USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 713 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 37 LYS NZ :NH3+ -176:sc= 0.657 (180deg=0.647) USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= -0.379 USER MOD Set 2.1: A 33 TYR OH : rot -178:sc= -1.27 USER MOD Set 2.2: A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.0206 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 13:sc= -0.495 USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= -3.5! (180deg=-5.63!) USER MOD Single : A 27 LYS NZ :NH3+ 159:sc= -0.0296 (180deg=-0.607) USER MOD Single : A 28 SER OG : rot 28:sc= 0.607 USER MOD Single : A 39 GLN : amide:sc= -1.99 K(o=-2,f=-4.6!) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.218 USER MOD Single : A 43 SER OG : rot 180:sc= -0.934 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 27:sc= 0.106 USER MOD Single : A 65 LYS NZ :NH3+ -141:sc= 0.00416 (180deg=-0.00573) USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= -0.0455 (180deg=-0.346) USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 92 MET CE :methyl -138:sc= -0.161 (180deg=-1.22) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.918 F(o=-1.7!,f=-0.92) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl -176:sc= 0 (180deg=-0.00465) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 110 N LEU A 10 -3.112 6.470 6.342 1.00 0.00 N ATOM 111 CA LEU A 10 -2.558 5.121 6.306 1.00 0.00 C ATOM 112 C LEU A 10 -1.104 5.142 5.846 1.00 0.00 C ATOM 113 O LEU A 10 -0.821 5.286 4.656 1.00 0.00 O ATOM 114 CB LEU A 10 -3.386 4.233 5.377 1.00 0.00 C ATOM 115 CG LEU A 10 -2.767 2.884 5.010 1.00 0.00 C ATOM 116 CD1 LEU A 10 -2.916 1.898 6.158 1.00 0.00 C ATOM 117 CD2 LEU A 10 -3.404 2.331 3.743 1.00 0.00 C ATOM 0 HA LEU A 10 -2.594 4.713 7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.352 4.051 5.847 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.578 4.784 4.457 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.704 3.033 4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.470 0.944 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.412 2.289 7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.974 1.753 6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.951 1.371 3.497 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.474 2.197 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.244 3.029 2.921 1.00 0.00 H new ATOM 129 N CYS A 11 -0.186 4.997 6.795 1.00 0.00 N ATOM 130 CA CYS A 11 1.240 4.998 6.487 1.00 0.00 C ATOM 131 C CYS A 11 1.988 4.005 7.371 1.00 0.00 C ATOM 132 O CYS A 11 1.483 3.580 8.409 1.00 0.00 O ATOM 133 CB CYS A 11 1.821 6.401 6.668 1.00 0.00 C ATOM 134 SG CYS A 11 1.637 7.065 8.340 1.00 0.00 S ATOM 0 H CYS A 11 -0.403 4.877 7.784 1.00 0.00 H new ATOM 0 HA CYS A 11 1.363 4.694 5.447 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.880 6.380 6.411 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.336 7.077 5.964 1.00 0.00 H new ATOM 0 HG CYS A 11 2.160 8.254 8.395 1.00 0.00 H new ATOM 140 N GLY A 12 3.195 3.639 6.951 1.00 0.00 N ATOM 141 CA GLY A 12 3.993 2.698 7.715 1.00 0.00 C ATOM 142 C GLY A 12 5.209 2.214 6.951 1.00 0.00 C ATOM 143 O GLY A 12 5.258 2.308 5.724 1.00 0.00 O ATOM 0 H GLY A 12 3.635 3.977 6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.315 3.170 8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.376 1.842 7.990 1.00 0.00 H new ATOM 147 N TYR A 13 6.194 1.696 7.676 1.00 0.00 N ATOM 148 CA TYR A 13 7.418 1.199 7.059 1.00 0.00 C ATOM 149 C TYR A 13 7.256 -0.252 6.619 1.00 0.00 C ATOM 150 O TYR A 13 6.779 -1.095 7.381 1.00 0.00 O ATOM 151 CB TYR A 13 8.591 1.321 8.034 1.00 0.00 C ATOM 152 CG TYR A 13 9.099 2.735 8.196 1.00 0.00 C ATOM 153 CD1 TYR A 13 10.040 3.262 7.319 1.00 0.00 C ATOM 154 CD2 TYR A 13 8.638 3.546 9.226 1.00 0.00 C ATOM 155 CE1 TYR A 13 10.507 4.553 7.464 1.00 0.00 C ATOM 156 CE2 TYR A 13 9.099 4.840 9.378 1.00 0.00 C ATOM 157 CZ TYR A 13 10.034 5.338 8.495 1.00 0.00 C ATOM 158 OH TYR A 13 10.497 6.626 8.642 1.00 0.00 O ATOM 0 H TYR A 13 6.169 1.609 8.692 1.00 0.00 H new ATOM 0 HA TYR A 13 7.623 1.806 6.177 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.284 0.940 9.008 1.00 0.00 H new ATOM 0 HB3 TYR A 13 9.408 0.688 7.688 1.00 0.00 H new ATOM 0 HD1 TYR A 13 10.412 2.651 6.510 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.907 3.158 9.920 1.00 0.00 H new ATOM 0 HE1 TYR A 13 11.239 4.946 6.774 1.00 0.00 H new ATOM 0 HE2 TYR A 13 8.729 5.457 10.183 1.00 0.00 H new ATOM 0 HH TYR A 13 10.063 7.043 9.415 1.00 0.00 H new ATOM 168 N LEU A 14 7.657 -0.538 5.385 1.00 0.00 N ATOM 169 CA LEU A 14 7.558 -1.888 4.841 1.00 0.00 C ATOM 170 C LEU A 14 8.874 -2.315 4.200 1.00 0.00 C ATOM 171 O LEU A 14 9.780 -1.501 4.018 1.00 0.00 O ATOM 172 CB LEU A 14 6.428 -1.963 3.812 1.00 0.00 C ATOM 173 CG LEU A 14 5.034 -1.590 4.317 1.00 0.00 C ATOM 174 CD1 LEU A 14 4.012 -1.705 3.197 1.00 0.00 C ATOM 175 CD2 LEU A 14 4.640 -2.470 5.494 1.00 0.00 C ATOM 0 H LEU A 14 8.054 0.147 4.742 1.00 0.00 H new ATOM 0 HA LEU A 14 7.338 -2.569 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.678 -1.306 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.390 -2.978 3.417 1.00 0.00 H new ATOM 0 HG LEU A 14 5.056 -0.554 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.026 -1.436 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.285 -1.032 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.991 -2.730 2.827 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.645 -2.190 5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.635 -3.514 5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.357 -2.337 6.304 1.00 0.00 H new ATOM 187 N SER A 15 8.972 -3.596 3.859 1.00 0.00 N ATOM 188 CA SER A 15 10.179 -4.131 3.239 1.00 0.00 C ATOM 189 C SER A 15 9.874 -4.693 1.854 1.00 0.00 C ATOM 190 O SER A 15 9.213 -5.723 1.720 1.00 0.00 O ATOM 191 CB SER A 15 10.789 -5.222 4.121 1.00 0.00 C ATOM 192 OG SER A 15 12.203 -5.220 4.029 1.00 0.00 O ATOM 0 H SER A 15 8.231 -4.282 4.001 1.00 0.00 H new ATOM 0 HA SER A 15 10.895 -3.316 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.489 -5.067 5.157 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.403 -6.196 3.820 1.00 0.00 H new ATOM 0 HG SER A 15 12.501 -4.400 3.583 1.00 0.00 H new ATOM 198 N LYS A 16 10.361 -4.009 0.824 1.00 0.00 N ATOM 199 CA LYS A 16 10.144 -4.438 -0.552 1.00 0.00 C ATOM 200 C LYS A 16 11.247 -5.389 -1.006 1.00 0.00 C ATOM 201 O LYS A 16 12.335 -4.956 -1.388 1.00 0.00 O ATOM 202 CB LYS A 16 10.087 -3.225 -1.483 1.00 0.00 C ATOM 203 CG LYS A 16 9.132 -3.399 -2.651 1.00 0.00 C ATOM 204 CD LYS A 16 8.720 -2.059 -3.239 1.00 0.00 C ATOM 205 CE LYS A 16 9.635 -1.648 -4.383 1.00 0.00 C ATOM 206 NZ LYS A 16 9.258 -2.312 -5.661 1.00 0.00 N ATOM 0 H LYS A 16 10.909 -3.154 0.917 1.00 0.00 H new ATOM 0 HA LYS A 16 9.192 -4.967 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.788 -2.349 -0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.087 -3.026 -1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.606 -4.006 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.246 -3.940 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.692 -2.118 -3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.743 -1.296 -2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.594 -0.566 -4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.665 -1.901 -4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.097 -2.395 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.880 -3.260 -5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.533 -1.745 -6.146 1.00 0.00 H new ATOM 220 N PHE A 17 10.959 -6.685 -0.964 1.00 0.00 N ATOM 221 CA PHE A 17 11.926 -7.697 -1.371 1.00 0.00 C ATOM 222 C PHE A 17 12.588 -7.316 -2.692 1.00 0.00 C ATOM 223 O PHE A 17 11.932 -6.823 -3.609 1.00 0.00 O ATOM 224 CB PHE A 17 11.245 -9.061 -1.504 1.00 0.00 C ATOM 225 CG PHE A 17 12.146 -10.131 -2.051 1.00 0.00 C ATOM 226 CD1 PHE A 17 13.232 -10.581 -1.319 1.00 0.00 C ATOM 227 CD2 PHE A 17 11.905 -10.686 -3.297 1.00 0.00 C ATOM 228 CE1 PHE A 17 14.063 -11.565 -1.821 1.00 0.00 C ATOM 229 CE2 PHE A 17 12.733 -11.671 -3.804 1.00 0.00 C ATOM 230 CZ PHE A 17 13.813 -12.111 -3.065 1.00 0.00 C ATOM 0 H PHE A 17 10.063 -7.060 -0.652 1.00 0.00 H new ATOM 0 HA PHE A 17 12.696 -7.757 -0.602 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.878 -9.372 -0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.376 -8.962 -2.154 1.00 0.00 H new ATOM 0 HD1 PHE A 17 13.432 -10.159 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.061 -10.346 -3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 17 14.907 -11.907 -1.241 1.00 0.00 H new ATOM 0 HE2 PHE A 17 12.535 -12.096 -4.777 1.00 0.00 H new ATOM 0 HZ PHE A 17 14.461 -12.880 -3.459 1.00 0.00 H new ATOM 347 N TRP A 26 15.866 -7.933 0.968 1.00 0.00 N ATOM 348 CA TRP A 26 14.900 -6.967 1.480 1.00 0.00 C ATOM 349 C TRP A 26 15.577 -5.638 1.800 1.00 0.00 C ATOM 350 O TRP A 26 16.794 -5.577 1.977 1.00 0.00 O ATOM 351 CB TRP A 26 14.211 -7.517 2.730 1.00 0.00 C ATOM 352 CG TRP A 26 13.480 -8.802 2.488 1.00 0.00 C ATOM 353 CD1 TRP A 26 14.010 -10.061 2.494 1.00 0.00 C ATOM 354 CD2 TRP A 26 12.085 -8.954 2.202 1.00 0.00 C ATOM 355 NE1 TRP A 26 13.029 -10.986 2.229 1.00 0.00 N ATOM 356 CE2 TRP A 26 11.839 -10.333 2.047 1.00 0.00 C ATOM 357 CE3 TRP A 26 11.020 -8.061 2.064 1.00 0.00 C ATOM 358 CZ2 TRP A 26 10.573 -10.835 1.761 1.00 0.00 C ATOM 359 CZ3 TRP A 26 9.763 -8.561 1.780 1.00 0.00 C ATOM 360 CH2 TRP A 26 9.548 -9.937 1.631 1.00 0.00 C ATOM 0 HA TRP A 26 14.151 -6.795 0.707 1.00 0.00 H new ATOM 0 HB2 TRP A 26 14.958 -7.673 3.509 1.00 0.00 H new ATOM 0 HB3 TRP A 26 13.509 -6.773 3.106 1.00 0.00 H new ATOM 0 HD1 TRP A 26 15.048 -10.295 2.680 1.00 0.00 H new ATOM 0 HE1 TRP A 26 13.165 -11.996 2.176 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.176 -6.998 2.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 10.405 -11.896 1.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.933 -7.879 1.671 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.554 -10.297 1.409 1.00 0.00 H new ATOM 371 N LYS A 27 14.781 -4.577 1.874 1.00 0.00 N ATOM 372 CA LYS A 27 15.303 -3.249 2.174 1.00 0.00 C ATOM 373 C LYS A 27 14.291 -2.436 2.976 1.00 0.00 C ATOM 374 O LYS A 27 13.083 -2.639 2.856 1.00 0.00 O ATOM 375 CB LYS A 27 15.655 -2.511 0.880 1.00 0.00 C ATOM 376 CG LYS A 27 14.446 -1.943 0.156 1.00 0.00 C ATOM 377 CD LYS A 27 13.858 -2.948 -0.820 1.00 0.00 C ATOM 378 CE LYS A 27 14.479 -2.813 -2.202 1.00 0.00 C ATOM 379 NZ LYS A 27 15.676 -3.685 -2.360 1.00 0.00 N ATOM 0 H LYS A 27 13.772 -4.611 1.730 1.00 0.00 H new ATOM 0 HA LYS A 27 16.206 -3.368 2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.345 -1.699 1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.180 -3.195 0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.687 -1.654 0.884 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.734 -1.039 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.020 -3.958 -0.445 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.780 -2.802 -0.889 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.739 -3.071 -2.959 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.761 -1.774 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.857 -3.846 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.502 -3.222 -1.