USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 536 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 49 TYR OH : rot -15:sc= -1.33 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00603) USER MOD Set 2.1: A 24 ASN : amide:sc= -2.24! C(o=-2.7!,f=-5.1!) USER MOD Set 2.2: A 28 ASN : amide:sc= -0.485 K(o=-2.7,f=-5.6!) USER MOD Single : A 16 THR OG1 : rot -120:sc= -1.22 USER MOD Single : A 18 MET CE :methyl 168:sc= -0.215 (180deg=-0.771) USER MOD Single : A 27 LYS NZ :NH3+ 159:sc= -0.0133 (180deg=-0.179) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.031) USER MOD Single : A 34 HIS : no HD1:sc= -5.35! C(o=-5.4!,f=-6.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -3.66 K(o=-3.7,f=-5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.301) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -2.806 -3.357 -8.292 1.00 0.00 N ATOM 184 CA GLY A 13 -1.693 -4.332 -8.085 1.00 0.00 C ATOM 185 C GLY A 13 -0.335 -3.675 -8.376 1.00 0.00 C ATOM 186 O GLY A 13 0.695 -4.314 -8.267 1.00 0.00 O ATOM 0 HA2 GLY A 13 -1.712 -4.701 -7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.832 -5.195 -8.737 1.00 0.00 H new ATOM 190 N GLY A 14 -0.315 -2.411 -8.738 1.00 0.00 N ATOM 191 CA GLY A 14 0.984 -1.735 -9.025 1.00 0.00 C ATOM 192 C GLY A 14 1.504 -1.098 -7.740 1.00 0.00 C ATOM 193 O GLY A 14 2.695 -1.032 -7.503 1.00 0.00 O ATOM 0 H GLY A 14 -1.142 -1.824 -8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.707 -2.455 -9.408 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.852 -0.975 -9.795 1.00 0.00 H new ATOM 197 N ILE A 15 0.609 -0.630 -6.912 1.00 0.00 N ATOM 198 CA ILE A 15 1.023 0.008 -5.631 1.00 0.00 C ATOM 199 C ILE A 15 1.592 -1.059 -4.698 1.00 0.00 C ATOM 200 O ILE A 15 2.589 -0.847 -4.032 1.00 0.00 O ATOM 201 CB ILE A 15 -0.191 0.661 -4.959 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.001 1.475 -5.988 1.00 0.00 C ATOM 203 CG2 ILE A 15 0.294 1.584 -3.843 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.409 0.888 -6.112 1.00 0.00 C ATOM 0 H ILE A 15 -0.398 -0.663 -7.070 1.00 0.00 H new ATOM 0 HA ILE A 15 1.778 0.767 -5.836 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.834 -0.117 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.057 2.519 -5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.501 1.456 -6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.563 2.052 -3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.852 1.004 -3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.940 2.355 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.981 1.464 -6.840 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.343 -0.149 -6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.907 0.930 -5.144 1.00 0.00 H new ATOM 216 N THR A 16 0.959 -2.205 -4.643 1.00 0.00 N ATOM 217 CA THR A 16 1.449 -3.295 -3.750 1.00 0.00 C ATOM 218 C THR A 16 2.867 -3.702 -4.160 1.00 0.00 C ATOM 219 O THR A 16 3.666 -4.108 -3.338 1.00 0.00 O ATOM 220 CB THR A 16 0.518 -4.507 -3.855 1.00 0.00 C ATOM 221 OG1 THR A 16 1.057 -5.581 -3.099 1.00 0.00 O ATOM 222 CG2 THR A 16 0.383 -4.931 -5.319 1.00 0.00 C ATOM 0 H THR A 16 0.122 -2.431 -5.180 1.00 0.00 H new ATOM 0 HA THR A 16 1.460 -2.936 -2.721 1.00 0.00 H new ATOM 0 HB THR A 16 -0.465 -4.242 -3.466 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.222 -6.346 -3.689 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.280 -5.793 -5.388 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.031 -4.107 -5.900 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.364 -5.195 -5.713 1.00 0.00 H new ATOM 230 N ASP A 17 3.183 -3.590 -5.426 1.00 0.00 N ATOM 231 CA ASP A 17 4.550 -3.962 -5.896 1.00 0.00 C ATOM 232 C ASP A 17 5.573 -3.022 -5.258 1.00 0.00 C ATOM 233 O ASP A 17 6.648 -3.432 -4.865 1.00 0.00 O ATOM 234 CB ASP A 17 4.619 -3.835 -7.420 1.00 0.00 C ATOM 235 CG ASP A 17 4.238 -5.170 -8.062 1.00 0.00 C ATOM 236 OD1 ASP A 17 3.056 -5.389 -8.272 1.00 0.00 O ATOM 237 OD2 ASP A 17 5.135 -5.952 -8.332 1.00 0.00 O ATOM 0 H ASP A 17 2.551 -3.256 -6.154 1.00 0.00 H new ATOM 0 HA ASP A 17 4.769 -4.991 -5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.944 -3.050 -7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.624 -3.546 -7.726 1.00 0.00 H new ATOM 242 N MET A 18 5.236 -1.761 -5.147 1.00 0.00 N ATOM 243 CA MET A 18 6.173 -0.781 -4.527 1.00 0.00 C ATOM 244 C MET A 18 6.045 -0.832 -2.999 1.00 0.00 C ATOM 245 O MET A 18 6.937 -0.409 -2.284 1.00 0.00 O ATOM 246 CB MET A 18 5.834 0.628 -5.019 1.00 0.00 C ATOM 247 CG MET A 18 6.672 0.953 -6.257 1.00 0.00 C ATOM 248 SD MET A 18 6.614 2.734 -6.573 1.00 0.00 S ATOM 249 CE MET A 18 5.267 2.706 -7.782 1.00 0.00 C ATOM 0 H MET A 18 4.348 -1.369 -5.461 1.00 0.00 H new ATOM 0 HA MET A 18 7.195 -1.033 -4.810 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.773 0.696 -5.258 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.031 1.356 -4.232 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.703 0.633 -6.106 1.00 0.00 H new ATOM 0 HG3 MET A 18 6.292 0.407 -7.120 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.916 3.723 -7.959 1.00 0.00 H new ATOM 0 HE2 MET A 18 5.627 2.278 -8.718 1.00 0.00 H new ATOM 0 HE3 MET A 18 4.446 2.101 -7.398 1.00 0.00 H new ATOM 259 N LEU A 19 4.955 -1.362 -2.491 1.00 0.00 N ATOM 260 CA LEU A 19 4.780 -1.451 -1.016 1.00 0.00 C ATOM 261 C LEU A 19 5.564 -2.658 -0.523 1.00 0.00 C ATOM 262 O LEU A 19 6.177 -2.637 0.527 1.00 0.00 O ATOM 263 CB LEU A 19 3.295 -1.632 -0.684 1.00 0.00 C ATOM 264 CG LEU A 19 2.618 -0.260 -0.551 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.266 -0.280 -1.269 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.397 0.063 0.931 1.00 0.00 C ATOM 0 H LEU A 19 4.181 -1.736 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 19 5.139 -0.541 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.807 -2.214 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.187 -2.192 0.245 1.00 0.00 H new ATOM 0 HG LEU A 19 3.258 0.499 -1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.788 0.695 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.418 -0.507 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.628 -1.042 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.917 1.037 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.760 -0.700 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.357 0.082 1.446 1.00 0.00 H new ATOM 278 N VAL A 20 5.554 -3.703 -1.299 1.00 0.00 N ATOM 279 CA VAL A 20 6.300 -4.930 -0.931 1.00 0.00 C ATOM 280 C VAL A 20 7.802 -4.663 -1.081 1.00 0.00 C ATOM 281 O VAL A 20 8.618 -5.264 -0.406 1.00 0.00 O ATOM 282 CB VAL A 20 5.878 -6.061 -1.872 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.588 -7.351 -1.477 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.365 -6.268 -1.776 1.00 0.00 C ATOM 0 H VAL A 20 5.052 -3.757 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 20 6.085 -5.212 0.100 1.00 0.00 H new ATOM 0 HB VAL A 20 6.148 -5.796 -2.894 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.285 -8.154 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.666 -7.208 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.321 -7.615 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.065 -7.073 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.098 -6.529 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.853 -5.349 -2.061 1.00 0.00 H new ATOM 294 N GLU A 21 8.169 -3.767 -1.966 1.00 0.00 N ATOM 295 CA GLU A 21 9.612 -3.458 -2.173 1.00 0.00 C ATOM 296 C GLU A 21 10.192 -2.793 -0.924 1.00 0.00 C ATOM 297 O GLU A 21 11.016 -3.373 -0.245 1.00 0.00 O ATOM 298 CB GLU A 21 9.768 -2.520 -3.372 1.00 0.00 C ATOM 299 CG GLU A 21 11.152 -2.711 -3.995 1.00 0.00 C ATOM 300 CD GLU A 21 11.435 -1.569 -4.973 1.00 0.00 C ATOM 301 OE1 GLU A 21 10.516 -1.171 -5.669 1.00 0.00 O ATOM 302 OE2 GLU A 21 12.566 -1.113 -5.008 1.00 0.00 O ATOM 0 H GLU A 21 7.526 -3.237 -2.554 1.00 0.00 H new ATOM 0 HA GLU A 21 10.150 -4.387 -2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.994 -2.726 -4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.640 -1.485 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.913 -2.733 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.200 -3.668 -4.514 1.00 0.00 H new ATOM 309 N LEU A 22 9.784 -1.582 -0.606 1.00 0.00 N ATOM 310 CA LEU A 22 10.351 -0.911 0.611 1.00 0.00 C ATOM 311 C LEU A 22 10.092 -1.786 1.846 1.00 0.00 C ATOM 312 O LEU A 22 10.871 -1.806 2.779 1.00 0.00 O ATOM 313 CB LEU A 22 9.764 0.511 0.777 1.00 0.00 C ATOM 314 CG LEU A 22 8.377 0.517 1.449 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.018 1.954 1.851 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.330 -0.011 0.475 1.00 0.00 C ATOM 0 H LEU A 22 9.095 -1.039 -1.127 1.00 0.00 H new ATOM 0 HA LEU A 22 11.429 -0.797 0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.451 1.114 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.689 0.983 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 22 8.400 -0.120 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.037 1.964 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.764 2.334 2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.997 2.586 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.351 -0.005 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.304 0.624 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.585 -1.030 0.184 1.00 0.00 H new ATOM 328 N ALA A 23 9.009 -2.519 1.838 1.00 0.00 N ATOM 329 CA ALA A 23 8.683 -3.415 2.989 1.00 0.00 C ATOM 330 C ALA A 23 9.857 -4.369 3.235 1.00 0.00 C ATOM 331 O ALA A 23 10.196 -4.671 4.365 1.00 0.00 O ATOM 332 CB ALA A 23 7.427 -4.228 2.665 1.00 0.00 C ATOM 0 H ALA A 23 8.330 -2.536 1.077 1.00 0.00 H new ATOM 0 HA ALA A 23 8.505 -2.814 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.190 -4.881 3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.592 -3.551 2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.604 -4.831 1.775 1.00 0.00 H new ATOM 338 N ASN A 24 10.491 -4.825 2.181 1.00 0.00 N ATOM 339 CA ASN A 24 11.658 -5.736 2.347 1.00 0.00 C ATOM 340 C ASN A 24 12.791 -4.930 2.999 1.00 0.00 C ATOM 341 O ASN A 24 13.484 -5.400 3.879 1.00 0.00 O ATOM 342 CB ASN A 24 12.056 -6.325 0.961 1.00 0.00 C ATOM 343 CG ASN A 24 13.123 -5.485 0.226 1.00 0.00 C ATOM 344 OD1 ASN A 24 12.848 -4.896 -0.799 1.00 0.00 O ATOM 345 ND2 ASN A 24 14.338 -5.429 0.702 1.00 0.00 N ATOM 0 H ASN A 24 10.248 -4.604 1.215 1.00 0.00 H new ATOM 0 HA ASN A 24 11.423 -6.583 2.991 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.433 -7.339 1.099 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.166 -6.398 0.336 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.053 -4.891 0.213 1.00 0.00 H new ATOM 0 HD22 ASN A 24 14.572 -5.923 1.563 1.00 0.00 H new ATOM 352 N PHE A 25 12.951 -3.708 2.570 1.00 0.00 N ATOM 353 CA PHE A 25 14.004 -2.821 3.144 1.00 0.00 C ATOM 354 C PHE A 25 13.730 -2.596 4.632 1.00 0.00 C ATOM 355 O PHE A 25 14.632 -2.314 5.397 1.00 0.00 O ATOM 356 CB PHE A 25 13.967 -1.480 2.406 1.00 0.00 C ATOM 357 CG PHE A 25 15.095 -0.599 2.881 1.00 0.00 C ATOM 358 CD1 PHE A 25 16.398 -0.826 2.427 1.00 0.00 C ATOM 359 CD2 PHE A 25 14.837 0.447 3.776 1.00 0.00 C ATOM 360 CE1 PHE A 25 17.445 -0.009 2.867 1.00 0.00 C ATOM 361 CE2 PHE A 25 15.883 1.264 4.217 1.00 0.00 C ATOM 362 CZ PHE A 25 17.188 1.038 3.763 1.00 0.00 C ATOM 0 H PHE A 25 12.388 -3.280 1.835 1.00 0.00 H new ATOM 0 HA PHE A 25 14.985 -3.283 3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.050 -1.644 1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 25 13.011 -0.986 2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.596 -1.632 1.736 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.830 0.623 4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 25 18.451 -0.185 2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.684 2.070 4.908 1.00 0.00 H new ATOM 0 HZ PHE A 25 17.996 1.669 4.103 1.00 0.00 H new ATOM 372 N GLU A 26 12.495 -2.713 5.044 1.00 0.00 N ATOM 373 CA GLU A 26 12.160 -2.504 6.480 1.00 0.00 C ATOM 374 C GLU A 26 12.602 -3.721 7.294 1.00 0.00 C ATOM 375 O GLU A 26 13.379 -3.606 8.222 1.00 0.00 O ATOM 376 CB GLU A 26 10.650 -2.308 6.619 1.00 0.00 C ATOM 377 CG GLU A 26 10.327 -0.820 6.491 1.00 0.00 C ATOM 378 CD GLU A 26 10.078 -0.468 5.025 1.00 0.00 C ATOM 379 OE1 GLU A 26 8.992 -0.744 4.546 1.00 0.00 O ATOM 380 OE2 GLU A 26 10.979 0.075 4.406 1.00 0.00 O ATOM 0 H GLU A 26 11.703 -2.945 4.445 1.00 0.00 H new ATOM 0 HA GLU A 26 12.678 -1.620 6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.125 -2.875 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.309 -2.686 7.583 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.447 -0.577 7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.152 -0.225 6.882 1.00 0.00 H new ATOM 387 N LYS A 27 12.111 -4.885 6.952 1.00 0.00 N ATOM 388 CA LYS A 27 12.500 -6.117 7.703 1.00 0.00 C ATOM 389 C LYS A 27 13.981 -6.418 7.460 1.00 0.00 C ATOM 390 O LYS A 27 14.704 -6.776 8.369 1.00 0.00 O ATOM 391 CB LYS A 27 11.655 -7.299 7.224 1.00 0.00 C ATOM 392 CG LYS A 27 11.594 -8.361 8.323 1.00 0.00 C ATOM 393 CD LYS A 27 12.935 -9.092 8.401 1.00 0.00 C ATOM 394 CE LYS A 27 12.702 -10.542 8.830 1.00 0.00 C ATOM 395 NZ LYS A 27 12.145 -11.316 7.684 1.00 0.00 N ATOM 0 H LYS A 27 11.457 -5.036 6.184 1.00 0.00 H new ATOM 0 HA LYS A 27 12.331 -5.959 8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.649 -6.962 6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.085 -7.723 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.366 -7.895 9.281 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.793 -9.070 8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.433 -9.064 7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.593 -8.592 9.112 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.639 -10.989 9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.014 -10.576 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.314 -12.331 7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.122 -11.142 7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.610 -11.015 6.803 1.00 0.00 H new ATOM 409 N ASN A 28 14.440 -6.270 6.239 1.00 0.00 N ATOM 410 CA ASN A 28 15.881 -6.540 5.931 1.00 0.00 C ATOM 411 C ASN A 28 16.772 -5.662 6.818 1.00 0.00 C ATOM 412 O ASN A 28 17.908 -5.997 7.095 1.00 0.00 O ATOM 413 CB ASN A 28 16.160 -6.225 4.459 1.00 0.00 C ATOM 414 CG ASN A 28 15.587 -7.338 3.580 1.00 0.00 C ATOM 415 OD1 ASN A 28 14.852 -7.076 2.649 1.00 0.00 O ATOM 416 ND2 ASN A 28 15.897 -8.580 3.836 1.00 0.00 N ATOM 0 H ASN A 28 13.878 -5.973 5.441 1.00 0.00 H new ATOM 0 HA ASN A 28 16.099 -7.590 6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.712 -5.268 4.190 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.233 -6.133 4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.522 -9.329 3.254 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.514 -8.801 4.618 1.00 0.00 H new ATOM 423 N VAL A 29 16.257 -4.545 7.269 1.00 0.00 N ATOM 424 CA VAL A 29 17.053 -3.645 8.146 1.00 0.00 C ATOM 425 C VAL A 29 16.821 -4.066 9.605 1.00 0.00 C ATOM 426 O VAL A 29 15.909 -4.814 9.903 1.00 0.00 O ATOM 427 CB VAL A 29 16.606 -2.191 7.901 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.220 -1.246 8.944 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.068 -1.758 6.509 1.00 0.00 C ATOM 0 H VAL A 29 15.312 -4.220 7.063 1.00 0.00 H new ATOM 0 HA VAL A 29 18.118 -3.715 7.926 1.00 0.00 H new ATOM 0 HB VAL A 29 15.520 -2.142 7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.890 -0.226 8.750 1.00 0.00 H new ATOM 0 HG12 VAL A 29 16.900 -1.547 9.941 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.307 -1.293 8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.756 -0.730 6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.154 -1.824 6.449 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.623 -2.411 5.758 1.00 0.00 H new ATOM 439 N SER A 30 17.654 -3.611 10.506 1.00 0.00 N ATOM 440 CA SER A 30 17.506 -4.005 11.938 1.00 