736 CG ASN A 52 14.223 15.544 -3.016 1.00 0.00 C ATOM 737 OD1 ASN A 52 14.028 16.122 -4.073 1.00 0.00 O ATOM 738 ND2 ASN A 52 15.428 15.226 -2.553 1.00 0.00 N ATOM 0 H ASN A 52 12.069 13.517 -4.032 1.00 0.00 H new ATOM 0 HA ASN A 52 13.762 13.134 -1.634 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.149 15.597 -2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.267 15.461 -1.084 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.261 15.466 -3.091 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.520 14.742 -1.660 1.00 0.00 H new ATOM 745 N GLY A 53 11.581 12.066 -0.796 1.00 0.00 N ATOM 746 CA GLY A 53 10.420 11.616 -0.047 1.00 0.00 C ATOM 747 C GLY A 53 10.770 10.418 0.839 1.00 0.00 C ATOM 748 O GLY A 53 11.941 10.075 0.991 1.00 0.00 O ATOM 0 H GLY A 53 12.343 11.390 -0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.042 12.431 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.622 11.342 -0.737 1.00 0.00 H new ATOM 752 N LEU A 54 9.732 9.816 1.401 1.00 0.00 N ATOM 753 CA LEU A 54 9.915 8.664 2.267 1.00 0.00 C ATOM 754 C LEU A 54 9.826 7.384 1.433 1.00 0.00 C ATOM 755 O LEU A 54 10.715 6.536 1.495 1.00 0.00 O ATOM 756 CB LEU A 54 8.924 8.708 3.433 1.00 0.00 C ATOM 757 CG LEU A 54 8.764 10.062 4.127 1.00 0.00 C ATOM 758 CD1 LEU A 54 7.330 10.260 4.620 1.00 0.00 C ATOM 759 CD2 LEU A 54 9.786 10.224 5.254 1.00 0.00 C ATOM 0 H LEU A 54 8.762 10.104 1.273 1.00 0.00 H new ATOM 0 HA LEU A 54 10.907 8.682 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.947 8.393 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.236 7.975 4.177 1.00 0.00 H new ATOM 0 HG LEU A 54 8.963 10.846 3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.244 11.230 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.645 10.219 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.077 9.472 5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.651 11.195 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.643 9.434 5.991 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.794 10.159 4.844 1.00 0.00 H new ATOM 771 N ALA A 55 8.746 7.285 0.673 1.00 0.00 N ATOM 772 CA ALA A 55 8.530 6.123 -0.172 1.00 0.00 C ATOM 773 C ALA A 55 9.831 5.777 -0.899 1.00 0.00 C ATOM 774 O ALA A 55 10.091 4.612 -1.193 1.00 0.00 O ATOM 775 CB ALA A 55 7.378 6.403 -1.140 1.00 0.00 C ATOM 0 H ALA A 55 8.011 7.990 0.625 1.00 0.00 H new ATOM 0 HA ALA A 55 8.249 5.258 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.216 5.531 -1.774 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.471 6.614 -0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.626 7.263 -1.762 1.00 0.00 H new ATOM 781 N SER A 56 10.614 6.812 -1.168 1.00 0.00 N ATOM 782 CA SER A 56 11.882 6.633 -1.855 1.00 0.00 C ATOM 783 C SER A 56 12.932 6.095 -0.882 1.00 0.00 C ATOM 784 O SER A 56 13.605 5.107 -1.172 1.00 0.00 O ATOM 785 CB SER A 56 12.359 7.944 -2.481 1.00 0.00 C ATOM 786 OG SER A 56 12.993 7.735 -3.740 1.00 0.00 O ATOM 0 H SER A 56 10.395 7.777 -0.923 1.00 0.00 H new ATOM 0 HA SER A 56 11.737 5.911 -2.659 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.509 8.614 -2.610 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.055 8.438 -1.802 1.00 0.00 H new ATOM 0 HG SER A 56 12.667 8.397 -4.385 1.00 0.00 H new ATOM 792 N GLN A 57 13.041 6.769 0.254 1.00 0.00 N ATOM 793 CA GLN A 57 13.999 6.372 1.272 1.00 0.00 C ATOM 794 C GLN A 57 13.750 4.923 1.698 1.00 0.00 C ATOM 795 O GLN A 57 14.680 4.119 1.748 1.00 0.00 O ATOM 796 CB GLN A 57 13.943 7.315 2.475 1.00 0.00 C ATOM 797 CG GLN A 57 14.713 8.607 2.196 1.00 0.00 C ATOM 798 CD GLN A 57 15.357 9.148 3.474 1.00 0.00 C ATOM 799 OE1 GLN A 57 14.948 10.156 4.027 1.00 0.00 O ATOM 800 NE2 GLN A 57 16.384 8.424 3.911 1.00 0.00 N ATOM 0 H GLN A 57 12.481 7.588 0.492 1.00 0.00 H new ATOM 0 HA GLN A 57 15.001 6.438 0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.905 7.550 2.709 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.363 6.819 3.350 1.00 0.00 H new ATOM 0 HG2 GLN A 57 15.483 8.421 1.447 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.038 9.355 1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 57 16.675 7.591 3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 57 16.881 8.702 4.757 1.00 0.00 H new ATOM 809 N GLU A 58 12.491 4.635 1.993 1.00 0.00 N ATOM 810 CA GLU A 58 12.109 3.297 2.413 1.00 0.00 C ATOM 811 C GLU A 58 12.484 2.276 1.338 1.00 0.00 C ATOM 812 O GLU A 58 12.972 1.191 1.651 1.00 0.00 O ATOM 813 CB GLU A 58 10.615 3.230 2.735 1.00 0.00 C ATOM 814 CG GLU A 58 10.362 2.401 3.995 1.00 0.00 C ATOM 815 CD GLU A 58 10.690 3.204 5.255 1.00 0.00 C ATOM 816 OE1 GLU A 58 9.962 4.189 5.506 1.00 0.00 O ATOM 817 OE2 GLU A 58 11.661 2.815 5.940 1.00 0.00 O ATOM 0 H GLU A 58 11.723 5.305 1.950 1.00 0.00 H new ATOM 0 HA GLU A 58 12.655 3.053 3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.224 4.238 2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.077 2.793 1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.319 2.084 4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 58 10.970 1.496 3.968 1.00 0.00 H new ATOM 824 N GLY A 59 12.244 2.659 0.092 1.00 0.00 N ATOM 825 CA GLY A 59 12.551 1.790 -1.031 1.00 0.00 C ATOM 826 C GLY A 59 11.501 0.685 -1.172 1.00 0.00 C ATOM 827 O GLY A 59 11.581 -0.139 -2.082 1.00 0.00 O ATOM 0 H GLY A 59 11.840 3.560 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.592 2.377 -1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.536 1.345 -0.892 1.00 0.00 H new ATOM 831 N THR A 60 10.542 0.704 -0.258 1.00 0.00 N ATOM 832 CA THR A 60 9.479 -0.286 -0.269 1.00 0.00 C ATOM 833 C THR A 60 8.440 0.059 -1.338 1.00 0.00 C ATOM 834 O THR A 60 8.055 -0.796 -2.134 1.00 0.00 O ATOM 835 