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.506 -4.597 -1.890 1.00 0.00 H new ATOM 393 N SER A 28 14.793 -1.514 3.792 1.00 0.00 N ATOM 394 CA SER A 28 13.933 -0.672 4.615 1.00 0.00 C ATOM 395 C SER A 28 13.435 0.533 3.824 1.00 0.00 C ATOM 396 O SER A 28 14.218 1.396 3.428 1.00 0.00 O ATOM 397 CB SER A 28 14.686 -0.202 5.862 1.00 0.00 C ATOM 398 OG SER A 28 15.829 0.557 5.511 1.00 0.00 O ATOM 0 H SER A 28 15.791 -1.331 3.901 1.00 0.00 H new ATOM 0 HA SER A 28 13.071 -1.265 4.921 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.024 0.399 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.987 -1.065 6.456 1.00 0.00 H new ATOM 0 HG SER A 28 15.676 0.999 4.650 1.00 0.00 H new ATOM 404 N ARG A 29 12.126 0.584 3.597 1.00 0.00 N ATOM 405 CA ARG A 29 11.522 1.681 2.852 1.00 0.00 C ATOM 406 C ARG A 29 10.261 2.183 3.549 1.00 0.00 C ATOM 407 O ARG A 29 9.570 1.421 4.226 1.00 0.00 O ATOM 408 CB ARG A 29 11.187 1.235 1.427 1.00 0.00 C ATOM 409 CG ARG A 29 12.330 1.426 0.444 1.00 0.00 C ATOM 410 CD ARG A 29 12.497 2.888 0.061 1.00 0.00 C ATOM 411 NE ARG A 29 13.210 3.045 -1.204 1.00 0.00 N ATOM 412 CZ ARG A 29 14.513 2.832 -1.345 1.00 0.00 C ATOM 413 NH1 ARG A 29 15.243 2.455 -0.303 1.00 0.00 N ATOM 414 NH2 ARG A 29 15.090 2.995 -2.529 1.00 0.00 N ATOM 0 H ARG A 29 11.464 -0.122 3.919 1.00 0.00 H new ATOM 0 HA ARG A 29 12.242 2.498 2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.904 0.182 1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.319 1.793 1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.256 1.056 0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.144 0.833 -0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.516 3.357 -0.015 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.039 3.410 0.850 1.00 0.00 H new ATOM 0 HE ARG A 29 12.678 3.334 -2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 29 14.803 2.328 0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.244 2.292 -0.414 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.532 3.284 -3.333 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.091 2.831 -2.635 1.00 0.00 H new ATOM 428 N TRP A 30 9.969 3.467 3.380 1.00 0.00 N ATOM 429 CA TRP A 30 8.791 4.070 3.994 1.00 0.00 C ATOM 430 C TRP A 30 7.635 4.140 3.002 1.00 0.00 C ATOM 431 O TRP A 30 7.801 4.602 1.873 1.00 0.00 O ATOM 432 CB TRP A 30 9.121 5.471 4.511 1.00 0.00 C ATOM 433 CG TRP A 30 7.906 6.283 4.844 1.00 0.00 C ATOM 434 CD1 TRP A 30 7.385 7.315 4.117 1.00 0.00 C ATOM 435 CD2 TRP A 30 7.062 6.131 5.991 1.00 0.00 C ATOM 436 NE1 TRP A 30 6.268 7.814 4.743 1.00 0.00 N ATOM 437 CE2 TRP A 30 6.048 7.104 5.893 1.00 0.00 C ATOM 438 CE3 TRP A 30 7.062 5.267 7.089 1.00 0.00 C ATOM 439 CZ2 TRP A 30 5.048 7.235 6.853 1.00 0.00 C ATOM 440 CZ3 TRP A 30 6.069 5.398 8.040 1.00 0.00 C ATOM 441 CH2 TRP A 30 5.073 6.376 7.917 1.00 0.00 C ATOM 0 H TRP A 30 10.531 4.111 2.823 1.00 0.00 H new ATOM 0 HA TRP A 30 8.488 3.443 4.832 1.00 0.00 H new ATOM 0 HB2 TRP A 30 9.746 5.385 5.400 1.00 0.00 H new ATOM 0 HB3 TRP A 30 9.707 5.999 3.759 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.791 7.685 3.187 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.696 8.588 4.406 1.00 0.00 H new ATOM 0 HE3 TRP A 30 7.825 4.510 7.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.280 7.988 6.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 6.060 4.735 8.893 1.00 0.00 H new ATOM 0 HH2 TRP A 30 4.310 6.453 8.677 1.00 0.00 H new ATOM 452 N PHE A 31 6.465 3.679 3.430 1.00 0.00 N ATOM 453 CA PHE A 31 5.281 3.689 2.578 1.00 0.00 C ATOM 454 C PHE A 31 4.177 4.545 3.192 1.00 0.00 C ATOM 455 O PHE A 31 4.073 4.663 4.413 1.00 0.00 O ATOM 456 CB PHE A 31 4.774 2.263 2.358 1.00 0.00 C ATOM 457 CG PHE A 31 5.730 1.399 1.586 1.00 0.00 C ATOM 458 CD1 PHE A 31 6.969 1.072 2.114 1.00 0.00 C ATOM 459 CD2 PHE A 31 5.390 0.912 0.334 1.00 0.00 C ATOM 460 CE1 PHE A 31 7.851 0.278 1.406 1.00 0.00 C ATOM 461 CE2 PHE A 31 6.268 0.117 -0.378 1.00 0.00 C ATOM 462 CZ PHE A 31 7.500 -0.201 0.159 1.00 0.00 C ATOM 0 H PHE A 31 6.311 3.294 4.362 1.00 0.00 H new ATOM 0 HA PHE A 31 5.559 4.121 1.616 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.580 1.801 3.326 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.823 2.302 1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.248 1.442 3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.427 1.157 -0.090 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.814 0.032 1.828 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.991 -0.255 -1.353 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.188 -0.823 -0.395 1.00 0.00 H new ATOM 472 N PHE A 32 3.354 5.141 2.335 1.00 0.00 N ATOM 473 CA PHE A 32 2.258 5.987 2.791 1.00 0.00 C ATOM 474 C PHE A 32 1.211 6.161 1.694 1.00 0.00 C ATOM 475 O PHE A 32 1.541 6.474 0.550 1.00 0.00 O ATOM 476 CB PHE A 32 2.788 7.355 3.226 1.00 0.00 C ATOM 477 CG PHE A 32 3.130 8.259 2.076 1.00 0.00 C ATOM 478 CD1 PHE A 32 2.137 8.956 1.407 1.00 0.00 C ATOM 479 CD2 PHE A 32 4.444 8.410 1.664 1.00 0.00 C ATOM 480 CE1 PHE A 32 2.448 9.789 0.349 1.00 0.00 C ATOM 481 CE2 PHE A 32 4.761 9.242 0.607 1.00 0.00 C ATOM 482 CZ PHE A 32 3.762 9.931 -0.053 1.00 0.00 C ATOM 0 H PHE A 32 3.426 5.053 1.321 1.00 0.00 H new ATOM 0 HA PHE A 32 1.787 5.499 3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.041 7.843 3.852 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.676 7.213 3.842 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.108 8.847 1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.229 7.872 2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.665 10.328 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.790 9.353 0.297 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.008 10.579 -0.881 1.00 0.00 H new ATOM 492 N TYR A 33 -0.051 5.954 2.052 1.00 0.00 N ATOM 493 CA TYR A 33 -1.147 6.084 1.098 1.00 0.00 C ATOM 494 C TYR A 33 -1.550 7.545 0.928 1.00 0.00 C ATOM 495 O TYR A 33 -1.828 8.242 1.904 1.00 0.00 O ATOM 496 CB TYR A 33 -2.351 5.261 1.557 1.00 0.00 C ATOM 497 CG TYR A 33 -3.593 5.488 0.725 1.00 0.00 C ATOM 498 CD1 TYR A 33 -4.502 6.484 1.056 1.00 0.00 C ATOM 499 CD2 TYR A 33 -3.857 4.705 -0.392 1.00 0.00 C ATOM 500 CE1 TYR A 33 -5.639 6.695 0.299 1.00 0.00 C ATOM 501 CE2 TYR A 33 -4.989 4.910 -1.156 1.00 0.00 C ATOM 502 CZ TYR A 33 -5.877 5.906 -0.806 1.00 0.00 C ATOM 503 OH TYR A 33 -7.007 6.111 -1.564 1.00 0.00 O ATOM 0 H TYR A 33 -0.341 5.696 2.995 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.804 5.706 0.135 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.091 4.203 1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.571 5.504 2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.317 7.105 1.920 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.165 3.923 -0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.337 7.473 0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.178 4.294 -2.023 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.040 5.451 -2.288 1.00 0.00 H new ATOM 513 N ASP A 34 -1.580 8.002 -0.319 1.00 0.00 N ATOM 514 CA ASP A 34 -1.952 9.380 -0.620 1.00 0.00 C ATOM 515 C ASP A 34 -3.429 9.477 -0.986 1.00 0.00 C ATOM 516 O ASP A 34 -3.807 9.269 -2.139 1.00 0.00 O ATOM 517 CB ASP A 34 -1.093 9.924 -1.763 1.00 0.00 C ATOM 518 CG ASP A 34 -1.009 11.438 -1.754 1.00 0.00 C ATOM 519 OD1 ASP A 34 -1.654 12.062 -0.886 1.00 0.00 O ATOM 520 OD2 ASP A 34 -0.299 11.998 -2.616 1.00 0.00 O ATOM 0 H ASP A 34 -1.351 7.439 -1.138 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.778 9.981 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.089 9.507 -1.689 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.507 9.592 -2.715 1.00 0.00 H new ATOM 525 N GLU A 35 -4.259 9.794 0.003 1.00 0.00 N ATOM 526 CA GLU A 35 -5.696 9.916 -0.216 1.00 0.00 C ATOM 527 C GLU A 35 -6.007 11.085 -1.147 1.00 0.00 C ATOM 528 O GLU A 35 -7.155 11.291 -1.539 1.00 0.00 O ATOM 529 CB GLU A 35 -6.423 10.104 1.117 1.00 0.00 C ATOM 530 CG GLU A 35 -5.716 11.055 2.067 1.00 0.00 C ATOM 531 CD GLU A 35 -4.714 10.350 2.960 1.00 0.00 C ATOM 532 OE1 GLU A 35 -4.964 9.181 3.323 1.00 0.00 O ATOM 533 OE2 GLU A 35 -3.681 10.966 3.297 1.00 0.00 O ATOM 0 H GLU A 35 -3.962 9.971 0.963 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.046 8.997 -0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.428 10.478 0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.532 9.134 1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.204 11.825 1.490 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.457 11.561 2.687 1.00 0.00 H new ATOM 540 N ARG A 36 -4.975 11.846 -1.496 1.00 0.00 N ATOM 541 CA ARG A 36 -5.137 12.995 -2.378 1.00 0.00 C ATOM 542 C ARG A 36 -5.370 12.546 -3.818 1.00 0.00 C ATOM 543 O ARG A 36 -6.256 13.058 -4.504 1.00 0.00 O ATOM 544 CB ARG A 36 -3.904 13.898 -2.308 1.00 0.00 C ATOM 545 CG ARG A 36 -3.982 14.951 -1.214 1.00 0.00 C ATOM 546 CD ARG A 36 -4.551 16.259 -1.740 1.00 0.00 C ATOM 547 NE ARG A 36 -4.451 17.334 -0.757 1.00 0.00 N ATOM 548 CZ ARG A 36 -5.121 18.477 -0.847 1.00 0.00 C ATOM 549 NH1 ARG A 36 -5.937 18.692 -1.869 1.00 0.00 N ATOM 550 NH2 ARG A 36 -4.977 19.408 0.088 1.00 0.00 N ATOM 0 H ARG A 36 -4.018 11.687 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.009 13.557 -2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.021 13.281 -2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.772 14.394 -3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.605 14.584 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.988 15.125 -0.803 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.019 16.547 -2.647 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.596 16.115 -2.015 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.832 17.200 0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.052 17.979 -2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.450 19.571 -1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.351 19.246 0.877 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.492 20.285 0.018 1.00 0.00 H new ATOM 564 N LYS A 37 -4.569 11.587 -4.270 1.00 0.00 N ATOM 565 CA LYS A 37 -4.687 11.068 -5.628 1.00 0.00 C ATOM 566 C LYS A 37 -5.144 9.613 -5.615 1.00 0.00 C ATOM 567 O LYS A 37 -5.196 8.960 -6.658 1.00 0.00 O ATOM 568 CB LYS A 37 -3.349 11.187 -6.360 1.00 0.00 C ATOM 569 CG LYS A 37 -2.607 12.480 -6.065 1.00 0.00 C ATOM 570 CD LYS A 37 -1.274 12.536 -6.792 1.00 0.00 C ATOM 571 CE LYS A 37 -0.401 13.666 -6.268 1.00 0.00 C ATOM 572 NZ LYS A 37 0.449 13.227 -5.127 1.00 0.00 N ATOM 0 H LYS A 37 -3.831 11.153 -3.716 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.435 11.661 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.717 10.344 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.524 11.115 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.221 13.329 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.441 12.569 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.753 11.586 -6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.446 12.673 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.234 14.037 -7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.033 14.496 -5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.978 14.041 -4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.154 12.834 -4.