0.00 C ATOM 441 C SER A 30 16.379 -3.214 12.612 1.00 0.00 C ATOM 442 O SER A 30 15.350 -3.765 12.958 1.00 0.00 O ATOM 443 CB SER A 30 18.820 -3.731 12.670 1.00 0.00 C ATOM 444 OG SER A 30 18.690 -4.120 14.031 1.00 0.00 O ATOM 0 H SER A 30 18.432 -2.982 10.310 1.00 0.00 H new ATOM 0 HA SER A 30 17.259 -5.066 11.983 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.634 -4.282 12.199 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.072 -2.673 12.605 1.00 0.00 H new ATOM 0 HG SER A 30 19.532 -3.947 14.502 1.00 0.00 H new ATOM 450 N GLN A 31 16.577 -1.938 12.827 1.00 0.00 N ATOM 451 CA GLN A 31 15.532 -1.116 13.510 1.00 0.00 C ATOM 452 C GLN A 31 14.461 -0.655 12.511 1.00 0.00 C ATOM 453 O GLN A 31 14.259 0.530 12.308 1.00 0.00 O ATOM 454 CB GLN A 31 16.197 0.103 14.155 1.00 0.00 C ATOM 455 CG GLN A 31 17.293 -0.361 15.116 1.00 0.00 C ATOM 456 CD GLN A 31 16.654 -0.949 16.375 1.00 0.00 C ATOM 457 OE1 GLN A 31 16.432 -0.248 17.342 1.00 0.00 O ATOM 458 NE2 GLN A 31 16.349 -2.217 16.405 1.00 0.00 N ATOM 0 H GLN A 31 17.419 -1.429 12.558 1.00 0.00 H new ATOM 0 HA GLN A 31 15.047 -1.724 14.274 1.00 0.00 H new ATOM 0 HB2 GLN A 31 16.622 0.748 13.386 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.455 0.694 14.692 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.923 -1.108 14.633 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.938 0.477 15.380 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.535 -2.806 15.593 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.924 -2.620 17.240 1.00 0.00 H new ATOM 467 N ALA A 32 13.761 -1.579 11.898 1.00 0.00 N ATOM 468 CA ALA A 32 12.692 -1.187 10.932 1.00 0.00 C ATOM 469 C ALA A 32 11.597 -2.257 10.913 1.00 0.00 C ATOM 470 O ALA A 32 11.132 -2.665 9.863 1.00 0.00 O ATOM 471 CB ALA A 32 13.290 -1.030 9.534 1.00 0.00 C ATOM 0 H ALA A 32 13.884 -2.583 12.025 1.00 0.00 H new ATOM 0 HA ALA A 32 12.258 -0.236 11.242 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.506 -0.744 8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.060 -0.258 9.552 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.731 -1.975 9.219 1.00 0.00 H new ATOM 477 N ILE A 33 11.179 -2.711 12.067 1.00 0.00 N ATOM 478 CA ILE A 33 10.111 -3.751 12.127 1.00 0.00 C ATOM 479 C ILE A 33 8.738 -3.062 12.253 1.00 0.00 C ATOM 480 O ILE A 33 7.733 -3.596 11.830 1.00 0.00 O ATOM 481 CB ILE A 33 10.423 -4.726 13.308 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.562 -6.156 12.767 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.338 -4.714 14.398 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.706 -6.222 11.750 1.00 0.00 C ATOM 0 H ILE A 33 11.534 -2.404 12.973 1.00 0.00 H new ATOM 0 HA ILE A 33 10.083 -4.347 11.215 1.00 0.00 H new ATOM 0 HB ILE A 33 11.352 -4.384 13.764 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.754 -6.847 13.588 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.629 -6.469 12.298 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.611 -5.411 15.191 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.249 -3.710 14.812 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.384 -5.013 13.965 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.798 -7.240 11.371 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.497 -5.544 10.922 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.639 -5.929 12.232 1.00 0.00 H new ATOM 496 N HIS A 34 8.697 -1.886 12.826 1.00 0.00 N ATOM 497 CA HIS A 34 7.387 -1.166 12.965 1.00 0.00 C ATOM 498 C HIS A 34 6.927 -0.706 11.579 1.00 0.00 C ATOM 499 O HIS A 34 5.802 -0.952 11.172 1.00 0.00 O ATOM 500 CB HIS A 34 7.504 0.051 13.909 1.00 0.00 C ATOM 501 CG HIS A 34 8.820 0.764 13.725 1.00 0.00 C ATOM 502 ND1 HIS A 34 9.951 0.409 14.441 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.203 1.800 12.910 1.00 0.00 C ATOM 504 CE1 HIS A 34 10.951 1.216 14.047 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.548 2.085 13.116 1.00 0.00 N ATOM 0 H HIS A 34 9.506 -1.393 13.203 1.00 0.00 H new ATOM 0 HA HIS A 34 6.659 -1.850 13.400 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.684 0.743 13.717 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.408 -0.278 14.944 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.557 2.315 12.214 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.957 1.168 14.436 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.107 2.803 12.655 1.00 0.00 H new ATOM 513 N LYS A 35 7.793 -0.060 10.839 1.00 0.00 N ATOM 514 CA LYS A 35 7.414 0.395 9.468 1.00 0.00 C ATOM 515 C LYS A 35 7.294 -0.824 8.541 1.00 0.00 C ATOM 516 O LYS A 35 6.669 -0.759 7.500 1.00 0.00 O ATOM 517 CB LYS A 35 8.466 1.372 8.922 1.00 0.00 C ATOM 518 CG LYS A 35 9.876 0.795 9.102 1.00 0.00 C ATOM 519 CD LYS A 35 10.577 1.477 10.285 1.00 0.00 C ATOM 520 CE LYS A 35 12.013 1.850 9.900 1.00 0.00 C ATOM 521 NZ LYS A 35 12.077 3.301 9.570 1.00 0.00 N ATOM 0 H LYS A 35 8.744 0.171 11.125 1.00 0.00 H new ATOM 0 HA LYS A 35 6.455 0.910 9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.278 1.566 7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.388 2.327 9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.818 -0.280 9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.457 0.942 8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.027 2.371 10.578 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.585 0.810 11.147 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.692 1.623 10.722 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.337 1.257 9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.051 3.555 9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.441 3.504 8.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.784 3.859 10.398 1.00 0.00 H new ATOM 535 N TYR A 36 7.876 -1.943 8.920 1.00 0.00 N ATOM 536 CA TYR A 36 7.785 -3.175 8.080 1.00 0.00 C ATOM 537 C TYR A 36 6.306 -3.555 7.911 1.00 0.00 C ATOM 538 O TYR A 36 5.771 -3.530 6.818 1.00 0.00 O ATOM 539 CB TYR A 36 8.552 -4.308 8.784 1.00 0.00 C ATOM 540 CG TYR A 36 8.381 -5.623 8.050 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.536 -5.684 6.659 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.065 -6.781 8.770 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.376 -6.903 5.991 1.00 0.00 C ATOM 544 CE2 TYR A 36 7.904 -8.000 8.103 1.00 0.00 C ATOM 545 CZ TYR A 36 8.060 -8.061 6.713 1.00 0.00 C ATOM 546 OH TYR A 36 7.902 -9.264 6.053 1.00 0.00 O ATOM 0 H TYR A 36 8.412 -2.051 9.781 1.00 0.00 H new ATOM 0 HA TYR A 36 8.221 -3.003 7.096 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.611 -4.054 8.840 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.195 -4.411 9.809 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.779 -4.791 6.103 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.945 -6.733 9.842 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.496 -6.951 4.919 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.660 -8.893 8.659 1.00 0.00 H new ATOM 0 HH TYR A 36 7.686 -9.967 6.701 1.00 0.00 H new ATOM 556 N ASN A 37 5.642 -3.892 8.989 1.00 0.00 N ATOM 557 CA ASN A 37 4.193 -4.262 8.912 1.00 0.00 C ATOM 558 C ASN A 37 3.405 -3.131 8.239 1.00 0.00 C ATOM 559 O ASN A 37 2.353 -3.351 7.669 1.00 0.00 O ATOM 560 CB ASN A 37 3.650 -4.490 10.324 1.00 0.00 C ATOM 561 CG ASN A 37 4.112 -5.856 10.835 1.00 0.00 C ATOM 562 OD1 ASN A 37 3.535 -6.870 10.497 1.00 0.00 O ATOM 563 ND2 ASN A 37 5.136 -5.925 11.641 1.00 0.00 N ATOM 0 H ASN A 37 6.044 -3.927 9.926 1.00 0.00 H new ATOM 0 HA ASN A 37 4.085 -5.175 8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.001 -3.703 10.991 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.561 -4.441 10.318 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.452 -6.831 11.987 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.620 -5.073 11.924 1.00 0.00 H new ATOM 570 N ALA A 38 3.916 -1.921 8.288 1.00 0.00 N ATOM 571 CA ALA A 38 3.215 -0.767 7.642 1.00 0.00 C ATOM 572 C ALA A 38 2.951 -1.080 6.163 1.00 0.00 C ATOM 573 O ALA A 38 1.818 -1.195 