USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 630 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 371 LYS NZ :NH3+ -144:sc= -0.0178 (180deg=-0.107) USER MOD Set 1.2: A 421 LYS NZ :NH3+ -105:sc= -1.16 (180deg=-1.84!) USER MOD Single : A 368 MET CE :methyl -141:sc= 0 (180deg=-0.015) USER MOD Single : A 369 ASN : amide:sc= -0.364 K(o=-0.36,f=-1.3) USER MOD Single : A 373 GLN : amide:sc= -0.894 K(o=-0.89,f=-3.5!) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 380 TYR OH : rot 100:sc= -2.06 USER MOD Single : A 382 SER OG : rot -28:sc= 0.203 USER MOD Single : A 386 HIS : no HD1:sc= -4.66! C(o=-4.7!,f=-6!) USER MOD Single : A 387 TYR OH : rot 16:sc= -2.36! USER MOD Single : A 389 THR OG1 : rot 130:sc= -2.43! USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 LYS NZ :NH3+ -154:sc= -0.174 (180deg=-0.713) USER MOD Single : A 394 THR OG1 : rot -51:sc= -1.77! USER MOD Single : A 399 ASN : amide:sc= -2.14! C(o=-2.1!,f=-9.5!) USER MOD Single : A 400 SER OG : rot -17:sc= -1.77! USER MOD Single : A 404 CYS SG : rot -86:sc= -2.59 USER MOD Single : A 410 THR OG1 : rot 180:sc= 0 USER MOD Single : A 414 THR OG1 : rot -4:sc= 1.06 USER MOD Single : A 419 ASN : amide:sc= -2.85! C(o=-2.8!,f=-1.5!) USER MOD Single : A 430 ASN : amide:sc= -3.54 K(o=-3.5,f=-6.1!) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 MET CE :methyl 131:sc= -2.74 (180deg=-8.48!) USER MOD Single : A 441 TYR OH : rot 114:sc= -3.07! USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 40 N ASP A 367 -7.834 -6.628 7.407 1.00 0.00 N ATOM 41 CA ASP A 367 -9.026 -5.851 7.091 1.00 0.00 C ATOM 42 C ASP A 367 -9.750 -6.445 5.891 1.00 0.00 C ATOM 43 O ASP A 367 -9.432 -7.548 5.447 1.00 0.00 O ATOM 44 CB ASP A 367 -8.652 -4.397 6.810 1.00 0.00 C ATOM 45 CG ASP A 367 -8.244 -3.656 8.066 1.00 0.00 C ATOM 46 OD1 ASP A 367 -7.603 -4.277 8.939 1.00 0.00 O ATOM 47 OD2 ASP A 367 -8.565 -2.454 8.177 1.00 0.00 O ATOM 0 HA ASP A 367 -9.694 -5.884 7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 367 -7.833 -4.367 6.091 1.00 0.00 H new ATOM 0 HB3 ASP A 367 -9.499 -3.889 6.350 1.00 0.00 H new ATOM 52 N MET A 368 -10.725 -5.712 5.367 1.00 0.00 N ATOM 53 CA MET A 368 -11.484 -6.180 4.219 1.00 0.00 C ATOM 54 C MET A 368 -11.098 -5.415 2.956 1.00 0.00 C ATOM 55 O MET A 368 -10.879 -6.014 1.905 1.00 0.00 O ATOM 56 CB MET A 368 -12.986 -6.063 4.490 1.00 0.00 C ATOM 57 CG MET A 368 -13.388 -6.565 5.870 1.00 0.00 C ATOM 58 SD MET A 368 -13.418 -8.366 5.974 1.00 0.00 S ATOM 59 CE MET A 368 -14.986 -8.733 5.186 1.00 0.00 C ATOM 0 H MET A 368 -11.006 -4.796 5.718 1.00 0.00 H new ATOM 0 HA MET A 368 -11.243 -7.231 4.056 1.00 0.00 H new ATOM 0 HB2 MET A 368 -13.287 -5.020 4.388 1.00 0.00 H new ATOM 0 HB3 MET A 368 -13.530 -6.627 3.733 1.00 0.00 H new ATOM 0 HG2 MET A 368 -12.691 -6.174 6.612 1.00 0.00 H new ATOM 0 HG3 MET A 368 -14.374 -6.174 6.121 1.00 0.00 H new ATOM 0 HE1 MET A 368 -15.477 -9.550 5.715 1.00 0.00 H new ATOM 0 HE2 MET A 368 -15.622 -7.849 5.213 1.00 0.00 H new ATOM 0 HE3 MET A 368 -14.813 -9.024 4.150 1.00 0.00 H new ATOM 69 N ASN A 369 -11.006 -4.092 3.061 1.00 0.00 N ATOM 70 CA ASN A 369 -10.630 -3.273 1.911 1.00 0.00 C ATOM 71 C ASN A 369 -9.443 -2.369 2.232 1.00 0.00 C ATOM 72 O ASN A 369 -9.605 -1.169 2.455 1.00 0.00 O ATOM 73 CB ASN A 369 -11.813 -2.418 1.461 1.00 0.00 C ATOM 74 CG ASN A 369 -12.560 -3.028 0.291 1.00 0.00 C ATOM 75 OD1 ASN A 369 -11.961 -3.638 -0.594 1.00 0.00 O ATOM 76 ND2 ASN A 369 -13.877 -2.860 0.281 1.00 0.00 N ATOM 0 H ASN A 369 -11.184 -3.569 3.918 1.00 0.00 H new ATOM 0 HA ASN A 369 -10.339 -3.949 1.107 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -12.500 -2.286 2.297 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -11.455 -1.427 1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 369 -14.434 -3.244 -0.482 1.00 0.00 H new ATOM 0 HD22 ASN A 369 -14.331 -2.347 1.036 1.00 0.00 H new ATOM 83 N ALA A 370 -8.250 -2.950 2.223 1.00 0.00 N ATOM 84 CA ALA A 370 -7.027 -2.195 2.480 1.00 0.00 C ATOM 85 C ALA A 370 -6.562 -1.495 1.212 1.00 0.00 C ATOM 86 O ALA A 370 -6.445 -0.277 1.167 1.00 0.00 O ATOM 87 CB ALA A 370 -5.928 -3.091 3.023 1.00 0.00 C ATOM 0 H ALA A 370 -8.102 -3.943 2.040 1.00 0.00 H new ATOM 0 HA ALA A 370 -7.250 -1.443 3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -5.031 -2.498 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.257 -3.545 3.958 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -5.705 -3.874 2.298 1.00 0.00 H new ATOM 93 N LYS A 371 -6.317 -2.286 0.175 1.00 0.00 N ATOM 94 CA LYS A 371 -5.888 -1.752 -1.112 1.00 0.00 C ATOM 95 C LYS A 371 -6.926 -0.754 -1.616 1.00 0.00 C ATOM 96 O LYS A 371 -6.623 0.153 -2.385 1.00 0.00 O ATOM 97 CB LYS A 371 -5.710 -2.881 -2.129 1.00 0.00 C ATOM 98 CG LYS A 371 -5.162 -4.165 -1.532 1.00 0.00 C ATOM 99 CD LYS A 371 -6.281 -5.086 -1.078 1.00 0.00 C ATOM 100 CE LYS A 371 -6.600 -6.135 -2.129 1.00 0.00 C ATOM 101 NZ LYS A 371 -7.540 -5.619 -3.163 1.00 0.00 N ATOM 0 H LYS A 371 -6.408 -3.302 0.200 1.00 0.00 H new ATOM 0 HA LYS A 371 -4.929 -1.249 -0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -6.672 -3.091 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -5.039 -2.543 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -4.544 -4.677 -2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -4.517 -3.928 -0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -5.995 -5.577 -0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -7.174 -4.498 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -5.677 -6.461 -2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -7.035 -7.011 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -8.184 -6.381 -3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -8.093 -4.832 -2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -7.000 -5.284 -3.986 1.00 0.00 H new ATOM 115 N ARG A 372 -8.146 -0.936 -1.134 1.00 0.00 N ATOM 116 CA ARG A 372 -9.254 -0.057 -1.487 1.00 0.00 C ATOM 117 C ARG A 372 -9.250 1.174 -0.595 1.00 0.00 C ATOM 118 O ARG A 372 -9.186 2.304 -1.079 1.00 0.00 O ATOM 119 CB ARG A 372 -10.594 -0.787 -1.368 1.00 0.00 C ATOM 120 CG ARG A 372 -11.799 0.147 -1.314 1.00 0.00 C ATOM 121 CD ARG A 372 -12.605 0.086 -2.601 1.00 0.00 C ATOM 122 NE ARG A 372 -13.872 0.808 -2.500 1.00 0.00 N ATOM 123 CZ ARG A 372 -13.980 2.132 -2.598 1.00 0.00 C ATOM 124 NH1 ARG A 372 -12.894 2.883 -2.723 1.00 0.00 N ATOM 125 NH2 ARG A 372 -15.176 2.706 -2.557 1.00 0.00 N ATOM 0 H ARG A 372 -8.396 -1.689 -0.493 1.00 0.00 H new ATOM 0 HA ARG A 372 -9.125 0.252 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -10.706 -1.462 -2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -10.583 -1.404 -0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -12.435 -0.125 -0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -11.462 1.169 -1.142 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -12.015 0.505 -3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -12.803 -0.956 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 372 -14.723 0.267 -2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -11.972 2.447 -2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -12.981 3.897 -2.798 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -16.013 2.133 -2.450 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -15.258 3.720 -2.632 1.00 0.00 H new ATOM 139 N GLN A 373 -9.317 0.950 0.712 1.00 0.00 N ATOM 140 CA GLN A 373 -9.316 2.048 1.666 1.00 0.00 C ATOM 141 C GLN A 373 -8.085 2.926 1.462 1.00 0.00 C ATOM 142 O GLN A 373 -8.158 4.151 1.541 1.00 0.00 O ATOM 143 CB GLN A 373 -9.368 1.500 3.091 1.00 0.00 C ATOM 144 CG GLN A 373 -9.466 2.579 4.153 1.00 0.00 C ATOM 145 CD GLN A 373 -10.398 2.199 5.286 1.00 0.00 C ATOM 146 OE1 GLN