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.117 12.499 -5.452 1.00 0.00 H new ATOM 586 N CYS A 38 -5.476 9.112 -4.431 1.00 0.00 N ATOM 587 CA CYS A 38 -5.929 7.733 -4.283 1.00 0.00 C ATOM 588 C CYS A 38 -4.862 6.755 -4.763 1.00 0.00 C ATOM 589 O CYS A 38 -5.139 5.865 -5.567 1.00 0.00 O ATOM 590 CB CYS A 38 -7.226 7.515 -5.064 1.00 0.00 C ATOM 591 SG CYS A 38 -8.726 7.845 -4.110 1.00 0.00 S ATOM 0 H CYS A 38 -5.440 9.640 -3.559 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.114 7.549 -3.225 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.220 8.157 -5.945 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.254 6.485 -5.421 1.00 0.00 H new ATOM 0 HG CYS A 38 -9.770 7.635 -4.856 1.00 0.00 H new ATOM 597 N GLN A 39 -3.642 6.929 -4.266 1.00 0.00 N ATOM 598 CA GLN A 39 -2.532 6.062 -4.647 1.00 0.00 C ATOM 599 C GLN A 39 -1.656 5.738 -3.441 1.00 0.00 C ATOM 600 O GLN A 39 -1.875 6.255 -2.345 1.00 0.00 O ATOM 601 CB GLN A 39 -1.692 6.725 -5.739 1.00 0.00 C ATOM 602 CG GLN A 39 -2.463 6.994 -7.021 1.00 0.00 C ATOM 603 CD GLN A 39 -2.395 5.836 -7.997 1.00 0.00 C ATOM 604 OE1 GLN A 39 -3.392 5.157 -8.244 1.00 0.00 O ATOM 605 NE2 GLN A 39 -1.214 5.603 -8.559 1.00 0.00 N ATOM 0 H GLN A 39 -3.397 7.661 -3.600 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.947 5.131 -5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.295 7.667 -5.359 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.838 6.087 -5.966 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.506 7.198 -6.777 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.066 7.890 -7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.413 6.191 -8.326 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.108 4.837 -9.224 1.00 0.00 H new ATOM 614 N LEU A 40 -0.664 4.880 -3.650 1.00 0.00 N ATOM 615 CA LEU A 40 0.246 4.486 -2.580 1.00 0.00 C ATOM 616 C LEU A 40 1.677 4.904 -2.901 1.00 0.00 C ATOM 617 O LEU A 40 2.328 4.316 -3.765 1.00 0.00 O ATOM 618 CB LEU A 40 0.181 2.974 -2.360 1.00 0.00 C ATOM 619 CG LEU A 40 1.174 2.400 -1.348 1.00 0.00 C ATOM 620 CD1 LEU A 40 0.800 2.821 0.064 1.00 0.00 C ATOM 621 CD2 LEU A 40 1.231 0.884 -1.458 1.00 0.00 C ATOM 0 H LEU A 40 -0.469 4.443 -4.551 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.065 4.993 -1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.827 2.717 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.343 2.480 -3.318 1.00 0.00 H new ATOM 0 HG LEU A 40 2.164 2.797 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.518 2.403 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.812 3.909 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.198 2.453 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.942 0.493 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.243 0.467 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.548 0.604 -2.463 1.00 0.00 H new ATOM 633 N TYR A 41 2.162 5.922 -2.199 1.00 0.00 N ATOM 634 CA TYR A 41 3.517 6.419 -2.409 1.00 0.00 C ATOM 635 C TYR A 41 4.456 5.919 -1.317 1.00 0.00 C ATOM 636 O TYR A 41 4.052 5.742 -0.167 1.00 0.00 O ATOM 637 CB TYR A 41 3.522 7.949 -2.441 1.00 0.00 C ATOM 638 CG TYR A 41 2.868 8.531 -3.674 1.00 0.00 C ATOM 639 CD1 TYR A 41 1.487 8.649 -3.762 1.00 0.00 C ATOM 640 CD2 TYR A 41 3.633 8.964 -4.751 1.00 0.00 C ATOM 641 CE1 TYR A 41 0.886 9.179 -4.887 1.00 0.00 C ATOM 642 CE2 TYR A 41 3.040 9.497 -5.879 1.00 0.00 C ATOM 643 CZ TYR A 41 1.666 9.602 -5.943 1.00 0.00 C ATOM 644 OH TYR A 41 1.071 10.133 -7.064 1.00 0.00 O ATOM 0 H TYR A 41 1.637 6.419 -1.480 1.00 0.00 H new ATOM 0 HA TYR A 41 3.871 6.041 -3.368 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.008 8.324 -1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.552 8.302 -2.385 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.873 8.321 -2.937 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.709 8.882 -4.705 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.190 9.262 -4.940 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.649 9.830 -6.707 1.00 0.00 H new ATOM 0 HH TYR A 41 1.761 10.382 -7.714 1.00 0.00 H new ATOM 654 N TYR A 42 5.713 5.694 -1.684 1.00 0.00 N ATOM 655 CA TYR A 42 6.711 5.212 -0.736 1.00 0.00 C ATOM 656 C TYR A 42 8.083 5.807 -1.041 1.00 0.00 C ATOM 657 O TYR A 42 8.511 5.849 -2.194 1.00 0.00 O ATOM 658 CB TYR A 42 6.785 3.685 -0.774 1.00 0.00 C ATOM 659 CG TYR A 42 7.344 3.137 -2.068 1.00 0.00 C ATOM 660 CD1 TYR A 42 8.715 3.074 -2.284 1.00 0.00 C ATOM 661 CD2 TYR A 42 6.501 2.684 -3.075 1.00 0.00 C ATOM 662 CE1 TYR A 42 9.230 2.575 -3.465 1.00 0.00 C ATOM 663 CE2 TYR A 42 7.007 2.182 -4.258 1.00 0.00 C ATOM 664 CZ TYR A 42 8.372 2.130 -4.448 1.00 0.00 C ATOM 665 OH TYR A 42 8.880 1.632 -5.626 1.00 0.00 O ATOM 0 H TYR A 42 6.065 5.838 -2.631 1.00 0.00 H new ATOM 0 HA TYR A 42 6.411 5.530 0.263 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.403 3.339 0.054 1.00 0.00 H new ATOM 0 HB3 TYR A 42 5.786 3.277 -0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.390 3.421 -1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.432 2.725 -2.930 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.298 2.534 -3.617 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.338 1.832 -5.030 1.00 0.00 H new ATOM 0 HH TYR A 42 8.142 1.361 -6.211 1.00 0.00 H new ATOM 675 N SER A 43 8.767 6.265 0.002 1.00 0.00 N ATOM 676 CA SER A 43 10.089 6.860 -0.152 1.00 0.00 C ATOM 677 C SER A 43 11.044 6.348 0.921 1.00 0.00 C ATOM 678 O SER A 43 10.694 5.474 1.714 1.00 0.00 O ATOM 679 CB SER A 43 9.996 8.385 -0.083 1.00 0.00 C ATOM 680 OG SER A 43 11.010 8.994 -0.863 1.00 0.00 O ATOM 0 H SER A 43 8.427 6.235 0.963 1.00 0.00 H new ATOM 0 HA SER A 43 10.479 6.571 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.017 8.709 -0.436 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.085 8.711 0.953 1.00 0.00 H new ATOM 0 HG SER A 43 10.928 9.969 -0.803 1.00 0.00 H new ATOM 686 N ARG A 44 12.254 6.899 0.940 1.00 0.00 N ATOM 687 CA ARG A 44 13.261 6.498 1.915 1.00 0.00 C ATOM 688 C ARG A 44 12.760 6.723 3.339 1.00 0.00 C ATOM 689 O ARG A 44 12.851 5.837 4.189 1.00 0.00 O ATOM 690 CB ARG A 44 14.557 7.278 1.691 1.00 0.00 C ATOM 691 CG ARG A 44 15.391 6.754 0.533 1.00 0.00 C ATOM 692 CD ARG A 44 15.860 5.329 0.785 1.00 0.00 C ATOM 693 NE ARG A 44 17.136 5.049 0.132 1.00 0.00 N ATOM 694 CZ ARG A 44 18.268 5.675 0.433 1.00 0.00 C ATOM 695 NH1 ARG A 44 18.282 6.612 1.371 1.00 0.00 N ATOM 696 NH2 ARG A 44 19.389 5.364 -0.205 1.00 0.00 N ATOM 0 H ARG A 44 12.560 7.624 0.291 1.00 0.00 H new ATOM 0 HA ARG A 44 13.457 5.434 1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.314 8.325 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.154 7.244 2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 44 14.804 6.788 -0.385 1.00 0.00 H new ATOM 0 HG3 ARG A 44 16.255 7.402 0.383 1.00 0.00 H new ATOM 0 HD2 ARG A 44 15.958 5.164 1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.106 4.630 0.423 1.00 0.00 H new ATOM 0 HE ARG A 44 17.159 4.334 -0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.422 6.854 1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 44 19.153 7.091 1.600 1.00 0.00 H new ATOM 0 HH21 ARG A 44 19.382 4.644 -0.927 1.00 0.00 H new ATOM 0 HH22 ARG A 44 20.258 5.845 0.027 1.00 0.00 H new ATOM 710 N THR A 45 12.229 7.916 3.593 1.00 0.00 N ATOM 711 CA THR A 45 11.715 8.258 4.913 1.00 0.00 C ATOM 712 C THR A 45 10.353 8.935 4.814 1.00 0.00 C ATOM 713 O THR A 45 9.843 9.168 3.718 1.00 0.00 O ATOM 714 CB THR A 45 12.683 9.187 5.669 1.00 0.00 C ATOM 715 OG1 THR A 45 12.557 10.528 5.182 1.00 0.00 O ATOM 716 CG2 THR A 45 14.121 8.717 5.508 1.00 0.00 C ATOM 0 H THR A 45 12.144 8.661 2.901 1.00 0.00 H new ATOM 0 HA THR A 45 11.614 7.323 5.465 1.00 0.00 H new ATOM 0 HB THR A 45 12.425 9.160 6.728 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.175 11.112 5.669 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.786 9.389 6.051 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.221 7.707 5.907 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.388 8.718 4.451 1.00 0.00 H new ATOM 787 N PRO A 51 8.209 11.599 -3.073 1.00 0.00 N ATOM 788 CA PRO A 51 8.141 10.136 -3.021 1.00 0.00 C ATOM 789 C PRO A 51 8.916 9.479 -4.158 1.00 0.00 C ATOM 790 O PRO A 51 8.927 9.977 -5.285 1.00 0.00 O ATOM 791 CB PRO A 51 6.645 9.845 -3.156 1.00 0.00 C ATOM 792 CG PRO A 51 6.093 11.025 -3.878 1.00 0.00 C ATOM 793 CD PRO A 51 6.916 12.203 -3.435 1.00 0.00 C ATOM 0 HA PRO A 51 8.585 9.740 -2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.470 8.924 -3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.176 9.723 -2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.158 10.887 -4.957 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.040 11.172 -3.638 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.025 12.939 -4.231 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.461 12.715 -2.588 1.00 0.00 H new ATOM 801 N LEU A 52 9.564 8.359 -3.857 1.00 0.00 N ATOM 802 CA LEU A 52 10.342 7.633 -4.855 1.00 0.00 C ATOM 803 C LEU A 52 9.443 7.107 -5.969 1.00 0.00 C ATOM 804 O LEU A 52 9.667 7.389 -7.146 1.00 0.00 O ATOM 805 CB LEU A 52 11.094 6.473 -4.200 1.00 0.00 C ATOM 806 CG LEU A 52 12.135 6.857 -3.147 1.00 0.00 C ATOM 807 CD1 LEU A 52 12.602 5.627 -2.385 1.00 0.00 C ATOM 808 CD2 LEU A 52 13.315 7.564 -3.798 1.00 0.00 C ATOM 0 H LEU A 52 9.566 7.934 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 52 11.063 8.325 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.364 5.809 -3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.592 5.901 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 52 11.672 7.543 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.342 5.920 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.751 5.162 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.048 4.916 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.046 7.830 -3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.778 6.901 -4.529 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.967 8.468 -4.298 1.00 0.00 H new ATOM 820 N ASP A 53 8.425 6.342 -5.589 1.00 0.00 N ATOM 821 CA ASP A 53 7.490 5.779 -6.556 1.00 0.00 C ATOM 822 C ASP A 53 6.099 5.637 -5.946 1.00 0.00 C ATOM 823 O ASP A 53 5.916 5.815 -4.742 1.00 0.00 O ATOM 824 CB ASP A 53 7.987 4.418 -7.046 1.00 0.00 C ATOM 825 CG ASP A 53 7.075 3.811 -8.094 1.00 0.00 C ATOM 826 OD1 ASP A 53 6.884 4.445 -9.153 1.00 0.00 O ATOM 827 OD2 ASP A 53 6.554 2.702 -7.856 1.00 0.00 O ATOM 0 H ASP A 53 8.227 6.098 -4.619 1.00 0.00 H new ATOM 0 HA ASP A 53 7.428 6.461 -7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.989 4.528 -7.461 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.066 3.737 -6.199 1.00 0.00 H new ATOM 832 N SER A 54 5.120 5.315 -6.787 1.00 0.00 N ATOM 833 CA SER A 54 3.744 5.154 -6.331 1.00 0.00 C ATOM 834 C SER A 54 3.137 3.868 -6.883 1.00 0.00 C ATOM 835 O SER A 54 3.637 3.299 -7.854 1.00 0.00 O ATOM 836 CB SER A 54 2.899 6.355 -6.759 1.00 0.00 C ATOM 837 OG SER A 54 2.662 6.341 -8.157 1.00 0.00 O ATOM 0 H SER A 54 5.254 5.161 -7.786 1.00 0.00 H new ATOM 0 HA SER A 54 3.752 5.094 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.948 6.343 -6.226 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.408 7.278 -6.483 1.00 0.00 H new ATOM 0 HG SER A 54 2.118 7.118 -8.404 1.00 0.00 H new ATOM 843 N ILE A 55 2.055 3.416 -6.258 1.00 0.00 N ATOM 844 CA ILE A 55 1.378 2.198 -6.686 1.00 0.00 C ATOM 845 C ILE A 55 -0.132 2.400 -6.745 1.00 0.00 C ATOM 846 O ILE A 55 -0.763 2.741 -5.745 1.00 0.00 O ATOM 847 CB ILE A 55 1.691 1.020 -5.745 1.00 0.00 C ATOM 848 CG1 ILE A 55 3.202 0.883 -5.547 1.00 0.00 C ATOM 849 CG2 ILE A 55 1.104 -0.270 -6.299 1.00 0.00 C ATOM 850 CD1 ILE A 55 3.737 1.699 -4.392 1.00 0.00 C ATOM 0 H ILE A 55 1.628 3.875 -5.453 1.00 0.00 H new ATOM 0 HA ILE A 55 1.750 1.964 -7.684 1.00 0.00 H new ATOM 0 HB ILE A 55 1.234 1.218 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.445 -0.167 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.709 1.188 -6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.333 -1.094 -5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.023 -0.167 -6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.535 -0.474 -7.279 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.814 1.553 -4.311 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.526 2.754 -4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.257 1.379 -3.467 1.00 0.00 H new ATOM 862 N ASP A 56 -0.706 2.186 -7.924 1.00 0.00 N ATOM 863 CA ASP A 56 -2.143 2.342 -8.114 1.00 0.00 C ATOM 864 C ASP A 56 -2.903 1.170 -7.501 1.00 0.00 C ATOM 865 O ASP A 56 -2.977 0.089 -8.087 1.00 0.00 O ATOM 866 CB ASP A 56 -2.473 2.456 -9.604 1.00 0.00 C ATOM 867 CG ASP A 56 -3.954 2.291 -9.883 1.00 0.00 C ATOM 868 OD1 ASP A 56 -4.757 3.029 -9.276 1.00 0.00 O ATOM 869 OD2 ASP A 56 -4.309 1.424 -10.709 1.00 0.00 O ATOM 0 H ASP A 56 -0.198 1.904 -8.762 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.454 3.257 -7.610 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.143 3.427 -9.973 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.916 1.699 -10.156 1.00 0.00 H new ATOM 874 N LEU A 57 -3.465 1.390 -6.318 1.00 0.00 N ATOM 875 CA LEU A 57 -4.218 0.352 -5.623 1.00 0.00 C ATOM 876 C LEU A 57 -5.570 0.122 -6.291 1.00 0.00 C ATOM 877 O LEU A 57 -6.202 -0.916 -6.094 1.00 0.00 O ATOM 878 CB LEU A 57 -4.419 0.735 -4.156 1.00 0.00 C ATOM 879 CG LEU A 57 -3.179 1.240 -3.418 1.00 0.00 C ATOM 880 CD1 LEU A 57 -3.543 1.696 -2.013 1.00 0.00 C ATOM 881 CD2 LEU A 57 -2.110 0.157 -3.369 1.00 0.00 C ATOM 0 H LEU A 57 -3.414 2.278 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.646 -0.574 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.187 1.507 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.805 -0.135 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.778 2.095 -3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.648 2.052 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.273 2.503 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.969 0.860 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.234 0.534 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.501 -0.717 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.828 -0.122 -4.384 1.00 0.00 H new ATOM 893 N SER A 58 -6.007 1.096 -7.083 1.00 0.00 N ATOM 894 CA SER A 58 -7.285 1.000 -7.779 1.00 0.00 C ATOM 895 C SER A 58 -7.417 -0.343 -8.490 1.00 0.00 C ATOM 896 O SER A 58 -8.502 -0.921 -8.553 1.00 0.00 O ATOM 897 CB SER A 58 -7.426 2.141 -8.789 1.00 0.00 C ATOM 898 OG SER A 58 -8.756 2.234 -9.270 1.00 0.00 O ATOM 0 H SER A 58 -5.495 1.961 -7.259 1.00 0.00 H new ATOM 0 HA SER A 58 -8.081 1.079 -7.039 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.138 3.083 -8.321 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.744 1.978 -9.624 1.00 0.00 H new ATOM 0 HG SER A 58 -8.821 2.971 -9.912 1.00 0.00 H new ATOM 904 N SER A 59 -6.303 -0.835 -9.024 1.00 0.00 N ATOM 905 CA SER A 59 -6.294 -2.109 -9.734 1.00 0.00 C ATOM 906 C SER A 59 -5.212 -3.031 -9.181 1.00 0.00 C ATOM 907 O SER A 59 -4.645 -3.846 -9.908 1.00 0.00 O ATOM 908 CB SER A 59 -6.070 -1.881 -11.230 1.00 0.00 C ATOM 909 OG SER A 59 -7.292 -1.608 -11.893 1.00 0.00 O ATOM 0 H SER A 59 -5.396 -0.371 -8.978 1.00 0.00 H new ATOM 0 HA SER A 59 -7.263 -2.586 -9.587 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.380 -1.049 -11.375 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.603 -2.763 -11.669 1.00 0.00 H new ATOM 0 HG SER A 59 -7.121 -1.464 -12.847 1.00 0.00 H new ATOM 915 N ALA A 60 -4.933 -2.896 -7.889 1.00 0.00 N ATOM 916 CA ALA A 60 -3.921 -3.718 -7.236 1.00 0.00 C ATOM 917 C ALA A 60 -4.561 -4.737 -6.300 1.00 0.00 C ATOM 918 O ALA A 60 -5.540 -4.438 -5.617 1.00 0.00 O ATOM 919 CB ALA A 60 -2.940 -2.841 -6.473 1.00 0.00 C ATOM 0 H ALA A 60 -5.393 -2.225 -7.274 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.379 -4.264 -8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.190 -3.468 -5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.450 -2.156 -7.165 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.476 -2.269 -5.716 1.00 0.00 H new ATOM 925 N VAL A 61 -4.003 -5.943 -6.274 1.00 0.00 N ATOM 926 CA VAL A 61 -4.520 -7.007 -5.421 1.00 0.00 C ATOM 927 C VAL A 61 -3.482 -7.438 -4.391 1.00 0.00 C ATOM 928 O VAL A 61 -2.424 -7.962 -4.741 1.00 0.00 O ATOM 929 CB VAL A 61 -4.946 -8.234 -6.249 1.00 0.00 C ATOM 930 CG1 VAL A 61 -4.093 -8.354 -7.503 1.00 0.00 C ATOM 931 CG2 VAL A 61 -4.857 -9.499 -5.410 1.00 0.00 C ATOM 0 H VAL A 61 -3.193 -6.208 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.393 -6.605 -4.907 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.983 -8.102 -6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.408 -9.226 -8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.213 -7.458 -8.112 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.046 -8.464 -7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.162 -10.356 -6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.831 -9.640 -5.071 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.515 -9.409 -4.546 1.00 0.00 H new ATOM 941 N PHE A 62 -3.792 -7.215 -3.118 1.00 0.00 N ATOM 942 CA PHE A 62 -2.885 -7.581 -2.036 1.00 0.00 C ATOM 943 C PHE A 62 -3.108 -9.027 -1.605 1.00 0.00 C ATOM 944 O PHE A 62 -4.233 -9.433 -1.310 1.00 0.00 O ATOM 945 CB PHE A 62 -3.081 -6.645 -0.841 1.00 0.00 C ATOM 946 CG PHE A 62 -3.555 -5.273 -1.225 1.00 0.00 C ATOM 947 CD1 PHE A 62 -2.749 -4.432 -1.976 1.00 0.00 C ATOM 948 CD2 PHE A 62 -4.806 -4.823 -0.836 1.00 0.00 C ATOM 949 CE1 PHE A 62 -3.182 -3.168 -2.332 1.00 0.00 C ATOM 950 CE2 PHE A 62 -5.245 -3.561 -1.189 1.00 0.00 C ATOM 951 CZ PHE A 62 -4.432 -2.732 -1.937 1.00 0.00 C ATOM 0 H PHE A 62 -4.663 -6.783 -2.811 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.863 -7.483 -2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.801 -7.091 -0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.139 -6.557 -0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.771 -4.768 -2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.446 -5.466 -0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -2.544 -2.523 -2.918 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.223 -3.223 -0.880 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.773 -1.745 -2.213 1.00 0.00 H new ATOM 961 N ASP A 63 -2.029 -9.801 -1.572 1.00 0.00 N ATOM 962 CA ASP A 63 -2.105 -11.203 -1.177 1.00 0.00 C ATOM 963 C ASP A 63 -1.044 -11.531 -0.131 1.00 0.00 C ATOM 964 O ASP A 63 -0.109 -10.759 0.082 1.00 0.00 O ATOM 965 CB ASP A 63 -1.933 -12.109 -2.397 1.00 0.00 C ATOM 966 CG ASP A 63 -2.513 -13.492 -2.178 1.00 0.00 C ATOM 967 OD1 ASP A 63 -3.756 -13.617 -2.156 1.00 0.00 O ATOM 968 OD2 ASP A 63 -1.725 -14.450 -2.028 1.00 0.00 O ATOM 0 H ASP A 63 -1.091 -9.481 -1.814 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.088 -11.379 -0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.416 -11.648 -3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.873 -12.196 -2.634 1.00 0.00 H new ATOM 973 N CYS A 64 -1.196 -12.680 0.518 1.00 0.00 N ATOM 974 CA CYS A 64 -0.252 -13.110 1.543 1.00 0.00 C ATOM 975 C CYS A 64 0.609 -14.265 1.041 1.00 0.00 C ATOM 976 O CYS A 64 0.107 -15.205 0.425 1.00 0.00 O ATOM 977 CB CYS A 64 -0.999 -13.528 2.811 1.00 0.00 C ATOM 978 SG CYS A 64 -2.158 -14.894 2.567 1.00 0.00 S ATOM 0 H CYS A 64 -1.964 -13.331 0.353 1.00 0.00 H new ATOM 0 HA CYS A 64 0.401 -12.269 1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -0.272 -13.814 3.571 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -1.544 -12.668 3.199 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.765 -15.623 1.565 1.00 0.00 H new ATOM 984 N LYS A 65 1.908 -14.186 1.306 1.00 0.00 N ATOM 985 CA LYS A 65 2.840 -15.224 0.881 1.00 0.00 C ATOM 986 C LYS A 65 2.616 -16.512 1.667 1.00 0.00 C ATOM 987 O LYS A 65 1.718 -16.591 2.505 1.00 0.00 O ATOM 988 CB LYS A 65 4.283 -14.748 1.063 1.00 0.00 C ATOM 989 CG LYS A 65 4.841 -14.022 -0.150 1.00 0.00 C ATOM 990 CD LYS A 65 5.166 -14.988 -1.277 1.00 0.00 C ATOM 991 CE LYS A 65 6.544 -15.607 -1.101 1.00 0.00 C ATOM 992 NZ LYS A 65 7.629 -14.671 -1.506 1.00 0.00 N ATOM 0 H LYS A 65 2.340 -13.414 1.813 1.00 0.00 H new ATOM 0 HA LYS A 65 2.661 -15.428 -0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.332 -14.085 1.927 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.915 -15.608 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.118 -13.285 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.741 -13.476 0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.414 -15.776 -1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.121 -14.464 -2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.683 -15.894 -0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.611 -16.519 -1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.378 -15.199 -1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.242 -13.945 -2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.026 -14.214 -0.661 1.00 0.00 H new ATOM 1006 N ALA A 66 3.439 -17.519 1.392 1.00 0.00 N ATOM 1007 CA ALA A 66 3.333 -18.801 2.076 1.00 0.00 C ATOM 1008 C ALA A 66 3.837 -18.701 3.512 1.00 0.00 C ATOM 1009 O ALA A 66 3.279 -19.318 4.420 1.00 0.00 O ATOM 1010 CB ALA A 66 4.105 -19.870 1.317 1.00 0.00 C ATOM 0 H ALA A 66 4.187 -17.471 0.700 1.00 0.00 H new ATOM 0 HA ALA A 66 2.280 -19.082 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.017 -20.822 1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.696 -19.969 0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.155 -19.586 1.256 1.00 0.00 H new ATOM 1016 N ASP A 67 4.894 -17.922 3.710 1.00 0.00 N ATOM 1017 CA ASP A 67 5.473 -17.741 5.036 1.00 0.00 C ATOM 1018 C ASP A 67 4.863 -16.530 5.735 1.00 0.00 C ATOM 1019 O ASP A 67 5.560 -15.774 6.411 1.00 0.00 O ATOM 1020 CB ASP A 67 6.990 -17.576 4.935 1.00 0.00 C ATOM 1021 CG ASP A 67 7.706 -18.900 4.754 1.00 0.00 C ATOM 1022 OD1 ASP A 67 7.749 -19.400 3.610 1.00 0.00 O ATOM 1023 OD2 ASP A 67 8.224 -19.436 5.756 1.00 0.00 O ATOM 0 H ASP A 67 5.368 -17.405 2.969 1.00 0.00 H new ATOM 0 HA ASP A 67 5.250 -18.629 5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.226 -16.921 4.096 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.360 -17.086 5.836 1.00 0.00 H new ATOM 1028 N ALA A 68 3.556 -16.352 5.566 1.00 0.00 N ATOM 1029 CA ALA A 68 2.852 -15.234 6.181 1.00 0.00 C ATOM 1030 C ALA A 68 3.018 -15.247 7.697 1.00 0.00 C ATOM 1031 O ALA A 68 2.763 -14.247 8.367 1.00 0.00 O ATOM 1032 CB ALA A 68 1.377 -15.271 5.810 1.00 0.00 C ATOM 0 H ALA A 68 2.964 -16.968 5.008 1.00 0.00 H new ATOM 0 HA ALA A 68 3.288 -14.310 5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.863 -14.430 6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.272 -15.205 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.937 -16.205 6.161 1.00 0.00 H new ATOM 1038 N GLU A 69 3.447 -16.387 8.231 1.00 0.00 N ATOM 1039 CA GLU A 69 3.645 -16.530 9.668 1.00 0.00 C ATOM 1040 C GLU A 69 4.339 -15.299 10.246 1.00 0.00 C ATOM 1041 O GLU A 69 4.089 -14.913 11.388 1.00 0.00 O ATOM 1042 CB GLU A 69 4.470 -17.783 9.970 1.00 0.00 C ATOM 1043 CG GLU A 69 5.828 -17.796 9.289 1.00 0.00 C ATOM 1044 CD GLU A 69 6.357 -19.200 9.071 1.00 0.00 C ATOM 1045 OE1 GLU A 69 5.707 -19.970 8.334 1.00 0.00 O ATOM 1046 OE2 GLU A 69 7.421 -19.529 9.637 1.00 0.00 O ATOM 0 H GLU A 69 3.664 -17.224 7.690 1.00 0.00 H new ATOM 0 HA GLU A 69 2.665 -16.628 10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.613 -17.863 11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.907 -18.662 9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.754 -17.286 8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.539 -17.233 9.894 1.00 0.00 H new ATOM 1053 N GLU A 70 5.211 -14.690 9.450 1.00 0.00 N ATOM 1054 CA GLU A 70 5.942 -13.505 9.883 1.00 0.00 C ATOM 1055 C GLU A 70 5.189 -12.233 9.504 1.00 0.00 C ATOM 1056 O GLU A 70 5.296 -11.210 10.180 1.00 0.00 O ATOM 1057 CB GLU A 70 7.341 -13.486 9.263 1.00 0.00 C ATOM 1058 CG GLU A 70 8.007 -12.121 9.306 1.00 0.00 C ATOM 1059 CD GLU A 70 9.521 -12.211 9.295 1.00 0.00 C ATOM 1060 OE1 GLU A 70 10.061 -13.038 8.531 1.00 0.00 O ATOM 1061 OE2 GLU A 70 10.165 -11.453 10.050 1.00 0.00 O ATOM 0 H GLU A 70 5.429 -14.997 8.502 1.00 0.00 H new ATOM 0 HA GLU A 70 6.034 -13.543 10.968 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.971 -14.205 9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.274 -13.816 8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.675 -11.532 8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.685 -11.591 10.202 1.00 0.00 H new ATOM 1068 N GLY A 71 4.427 -12.304 8.416 1.00 0.00 N ATOM 1069 CA GLY A 71 3.668 -11.153 7.965 1.00 0.00 C ATOM 1070 C GLY A 71 4.161 -10.619 6.635 1.00 0.00 C ATOM 1071 O GLY A 71 4.505 -9.442 6.520 1.00 0.00 O ATOM 0 H GLY A 71 4.322 -13.139 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.617 -11.427 7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.729 -10.364 8.715 1.00 0.00 H new ATOM 1075 N ILE A 72 4.195 -11.485 5.628 1.00 0.00 N ATOM 1076 CA ILE A 72 4.650 -11.093 4.299 1.00 0.00 C ATOM 1077 C ILE A 72 3.509 -11.152 3.289 1.00 0.00 C ATOM 1078 O ILE A 72 2.752 -12.121 3.247 1.00 0.00 O ATOM 1079 CB ILE A 72 5.800 -11.992 3.810 1.00 0.00 C ATOM 1080 CG1 ILE A 72 6.930 -12.018 4.842 1.00 0.00 C ATOM 1081 CG2 ILE A 72 6.316 -11.507 2.464 1.00 0.00 C ATOM 1082 CD1 ILE A 72 6.617 -12.859 6.060 1.00 0.00 C ATOM 0 H ILE A 72 3.913 -12.462 5.707 1.00 0.00 H new ATOM 0 HA ILE A 72 5.010 -10.067 4.378 1.00 0.00 H new ATOM 0 HB ILE A 72 5.421 -13.007 3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.834 -12.401 4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.144 -10.998 5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.129 -12.153 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.508 -11.535 1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.682 -10.485 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.462 -12.831 6.748 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.731 -12.464 6.557 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.432 -13.889 5.754 1.00 0.00 H new ATOM 1094 N PHE A 73 3.394 -10.108 2.474 1.00 0.00 N ATOM 1095 CA PHE A 73 2.346 -10.040 1.462 1.00 0.00 C ATOM 1096 C PHE A 73 2.921 -9.626 0.111 1.00 0.00 C ATOM 1097 O PHE A 73 4.125 -9.407 -0.022 1.00 0.00 O ATOM 1098 CB PHE A 73 1.258 -9.054 1.890 1.00 0.00 C ATOM 1099 CG PHE A 73 1.791 -7.706 2.284 1.00 0.00 C ATOM 1100 CD1 PHE A 73 2.536 -7.554 3.443 1.00 0.00 C ATOM 1101 CD2 PHE A 73 1.549 -6.593 1.496 1.00 0.00 C ATOM 1102 CE1 PHE A 73 3.027 -6.315 3.808 1.00 0.00 C ATOM 1103 CE2 PHE A 73 2.038 -5.351 1.857 1.00 0.00 C ATOM 1104 CZ PHE A 73 2.779 -5.212 3.014 1.00 0.00 C ATOM 0 H PHE A 73 4.013 -9.298 2.495 1.00 0.00 H new ATOM 0 HA PHE A 73 1.907 -11.033 1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.549 -8.930 1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.706 -9.477 2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.735 -8.413 4.067 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.972 -6.696 0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.605 -6.209 4.714 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.841 -4.491 1.235 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.164 -4.243 3.297 1.00 0.00 H new ATOM 1114 N GLU A 74 2.052 -9.523 -0.889 1.00 0.00 N ATOM 1115 CA GLU A 74 2.473 -9.137 -2.231 1.00 0.00 C ATOM 1116 C GLU A 74 1.366 -8.371 -2.950 1.00 0.00 C ATOM 1117 O GLU A 74 0.203 -8.774 -2.927 1.00 0.00 O ATOM 1118 CB GLU A 74 2.863 -10.374 -3.043 1.00 0.00 C ATOM 1119 CG GLU A 74 4.331 -10.746 -2.918 1.00 0.00 C ATOM 1120 CD GLU A 74 4.571 -12.235 -3.075 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.610 -13.012 -2.897 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.719 -12.623 -3.374 1.00 0.00 O ATOM 0 H GLU A 74 1.052 -9.701 -0.796 1.00 0.00 H new ATOM 0 HA GLU A 74 3.341 -8.484 -2.138 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.254 -11.218 -2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.630 -10.197 -4.093 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.904 -10.208 -3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.702 -10.422 -1.946 1.00 0.00 H new ATOM 1129 N ILE A 75 1.737 -7.266 -3.587 1.00 0.00 N ATOM 1130 CA ILE A 75 0.777 -6.445 -4.313 1.00 0.00 C ATOM 1131 C ILE A 75 0.856 -6.703 -5.814 1.00 0.00 C ATOM 1132 O ILE A 75 1.736 -6.184 -6.500 1.00 0.00 O ATOM 1133 CB ILE A 75 1.007 -4.945 -4.050 1.00 0.00 C ATOM 1134 CG1 ILE A 75 1.053 -4.670 -2.545 1.00 0.00 C ATOM 1135 CG2 ILE A 75 -0.085 -4.117 -4.711 1.00 0.00 C ATOM 1136 CD1 ILE A 75 1.077 -3.197 -2.200 1.00 0.00 C ATOM 0 H ILE A 75 2.696 -6.919 -3.615 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.213 -6.723 -3.950 1.00 0.00 H new ATOM 0 HB ILE A 75 1.965 -4.659 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.186 -5.131 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.937 -5.148 -2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.092 -3.059 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.075 -4.294 -5.786 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.055 -4.404 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.109 -3.077 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.959 -2.734 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.180 -2.717 -2.591 1.00 0.00 H new ATOM 1148 N LYS A 76 -0.073 -7.509 -6.319 1.00 0.00 N ATOM 1149 CA LYS A 76 -0.112 -7.836 -7.739 1.00 0.00 C ATOM 1150 C LYS A 76 -0.807 -6.733 -8.532 1.00 0.00 C ATOM 1151 O LYS A 76 -1.985 -6.446 -8.316 1.00 0.00 O ATOM 1152 CB LYS A 76 -0.833 -9.168 -7.958 1.00 0.00 C ATOM 1153 CG LYS A 76 0.097 -10.368 -7.968 1.00 0.00 C ATOM 1154 CD LYS A 76 0.492 -10.780 -6.559 1.00 0.00 C ATOM 1155 CE LYS A 76 -0.469 -11.812 -5.990 1.00 0.00 C ATOM 1156 NZ LYS A 76 -0.357 -13.121 -6.692 1.00 0.00 N ATOM 0 H LYS A 76 -0.809 -7.947 -5.765 1.00 0.00 H new ATOM 0 HA LYS A 76 0.915 -7.924 -8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.577 -9.302 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.372 -9.129 -8.905 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.392 -11.204 -8.469 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.992 -10.131 -8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.503 -11.188 -6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.509 -9.902 -5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.266 -11.951 -4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.491 -11.442 -6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.705 -13.879 -6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.926 -13.098 -7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.638 -13.301 -6.934 1.00 0.00 H new ATOM 1170 N THR A 77 -0.071 -6.118 -9.453 1.00 0.00 N ATOM 1171 CA THR A 77 -0.617 -5.048 -10.278 1.00 0.00 C ATOM 1172 C THR A 77 -0.335 -5.295 -11.756 1.00 0.00 C ATOM 1173 O THR A 77 0.612 -5.990 -12.124 1.00 0.00 O ATOM 1174 CB THR A 77 -0.036 -3.679 -9.878 1.00 0.00 C ATOM 1175 OG1 THR A 77 1.386 -3.771 -9.740 1.00 0.00 O ATOM 1176 CG2 THR A 77 -0.647 -3.192 -8.573 1.00 0.00 C ATOM 0 H THR A 77 0.905 -6.343 -9.646 1.00 0.00 H new ATOM 0 HA THR A 77 -1.694 -5.040 -10.113 1.00 0.00 H new ATOM 0 HB THR A 77 -0.278 -2.963 -10.663 1.00 0.00 H new ATOM 0 HG1 THR A 77 1.747 -2.896 -9.487 1.00 0.00 H new ATOM 0 HG21 THR A 77 -0.221 -2.223 -8.311 1.00 0.00 H new ATOM 0 HG22 THR A 77 -1.726 -3.094 -8.691 1.00 0.00 H new ATOM 0 HG23 THR A 77 -0.432 -3.909 -7.781 1.00 