5.733 1.00 0.00 O ATOM 574 CB ALA A 38 4.109 0.472 7.737 1.00 0.00 C ATOM 0 H ALA A 38 4.794 -1.684 8.751 1.00 0.00 H new ATOM 0 HA ALA A 38 2.266 -0.589 8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.608 1.319 7.269 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.305 0.700 8.785 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.052 0.280 7.225 1.00 0.00 H new ATOM 580 N TYR A 39 3.993 -1.210 5.387 1.00 0.00 N ATOM 581 CA TYR A 39 3.823 -1.499 3.931 1.00 0.00 C ATOM 582 C TYR A 39 3.560 -2.991 3.725 1.00 0.00 C ATOM 583 O TYR A 39 2.872 -3.384 2.803 1.00 0.00 O ATOM 584 CB TYR A 39 5.096 -1.092 3.177 1.00 0.00 C ATOM 585 CG TYR A 39 5.502 0.306 3.586 1.00 0.00 C ATOM 586 CD1 TYR A 39 4.942 1.417 2.944 1.00 0.00 C ATOM 587 CD2 TYR A 39 6.434 0.488 4.614 1.00 0.00 C ATOM 588 CE1 TYR A 39 5.315 2.709 3.331 1.00 0.00 C ATOM 589 CE2 TYR A 39 6.807 1.779 5.001 1.00 0.00 C ATOM 590 CZ TYR A 39 6.247 2.891 4.359 1.00 0.00 C ATOM 591 OH TYR A 39 6.614 4.165 4.742 1.00 0.00 O ATOM 0 H TYR A 39 4.961 -1.128 5.699 1.00 0.00 H new ATOM 0 HA TYR A 39 2.975 -0.931 3.548 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.901 -1.794 3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.922 -1.131 2.102 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.223 1.277 2.151 1.00 0.00 H new ATOM 0 HD2 TYR A 39 6.866 -0.369 5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.883 3.566 2.836 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.526 1.919 5.794 1.00 0.00 H new ATOM 0 HH TYR A 39 7.269 4.112 5.469 1.00 0.00 H new ATOM 601 N ARG A 40 4.103 -3.826 4.575 1.00 0.00 N ATOM 602 CA ARG A 40 3.888 -5.297 4.429 1.00 0.00 C ATOM 603 C ARG A 40 2.398 -5.620 4.568 1.00 0.00 C ATOM 604 O ARG A 40 1.833 -6.334 3.761 1.00 0.00 O ATOM 605 CB ARG A 40 4.673 -6.037 5.515 1.00 0.00 C ATOM 606 CG ARG A 40 5.036 -7.437 5.018 1.00 0.00 C ATOM 607 CD ARG A 40 3.779 -8.306 4.974 1.00 0.00 C ATOM 608 NE ARG A 40 4.172 -9.750 4.952 1.00 0.00 N ATOM 609 CZ ARG A 40 4.682 -10.341 6.015 1.00 0.00 C ATOM 610 NH1 ARG A 40 4.870 -9.689 7.141 1.00 0.00 N ATOM 611 NH2 ARG A 40 5.010 -11.602 5.948 1.00 0.00 N ATOM 0 H ARG A 40 4.687 -3.551 5.365 1.00 0.00 H new ATOM 0 HA ARG A 40 4.235 -5.615 3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.577 -5.483 5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.078 -6.106 6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.484 -7.377 4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.779 -7.887 5.677 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.152 -8.102 5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.188 -8.065 4.090 1.00 0.00 H new ATOM 0 HE ARG A 40 4.043 -10.289 4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.620 -8.702 7.207 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.266 -10.170 7.949 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.871 -12.120 5.080 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.405 -12.070 6.763 1.00 0.00 H new ATOM 625 N LYS A 41 1.762 -5.105 5.589 1.00 0.00 N ATOM 626 CA LYS A 41 0.309 -5.382 5.792 1.00 0.00 C ATOM 627 C LYS A 41 -0.517 -4.613 4.756 1.00 0.00 C ATOM 628 O LYS A 41 -1.531 -5.092 4.283 1.00 0.00 O ATOM 629 CB LYS A 41 -0.102 -4.940 7.198 1.00 0.00 C ATOM 630 CG LYS A 41 0.574 -5.842 8.233 1.00 0.00 C ATOM 631 CD LYS A 41 -0.207 -7.151 8.358 1.00 0.00 C ATOM 632 CE LYS A 41 0.027 -7.756 9.744 1.00 0.00 C ATOM 633 NZ LYS A 41 -0.760 -9.014 9.876 1.00 0.00 N ATOM 0 H LYS A 41 2.189 -4.503 6.293 1.00 0.00 H new ATOM 0 HA LYS A 41 0.128 -6.451 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.184 -3.901 7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.185 -4.993 7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.602 -6.047 7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.616 -5.338 9.198 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.271 -6.968 8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.111 -7.851 7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.088 -7.961 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.269 -7.047 10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.601 -9.426 10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.772 -8.805 9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.457 -9.691 9.147 1.00 0.00 H new ATOM 647 N ALA A 42 -0.095 -3.425 4.406 1.00 0.00 N ATOM 648 CA ALA A 42 -0.856 -2.619 3.407 1.00 0.00 C ATOM 649 C ALA A 42 -0.785 -3.293 2.036 1.00 0.00 C ATOM 650 O ALA A 42 -1.791 -3.491 1.381 1.00 0.00 O ATOM 651 CB ALA A 42 -0.255 -1.215 3.315 1.00 0.00 C ATOM 0 H ALA A 42 0.746 -2.978 4.771 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.897 -2.550 3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.812 -0.628 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.312 -0.730 4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.788 -1.285 3.005 1.00 0.00 H new ATOM 657 N ALA A 43 0.397 -3.646 1.597 1.00 0.00 N ATOM 658 CA ALA A 43 0.540 -4.307 0.265 1.00 0.00 C ATOM 659 C ALA A 43 -0.248 -5.622 0.249 1.00 0.00 C ATOM 660 O ALA A 43 -0.676 -6.082 -0.792 1.00 0.00 O ATOM 661 CB ALA A 43 2.021 -4.591 -0.008 1.00 0.00 C ATOM 0 H ALA A 43 1.270 -3.504 2.105 1.00 0.00 H new ATOM 0 HA ALA A 43 0.148 -3.646 -0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.126 -5.073 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.578 -3.654 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.414 -5.248 0.768 1.00 0.00 H new ATOM 667 N SER A 44 -0.440 -6.228 1.395 1.00 0.00 N ATOM 668 CA SER A 44 -1.197 -7.515 1.450 1.00 0.00 C ATOM 669 C SER A 44 -2.685 -7.255 1.191 1.00 0.00 C ATOM 670 O SER A 44 -3.264 -7.794 0.269 1.00 0.00 O ATOM 671 CB SER A 44 -1.025 -8.146 2.832 1.00 0.00 C ATOM 672 OG SER A 44 -1.593 -9.449 2.827 1.00 0.00 O ATOM 0 H SER A 44 -0.104 -5.886 2.295 1.00 0.00 H new ATOM 0 HA SER A 44 -0.812 -8.191 0.687 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.032 -8.199 3.091 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.509 -7.529 3.589 1.00 0.00 H new ATOM 0 HG SER A 44 -1.483 -9.857 3.711 1.00 0.00 H new ATOM 678 N VAL A 45 -3.305 -6.437 2.005 1.00 0.00 N ATOM 679 CA VAL A 45 -4.759 -6.141 1.820 1.00 0.00 C ATOM 680 C VAL A 45 -4.990 -5.503 0.443 1.00 0.00 C ATOM 681 O VAL A 45 -5.925 -5.845 -0.257 1.00 0.00 O ATOM 682 CB VAL A 45 -5.226 -5.189 2.934 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.426 -3.887 2.878 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.718 -4.875 2.764 1.00 0.00 C ATOM 0 H VAL A 45 -2.865 -5.960 2.792 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.332 -7.066 1.874 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.065 -5.672 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.763 -3.219 3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.367 -4.105 3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.577 -3.408 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.040 -4.200 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.882 -4.402 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.293 -5.800 2.818 1.00 0.00 H new ATOM 694 N ILE A 46 -4.149 -4.578 0.055 1.00 0.00 N ATOM 695 CA ILE A 46 -4.320 -3.912 -1.269 1.00 0.00 C ATOM 696 C ILE A 46 -4.046 -4.921 -2.393 1.00 0.00 C ATOM 697 O ILE A 46 -4.577 -4.804 -3.480 1.00 0.00 O ATOM 698 CB ILE A 46 -3.351 -2.728 -1.373 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.620 -1.761 -0.214 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.564 -1.996 -2.701 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.572 -0.644 -0.217 1.00 0.00 C ATOM 0 H ILE A 46 -3.350 -4.256 0.601 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.342 -3.546 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.325 -3.093 -1.326 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.619 -1.335 -0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.590 -2.298 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.873 -1.156 -2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.383 -2.683 -3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.589 -1.628 -2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.767 0.041 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.578 -1.077 -0.102 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.623 -0.099 -1.160 1.00 0.00 H new ATOM 713 N ALA A 47 -3.226 -5.911 -2.137 1.00 0.00 N ATOM 714 CA ALA A 47 -2.923 -6.930 -3.188 1.00 0.00 C ATOM 715 C ALA A 47 -4.007 -8.013 -3.189 1.00 0.00 C ATOM 716 O ALA A 47 -4.244 -8.661 -4.191 1.00 0.00 O ATOM 717 CB ALA A 47 -1.565 -7.574 -2.903 1.00 0.00 C ATOM 0 H ALA A 47 -2.754 -6.057 -1.245 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.898 -6.441 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.346 -8.317 -3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.790 -6.807 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.589 -8.058 -1.927 1.00 0.00 H new ATOM 723 N LYS A 48 -4.666 -8.213 -2.074 1.00 0.00 N ATOM 724 CA LYS A 48 -5.737 -9.251 -2.006 1.00 0.00 C ATOM 725 C LYS A 48 -7.104 -8.568 -1.961 1.00 0.00 C ATOM 726 O LYS A 48 -8.055 -9.095 -1.415 1.00 0.00 O ATOM 727 CB LYS A 48 -5.549 -10.093 -0.743 1.00 0.00 C ATOM 728 CG LYS A 48 -6.069 -11.512 -0.988 1.00 0.00 C ATOM 729 CD LYS A 48 -7.512 -11.622 -0.493 1.00 0.00 C ATOM 730 CE LYS A 48 -7.801 -13.066 -0.079 1.00 0.00 C ATOM 731 NZ LYS A 48 -9.261 -13.337 -0.204 1.00 0.00 N ATOM 0 H LYS A 48 -4.507 -7.700 -1.207 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.678 -9.893 -2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.495 -10.124 -0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.083 -9.639 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.019 -11.750 -2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.440 -12.235 -0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.670 -10.952 0.352 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.202 -11.313 -1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.237 -13.755 -0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.476 -13.233 0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.457 -14.319 0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.789 -12.688 0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.557 -13.194 -1.191 1.00 0.00 H new ATOM 745 N TYR A 49 -7.205 -7.395 -2.530 1.00 0.00 N ATOM 746 CA TYR A 49 -8.499 -6.660 -2.528 1.00 0.00 C ATOM 747 C TYR A 49 -9.266 -6.987 -3.824 1.00 0.00 C ATOM 748 O TYR A 49 -8.660 -7.065 -4.875 1.00 0.00 O ATOM 749 CB TYR A 49 -8.204 -5.155 -2.460 1.00 0.00 C ATOM 750 CG TYR A 49 -9.392 -4.405 -1.895 1.00 0.00 C ATOM 751 CD1 TYR A 49 -10.016 -4.848 -0.722 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.860 -3.254 -2.541 1.00 0.00 C ATOM 753 CE1 TYR A 49 -11.109 -4.146 -0.199 1.00 0.00 C ATOM 754 CE2 TYR A 49 -10.951 -2.550 -2.017 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.576 -2.996 -0.847 1.00 0.00 C ATOM 756 OH TYR A 49 -12.651 -2.302 -0.331 1.00 0.00 O ATOM 0 H TYR A 49 -6.438 -6.913 -2.999 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.105 -6.955 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.326 -4.979 -1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.970 -4.779 -3.456 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.654 -5.733 -0.220 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.379 -2.909 -3.444 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.591 -4.491 0.703 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.310 -1.662 -2.516 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.113 -2.859 0.330 1.00 0.00 H new ATOM 766 N PRO A 50 -10.573 -7.176 -3.733 1.00 0.00 N ATOM 767 CA PRO A 50 -11.436 -7.503 -4.912 1.00 0.00 C ATOM 768 C PRO A 50 -11.899 -6.233 -5.634 1.00 0.00 C ATOM 769 O PRO A 50 -12.779 -6.286 -6.474 1.00 0.00 O ATOM 770 CB PRO A 50 -12.623 -8.223 -4.290 1.00 0.00 C ATOM 771 CG PRO A 50 -12.717 -7.776 -2.841 1.00 0.00 C ATOM 772 CD PRO A 50 -11.397 -7.093 -2.473 1.00 0.00 C ATOM 0 HA PRO A 50 -10.913 -8.096 -5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.541 -7.983 -4.826 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.491 -9.303 -4.351 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.552 -7.089 -2.707 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.899 -8.630 -2.189 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.555 -6.059 -2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.905 -7.598 -1.642 1.00 0.00 H new ATOM 780 N HIS A 51 -11.332 -5.093 -5.313 1.00 0.00 N ATOM 781 CA HIS A 51 -11.769 -3.832 -5.987 1.00 0.00 C ATOM 782 C HIS A 51 -10.577 -2.883 -6.120 1.00 0.00 C ATOM 783 O HIS A 51 -9.487 -3.175 -5.663 1.00 0.00 O ATOM 784 CB HIS A 51 -12.878 -3.164 -5.160 1.00 0.00 C ATOM 785 CG HIS A 51 -13.908 -4.195 -4.771 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.808 -4.724 -5.683 1.00 0.00 N ATOM 787 CD2 HIS A 51 -14.163 -4.831 -3.582 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.553 -5.638 -5.033 1.00 0.00 C ATOM 789 NE2 HIS A 51 -15.202 -5.740 -3.750 1.00 0.00 N ATOM 0 H HIS A 51 -10.592 -4.983 -4.619 1.00 0.00 H new ATOM 0 HA HIS A 51 -12.154 -4.065 -6.980 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.454 -2.704 -4.268 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.346 -2.367 -5.737 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.637 -4.653 -2.656 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.339 -6.218 -5.494 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.609 -6.353 -3.044 1.00 0.00 H new ATOM 797 N LYS A 52 -10.775 -1.753 -6.750 1.00 0.00 N ATOM 798 CA LYS A 52 -9.657 -0.780 -6.924 1.00 0.00 C ATOM 799 C LYS A 52 -9.806 0.360 -5.915 1.00 0.00 C ATOM 800 O LYS A 52 -10.903 0.782 -5.601 1.00 0.00 O ATOM 801 CB LYS A 52 -9.694 -0.212 -8.344 1.00 0.00 C ATOM 802 CG LYS A 52 -8.409 0.573 -8.613 1.00 0.00 C ATOM 803 CD LYS A 52 -8.478 1.207 -10.004 1.00 0.00 C ATOM 804 CE LYS A 52 -7.067 1.326 -10.581 1.00 0.00 C ATOM 805 NZ LYS A 52 -7.117 2.085 -11.863 1.00 0.00 N ATOM 0 H LYS A 52 -11.666 -1.462 -7.152 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.706 -1.287 -6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.797 -1.020 -9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.561 0.437 -8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.278 1.346 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.546 -0.089 -8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.101 0.600 -10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.942 2.191 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.414 1.833 -9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.646 0.335 -10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.158 2.166 -12.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.727 1.584 -12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.501 3.036 -11.689 1.00 0.00 H new ATOM 819 N ILE A 53 -8.708 0.861 -5.410 1.00 0.00 N ATOM 820 CA ILE A 53 -8.773 1.978 -4.422 1.00 0.00 C ATOM 821 C ILE A 53 -8.920 3.304 -5.170 1.00 0.00 C ATOM 822 O ILE A 53 -8.097 3.655 -5.994 1.00 0.00 O ATOM 823 CB ILE A 53 -7.488 1.999 -3.590 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.253 0.616 -2.978 1.00 0.00 C ATOM 825 CG2 ILE A 53 -7.621 3.032 -2.471 1.00 0.00 C ATOM 826 CD1 ILE A 53 -5.889 0.589 -2.287 1.00 0.00 C ATOM 0 H ILE A 53 -7.767 0.543 -5.641 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.628 1.834 -3.762 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.646 2.262 -4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.041 0.386 -2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.295 -0.149 -3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.706 3.047 -1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.789 4.018 -2.904 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.463 2.769 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.721 -0.396 -1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.107 0.801 