CB THR A 60 8.894 -0.368 1.142 1.00 0.00 C ATOM 836 OG1 THR A 60 9.724 -1.315 1.808 1.00 0.00 O ATOM 837 CG2 THR A 60 7.505 -1.009 1.164 1.00 0.00 C ATOM 0 H THR A 60 10.479 1.389 0.495 1.00 0.00 H new ATOM 0 HA THR A 60 9.860 -1.272 -0.536 1.00 0.00 H new ATOM 0 HB THR A 60 8.838 0.633 1.570 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.521 -1.311 2.767 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.136 -1.043 2.189 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.822 -0.419 0.552 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.566 -2.022 0.767 1.00 0.00 H new ATOM 845 N ILE A 61 8.016 1.315 -1.322 1.00 0.00 N ATOM 846 CA ILE A 61 7.030 1.784 -2.280 1.00 0.00 C ATOM 847 C ILE A 61 7.725 2.109 -3.604 1.00 0.00 C ATOM 848 O ILE A 61 8.180 3.233 -3.811 1.00 0.00 O ATOM 849 CB ILE A 61 6.234 2.954 -1.700 1.00 0.00 C ATOM 850 CG1 ILE A 61 5.708 2.621 -0.302 1.00 0.00 C ATOM 851 CG2 ILE A 61 5.110 3.377 -2.649 1.00 0.00 C ATOM 852 CD1 ILE A 61 4.806 3.738 0.225 1.00 0.00 C ATOM 0 H ILE A 61 8.338 2.022 -0.660 1.00 0.00 H new ATOM 0 HA ILE A 61 6.299 1.003 -2.487 1.00 0.00 H new ATOM 0 HB ILE A 61 6.906 3.806 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.152 1.684 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.545 2.473 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.560 4.211 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.536 3.684 -3.604 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.432 2.538 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.446 3.476 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.372 4.668 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.957 3.867 -0.446 1.00 0.00 H new ATOM 864 N GLN A 62 7.786 1.104 -4.466 1.00 0.00 N ATOM 865 CA GLN A 62 8.418 1.269 -5.764 1.00 0.00 C ATOM 866 C GLN A 62 7.358 1.470 -6.849 1.00 0.00 C ATOM 867 O GLN A 62 6.327 0.799 -6.847 1.00 0.00 O ATOM 868 CB GLN A 62 9.318 0.076 -6.091 1.00 0.00 C ATOM 869 CG GLN A 62 10.479 -0.023 -5.099 1.00 0.00 C ATOM 870 CD GLN A 62 11.320 -1.273 -5.363 1.00 0.00 C ATOM 871 OE1 GLN A 62 11.451 -1.740 -6.483 1.00 0.00 O ATOM 872 NE2 GLN A 62 11.882 -1.788 -4.273 1.00 0.00 N ATOM 0 H GLN A 62 7.408 0.173 -4.291 1.00 0.00 H new ATOM 0 HA GLN A 62 9.047 2.158 -5.729 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.733 -0.843 -6.065 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.708 0.177 -7.104 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.106 0.865 -5.178 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.091 -0.050 -4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.732 -1.348 -3.365 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.463 -2.623 -4.345 1.00 0.00 H new ATOM 881 N LYS A 63 7.648 2.397 -7.750 1.00 0.00 N ATOM 882 CA LYS A 63 6.733 2.695 -8.838 1.00 0.00 C ATOM 883 C LYS A 63 6.297 1.388 -9.505 1.00 0.00 C ATOM 884 O LYS A 63 7.131 0.543 -9.826 1.00 0.00 O ATOM 885 CB LYS A 63 7.360 3.699 -9.807 1.00 0.00 C ATOM 886 CG LYS A 63 7.821 3.008 -11.092 1.00 0.00 C ATOM 887 CD LYS A 63 8.833 3.872 -11.847 1.00 0.00 C ATOM 888 CE LYS A 63 8.257 5.258 -12.143 1.00 0.00 C ATOM 889 NZ LYS A 63 8.727 5.744 -13.459 1.00 0.00 N ATOM 0 H LYS A 63 8.504 2.952 -7.749 1.00 0.00 H new ATOM 0 HA LYS A 63 5.832 3.175 -8.456 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.636 4.477 -10.048 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.208 4.189 -9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.269 2.044 -10.850 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.960 2.808 -11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.744 3.971 -11.257 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.110 3.382 -12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.168 5.216 -12.132 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.557 5.957 -11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.703 6.784 -13.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.701 5.418 -13.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.108 5.373 -14.208 1.00 0.00 H new ATOM 903 N GLY A 64 4.992 1.263 -9.693 1.00 0.00 N ATOM 904 CA GLY A 64 4.436 0.074 -10.315 1.00 0.00 C ATOM 905 C GLY A 64 3.911 -0.903 -9.260 1.00 0.00 C ATOM 906 O GLY A 64 3.150 -1.815 -9.578 1.00 0.00 O ATOM 0 H GLY A 64 4.303 1.966 -9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.627 0.356 -10.989 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.199 -0.415 -10.920 1.00 0.00 H new ATOM 910 N ASN A 65 4.340 -0.678 -8.027 1.00 0.00 N ATOM 911 CA ASN A 65 3.923 -1.526 -6.923 1.00 0.00 C ATOM 912 C ASN A 65 2.400 -1.476 -6.794 1.00 0.00 C ATOM 913 O ASN A 65 1.767 -0.516 -7.233 1.00 0.00 O ATOM 914 CB ASN A 65 4.526 -1.046 -5.601 1.00 0.00 C ATOM 915 CG ASN A 65 5.856 -1.748 -5.318 1.00 0.00 C ATOM 916 OD1 ASN A 65 6.864 -1.128 -5.025 1.00 0.00 O ATOM 917 ND2 ASN A 65 5.800 -3.073 -5.422 1.00 0.00 N ATOM 0 H ASN A 65 4.972 0.079 -7.768 1.00 0.00 H new ATOM 0 HA ASN A 65 4.266 -2.540 -7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.681 0.032 -5.638 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.828 -1.240 -4.787 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.635 -3.634 -5.252 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.922 -3.528 -5.671 1.00 0.00 H new ATOM 924 N GLU A 66 1.854 -2.521 -6.190 1.00 0.00 N ATOM 925 CA GLU A 66 0.416 -2.608 -5.997 1.00 0.00 C ATOM 926 C GLU A 66 0.031 -2.056 -4.624 1.00 0.00 C ATOM 927 O GLU A 66 0.339 -2.661 -3.598 1.00 0.00 O ATOM 928 CB GLU A 66 -0.073 -4.048 -6.167 1.00 0.00 C ATOM 929 CG GLU A 66 -1.297 -4.318 -5.289 1.00 0.00 C ATOM 930 CD GLU A 66 -2.076 -5.534 -5.793 1.00 0.00 C ATOM 931 OE1 GLU A 66 -2.120 -5.707 -7.030 1.00 0.00 O ATOM 932 OE2 GLU A 66 -2.609 -6.264 -4.930 1.00 0.00 O ATOM 0 H GLU A 66 2.382 -3.315 -5.828 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.072 -2.001 -6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.323 -4.230 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.727 -4.741 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.981 -4.486 -4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.946 -3.442 -5.284 1.00 0.00 H new ATOM 939 N VAL A 67 -0.639 -0.913 -4.648 1.00 0.00 N ATOM 940 CA VAL A 67 -1.070 -0.272 -3.417 1.00 0.00 C ATOM 941 C VAL A 67 -2.404 -0.875 -2.973 1.00 0.00 C ATOM 942 O VAL A 67 -3.466 -0.331 -3.273 1.00 0.00 O ATOM 943 CB VAL A 67 -1.135 1.245 -3.612 1.00 0.00 C ATOM 944 CG1 VAL A 67 -1.677 1.935 -2.359 1.00 0.00 C ATOM 945 CG2 VAL A 67 0.234 1.807 -4.000 1.00 0.00 C ATOM 0 H VAL A 67 -0.894 -0.414 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.350 -0.454 -2.619 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.824 1.449 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.713 3.012 -2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.680 1.567 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.024 1.719 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.160 2.886 -4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.954 1.587 -3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.564 1.349 -4.932 1.00 0.00 H new ATOM 955 N LEU A 68 -2.306 -1.992 -2.266 1.00 0.00 N ATOM 956 CA LEU A 68 -3.491 -2.675 -1.778 1.00 0.00 C ATOM 957 C LEU A 68 -4.410 -1.664 -1.088 1.00 0.00 C ATOM 958 O LEU A 68 -5.591 -1.568 -1.417 1.00 0.00 O ATOM 959 CB LEU A 68 -3.101 -3.857 -0.890 1.00 0.00 C ATOM 960 CG LEU A 68 -2.254 -4.945 -1.554 1.00 0.00 C ATOM 961 CD1 LEU A 68 -1.087 -5.357 -0.654 1.00 0.00 C ATOM 962 CD2 LEU A 68 -3.117 -6.142 -1.958 1.00 0.00 C ATOM 0 H LEU A 68 -1.424 -2.440 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.053 -3.102 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.554 -3.474 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.013 -4.316 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.826 -4.534 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.501 -6.131 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.454 -4.491 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.474 -5.742 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.490 -6.900 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.594 -6.562 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.883 -5.817 -2.662 1.00 0.00 H new ATOM 974 N SER A 69 -3.832 -0.936 -0.145 1.00 0.00 N ATOM 975 CA SER A 69 -4.583 0.064 0.595 1.00 0.00 C ATOM 976 C SER A 69 -3.690 1.267 0.905 1.00 0.00 C ATOM 977 O SER A 69 -2.479 1.215 0.697 1.00 0.00 O ATOM 978 CB SER A 69 -5.154 -0.521 1.888 1.00 0.00 C ATOM 979 OG SER A 69 -4.134 -1.042 2.734 1.00 0.00 O ATOM 0 H SER A 69 -2.852 -1.018 0.124 1.00 0.00 H new ATOM 0 HA SER A 69 -5.419 0.391 -0.024 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.708 0.251 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.863 -1.312 1.646 1.00 0.00 H new ATOM 0 HG SER A 69 -4.539 -1.405 3.549 1.00 0.00 H new ATOM 985 N ILE A 70 -4.322 2.322 1.397 1.00 0.00 N ATOM 986 CA ILE A 70 -3.600 3.535 1.738 1.00 0.00 C ATOM 987 C ILE A 70 -4.056 4.026 3.114 1.00 0.00 C ATOM 988 O ILE A 70 -5.153 4.566 3.251 1.00 0.00 O ATOM 989 CB ILE A 70 -3.753 4.579 0.631 1.00 0.00 C ATOM 990 CG1 ILE A 70 -2.749 4.333 -0.498 1.00 0.00 C ATOM 991 CG2 ILE A 70 -3.644 5.998 1.195 1.00 0.00 C ATOM 992 CD1 ILE A 70 -1.472 5.148 -0.283 1.00 0.00 C ATOM 0 H ILE A 70 -5.327 2.362 1.568 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.531 3.334 1.809 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.750 4.478 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.504 3.272 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.199 4.600 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.756 6.720 0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.428 6.157 1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.670 6.129 1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.775 4.955 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.718 6.210 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.012 4.861 0.662 1.00 0.00 H new ATOM 1004 N ASN A 71 -3.192 3.822 4.097 1.00 0.00 N ATOM 1005 CA ASN A 71 -3.493 4.237 5.456 1.00 0.00 C ATOM 1006 C ASN A 71 -4.353 3.168 6.133 1.00 0.00 C ATOM 1007 O ASN A 71 -4.689 3.290 7.310 1.00 0.00 O ATOM 1008 CB ASN A 71 -4.275 5.552 5.470 1.00 0.00 C ATOM 1009 CG ASN A 71 -3.863 6.423 6.658 1.00 0.00 C ATOM 1010 OD1 ASN A 71 -4.593 6.589 7.622 1.00 0.00 O ATOM 1011 ND2 ASN A 71 -2.656 6.968 6.537 1.00 0.00 N ATOM 0 H ASN A 71 -2.283 3.375 3.979 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.549 4.373 5.984 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.100 6.093 4.540 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.344 5.343 5.521 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.290 7.566 7.278 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.096 6.788 5.703 1.00 0.00 H new ATOM 1018 N GLY A 72 -4.684 2.144 5.360 1.00 0.00 N ATOM 1019 CA GLY A 72 -5.498 1.054 5.870 1.00 0.00 C ATOM 1020 C GLY A 72 -6.796 0.918 5.071 1.00 0.00 C ATOM 1021 O GLY A 72 -7.552 -0.032 5.265 1.00 0.00 O ATOM 0 H GLY A 72 -4.403 2.046 4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.936 0.121 5.819 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.730 1.229 6.920 1.00 0.00 H new ATOM 1025 N LYS A 73 -7.013 1.882 4.188 1.00 0.00 N ATOM 1026 CA LYS A 73 -8.206 1.883 3.359 1.00 0.00 C ATOM 1027 C LYS A 73 -7.922 1.117 