0.00 H new ATOM 1184 N PRO A 78 -1.175 -4.713 -12.625 1.00 0.00 N ATOM 1185 CA PRO A 78 -1.035 -4.854 -14.077 1.00 0.00 C ATOM 1186 C PRO A 78 0.188 -4.120 -14.616 1.00 0.00 C ATOM 1187 O PRO A 78 0.414 -4.076 -15.825 1.00 0.00 O ATOM 1188 CB PRO A 78 -2.320 -4.224 -14.620 1.00 0.00 C ATOM 1189 CG PRO A 78 -2.745 -3.262 -13.565 1.00 0.00 C ATOM 1190 CD PRO A 78 -2.325 -3.870 -12.256 1.00 0.00 C ATOM 0 HA PRO A 78 -0.895 -5.893 -14.374 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.143 -3.718 -15.569 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.086 -4.979 -14.799 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.275 -2.289 -13.712 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.823 -3.103 -13.593 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.047 -3.107 -11.529 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.127 -4.458 -11.810 1.00 0.00 H new ATOM 1198 N SER A 79 0.974 -3.545 -13.711 1.00 0.00 N ATOM 1199 CA SER A 79 2.173 -2.810 -14.097 1.00 0.00 C ATOM 1200 C SER A 79 3.429 -3.522 -13.604 1.00 0.00 C ATOM 1201 O SER A 79 4.339 -3.808 -14.382 1.00 0.00 O ATOM 1202 CB SER A 79 2.126 -1.387 -13.536 1.00 0.00 C ATOM 1203 OG SER A 79 2.895 -0.501 -14.330 1.00 0.00 O ATOM 0 H SER A 79 0.802 -3.574 -12.706 1.00 0.00 H new ATOM 0 HA SER A 79 2.207 -2.763 -15.185 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.093 -1.042 -13.497 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.502 -1.383 -12.513 1.00 0.00 H new ATOM 0 HG SER A 79 2.848 0.402 -13.952 1.00 0.00 H new ATOM 1209 N ARG A 80 3.471 -3.803 -12.306 1.00 0.00 N ATOM 1210 CA ARG A 80 4.615 -4.480 -11.708 1.00 0.00 C ATOM 1211 C ARG A 80 4.263 -5.025 -10.326 1.00 0.00 C ATOM 1212 O ARG A 80 3.755 -4.299 -9.472 1.00 0.00 O ATOM 1213 CB ARG A 80 5.804 -3.523 -11.603 1.00 0.00 C ATOM 1214 CG ARG A 80 5.592 -2.397 -10.604 1.00 0.00 C ATOM 1215 CD ARG A 80 6.814 -1.496 -10.513 1.00 0.00 C ATOM 1216 NE ARG A 80 6.812 -0.465 -11.547 1.00 0.00 N ATOM 1217 CZ ARG A 80 7.865 0.295 -11.829 1.00 0.00 C ATOM 1218 NH1 ARG A 80 8.998 0.140 -11.158 1.00 0.00 N ATOM 1219 NH2 ARG A 80 7.786 1.211 -12.785 1.00 0.00 N ATOM 0 H ARG A 80 2.726 -3.572 -11.648 1.00 0.00 H new ATOM 0 HA ARG A 80 4.887 -5.317 -12.351 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.691 -4.089 -11.318 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.002 -3.094 -12.585 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.724 -1.807 -10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.374 -2.817 -9.622 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.844 -1.024 -9.531 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.717 -2.100 -10.605 1.00 0.00 H new ATOM 0 HE ARG A 80 5.956 -0.320 -12.082 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.063 -0.564 -10.423 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.804 0.725 -11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.917 1.332 -13.304 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.595 1.794 -13.001 1.00 0.00 H new ATOM 1233 N VAL A 81 4.538 -6.308 -10.114 1.00 0.00 N ATOM 1234 CA VAL A 81 4.251 -6.950 -8.837 1.00 0.00 C ATOM 1235 C VAL A 81 5.246 -6.515 -7.767 1.00 0.00 C ATOM 1236 O VAL A 81 6.429 -6.322 -8.048 1.00 0.00 O ATOM 1237 CB VAL A 81 4.286 -8.485 -8.960 1.00 0.00 C ATOM 1238 CG1 VAL A 81 3.693 -9.134 -7.719 1.00 0.00 C ATOM 1239 CG2 VAL A 81 3.547 -8.936 -10.211 1.00 0.00 C ATOM 0 H VAL A 81 4.959 -6.923 -10.810 1.00 0.00 H new ATOM 0 HA VAL A 81 3.248 -6.639 -8.545 1.00 0.00 H new ATOM 0 HB VAL A 81 5.326 -8.801 -9.045 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.726 -10.218 -7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.269 -8.837 -6.843 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.658 -8.813 -7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.582 -10.023 -10.282 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.509 -8.609 -10.158 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.020 -8.500 -11.090 1.00 0.00 H new ATOM 1249 N ILE A 82 4.759 -6.362 -6.541 1.00 0.00 N ATOM 1250 CA ILE A 82 5.606 -5.951 -5.428 1.00 0.00 C ATOM 1251 C ILE A 82 5.451 -6.895 -4.241 1.00 0.00 C ATOM 1252 O ILE A 82 4.401 -7.511 -4.055 1.00 0.00 O ATOM 1253 CB ILE A 82 5.281 -4.515 -4.974 1.00 0.00 C ATOM 1254 CG1 ILE A 82 5.239 -3.573 -6.178 1.00 0.00 C ATOM 1255 CG2 ILE A 82 6.305 -4.037 -3.956 1.00 0.00 C ATOM 1256 CD1 ILE A 82 6.607 -3.232 -6.726 1.00 0.00 C ATOM 0 H ILE A 82 3.782 -6.516 -6.293 1.00 0.00 H new ATOM 0 HA ILE A 82 6.635 -5.987 -5.785 1.00 0.00 H new ATOM 0 HB ILE A 82 4.299 -4.513 -4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.644 -4.032 -6.968 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.731 -2.652 -5.891 1.00 0.00 H new ATOM 0 HG21 ILE A 82 6.062 -3.021 -3.645 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.290 -4.696 -3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.298 -4.051 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.501 -2.561 -7.578 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.198 -2.744 -5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.109 -4.145 -7.044 1.00 0.00 H new ATOM 1268 N THR A 83 6.505 -7.004 -3.438 1.00 0.00 N ATOM 1269 CA THR A 83 6.487 -7.873 -2.267 1.00 0.00 C ATOM 1270 C THR A 83 6.874 -7.106 -1.008 1.00 0.00 C ATOM 1271 O THR A 83 8.057 -6.910 -0.727 1.00 0.00 O ATOM 1272 CB THR A 83 7.442 -9.069 -2.441 1.00 0.00 C ATOM 1273 OG1 THR A 83 7.093 -9.808 -3.616 1.00 0.00 O ATOM 1274 CG2 THR A 83 7.390 -9.983 -1.226 1.00 0.00 C ATOM 0 H THR A 83 7.382 -6.502 -3.577 1.00 0.00 H new ATOM 0 HA THR A 83 5.467 -8.244 -2.164 1.00 0.00 H new ATOM 0 HB THR A 83 8.457 -8.684 -2.543 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.706 -10.566 -3.720 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.072 -10.821 -1.371 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.685 -9.424 -0.338 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.375 -10.360 -1.097 1.00 0.00 H new ATOM 1282 N LEU A 84 5.871 -6.676 -0.251 1.00 0.00 N ATOM 1283 CA LEU A 84 6.106 -5.931 0.981 1.00 0.00 C ATOM 1284 C LEU A 84 5.769 -6.779 2.203 1.00 0.00 C ATOM 1285 O LEU A 84 4.985 -7.724 2.119 1.00 0.00 O ATOM 1286 CB LEU A 84 5.274 -4.647 0.991 1.00 0.00 C ATOM 1287 CG LEU A 84 5.298 -3.822 -0.296 1.00 0.00 C ATOM 1288 CD1 LEU A 84 4.194 -2.776 -0.281 1.00 0.00 C ATOM 1289 CD2 LEU A 84 6.657 -3.162 -0.482 1.00 0.00 C ATOM 0 H LEU A 84 4.887 -6.830 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 84 7.164 -5.671 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.239 -4.910 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.624 -4.017 1.809 1.00 0.00 H new ATOM 0 HG LEU A 84 5.124 -4.493 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.227 -2.199 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.226 -3.270 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.337 -2.109 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.655 -2.579 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.861 -2.505 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.429 -3.929 -0.539 1.00 0.00 H new ATOM 1301 N LYS A 85 6.364 -6.432 3.339 1.00 0.00 N ATOM 1302 CA LYS A 85 6.124 -7.158 4.581 1.00 0.00 C ATOM 1303 C LYS A 85 5.734 -6.202 5.704 1.00 0.00 C ATOM 1304 O LYS A 85 6.078 -5.021 5.674 1.00 0.00 O ATOM 1305 CB LYS A 85 7.371 -7.950 4.982 1.00 0.00 C ATOM 1306 CG LYS A 85 8.506 -7.079 5.493 1.00 0.00 C ATOM 1307 CD LYS A 85 9.786 -7.878 5.668 1.00 0.00 C ATOM 1308 CE LYS A 85 9.898 -8.451 7.073 1.00 0.00 C ATOM 1309 NZ LYS A 85 10.581 -7.510 8.003 1.00 0.00 N ATOM 0 H LYS A 85 7.016 -5.652 3.426 1.00 0.00 H new ATOM 0 HA LYS A 85 5.299 -7.850 4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.101 -8.670 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.721 -8.521 4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.680 -6.260 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.222 -6.632 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.812 -8.689 4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.646 -7.239 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.902 -8.678 7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.448 -9.391 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.637 -7.937 8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.541 -7.313 7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.042 -6.622 8.056 1.00 0.00 H new ATOM 1323 N ALA A 86 5.014 -6.721 6.693 1.00 0.00 N ATOM 1324 CA ALA A 86 4.580 -5.914 7.827 1.00 0.00 C ATOM 1325 C ALA A 86 5.290 -6.340 9.107 1.00 0.00 C ATOM 1326 O ALA A 86 5.953 -7.376 9.145 1.00 0.00 O ATOM 1327 CB ALA A 86 3.072 -6.014 7.999 1.00 0.00 C ATOM 0 H ALA A 86 4.719 -7.697 6.732 1.00 0.00 H new ATOM 0 HA ALA A 86 4.843 -4.876 7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.762 -5.407 8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.578 -5.654 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.794 -7.053 8.175 1.00 0.00 H new ATOM 1333 N ALA A 87 5.148 -5.533 10.154 1.00 0.00 N ATOM 1334 CA ALA A 87 5.775 -5.827 11.436 1.00 0.00 C ATOM 1335 C ALA A 87 5.494 -7.263 11.868 1.00 0.00 C ATOM 1336 O ALA A 87 6.414 -8.021 12.178 1.00 0.00 O ATOM 1337 CB ALA A 87 5.290 -4.851 12.497 1.00 0.00 C ATOM 0 H ALA A 87 4.604 -4.670 10.139 1.00 0.00 H new ATOM 0 HA ALA A 87 6.853 -5.714 11.320 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.767 -5.083 13.450 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.547 -3.834 12.200 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.208 -4.936 12.602 1.00 0.00 H new ATOM 1343 N THR A 88 4.217 -7.631 11.887 1.00 0.00 N ATOM 1344 CA THR A 88 3.815 -8.975 12.283 1.00 0.00 C ATOM 1345 C THR A 88 2.661 -9.479 11.424 1.00 0.00 C ATOM 1346 O THR A 88 2.191 -8.781 10.525 1.00 0.00 O ATOM 1347 CB THR A 88 3.396 -9.023 13.765 1.00 0.00 C ATOM 1348 OG1 THR A 88 2.289 -8.144 13.990 1.00 0.00 O ATOM 1349 CG2 THR A 88 4.555 -8.628 14.667 1.00 0.00 C ATOM 0 H THR A 88 3.443 -7.017 11.633 1.00 0.00 H new ATOM 0 HA THR A 88 4.682 -9.620 12.137 1.00 0.00 H new ATOM 0 HB THR A 88 3.102 -10.045 14.004 1.00 0.00 H new ATOM 0 HG1 THR A 88 2.028 -8.182 14.934 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.236 -8.669 15.708 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.386 -9.317 14.515 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.875 -7.614 14.425 1.00 0.00 H new ATOM 1357 N LYS A 89 2.207 -10.695 11.706 1.00 0.00 N ATOM 1358 CA LYS A 89 1.105 -11.293 10.961 1.00 0.00 C ATOM 1359 C LYS A 89 -0.154 -10.439 11.071 1.00 0.00 C ATOM 1360 O LYS A 89 -0.901 -10.292 10.104 1.00 0.00 O ATOM 1361 CB LYS A 89 0.821 -12.706 11.476 1.00 0.00 C ATOM 1362 CG LYS A 89 -0.436 -13.326 10.891 1.00 0.00 C ATOM 1363 CD LYS A 89 -0.145 -14.052 9.588 1.00 0.00 C ATOM 1364 CE LYS A 89 -1.333 -14.889 9.140 1.00 0.00 C ATOM 1365 NZ LYS A 89 -1.430 -16.167 9.899 1.00 0.00 N ATOM 0 H LYS A 89 2.585 -11.287 12.446 1.00 0.00 H new ATOM 0 HA LYS A 89 1.396 -11.346 9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.673 -13.346 11.245 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.730 -12.676 12.562 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.867 -14.024 11.609 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -1.179 -12.548 10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 89 0.103 -13.326 8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.727 -14.694 9.715 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.251 -14.317 9.274 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.244 -15.105 8.