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.865 1.343 -1.500 1.00 0.00 H new ATOM 838 N LYS A 54 -9.966 4.040 -4.890 1.00 0.00 N ATOM 839 CA LYS A 54 -10.177 5.345 -5.583 1.00 0.00 C ATOM 840 C LYS A 54 -9.321 6.424 -4.917 1.00 0.00 C ATOM 841 O LYS A 54 -8.464 7.021 -5.542 1.00 0.00 O ATOM 842 CB LYS A 54 -11.653 5.738 -5.491 1.00 0.00 C ATOM 843 CG LYS A 54 -12.031 6.591 -6.704 1.00 0.00 C ATOM 844 CD LYS A 54 -11.868 8.072 -6.356 1.00 0.00 C ATOM 845 CE LYS A 54 -12.605 8.924 -7.392 1.00 0.00 C ATOM 846 NZ LYS A 54 -13.162 10.137 -6.731 1.00 0.00 N ATOM 0 H LYS A 54 -10.684 3.792 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.889 5.249 -6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.276 4.845 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.836 6.294 -4.571 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.399 6.334 -7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.060 6.387 -6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.264 8.268 -5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.811 8.338 -6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.924 9.213 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.407 8.346 -7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.663 10.717 -7.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.825 9.851 -5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.387 10.692 -6.314 1.00 0.00 H new ATOM 860 N SER A 55 -9.549 6.678 -3.653 1.00 0.00 N ATOM 861 CA SER A 55 -8.755 7.719 -2.938 1.00 0.00 C ATOM 862 C SER A 55 -8.138 7.113 -1.675 1.00 0.00 C ATOM 863 O SER A 55 -8.322 5.949 -1.381 1.00 0.00 O ATOM 864 CB SER A 55 -9.670 8.881 -2.551 1.00 0.00 C ATOM 865 OG SER A 55 -10.211 9.464 -3.730 1.00 0.00 O ATOM 0 H SER A 55 -10.253 6.207 -3.085 1.00 0.00 H new ATOM 0 HA SER A 55 -7.962 8.083 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.473 8.527 -1.905 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.111 9.627 -1.986 1.00 0.00 H new ATOM 0 HG SER A 55 -10.800 10.209 -3.486 1.00 0.00 H new ATOM 871 N GLY A 56 -7.406 7.902 -0.929 1.00 0.00 N ATOM 872 CA GLY A 56 -6.768 7.387 0.320 1.00 0.00 C ATOM 873 C GLY A 56 -7.844 6.886 1.288 1.00 0.00 C ATOM 874 O GLY A 56 -7.601 6.011 2.099 1.00 0.00 O ATOM 0 H GLY A 56 -7.222 8.884 -1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -6.078 6.578 0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.182 8.176 0.791 1.00 0.00 H new ATOM 878 N ALA A 57 -9.034 7.431 1.208 1.00 0.00 N ATOM 879 CA ALA A 57 -10.131 6.990 2.120 1.00 0.00 C ATOM 880 C ALA A 57 -10.430 5.508 1.879 1.00 0.00 C ATOM 881 O ALA A 57 -10.575 4.736 2.809 1.00 0.00 O ATOM 882 CB ALA A 57 -11.389 7.815 1.843 1.00 0.00 C ATOM 0 H ALA A 57 -9.291 8.164 0.548 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.822 7.135 3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.189 7.493 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.177 8.870 2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.698 7.671 0.808 1.00 0.00 H new ATOM 888 N GLU A 58 -10.521 5.109 0.637 1.00 0.00 N ATOM 889 CA GLU A 58 -10.806 3.677 0.322 1.00 0.00 C ATOM 890 C GLU A 58 -9.682 2.787 0.867 1.00 0.00 C ATOM 891 O GLU A 58 -9.865 1.601 1.063 1.00 0.00 O ATOM 892 CB GLU A 58 -10.906 3.500 -1.195 1.00 0.00 C ATOM 893 CG GLU A 58 -11.947 2.424 -1.516 1.00 0.00 C ATOM 894 CD GLU A 58 -12.541 2.686 -2.901 1.00 0.00 C ATOM 895 OE1 GLU A 58 -13.098 3.754 -3.093 1.00 0.00 O ATOM 896 OE2 GLU A 58 -12.431 1.813 -3.747 1.00 0.00 O ATOM 0 H GLU A 58 -10.410 5.715 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.748 3.389 0.788 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.186 4.443 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.936 3.216 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.486 1.437 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.735 2.430 -0.763 1.00 0.00 H new ATOM 903 N ALA A 59 -8.520 3.348 1.110 1.00 0.00 N ATOM 904 CA ALA A 59 -7.386 2.534 1.641 1.00 0.00 C ATOM 905 C ALA A 59 -7.466 2.463 3.170 1.00 0.00 C ATOM 906 O ALA A 59 -6.956 1.542 3.781 1.00 0.00 O ATOM 907 CB ALA A 59 -6.061 3.181 1.231 1.00 0.00 C ATOM 0 H ALA A 59 -8.311 4.335 0.962 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.445 1.526 1.232 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.232 2.588 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.999 3.226 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.007 4.190 1.639 1.00 0.00 H new ATOM 913 N LYS A 60 -8.095 3.431 3.793 1.00 0.00 N ATOM 914 CA LYS A 60 -8.205 3.423 5.282 1.00 0.00 C ATOM 915 C LYS A 60 -9.156 2.307 5.724 1.00 0.00 C ATOM 916 O LYS A 60 -8.883 1.587 6.666 1.00 0.00 O ATOM 917 CB LYS A 60 -8.748 4.773 5.758 1.00 0.00 C ATOM 918 CG LYS A 60 -7.581 5.726 6.029 1.00 0.00 C ATOM 919 CD LYS A 60 -8.011 6.782 7.049 1.00 0.00 C ATOM 920 CE LYS A 60 -6.811 7.172 7.916 1.00 0.00 C ATOM 921 NZ LYS A 60 -6.705 6.232 9.067 1.00 0.00 N ATOM 0 H LYS A 60 -8.537 4.226 3.332 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.220 3.250 5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.410 5.197 5.003 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.340 4.640 6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.723 5.169 6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.267 6.207 5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.403 7.660 6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.814 6.393 7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.896 7.144 7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.926 8.194 8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.890 6.496 9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.574 6.280 9.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.577 5.263 8.713 1.00 0.00 H new ATOM 935 N LYS A 61 -10.271 2.163 5.052 1.00 0.00 N ATOM 936 CA LYS A 61 -11.250 1.098 5.429 1.00 0.00 C ATOM 937 C LYS A 61 -10.591 -0.281 5.302 1.00 0.00 C ATOM 938 O LYS A 61 -10.951 -1.216 5.992 1.00 0.00 O ATOM 939 CB LYS A 61 -12.468 1.171 4.500 1.00 0.00 C ATOM 940 CG LYS A 61 -12.027 0.984 3.045 1.00 0.00 C ATOM 941 CD LYS A 61 -13.227 1.182 2.116 1.00 0.00 C ATOM 942 CE LYS A 61 -13.116 0.229 0.924 1.00 0.00 C ATOM 943 NZ LYS A 61 -14.356 0.313 0.103 1.00 0.00 N ATOM 0 H LYS A 61 -10.546 2.739 4.256 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.568 1.251 6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.190 0.401 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.968 2.132 4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.241 1.698 2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.608 -0.012 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.154 0.996 2.658 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.263 2.214 1.767 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.248 0.488 0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.968 -0.792 1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.260 -0.296 -0.