2.065 1.00 0.00 C ATOM 1028 O LYS A 73 -7.072 1.522 1.273 1.00 0.00 O ATOM 1029 CB LYS A 73 -8.700 3.313 3.131 1.00 0.00 C ATOM 1030 CG LYS A 73 -9.502 3.416 1.832 1.00 0.00 C ATOM 1031 CD LYS A 73 -10.120 4.807 1.678 1.00 0.00 C ATOM 1032 CE LYS A 73 -11.528 4.850 2.276 1.00 0.00 C ATOM 1033 NZ LYS A 73 -11.473 4.679 3.745 1.00 0.00 N ATOM 0 H LYS A 73 -6.382 2.668 4.029 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.022 1.366 3.865 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.320 3.625 3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.849 3.993 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.853 3.207 0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.289 2.662 1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.489 5.546 2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.161 5.076 0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.004 5.800 2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.141 4.064 1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.329 5.084 4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.417 3.666 3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.634 5.166 4.120 1.00 0.00 H new ATOM 1047 N SER A 74 -8.651 0.024 1.890 1.00 0.00 N ATOM 1048 CA SER A 74 -8.488 -0.802 0.706 1.00 0.00 C ATOM 1049 C SER A 74 -9.242 -0.182 -0.472 1.00 0.00 C ATOM 1050 O SER A 74 -10.197 0.569 -0.277 1.00 0.00 O ATOM 1051 CB SER A 74 -8.978 -2.229 0.958 1.00 0.00 C ATOM 1052 OG SER A 74 -9.876 -2.298 2.062 1.00 0.00 O ATOM 0 H SER A 74 -9.356 -0.308 2.548 1.00 0.00 H new ATOM 0 HA SER A 74 -7.426 -0.849 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.474 -2.605 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.123 -2.878 1.145 1.00 0.00 H new ATOM 0 HG SER A 74 -10.167 -3.225 2.189 1.00 0.00 H new ATOM 1058 N LEU A 75 -8.785 -0.519 -1.670 1.00 0.00 N ATOM 1059 CA LEU A 75 -9.405 -0.005 -2.879 1.00 0.00 C ATOM 1060 C LEU A 75 -10.495 -0.974 -3.340 1.00 0.00 C ATOM 1061 O LEU A 75 -10.198 -2.017 -3.922 1.00 0.00 O ATOM 1062 CB LEU A 75 -8.345 0.281 -3.945 1.00 0.00 C ATOM 1063 CG LEU A 75 -6.991 0.772 -3.429 1.00 0.00 C ATOM 1064 CD1 LEU A 75 -5.875 0.451 -4.425 1.00 0.00 C ATOM 1065 CD2 LEU A 75 -7.043 2.263 -3.087 1.00 0.00 C ATOM 0 H LEU A 75 -7.993 -1.142 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.891 0.951 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.183 -0.630 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.742 1.028 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.763 0.238 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.923 0.811 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.821 -0.627 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.084 0.940 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.068 2.587 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.304 2.832 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.794 2.433 -2.315 1.00 0.00 H new ATOM 1077 N LYS A 76 -11.734 -0.596 -3.064 1.00 0.00 N ATOM 1078 CA LYS A 76 -12.870 -1.419 -3.443 1.00 0.00 C ATOM 1079 C LYS A 76 -13.298 -1.065 -4.869 1.00 0.00 C ATOM 1080 O LYS A 76 -14.387 -1.435 -5.304 1.00 0.00 O ATOM 1081 CB LYS A 76 -13.994 -1.289 -2.413 1.00 0.00 C ATOM 1082 CG LYS A 76 -14.361 0.179 -2.185 1.00 0.00 C ATOM 1083 CD LYS A 76 -13.747 0.702 -0.884 1.00 0.00 C ATOM 1084 CE LYS A 76 -14.822 0.907 0.185 1.00 0.00 C ATOM 1085 NZ LYS A 76 -14.204 1.299 1.472 1.00 0.00 N ATOM 0 H LYS A 76 -11.977 0.270 -2.582 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.592 -2.473 -3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -14.871 -1.838 -2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.683 -1.740 -1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.010 0.780 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.445 0.285 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.998 -0.003 -0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.233 1.644 -1.073 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.523 1.677 -0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.395 -0.011 0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.947 1.434 2.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.553 0.551 1.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.677 2.187 1.348 1.00 0.00 H new ATOM 1099 N GLY A 77 -12.418 -0.351 -5.556 1.00 0.00 N ATOM 1100 CA GLY A 77 -12.691 0.058 -6.923 1.00 0.00 C ATOM 1101 C GLY A 77 -12.703 1.583 -7.048 1.00 0.00 C ATOM 1102 O GLY A 77 -13.375 2.133 -7.918 1.00 0.00 O ATOM 0 H GLY A 77 -11.516 -0.046 -5.191 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.935 -0.359 -7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.653 -0.344 -7.241 1.00 0.00 H new ATOM 1106 N THR A 78 -11.950 2.222 -6.164 1.00 0.00 N ATOM 1107 CA THR A 78 -11.865 3.673 -6.164 1.00 0.00 C ATOM 1108 C THR A 78 -11.293 4.173 -7.492 1.00 0.00 C ATOM 1109 O THR A 78 -10.430 3.527 -8.084 1.00 0.00 O ATOM 1110 CB THR A 78 -11.039 4.098 -4.948 1.00 0.00 C ATOM 1111 OG1 THR A 78 -11.131 2.987 -4.061 1.00 0.00 O ATOM 1112 CG2 THR A 78 -11.686 5.248 -4.174 1.00 0.00 C ATOM 0 H THR A 78 -11.394 1.762 -5.443 1.00 0.00 H new ATOM 0 HA THR A 78 -12.852 4.127 -6.079 1.00 0.00 H new ATOM 0 HB THR A 78 -10.042 4.395 -5.272 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.318 2.445 -4.130 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.060 5.511 -3.321 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.790 6.114 -4.828 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.670 4.940 -3.820 1.00 0.00 H new ATOM 1120 N THR A 79 -11.798 5.320 -7.922 1.00 0.00 N ATOM 1121 CA THR A 79 -11.349 5.915 -9.169 1.00 0.00 C ATOM 1122 C THR A 