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.252 -16.708 9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.565 -16.725 9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.541 -15.961 10.912 1.00 0.00 H new ATOM 1379 N GLN A 90 -0.380 -9.876 12.254 1.00 0.00 N ATOM 1380 CA GLN A 90 -1.548 -9.035 12.488 1.00 0.00 C ATOM 1381 C GLN A 90 -1.367 -7.662 11.849 1.00 0.00 C ATOM 1382 O GLN A 90 -2.336 -6.933 11.636 1.00 0.00 O ATOM 1383 CB GLN A 90 -1.800 -8.883 13.989 1.00 0.00 C ATOM 1384 CG GLN A 90 -2.671 -9.983 14.574 1.00 0.00 C ATOM 1385 CD GLN A 90 -2.603 -10.039 16.087 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -2.288 -9.046 16.743 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -2.898 -11.205 16.650 1.00 0.00 N ATOM 0 H GLN A 90 0.230 -9.987 13.064 1.00 0.00 H new ATOM 0 HA GLN A 90 -2.411 -9.518 12.029 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.843 -8.873 14.510 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.274 -7.919 14.174 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.705 -9.825 14.266 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.360 -10.944 14.164 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.154 -12.002 16.068 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.869 -11.303 17.665 1.00 0.00 H new ATOM 1396 N ALA A 91 -0.120 -7.315 11.546 1.00 0.00 N ATOM 1397 CA ALA A 91 0.187 -6.030 10.931 1.00 0.00 C ATOM 1398 C ALA A 91 -0.319 -5.975 9.493 1.00 0.00 C ATOM 1399 O ALA A 91 -1.196 -5.177 9.164 1.00 0.00 O ATOM 1400 CB ALA A 91 1.685 -5.769 10.975 1.00 0.00 C ATOM 0 H ALA A 91 0.694 -7.906 11.717 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.324 -5.252 11.499 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.900 -4.806 10.512 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.022 -5.757 12.012 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.208 -6.557 10.433 1.00 0.00 H new ATOM 1406 N MET A 92 0.240 -6.828 8.641 1.00 0.00 N ATOM 1407 CA MET A 92 -0.156 -6.876 7.238 1.00 0.00 C ATOM 1408 C MET A 92 -1.675 -6.873 7.102 1.00 0.00 C ATOM 1409 O MET A 92 -2.234 -6.138 6.286 1.00 0.00 O ATOM 1410 CB MET A 92 0.425 -8.121 6.564 1.00 0.00 C ATOM 1411 CG MET A 92 0.028 -9.421 7.244 1.00 0.00 C ATOM 1412 SD MET A 92 -1.509 -10.104 6.592 1.00 0.00 S ATOM 1413 CE MET A 92 -1.127 -11.854 6.588 1.00 0.00 C ATOM 0 H MET A 92 0.968 -7.495 8.897 1.00 0.00 H new ATOM 0 HA MET A 92 0.238 -5.987 6.745 1.00 0.00 H new ATOM 0 HB2 MET A 92 0.096 -8.149 5.525 1.00 0.00 H new ATOM 0 HB3 MET A 92 1.512 -8.044 6.552 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.828 -10.151 7.119 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.081 -9.248 8.315 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.497 -12.305 5.667 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.047 -11.991 6.651 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.604 -12.333 7.443 1.00 0.00 H new ATOM 1423 N LEU A 93 -2.339 -7.698 7.904 1.00 0.00 N ATOM 1424 CA LEU A 93 -3.795 -7.790 7.873 1.00 0.00 C ATOM 1425 C LEU A 93 -4.428 -6.402 7.865 1.00 0.00 C ATOM 1426 O LEU A 93 -5.444 -6.176 7.208 1.00 0.00 O ATOM 1427 CB LEU A 93 -4.301 -8.587 9.076 1.00 0.00 C ATOM 1428 CG LEU A 93 -3.957 -10.076 9.087 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -4.202 -10.671 10.465 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -4.765 -10.818 8.033 1.00 0.00 C ATOM 0 H LEU A 93 -1.892 -8.313 8.584 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.083 -8.306 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.897 -8.135 9.982 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.385 -8.485 9.124 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.899 -10.186 8.849 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.951 -11.732 10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.579 -10.159 11.198 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.252 -10.549 10.733 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.507 -11.877 8.055 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.829 -10.699 8.240 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.539 -10.410 7.048 1.00 0.00 H new ATOM 1442 N TYR A 94 -3.819 -5.475 8.597 1.00 0.00 N ATOM 1443 CA TYR A 94 -4.323 -4.109 8.674 1.00 0.00 C ATOM 1444 C TYR A 94 -4.107 -3.373 7.356 1.00 0.00 C ATOM 1445 O TYR A 94 -4.953 -2.591 6.923 1.00 0.00 O ATOM 1446 CB TYR A 94 -3.635 -3.353 9.812 1.00 0.00 C ATOM 1447 CG TYR A 94 -3.775 -1.851 9.712 1.00 0.00 C ATOM 1448 CD1 TYR A 94 -5.011 -1.237 9.869 1.00 0.00 C ATOM 1449 CD2 TYR A 94 -2.671 -1.046 9.462 1.00 0.00 C ATOM 1450 CE1 TYR A 94 -5.144 0.135 9.778 1.00 0.00 C ATOM 1451 CE2 TYR A 94 -2.794 0.327 9.370 1.00 0.00 C ATOM 1452 CZ TYR A 94 -4.032 0.913 9.529 1.00 0.00 C ATOM 1453 OH TYR A 94 -4.160 2.280 9.439 1.00 0.00 O ATOM 0 H TYR A 94 -2.976 -5.645 9.145 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.394 -4.155 8.872 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.052 -3.686 10.762 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.576 -3.611 9.821 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.883 -1.843 10.066 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.700 -1.501 9.337 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.113 0.596 9.901 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.925 0.938 9.175 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.283 2.680 9.261 1.00 0.00 H new ATOM 1463 N TRP A 95 -2.969 -3.631 6.722 1.00 0.00 N ATOM 1464 CA TRP A 95 -2.641 -2.994 5.451 1.00 0.00 C ATOM 1465 C TRP A 95 -3.548 -3.503 4.337 1.00 0.00 C ATOM 1466 O TRP A 95 -4.132 -2.717 3.590 1.00 0.00 O ATOM 1467 CB TRP A 95 -1.176 -3.251 5.092 1.00 0.00 C ATOM 1468 CG TRP A 95 -0.242 -2.206 5.623 1.00 0.00 C ATOM 1469 CD1 TRP A 95 0.372 -2.199 6.843 1.00 0.00 C ATOM 1470 CD2 TRP A 95 0.181 -1.014 4.952 1.00 0.00 C ATOM 1471 NE1 TRP A 95 1.152 -1.075 6.970 1.00 0.00 N ATOM 1472 CE2 TRP A 95 1.053 -0.333 5.823 1.00 0.00 C ATOM 1473 CE3 TRP A 95 -0.089 -0.458 3.699 1.00 0.00 C ATOM 1474 CZ2 TRP A 95 1.653 0.876 5.480 1.00 0.00 C ATOM 1475 CZ3 TRP A 95 0.507 0.742 3.360 1.00 0.00 C ATOM 1476 CH2 TRP A 95 1.371 1.398 4.247 1.00 0.00 C ATOM 0 H TRP A 95 -2.258 -4.276 7.067 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.798 -1.921 5.559 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.879 -4.225 5.482 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.078 -3.298 4.007 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.261 -2.964 7.597 1.00 0.00 H new ATOM 0 HE1 TRP A 95 1.714 -0.832 7.786 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.752 -0.957 3.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.318 1.384 6.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.303 1.182 2.395 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.823 2.333 3.952 1.00 0.00 H new ATOM 1487 N LEU A 96 -3.661 -4.823 4.228 1.00 0.00 N ATOM 1488 CA LEU A 96 -4.498 -5.437 3.203 1.00 0.00 C ATOM 1489 C LEU A 96 -5.961 -5.052 3.393 1.00 0.00 C ATOM 1490 O LEU A 96 -6.672 -4.783 2.424 1.00 0.00 O ATOM 1491 CB LEU A 96 -4.350 -6.959 3.242 1.00 0.00 C ATOM 1492 CG LEU A 96 -2.923 -7.492 3.374 1.00 0.00 C ATOM 1493 CD1 LEU A 96 -2.930 -9.005 3.527 1.00 0.00 C ATOM 1494 CD2 LEU A 96 -2.086 -7.080 2.171 1.00 0.00 C ATOM 0 H LEU A 96 -3.184 -5.488 4.837 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.168 -5.070 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.937 -7.340 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.787 -7.370 2.332 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.476 -7.059 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.906 -9.366 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.493 -9.278 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.396 -9.457 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.073 -7.468 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.532 -7.484 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.053 -5.992 2.106 1.00 0.00 H new ATOM 1506 N GLN A 97 -6.404 -5.025 4.646 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.783 -4.671 4.961 1.00 0.00 C ATOM 1508 C GLN A 97 -8.046 -3.197 4.672 1.00 0.00 C ATOM 1509 O GLN A 97 -9.031 -2.849 4.022 1.00 0.00 O ATOM 1510 CB GLN A 97 -8.087 -4.978 6.428 1.00 0.00 C ATOM 1511 CG GLN A 97 -9.437 -4.455 6.891 1.00 0.00 C ATOM 1512 CD GLN A 97 -10.559 -5.447 6.658 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -11.023 -6.108 7.588 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -11.003 -5.557 5.411 1.00 0.00 N ATOM 0 H GLN A 97 -5.828 -5.244 5.459 1.00 0.00 H new ATOM 0 HA GLN A 97 -8.439 -5.269 4.328 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.053 -6.057 6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.305 -4.544 7.051 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.384 -4.215 7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.663 -3.527 6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.590 -4.990 4.671 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.757 -6.209 5.194 1.00 0.00 H new ATOM 1523 N GLN A 98 -7.158 -2.336 5.161 1.00 0.00 N ATOM 1524 CA GLN A 98 -7.296 -0.899 4.955 1.00 0.00 C ATOM 1525 C GLN A 98 -7.104 -0.538 3.486 1.00 0.00 C ATOM 1526 O GLN A 98 -8.009 -0.001 2.845 1.00 0.00 O ATOM 1527 CB GLN A 98 -6.284 -0.140 5.816 1.00 0.00 C ATOM 1528 CG GLN A 98 -6.746 0.081 7.247 1.00 0.00 C ATOM 1529 CD GLN A 98 -8.200 0.503 7.332 1.00 0.00 C ATOM 1530 OE1 GLN A 98 -9.098 -0.474 7.384 1.00 0.00 O flip ATOM 1531 NE2 GLN A 98 -8.512 1.694 7.350 1.00 0.00 N flip ATOM 0 H GLN A 98 -6.337 -2.608 5.702 1.00 0.00 H new ATOM 0 HA GLN A 98 -8.304 -0.610 5.252 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -5.344 -0.691 5.828 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.081 0.827 5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.604 -0.838 7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.122 0.844 7.712 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -7.788 2.411 7.308 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -9.494 