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.169 -0.002 0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.506 1.297 -0.200 1.00 0.00 H new ATOM 957 N LEU A 62 -9.634 -0.411 4.416 1.00 0.00 N ATOM 958 CA LEU A 62 -8.947 -1.723 4.225 1.00 0.00 C ATOM 959 C LEU A 62 -8.342 -2.201 5.562 1.00 0.00 C ATOM 960 O LEU A 62 -7.656 -1.442 6.218 1.00 0.00 O ATOM 961 CB LEU A 62 -7.824 -1.555 3.197 1.00 0.00 C ATOM 962 CG LEU A 62 -8.416 -1.167 1.838 1.00 0.00 C ATOM 963 CD1 LEU A 62 -7.282 -0.918 0.842 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.304 -2.301 1.318 1.00 0.00 C ATOM 0 H LEU A 62 -9.298 0.341 3.814 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.669 -2.460 3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.125 -0.789 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.260 -2.483 3.106 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.013 -0.262 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.702 -0.642 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.648 -0.110 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.687 -1.825 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.723 -2.021 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.709 -3.207 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.113 -2.483 2.025 1.00 0.00 H new ATOM 976 N PRO A 63 -8.599 -3.444 5.940 1.00 0.00 N ATOM 977 CA PRO A 63 -8.072 -4.031 7.213 1.00 0.00 C ATOM 978 C PRO A 63 -6.610 -4.438 7.038 1.00 0.00 C ATOM 979 O PRO A 63 -6.301 -5.455 6.446 1.00 0.00 O ATOM 980 CB PRO A 63 -8.958 -5.245 7.451 1.00 0.00 C ATOM 981 CG PRO A 63 -9.515 -5.661 6.104 1.00 0.00 C ATOM 982 CD PRO A 63 -9.434 -4.447 5.177 1.00 0.00 C ATOM 0 HA PRO A 63 -8.096 -3.334 8.051 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.386 -6.058 7.899 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.764 -5.004 8.143 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.945 -6.495 5.694 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.546 -5.999 6.204 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.972 -4.705 4.224 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.425 -4.051 4.954 1.00 0.00 H new ATOM 990 N GLY A 64 -5.712 -3.636 7.545 1.00 0.00 N ATOM 991 CA GLY A 64 -4.260 -3.946 7.414 1.00 0.00 C ATOM 992 C GLY A 64 -3.477 -2.640 7.255 1.00 0.00 C ATOM 993 O GLY A 64 -2.319 -2.555 7.619 1.00 0.00 O ATOM 0 H GLY A 64 -5.924 -2.774 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.911 -4.488 8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.090 -4.592 6.553 1.00 0.00 H new ATOM 997 N VAL A 65 -4.102 -1.623 6.713 1.00 0.00 N ATOM 998 CA VAL A 65 -3.398 -0.319 6.529 1.00 0.00 C ATOM 999 C VAL A 65 -3.593 0.544 7.777 1.00 0.00 C ATOM 1000 O VAL A 65 -4.671 0.603 8.338 1.00 0.00 O ATOM 1001 CB VAL A 65 -3.978 0.409 5.314 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.154 1.666 5.030 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -3.931 -0.514 4.095 1.00 0.00 C ATOM 0 H VAL A 65 -5.070 -1.641 6.391 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.335 -0.500 6.371 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.011 0.689 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.567 2.184 4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.186 2.326 5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.121 1.385 4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.344 0.005 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.898 -0.795 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.518 -1.411 4.295 1.00 0.00 H new ATOM 1013 N GLY A 66 -2.556 1.211 8.213 1.00 0.00 N ATOM 1014 CA GLY A 66 -2.669 2.073 9.426 1.00 0.00 C ATOM 1015 C GLY A 66 -3.016 3.502 9.007 1.00 0.00 C ATOM 1016 O GLY A 66 -3.759 3.718 8.068 1.00 0.00 O ATOM 0 H GLY A 66 -1.633 1.195 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.437 1.682 10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.731 2.063 9.981 1.00 0.00 H new ATOM 1020 N THR A 67 -2.483 4.477 9.698 1.00 0.00 N ATOM 1021 CA THR A 67 -2.775 5.898 9.349 1.00 0.00 C ATOM 1022 C THR A 67 -1.629 6.469 8.508 1.00 0.00 C ATOM 1023 O THR A 67 -1.824 7.376 7.722 1.00 0.00 O ATOM 1024 CB THR A 67 -2.922 6.717 10.633 1.00 0.00 C ATOM 1025 OG1 THR A 67 -3.063 8.092 10.301 1.00 0.00 O ATOM 1026 CG2 THR A 67 -1.684 6.527 11.509 1.00 0.00 C ATOM 0 H THR A 67 -1.856 4.348 10.492 1.00 0.00 H new ATOM 0 HA THR A 67 -3.701 5.946 8.776 1.00 0.00 H new ATOM 0 HB THR A 67 -3.804 6.381 11.179 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.159 8.619 11.122 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.792 7.112 12.423 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.577 5.473 11.763 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.800 6.861 10.967 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.438 5.947 8.671 1.00 0.00 N ATOM 1035 CA LYS A 68 0.723 6.459 7.885 1.00 0.00 C ATOM 1036 C LYS A 68 0.732 5.813 6.498 1.00 0.00 C ATOM 1037 O LYS A 68 0.994 6.464 5.504 1.00 0.00 O ATOM 1038 CB LYS A 68 2.024 6.115 8.615 1.00 0.00 C ATOM 1039 CG LYS A 68 2.011 6.748 10.008 1.00 0.00 C ATOM 1040 CD LYS A 68 3.374 6.547 10.673 1.00 0.00 C ATOM 1041 CE LYS A 68 3.409 5.183 11.363 1.00 0.00 C ATOM 1042 NZ LYS A 68 4.311 5.249 12.548 1.00 0.00 N ATOM 0 H LYS A 68 -0.221 5.187 9.316 1.00 0.00 H new ATOM 0 HA LYS A 68 0.638 7.541 7.779 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.133 5.033 8.697 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.880 6.479 8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.784 7.812 9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.227 6.297 10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.167 6.610 9.928 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.556 7.339 11.400 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.405 4.894 11.673 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.760 4.421 10.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.335 4.322 13.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.270 5.506 12.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.957 5.965 13.214 1.00 0.00 H new ATOM 1056 N ILE A 69 0.454 4.536 6.426 1.00 0.00 N ATOM 1057 CA ILE A 69 0.451 3.840 5.105 1.00 0.00 C ATOM 1058 C ILE A 69 -0.772 4.269 4.294 1.00 0.00 C ATOM 1059 O ILE A 69 -0.686 4.496 3.102 1.00 0.00 O ATOM 1060 CB ILE A 69 0.404 2.330 5.336 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.553 1.923 6.270 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.528 1.595 3.995 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.910 2.219 5.615 1.00 0.00 C ATOM 0 H ILE A 69 0.229 3.945 7.226 1.00 0.00 H new ATOM 0 HA ILE A 69 1.354 4.103 4.554 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.546 2.060 5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.472 2.464 7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.480 0.861 6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.494 0.519 4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.296 1.885 3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.474 1.858 3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.712 1.924 6.291 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.995 1.658 4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.987 3.286 5.404 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.913 4.374 4.928 1.00 0.00 N ATOM 1076 CA ALA A 70 -3.153 4.780 4.197 1.00 0.00 C ATOM 1077 C ALA A 70 -2.945 6.142 3.525 1.00 0.00 C ATOM 1078 O ALA A 70 -3.198 6.305 2.345 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.320 4.868 5.181 1.00 0.00 C ATOM 0 H ALA A 70 -2.040 4.195 5.924 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.375 4.036 3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.224 5.164 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.476 3.896 5.648 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.093 5.607 5.949 1.00 0.00 H new ATOM 1085 N GLU A 71 -2.482 7.122 4.267 1.00 0.00 N ATOM 1086 CA GLU A 71 -2.252 8.472 3.677 1.00 0.00 C ATOM 1087 C GLU A 71 -1.265 8.361 2.511 1.00 0.00 C ATOM 1088 O GLU A 71 -1.349 9.091 1.541 1.00 0.00 O ATOM 1089 CB GLU A 71 -1.686 9.413 4.744 1.00 0.00 C ATOM 1090 CG GLU A 71 -0.413 8.811 5.344 1.00 0.00 C ATOM 1091 CD GLU A 71 0.226 9.820 6.299 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -0.496 10.381 7.107 1.00 0.00 O ATOM 1093 OE2 GLU A 71 1.427 10.015 6.206 1.00 0.00 O ATOM 0 H GLU A 71 -2.254 7.040 5.258 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.198 8.872 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.467 10.386 4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.426 9.576 5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.649 7.890 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.288 8.550 4.551 1.00 0.00 H new ATOM 1100 N LYS A 72 -0.338 7.441 2.600 1.00 0.00 N ATOM 1101 CA LYS A 72 0.655 7.261 1.501 1.00 0.00 C ATOM 1102 C LYS A 72 -0.078 6.801 0.240 1.00 0.00 C ATOM 1103 O LYS A 72 0.299 7.140 -0.868 1.00 0.00 O ATOM 1104 CB LYS A 72 1.688 6.209 1.907 1.00 0.00 C ATOM 1105 CG LYS A 72 2.889 6.898 2.559 1.00 0.00 C ATOM 1106 CD LYS A 72 3.934 7.223 1.491 1.00 0.00 C ATOM 1107 CE LYS A 72 5.327 7.220 2.122 1.00 0.00 C ATOM 1108 NZ LYS A 72 5.349 8.156 3.282 1.00 0.00 N ATOM 0 H LYS A 72 -0.227 6.805 3.390 1.00 0.00 H new ATOM 0 HA LYS A 72 1.165 8.205 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.243 5.496 2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.010 5.644 1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.569 7.812 3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.322 6.251 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.886 6.490 0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.726 8.197 1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.588 6.213 2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.072 7.519 1.