79 -9.937 6.482 -9.011 1.00 0.00 C ATOM 1123 O THR A 79 -9.340 6.383 -7.940 1.00 0.00 O ATOM 1124 CB THR A 79 -12.380 6.963 -9.592 1.00 0.00 C ATOM 1125 OG1 THR A 79 -12.573 7.752 -8.422 1.00 0.00 O ATOM 1126 CG2 THR A 79 -13.758 6.353 -9.862 1.00 0.00 C ATOM 0 H THR A 79 -12.514 5.853 -7.429 1.00 0.00 H new ATOM 0 HA THR A 79 -11.280 5.169 -9.960 1.00 0.00 H new ATOM 0 HB THR A 79 -12.029 7.477 -10.487 1.00 0.00 H new ATOM 0 HG1 THR A 79 -13.516 7.719 -8.157 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.452 7.139 -10.159 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.680 5.617 -10.662 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.125 5.868 -8.957 1.00 0.00 H new ATOM 1134 N HIS A 80 -9.443 7.065 -10.094 1.00 0.00 N ATOM 1135 CA HIS A 80 -8.112 7.648 -10.089 1.00 0.00 C ATOM 1136 C HIS A 80 -8.085 8.857 -9.152 1.00 0.00 C ATOM 1137 O HIS A 80 -7.082 9.107 -8.484 1.00 0.00 O ATOM 1138 CB HIS A 80 -7.663 7.990 -11.511 1.00 0.00 C ATOM 1139 CG HIS A 80 -6.216 8.410 -11.614 1.00 0.00 C ATOM 1140 ND1 HIS A 80 -5.168 7.507 -11.573 1.00 0.00 N ATOM 1141 CD2 HIS A 80 -5.655 9.645 -11.758 1.00 0.00 C ATOM 1142 CE1 HIS A 80 -4.032 8.179 -11.686 1.00 0.00 C ATOM 1143 NE2 HIS A 80 -4.336 9.504 -11.801 1.00 0.00 N ATOM 0 H HIS A 80 -9.941 7.146 -10.981 1.00 0.00 H new ATOM 0 HA HIS A 80 -7.394 6.921 -9.709 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.825 7.123 -12.151 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.292 8.792 -11.896 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -5.255 6.496 -11.473 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.193 10.579 -11.826 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.040 7.753 -11.687 1.00 0.00 H new ATOM 1151 N HIS A 81 -9.198 9.575 -9.132 1.00 0.00 N ATOM 1152 CA HIS A 81 -9.315 10.752 -8.288 1.00 0.00 C ATOM 1153 C HIS A 81 -9.652 10.326 -6.857 1.00 0.00 C ATOM 1154 O HIS A 81 -8.923 10.651 -5.921 1.00 0.00 O ATOM 1155 CB HIS A 81 -10.331 11.738 -8.868 1.00 0.00 C ATOM 1156 CG HIS A 81 -10.290 13.107 -8.233 1.00 0.00 C ATOM 1157 ND1 HIS A 81 -10.658 14.258 -8.907 1.00 0.00 N ATOM 1158 CD2 HIS A 81 -9.921 13.497 -6.979 1.00 0.00 C ATOM 1159 CE1 HIS A 81 -10.513 15.288 -8.087 1.00 0.00 C ATOM 1160 NE2 HIS A 81 -10.055 14.815 -6.893 1.00 0.00 N ATOM 0 H HIS A 81 -10.027 9.364 -9.687 1.00 0.00 H new ATOM 0 HA HIS A 81 -8.361 11.279 -8.258 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.153 11.840 -9.938 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.332 11.324 -8.750 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.578 12.844 -6.190 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.721 16.321 -8.323 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.849 15.381 -6.069 1.00 0.00 H new ATOM 1168 N ASP A 82 -10.756 9.605 -6.733 1.00 0.00 N ATOM 1169 CA ASP A 82 -11.198 9.131 -5.433 1.00 0.00 C ATOM 1170 C ASP A 82 -9.997 8.584 -4.659 1.00 0.00 C ATOM 1171 O ASP A 82 -9.975 8.626 -3.430 1.00 0.00 O ATOM 1172 CB ASP A 82 -12.222 8.004 -5.576 1.00 0.00 C ATOM 1173 CG ASP A 82 -13.612 8.447 -6.036 1.00 0.00 C ATOM 1174 OD1 ASP A 82 -13.955 9.617 -5.760 1.00 0.00 O ATOM 1175 OD2 ASP A 82 -14.300 7.607 -6.655 1.00 0.00 O ATOM 0 H ASP A 82 -11.358 9.337 -7.512 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.656 9.969 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.837 7.272 -6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.318 7.497 -4.616 1.00 0.00 H new ATOM 1180 N ALA A 83 -9.028 8.082 -5.410 1.00 0.00 N ATOM 1181 CA ALA A 83 -7.827 7.527 -4.811 1.00 0.00 C ATOM 1182 C ALA A 83 -6.869 8.664 -4.452 1.00 0.00 C ATOM 1183 O ALA A 83 -6.414 8.761 -3.313 1.00 0.00 O ATOM 1184 CB ALA A 83 -7.198 6.515 -5.770 1.00 0.00 C ATOM 0 H ALA A 83 -9.051 8.048 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.068 6.996 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.297 6.099 -5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.908 5.712 -5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.940 7.012 -6.705 1.00 0.00 H new ATOM 1190 N LEU A 84 -6.590 9.496 -5.444 1.00 0.00 N ATOM 1191 CA LEU A 84 -5.694 10.623 -5.248 1.00 0.00 C ATOM 1192 C LEU A 84 -6.076 11.353 -3.959 1.00 0.00 C ATOM 1193 O LEU A 84 -5.238 11.549 -3.080 1.00 0.00 O ATOM 1194 CB LEU A 84 -5.686 11.523 -6.485 1.00 0.00 C ATOM 1195 CG LEU A 84 -4.798 11.062 -7.643 1.00 0.00 C ATOM 1196 CD1 LEU A 84 -4.390 9.597 -7.472 1.00 0.00 C ATOM 1197 CD2 LEU A 84 -5.480 11.313 -8.990 1.00 0.00 C ATOM 0 H LEU A 84 -6.969 9.412 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.667 10.277 -5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.709 11.613 -6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.366 12.520 -6.183 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.883 11.655 -7.629 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.760 9.295 -8.308 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.837 9.480 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.282 8.971 -7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.828 10.977 -9.796 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.420 10.763 -9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.678 12.379 -9.104 1.00 0.00 H new ATOM 1209 N ALA A 85 -7.342 11.737 -3.886 1.00 0.00 N ATOM 1210 CA ALA A 85 -7.845 12.441 -2.720 1.00 0.00 C ATOM 1211 C ALA A 85 -7.563 11.610 -1.466 1.00 0.00 C ATOM 1212 O ALA A 85 -6.940 12.095 -0.523 1.00 0.00 O ATOM 1213 CB ALA A 85 -9.336 12.733 -2.902 1.00 0.00 C ATOM 0 H ALA A 85 -8.035 11.573 -4.617 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.337 13.398 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.713 13.261 -2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.480 13.351 -3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.879 11.795 -3.021 1.00 0.00 H new ATOM 1219 N ILE A 86 -8.035 10.373 -1.497 1.00 0.00 N ATOM 1220 CA ILE A 86 -7.841 9.470 -0.375 1.00 0.00 C ATOM 1221 C ILE A 86 -6.370 9.495 0.046 1.00 0.00 C ATOM 1222 O ILE A 86 -6.059 9.404 1.233 1.00 0.00 O ATOM 1223 CB ILE A 86 -8.358 8.071 -0.717 1.00 0.00 C ATOM 1224 CG1 ILE A 86 -9.753 7.844 -0.130 1.00 0.00 C ATOM 1225 CG2 ILE A 86 -7.366 6.995 -0.272 1.00 0.00 C ATOM 1226 CD1 ILE A 86 -10.756 7.474 -1.225 1.00 0.00 C ATOM 0 H ILE A 86 -8.551 9.974 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.425 9.800 0.484 1.00 0.00 H new ATOM 0 HB ILE A 86 -8.448 7.996 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.713 7.049 0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.086 8.746 0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -7.758 6.011 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.412 7.148 -0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.219 7.059 0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.739 7.318 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.812 8.281 -1.955 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.433 6.558 -1.720 1.00 0.00 H new ATOM 1238 N LEU A 87 -5.505 9.620 -0.949 1.00 0.00 N ATOM 1239 CA LEU A 87 -4.075 9.659 -0.697 1.00 0.00 C ATOM 1240 C LEU A 87 -3.709 11.003 -0.065 1.00 0.00 C ATOM 1241 O LEU A 87 -2.799 11.079 0.760 1.00 0.00 O ATOM 1242 CB LEU A 87 -3.296 9.349 -1.977 1.00 0.00 C ATOM 1243 CG LEU A 87 -1.858 9.868 -2.030 1.00 0.00 C ATOM 1244 CD1 LEU A 87 -1.826 11.359 -2.370 1.00 0.00 C ATOM 1245 CD2 LEU A 87 -1.116 9.562 -0.727 1.00 0.00 C ATOM 0 H LEU A 87 -5.767 9.696 -1.932 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.793 8.884 0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.276 8.268 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.843 9.767 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.335 9.343 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.792 11.703 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.292 11.521 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.371 11.917 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.096 9.942 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.630 10.042 0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.093 8.484 -0.566 1.00 0.00 H new ATOM 1257 N ARG A 88 -4.436 12.032 -0.476 1.00 0.00 N ATOM 1258 CA ARG A 88 -4.199 13.369 0.039 1.00 0.00 C ATOM 1259 C ARG A 88 -4.622 13.455 1.508 1.00 0.00 C ATOM 1260 O ARG A 88 -4.272 14.407 2.204 1.00 0.00 O ATOM 1261 CB ARG A 88 -4.971 14.415 -0.768 1.00 0.00 C ATOM 1262 CG ARG A 88 -4.394 14.554 -2.178 1.00 0.00 C ATOM 1263 CD ARG A 88 -5.197 15.562 -3.002 1.00 0.00 C ATOM 1264 NE ARG A 88 -5.185 15.173 -4.430 1.00 0.00 N ATOM 1265 CZ ARG A 88 -5.758 15.888 -5.408 1.00 0.00 C ATOM 1266 NH1 ARG A 88 -6.392 17.032 -5.119 1.00 0.00 N ATOM 1267 NH2 ARG A 88 -5.697 15.458 -6.676 1.00 0.00 N ATOM 0 H ARG A 88 -5.190 11.966 -1.160 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.132 13.573 -0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.022 14.131 -0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.929 15.377 -0.257 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.354 14.874 -2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.402 13.584 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -6.223 15.607 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.773 16.559 -2.885 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.711 14.307 -4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.439 17.359 -4.154 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.828 17.576 -5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.215 14.587 -6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.133 16.002 -7.421 1.00 0.00 H new ATOM 1281 N GLN A 89 -5.369 12.447 1.935 1.00 0.00 N ATOM 1282 CA GLN A 89 -5.843 12.397 3.307 1.00 0.00 C ATOM 1283 C GLN A 89 -4.846 11.638 4.186 1.00 0.00 C ATOM 1284 O GLN A 89 -4.709 11.932 5.372 1.00 0.00 O ATOM 1285 CB GLN A 89 -7.233 11.763 3.384 1.00 0.00 C ATOM 1286 CG GLN A 89 -8.274 12.639 2.683 1.00 0.00 C ATOM 1287 CD GLN A 89 -9.623 12.569 3.402 1.00 0.00 C ATOM 1288 OE1 GLN A 89 -9.705 12.414 4.609 1.00 0.00 O ATOM 1289 NE2 GLN A 89 -10.673 12.691 2.594 1.00 0.00 N ATOM 0 H GLN A 89 -5.657 11.659 1.355 1.00 0.00 H new ATOM 0 HA GLN A 89 -5.923 13.418 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.213 10.776 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.515 11.621 4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.926 13.672 2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.391 12.314 1.649 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.533 12.819 1.592 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.618 12.657 2.977 1.00 0.00 H new ATOM 1298 N ALA A 90 -4.175 10.677 3.569 1.00 0.00 N ATOM 1299 CA ALA A 90 -3.194 9.874 4.280 1.00 0.00 C ATOM 1300 C ALA A 90 -1.953 10.723 4.562 1.00 0.00 C ATOM 1301 O ALA A 90 -1.050 10.291 5.276 1.00 0.00 O ATOM 1302 CB ALA A 90 -2.870 8.622 3.462 1.00 0.00 C ATOM 0 H ALA A 90 -4.291 10.436 2.585 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.592 9.543 5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.134 8.020 3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.779 8.038 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.466 8.915 2.493 1.00 0.00 H new ATOM 1308 N ARG A 91 -1.949 11.917 3.986 1.00 0.00 N ATOM 1309 CA ARG A 91 -0.835 12.831 4.167 1.00 0.00 C ATOM 1310 C ARG A 91 -1.157 13.852 5.260 1.00 0.00 C ATOM 1311 O ARG A 91 -0.294 14.633 