1.963 7.407 1.00 0.00 H new ATOM 1540 N LEU A 99 -5.922 -0.836 2.958 1.00 0.00 N ATOM 1541 CA LEU A 99 -5.611 -0.542 1.564 1.00 0.00 C ATOM 1542 C LEU A 99 -6.831 -0.764 0.675 1.00 0.00 C ATOM 1543 O LEU A 99 -7.100 0.023 -0.232 1.00 0.00 O ATOM 1544 CB LEU A 99 -4.452 -1.417 1.084 1.00 0.00 C ATOM 1545 CG LEU A 99 -3.062 -1.026 1.589 1.00 0.00 C ATOM 1546 CD1 LEU A 99 -2.060 -2.135 1.307 1.00 0.00 C ATOM 1547 CD2 LEU A 99 -2.610 0.278 0.949 1.00 0.00 C ATOM 0 H LEU A 99 -5.163 -1.281 3.474 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.320 0.506 1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.650 -2.445 1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.438 -1.402 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.116 -0.879 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.077 -1.839 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.376 -3.048 1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.008 -2.314 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -1.619 0.541 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.572 0.158 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.314 1.071 1.202 1.00 0.00 H new ATOM 1559 N GLN A 100 -7.567 -1.837 0.946 1.00 0.00 N ATOM 1560 CA GLN A 100 -8.759 -2.160 0.172 1.00 0.00 C ATOM 1561 C GLN A 100 -9.826 -1.084 0.341 1.00 0.00 C ATOM 1562 O GLN A 100 -10.319 -0.525 -0.639 1.00 0.00 O ATOM 1563 CB GLN A 100 -9.317 -3.519 0.597 1.00 0.00 C ATOM 1564 CG GLN A 100 -8.725 -4.689 -0.173 1.00 0.00 C ATOM 1565 CD GLN A 100 -9.669 -5.871 -0.256 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -10.569 -5.903 -1.096 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -9.470 -6.852 0.617 1.00 0.00 N ATOM 0 H GLN A 100 -7.359 -2.497 1.695 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.477 -2.204 -0.880 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.129 -3.663 1.661 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.399 -3.516 0.462 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.468 -4.363 -1.181 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.798 -5.003 0.307 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.712 -6.784 1.296 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.075 -7.673 0.608 1.00 0.00 H new ATOM 1576 N MET A 101 -10.179 -0.798 1.590 1.00 0.00 N ATOM 1577 CA MET A 101 -11.187 0.212 1.887 1.00 0.00 C ATOM 1578 C MET A 101 -11.121 1.358 0.883 1.00 0.00 C ATOM 1579 O MET A 101 -12.137 1.764 0.319 1.00 0.00 O ATOM 1580 CB MET A 101 -10.998 0.750 3.307 1.00 0.00 C ATOM 1581 CG MET A 101 -11.395 -0.239 4.390 1.00 0.00 C ATOM 1582 SD MET A 101 -13.088 -0.832 4.202 1.00 0.00 S ATOM 1583 CE MET A 101 -12.801 -2.483 3.570 1.00 0.00 C ATOM 0 H MET A 101 -9.782 -1.252 2.413 1.00 0.00 H new ATOM 0 HA MET A 101 -12.168 -0.257 1.812 1.00 0.00 H new ATOM 0 HB2 MET A 101 -9.953 1.027 3.445 1.00 0.00 H new ATOM 0 HB3 MET A 101 -11.587 1.660 3.423 1.00 0.00 H new ATOM 0 HG2 MET A 101 -10.712 -1.088 4.369 1.00 0.00 H new ATOM 0 HG3 MET A 101 -11.286 0.234 5.366 1.00 0.00 H new ATOM 0 HE1 MET A 101 -13.756 -2.954 3.335 1.00 0.00 H new ATOM 0 HE2 MET A 101 -12.193 -2.426 2.667 1.00 0.00 H new ATOM 0 HE3 MET A 101 -12.280 -3.075 4.322 1.00 0.00 H new ATOM 1593 N LYS A 102 -9.917 1.878 0.664 1.00 0.00 N ATOM 1594 CA LYS A 102 -9.717 2.977 -0.273 1.00 0.00 C ATOM 1595 C LYS A 102 -10.166 2.584 -1.677 1.00 0.00 C ATOM 1596 O LYS A 102 -10.969 3.280 -2.299 1.00 0.00 O ATOM 1597 CB LYS A 102 -8.245 3.394 -0.294 1.00 0.00 C ATOM 1598 CG LYS A 102 -7.672 3.675 1.084 1.00 0.00 C ATOM 1599 CD LYS A 102 -8.247 4.950 1.677 1.00 0.00 C ATOM 1600 CE LYS A 102 -7.627 5.265 3.030 1.00 0.00 C ATOM 1601 NZ LYS A 102 -8.005 6.623 3.511 1.00 0.00 N ATOM 0 H LYS A 102 -9.065 1.555 1.123 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.322 3.820 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.660 2.606 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -8.138 4.286 -0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.886 2.836 1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.587 3.760 1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.073 5.781 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.327 4.847 1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -7.947 4.520 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.542 5.195 2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -7.563 6.799 4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -7.678 7.336 2.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.039 6.683 3.605 1.00 0.00 H new ATOM 1615 N ARG A 103 -9.644 1.465 -2.168 1.00 0.00 N ATOM 1616 CA ARG A 103 -9.992 0.981 -3.499 1.00 0.00 C ATOM 1617 C ARG A 103 -11.450 0.536 -3.551 1.00 0.00 C ATOM 1618 O ARG A 103 -12.262 1.120 -4.270 1.00 0.00 O ATOM 1619 CB ARG A 103 -9.079 -0.181 -3.896 1.00 0.00 C ATOM 1620 CG ARG A 103 -9.578 -0.964 -5.099 1.00 0.00 C ATOM 1621 CD ARG A 103 -8.883 -2.312 -5.214 1.00 0.00 C ATOM 1622 NE ARG A 103 -9.737 -3.316 -5.843 1.00 0.00 N ATOM 1623 CZ ARG A 103 -9.436 -4.609 -5.894 1.00 0.00 C ATOM 1624 NH1 ARG A 103 -8.308 -5.052 -5.355 1.00 0.00 N ATOM 1625 NH2 ARG A 103 -10.264 -5.462 -6.484 1.00 0.00 N ATOM 0 H ARG A 103 -8.979 0.877 -1.665 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.855 1.801 -4.204 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -8.084 0.208 -4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.978 -0.859 -3.048 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -10.654 -1.114 -5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.406 -0.386 -6.007 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.968 -2.199 -5.795 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.591 -2.655 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 103 -10.612 -3.008 -6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.669 -4.400 -4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.079 -6.045 -5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -11.133 -5.125 -6.899 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -10.032 -6.454 -6.522 1.00 0.00 H new ATOM 1639 N TRP A 104 -11.775 -0.500 -2.786 1.00 0.00 N ATOM 1640 CA TRP A 104 -13.136 -1.023 -2.746 1.00 0.00 C ATOM 1641 C TRP A 104 -14.155 0.112 -2.724 1.00 0.00 C ATOM 1642 O TRP A 104 -15.194 0.036 -3.379 1.00 0.00 O ATOM 1643 CB TRP A 104 -13.325 -1.918 -1.520 1.00 0.00 C ATOM 1644 CG TRP A 104 -14.756 -2.044 -1.092 1.00 0.00 C ATOM 1645 CD1 TRP A 104 -15.684 -2.917 -1.583 1.00 0.00 C ATOM 1646 CD2 TRP A 104 -15.420 -1.272 -0.086 1.00 0.00 C ATOM 1647 NE1 TRP A 104 -16.887 -2.733 -0.943 1.00 0.00 N ATOM 1648 CE2 TRP A 104 -16.751 -1.731 -0.020 1.00 0.00 C ATOM 1649 CE3 TRP A 104 -15.021 -0.240 0.767 1.00 0.00 C ATOM 1650 CZ2 TRP A 104 -17.681 -1.191 0.864 1.00 0.00 C ATOM 1651 CZ3 TRP A 104 -15.945 0.295 1.644 1.00 0.00 C ATOM 1652 CH2 TRP A 104 -17.262 -0.181 1.688 1.00 0.00 C ATOM 0 H TRP A 104 -11.115 -0.994 -2.185 1.00 0.00 H new ATOM 0 HA TRP A 104 -13.298 -1.614 -3.647 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -12.930 -2.910 -1.739 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -12.740 -1.517 -0.693 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.500 -3.645 -2.360 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.742 -3.258 -1.126 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.008 0.133 0.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -18.697 -1.556 0.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.647 1.094 2.307 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.960 0.257 2.386 1.00 0.00 H new ATOM 1663 N GLU A 105 -13.850 1.161 -1.968 1.00 0.00 N ATOM 1664 CA GLU A 105 -14.741 2.310 -1.861 1.00 0.00 C ATOM 1665 C GLU A 105 -15.031 2.903 -3.237 1.00 0.00 C ATOM 1666 O GLU A 105 -16.183 3.168 -3.581 1.00 0.00 O ATOM 1667 CB GLU A 105 -14.127 3.378 -0.953 1.00 0.00 C ATOM 1668 CG GLU A 105 -14.433 3.173 0.521 1.00 0.00 C ATOM 1669 CD GLU A 105 -15.806 3.687 0.909 1.00 0.00 C ATOM 1670 OE1 GLU A 105 -16.810 3.109 0.445 1.00 0.00 O ATOM 1671 OE2 GLU A 105 -15.875 4.670 1.677 1.00 0.00 O ATOM 0 H GLU A 105 -12.993 1.239 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.680 1.969 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -13.046 3.385 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.494 4.358 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.367 2.111 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.677 3.681 1.119 1.00 0.00 H new ATOM 1678 N PHE A 106 -13.977 3.109 -4.020 1.00 0.00 N ATOM 1679 CA PHE A 106 -14.117 3.672 -5.358 1.00 0.00 C ATOM 1680 C PHE A 106 -15.027 2.804 -6.221 1.00 0.00 C ATOM 1681 O PHE A 106 -15.885 3.311 -6.945 1.00 0.00 O ATOM 1682 CB PHE A 106 -12.746 3.810 -6.022 1.00 0.00 C ATOM 1683 CG PHE A 106 -12.817 3.998 -7.511 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -12.956 2.907 -8.354 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -12.744 5.265 -8.067 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -13.021 3.077 -9.724 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -12.809 5.441 -9.436 1.00 0.00 C ATOM 1688 CZ PHE A 106 -12.949 4.345 -10.266 1.00 0.00 C ATOM 0 H PHE A 106 -13.017 2.895 -3.751 1.00 0.00 H new ATOM 0 HA PHE A 106 -14.569 4.659 -5.264 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -12.222 4.658 -5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -12.154 2.921 -5.804 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.014 1.913 -7.936 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -12.635 6.125 -7.423 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -13.128 2.218 -10.370 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -12.750 6.434 -9.857 1.00 0.00 H new ATOM 0 HZ PHE A 106 -13.002 4.480 -11.336 1.00 0.00 H new ATOM 1698 N HIS A 107 -14.834 1.491 -6.139 1.00 0.00 N ATOM 1699 CA HIS A 107 -15.637 0.550 -6.912 1.00 0.00 C ATOM 1700 C HIS A 107 -17.100 0.602 -6.481 1.00 0.00 C ATOM 1701 O HIS A 107 -17.998 0.721 -7.312 1.00 0.00 O ATOM 1702 CB HIS A 107 -15.095 -0.870 -6.750 1.00 0.00 C ATOM 1703 CG HIS A 107 -13.791 -1.097 -7.451 1.00 0.00 C ATOM 1704 ND1 HIS A 107 -13.632 -0.944 -8.812 1.00 0.00 N ATOM 1705 CD2 HIS A 107 -12.581 -1.467 -6.971 1.00 0.00 C ATOM 1706 CE1 HIS A 107 -12.380 -1.212 -9.139 1.00 0.00 C ATOM 1707 NE2 HIS A 107 -11.721 -1.531 -8.040 1.00 0.00 N ATOM 0 H HIS A 107 -14.129 1.055 -5.545 1.00 0.00 H new ATOM 0 HA HIS A 107 -15.576 0.836 -7.962 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -14.969 -1.083 -5.688 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -15.831 -1.577 -7.132 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.337 -1.674 -5.939 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -11.966 -1.176 -10.136 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.734 -1.784 -7.993 1.00 0.00 H new