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.334 8.338 3.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.895 9.052 3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.834 7.732 4.080 1.00 0.00 H new ATOM 1122 N ILE A 73 -1.132 6.036 0.401 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.907 5.557 -0.784 1.00 0.00 C ATOM 1124 C ILE A 73 -2.492 6.769 -1.513 1.00 0.00 C ATOM 1125 O ILE A 73 -2.458 6.851 -2.725 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.043 4.636 -0.322 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.473 3.479 0.517 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.779 4.071 -1.541 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.474 2.659 -0.311 1.00 0.00 C ATOM 0 H ILE A 73 -1.488 5.723 1.304 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.251 5.002 -1.454 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.740 5.211 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.981 3.874 1.406 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.284 2.837 0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.585 3.417 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.195 4.891 -2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.081 3.503 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.080 1.844 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.978 2.248 -1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.654 3.301 -0.633 1.00 0.00 H new ATOM 1141 N ASP A 74 -3.017 7.717 -0.775 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.599 8.940 -1.407 1.00 0.00 C ATOM 1143 C ASP A 74 -2.522 9.644 -2.238 1.00 0.00 C ATOM 1144 O ASP A 74 -2.796 10.194 -3.288 1.00 0.00 O ATOM 1145 CB ASP A 74 -4.103 9.887 -0.317 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.092 10.884 -0.923 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -4.799 11.407 -1.986 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -6.125 11.108 -0.314 1.00 0.00 O ATOM 0 H ASP A 74 -3.067 7.695 0.244 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.430 8.656 -2.053 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.585 9.319 0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.265 10.419 0.134 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.295 9.615 -1.777 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.188 10.266 -2.539 1.00 0.00 C ATOM 1155 C GLU A 75 -0.026 9.552 -3.884 1.00 0.00 C ATOM 1156 O GLU A 75 0.349 10.149 -4.874 1.00 0.00 O ATOM 1157 CB GLU A 75 1.115 10.159 -1.743 1.00 0.00 C ATOM 1158 CG GLU A 75 1.045 11.080 -0.524 1.00 0.00 C ATOM 1159 CD GLU A 75 2.463 11.427 -0.065 1.00 0.00 C ATOM 1160 OE1 GLU A 75 3.238 10.509 0.144 1.00 0.00 O ATOM 1161 OE2 GLU A 75 2.748 12.606 0.071 1.00 0.00 O ATOM 0 H GLU A 75 -1.014 9.168 -0.905 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.421 11.318 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.276 9.129 -1.425 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.962 10.434 -2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.499 11.990 -0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.499 10.592 0.283 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.320 8.277 -3.920 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.205 7.508 -5.192 1.00 0.00 C ATOM 1170 C PHE A 76 -1.266 7.999 -6.173 1.00 0.00 C ATOM 1171 O PHE A 76 -0.989 8.271 -7.325 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.444 6.019 -4.899 1.00 0.00 C ATOM 1173 CG PHE A 76 0.838 5.251 -5.070 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.787 5.249 -4.047 1.00 0.00 C ATOM 1175 CD2 PHE A 76 1.072 4.545 -6.252 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.981 4.534 -4.204 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.264 3.829 -6.413 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.220 3.823 -5.387 1.00 0.00 C ATOM 0 H PHE A 76 -0.637 7.734 -3.117 1.00 0.00 H new ATOM 0 HA PHE A 76 0.787 7.649 -5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.820 5.895 -3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.206 5.625 -5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.601 5.798 -3.136 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.334 4.551 -7.041 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.717 4.531 -3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.447 3.282 -7.326 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.140 3.271 -5.509 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.481 8.090 -5.714 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.592 8.537 -6.594 1.00 0.00 C ATOM 1190 C LEU A 77 -3.498 10.048 -6.833 1.00 0.00 C ATOM 1191 O LEU A 77 -3.965 10.551 -7.840 1.00 0.00 O ATOM 1192 CB LEU A 77 -4.927 8.210 -5.913 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.237 6.702 -5.978 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.192 6.202 -7.425 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.218 5.928 -5.139 1.00 0.00 C ATOM 0 H LEU A 77 -2.754 7.871 -4.756 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.525 8.023 -7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.895 8.532 -4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.729 8.769 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.239 6.538 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.414 5.135 -7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.931 6.739 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.199 6.375 -7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.441 4.862 -5.188 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.216 6.107 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.271 6.263 -4.103 1.00 0.00 H new ATOM 1207 N ALA A 78 -2.906 10.777 -5.919 1.00 0.00 N ATOM 1208 CA ALA A 78 -2.790 12.256 -6.093 1.00 0.00 C ATOM 1209 C ALA A 78 -1.962 12.566 -7.348 1.00 0.00 C ATOM 1210 O ALA A 78 -2.504 12.866 -8.395 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.113 12.864 -4.860 1.00 0.00 C ATOM 0 H ALA A 78 -2.498 10.410 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.785 12.687 -6.207 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.028 13.943 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.710 12.648 -3.974 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.119 12.433 -4.741 1.00 0.00 H new ATOM 1217 N THR A 79 -0.657 12.493 -7.251 1.00 0.00 N ATOM 1218 CA THR A 79 0.207 12.781 -8.433 1.00 0.00 C ATOM 1219 C THR A 79 1.171 11.615 -8.656 1.00 0.00 C ATOM 1220 O THR A 79 1.138 10.958 -9.680 1.00 0.00 O ATOM 1221 CB THR A 79 1.005 14.062 -8.182 1.00 0.00 C ATOM 1222 OG1 THR A 79 1.522 14.044 -6.858 1.00 0.00 O ATOM 1223 CG2 THR A 79 0.094 15.278 -8.359 1.00 0.00 C ATOM 0 H THR A 79 -0.153 12.245 -6.399 1.00 0.00 H new ATOM 0 HA THR A 79 -0.418 12.910 -9.317 1.00 0.00 H new ATOM 0 HB THR A 79 1.828 14.122 -8.894 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.035 14.863 -6.696 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.665 16.189 -8.180 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.302 15.291 -9.375 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.731 15.221 -7.649 1.00 0.00 H new