5.659 1.00 0.00 O ATOM 1312 CB ARG A 91 -0.512 13.570 2.867 1.00 0.00 C ATOM 1313 CG ARG A 91 -0.105 12.589 1.765 1.00 0.00 C ATOM 1314 CD ARG A 91 -0.353 13.188 0.379 1.00 0.00 C ATOM 1315 NE ARG A 91 0.789 12.890 -0.513 1.00 0.00 N ATOM 1316 CZ ARG A 91 1.037 13.539 -1.659 1.00 0.00 C ATOM 1317 NH1 ARG A 91 0.224 14.526 -2.059 1.00 0.00 N ATOM 1318 NH2 ARG A 91 2.098 13.201 -2.405 1.00 0.00 N ATOM 0 H ARG A 91 -2.700 12.272 3.394 1.00 0.00 H new ATOM 0 HA ARG A 91 0.033 12.241 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.381 14.144 2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.294 14.283 3.040 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.949 12.334 1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.669 11.663 1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.271 12.780 -0.044 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.491 14.266 0.459 1.00 0.00 H new ATOM 0 HE ARG A 91 1.428 12.144 -0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.583 14.783 -1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.413 15.020 -2.931 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.717 12.450 -2.101 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.286 13.695 -3.277 1.00 0.00 H new ATOM 1332 N GLU A 92 -2.402 13.813 5.712 1.00 0.00 N ATOM 1333 CA GLU A 92 -2.849 14.726 6.751 1.00 0.00 C ATOM 1334 C GLU A 92 -2.157 14.402 8.076 1.00 0.00 C ATOM 1335 O GLU A 92 -1.709 15.303 8.784 1.00 0.00 O ATOM 1336 CB GLU A 92 -4.371 14.681 6.902 1.00 0.00 C ATOM 1337 CG GLU A 92 -5.060 14.805 5.542 1.00 0.00 C ATOM 1338 CD GLU A 92 -5.529 16.241 5.293 1.00 0.00 C ATOM 1339 OE1 GLU A 92 -6.341 16.722 6.112 1.00 0.00 O ATOM 1340 OE2 GLU A 92 -5.064 16.823 4.290 1.00 0.00 O ATOM 0 H GLU A 92 -3.115 13.164 5.378 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.575 15.740 6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.665 13.746 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.699 15.489 7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.372 14.501 4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.913 14.128 5.499 1.00 0.00 H new ATOM 1347 N PRO A 93 -2.089 13.078 8.381 1.00 0.00 N ATOM 1348 CA PRO A 93 -1.459 12.623 9.609 1.00 0.00 C ATOM 1349 C PRO A 93 0.065 12.714 9.509 1.00 0.00 C ATOM 1350 O PRO A 93 0.595 13.328 8.584 1.00 0.00 O ATOM 1351 CB PRO A 93 -1.958 11.201 9.804 1.00 0.00 C ATOM 1352 CG PRO A 93 -2.474 10.751 8.447 1.00 0.00 C ATOM 1353 CD PRO A 93 -2.608 11.983 7.567 1.00 0.00 C ATOM 0 HA PRO A 93 -1.716 13.242 10.468 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.156 10.550 10.152 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.748 11.164 10.554 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.788 10.033 7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.436 10.250 8.552 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.041 11.873 6.643 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.646 12.157 7.285 1.00 0.00 H new ATOM 1361 N ARG A 94 0.727 12.093 10.474 1.00 0.00 N ATOM 1362 CA ARG A 94 2.180 12.096 10.507 1.00 0.00 C ATOM 1363 C ARG A 94 2.724 10.738 10.057 1.00 0.00 C ATOM 1364 O ARG A 94 3.891 10.625 9.685 1.00 0.00 O ATOM 1365 CB ARG A 94 2.699 12.405 11.912 1.00 0.00 C ATOM 1366 CG ARG A 94 3.117 13.872 12.032 1.00 0.00 C ATOM 1367 CD ARG A 94 2.339 14.575 13.146 1.00 0.00 C ATOM 1368 NE ARG A 94 2.705 13.999 14.460 1.00 0.00 N ATOM 1369 CZ ARG A 94 3.792 14.354 15.159 1.00 0.00 C ATOM 1370 NH1 ARG A 94 4.625 15.285 14.675 1.00 0.00 N ATOM 1371 NH2 ARG A 94 4.044 13.779 16.343 1.00 0.00 N ATOM 0 H ARG A 94 0.284 11.584 11.239 1.00 0.00 H new ATOM 0 HA ARG A 94 2.525 12.874 9.826 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.925 12.182 12.647 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.549 11.761 12.139 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.186 13.934 12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.943 14.382 11.085 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.556 15.643 13.135 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.268 14.466 12.977 1.00 0.00 H new ATOM 0 HE ARG A 94 2.092 13.288 14.858 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.432 15.724 13.775 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.452 15.555 15.207 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.409 13.071 16.712 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.871 14.049 16.875 1.00 0.00 H new ATOM 1385 N GLN A 95 1.852 9.742 10.106 1.00 0.00 N ATOM 1386 CA GLN A 95 2.230 8.396 9.709 1.00 0.00 C ATOM 1387 C GLN A 95 1.253 7.858 8.661 1.00 0.00 C ATOM 1388 O GLN A 95 0.079 8.224 8.656 1.00 0.00 O ATOM 1389 CB GLN A 95 2.302 7.466 10.921 1.00 0.00 C ATOM 1390 CG GLN A 95 2.973 6.140 10.556 1.00 0.00 C ATOM 1391 CD GLN A 95 2.649 5.059 11.589 1.00 0.00 C ATOM 1392 OE1 GLN A 95 3.421 4.773 12.490 1.00 0.00 O ATOM 1393 NE2 GLN A 95 1.467 4.476 11.410 1.00 0.00 N ATOM 0 H GLN A 95 0.885 9.840 10.415 1.00 0.00 H new ATOM 0 HA GLN A 95 3.224 8.435 9.264 1.00 0.00 H new ATOM 0 HB2 GLN A 95 2.859 7.951 11.723 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.297 7.277 11.299 1.00 0.00 H new ATOM 0 HG2 GLN A 95 2.638 5.818 9.570 1.00 0.00 H new ATOM 0 HG3 GLN A 95 4.052 6.279 10.496 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.869 4.763 10.635 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.159 3.742 12.048 1.00 0.00 H new ATOM 1402 N ALA A 96 1.775 6.997 7.799 1.00 0.00 N ATOM 1403 CA ALA A 96 0.963 6.405 6.749 1.00 0.00 C ATOM 1404 C ALA A 96 1.347 4.933 6.583 1.00 0.00 C ATOM 1405 O ALA A 96 2.524 4.583 6.653 1.00 0.00 O ATOM 1406 CB ALA A 96 1.139 7.203 5.456 1.00 0.00 C ATOM 0 H ALA A 96 2.749 6.695 7.806 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.094 6.443 7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 96 0.530 6.759 4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 96 0.825 8.234 5.619 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.187 7.185 5.157 1.00 0.00 H new ATOM 1412 N VAL A 97 0.331 4.111 6.366 1.00 0.00 N ATOM 1413 CA VAL A 97 0.547 2.685 6.190 1.00 0.00 C ATOM 1414 C VAL A 97 0.108 2.278 4.782 1.00 0.00 C ATOM 1415 O VAL A 97 -1.071 2.370 4.444 1.00 0.00 O ATOM 1416 CB VAL A 97 -0.177 1.906 7.290 1.00 0.00 C ATOM 1417 CG1 VAL A 97 -0.637 0.538 6.782 1.00 0.00 C ATOM 1418 CG2 VAL A 97 0.706 1.761 8.531 1.00 0.00 C ATOM 0 H VAL A 97 -0.644 4.405 6.308 1.00 0.00 H new ATOM 0 HA VAL A 97 1.606 2.445 6.283 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.064 2.473 7.574 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.149 0.005 7.584 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.319 0.672 5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.229 -0.039 6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.168 1.204 9.298 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.619 1.227 8.268 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.961 2.749 8.913 1.00 0.00 H new ATOM 1428 N ILE A 98 1.081 1.836 3.998 1.00 0.00 N ATOM 1429 CA ILE A 98 0.810 1.414 2.634 1.00 0.00 C ATOM 1430 C ILE A 98 1.130 -0.075 2.493 1.00 0.00 C ATOM 1431 O ILE A 98 2.275 -0.488 2.670 1.00 0.00 O ATOM 1432 CB ILE A 98 1.562 2.302 1.640 1.00 0.00 C ATOM 1433 CG1 ILE A 98 1.291 3.783 1.913 1.00 0.00 C ATOM 1434 CG2 ILE A 98 1.228 1.914 0.198 1.00 0.00 C ATOM 1435 CD1 ILE A 98 2.392 4.391 2.784 1.00 0.00 C ATOM 0 H ILE A 98 2.058 1.761 4.281 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.247 1.537 2.399 1.00 0.00 H new ATOM 0 HB ILE A 98 2.631 2.140 1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.228 4.325 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.327 3.894 2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.775 2.560 -0.489 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.513 0.876 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.157 2.029 0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.175 5.444 2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.436 3.863 3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.351 4.300 2.274 1.00 0.00 H new ATOM 1447 N VAL A 99 0.097 -0.841 2.174 1.00 0.00 N ATOM 1448 CA VAL A 99 0.253 -2.276 2.007 1.00 0.00 C ATOM 1449 C VAL A 99 0.460 -2.593 0.524 1.00 0.00 C ATOM 1450 O VAL A 99 -0.417 -2.334 -0.298 1.00 0.00 O ATOM 1451 CB VAL A 99 -0.946 -3.008 2.613 1.00 0.00 C ATOM 1452 CG1 VAL A 99 -0.625 -4.484 2.852 1.00 0.00 C ATOM 1453 CG2 VAL A 99 -1.406 -2.330 3.905 1.00 0.00 C ATOM 0 H VAL A 99 -0.851 -0.495 2.027 1.00 0.00 H new ATOM 0 HA VAL A 99 1.135 -2.628 2.541 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.766 -2.956 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.494 -4.980 3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.369 -4.959 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.217 -4.567 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.259 -2.870 4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.591 -2.335 4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.696 -1.301 3.693 1.00 0.00 H new ATOM 1463 N THR A 100 1.626 -3.148 0.228 1.00 0.00 N ATOM 1464 CA THR A 100 1.960 -3.502 -1.141 1.00 0.00 C ATOM 1465 C THR A 100 2.731 -4.823 -1.178 1.00 0.00 C ATOM 1466 O THR A 100 3.097 -5.361 -0.134 1.00 0.00 O ATOM 1467 CB THR A 100 2.729 -2.333 -1.759 1.00 0.00 C ATOM 1468 OG1 THR A 100 4.045 -2.463 -1.227 1.00 0.00 O ATOM 1469 CG2 THR A 100 2.250 -0.976 -1.237 1.00 0.00 C ATOM 0 H THR A 100 2.351 -3.361 0.913 1.00 0.00 H new ATOM 0 HA THR A 100 1.062 -3.669 -1.735 1.00 0.00 H new ATOM 0 HB THR A 100 2.625 -2.363 -2.844 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.612 -1.745 -1.578 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.828 -0.181 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.194 -0.847 -1.475 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.386 -0.933 -0.156 1.00 0.00 H new ATOM 1477 N ARG A 101 2.954 -5.308 -2.390 1.00 0.00 N ATOM 1478 CA ARG A 101 3.675 -6.556 -2.576 1.00 0.00 C ATOM 1479 C ARG A 101 4.692 -6.417 -3.711 1.00 0.00 C ATOM 1480 O ARG A 101 4.472 -5.663 -4.657 1.00 0.00 O ATOM 1481 CB ARG A 101 2.716 -7.704 -2.897 1.00 0.00 C ATOM 1482 CG ARG A 101 1.980 -7.451 -4.215 1.00 0.00 C ATOM 1483 CD ARG A 101 0.482 -7.253 -3.977 1.00 0.00 C ATOM 1484 NE ARG A 101 -0.275 -8.397 -4.533 1.00 0.00 N ATOM 1485 CZ ARG A 101 -0.682 -8.480 -5.807 1.00 0.00 C ATOM 1486 NH1 ARG A 101 -0.408 -7.487 -6.664 1.00 0.00 N ATOM 1487 NH2 ARG A 101 -1.363 -9.556 -6.223 1.00 0.00 N ATOM 0 H ARG A 101 2.648 -4.859 -3.253 1.00 0.00 H new ATOM 0 HA ARG A 101 4.194 -6.781 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.271 -8.640 -2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.994 -7.816 -2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.394 -6.569 -4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.137 -8.292 -4.890 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.284 -7.160 -2.909 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.151 -6.326 -4.444 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.501 -9.170 -3.907 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.110 -6.668 -6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -0.718 -7.550 -7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.571 -10.311 -5.570 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -1.673 -9.620 -7.193 1.00 0.00 H new