A 373 -10.027 1.441 6.183 1.00 0.00 O ATOM 147 NE2 GLN A 373 -11.616 2.726 5.250 1.00 0.00 N ATOM 0 H GLN A 373 -9.372 0.022 1.132 1.00 0.00 H new ATOM 0 HA GLN A 373 -10.200 2.664 1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 373 -10.224 0.832 3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -8.476 0.902 3.274 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -8.473 2.778 4.556 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -9.816 3.504 3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -11.880 3.349 4.487 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -12.288 2.508 5.985 1.00 0.00 H new ATOM 156 N LEU A 374 -6.962 2.279 1.182 1.00 0.00 N ATOM 157 CA LEU A 374 -5.701 2.959 0.940 1.00 0.00 C ATOM 158 C LEU A 374 -5.776 3.769 -0.353 1.00 0.00 C ATOM 159 O LEU A 374 -5.670 4.996 -0.333 1.00 0.00 O ATOM 160 CB LEU A 374 -4.575 1.920 0.864 1.00 0.00 C ATOM 161 CG LEU A 374 -3.158 2.481 0.755 1.00 0.00 C ATOM 162 CD1 LEU A 374 -2.808 2.775 -0.691 1.00 0.00 C ATOM 163 CD2 LEU A 374 -3.012 3.727 1.613 1.00 0.00 C ATOM 0 H LEU A 374 -6.902 1.263 1.116 1.00 0.00 H new ATOM 0 HA LEU A 374 -5.496 3.649 1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 374 -4.628 1.289 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -4.758 1.276 0.004 1.00 0.00 H new ATOM 0 HG LEU A 374 -2.460 1.730 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 374 -1.795 3.174 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 374 -2.869 1.856 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 374 -3.508 3.507 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 374 -1.997 4.113 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 374 -3.720 4.485 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 374 -3.215 3.477 2.654 1.00 0.00 H new ATOM 175 N TYR A 375 -5.982 3.080 -1.477 1.00 0.00 N ATOM 176 CA TYR A 375 -6.091 3.748 -2.771 1.00 0.00 C ATOM 177 C TYR A 375 -6.970 4.980 -2.644 1.00 0.00 C ATOM 178 O TYR A 375 -6.744 6.000 -3.296 1.00 0.00 O ATOM 179 CB TYR A 375 -6.679 2.796 -3.811 1.00 0.00 C ATOM 180 CG TYR A 375 -6.215 3.051 -5.232 1.00 0.00 C ATOM 181 CD1 TYR A 375 -4.955 3.576 -5.502 1.00 0.00 C ATOM 182 CD2 TYR A 375 -7.044 2.758 -6.309 1.00 0.00 C ATOM 183 CE1 TYR A 375 -4.538 3.800 -6.799 1.00 0.00 C ATOM 184 CE2 TYR A 375 -6.633 2.980 -7.609 1.00 0.00 C ATOM 185 CZ TYR A 375 -5.380 3.501 -7.849 1.00 0.00 C ATOM 186 OH TYR A 375 -4.968 3.723 -9.142 1.00 0.00 O ATOM 0 H TYR A 375 -6.076 2.065 -1.516 1.00 0.00 H new ATOM 0 HA TYR A 375 -5.095 4.050 -3.095 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -6.420 1.773 -3.536 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -7.766 2.870 -3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.292 3.812 -4.683 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -8.027 2.350 -6.126 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -3.556 4.208 -6.990 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -7.290 2.746 -8.433 1.00 0.00 H new ATOM 0 HH TYR A 375 -5.679 3.458 -9.762 1.00 0.00 H new ATOM 196 N SER A 376 -7.966 4.876 -1.775 1.00 0.00 N ATOM 197 CA SER A 376 -8.877 5.982 -1.523 1.00 0.00 C ATOM 198 C SER A 376 -8.190 7.012 -0.633 1.00 0.00 C ATOM 199 O SER A 376 -8.212 8.211 -0.908 1.00 0.00 O ATOM 200 CB SER A 376 -10.165 5.479 -0.857 1.00 0.00 C ATOM 201 OG SER A 376 -10.909 6.552 -0.306 1.00 0.00 O ATOM 0 H SER A 376 -8.163 4.035 -1.232 1.00 0.00 H new ATOM 0 HA SER A 376 -9.144 6.446 -2.473 1.00 0.00 H new ATOM 0 HB2 SER A 376 -10.774 4.949 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 376 -9.917 4.764 -0.072 1.00 0.00 H new ATOM 0 HG SER A 376 -11.725 6.204 0.111 1.00 0.00 H new ATOM 207 N LEU A 377 -7.585 6.517 0.441 1.00 0.00 N ATOM 208 CA LEU A 377 -6.887 7.355 1.400 1.00 0.00 C ATOM 209 C LEU A 377 -5.697 8.069 0.759 1.00 0.00 C ATOM 210 O LEU A 377 -5.651 9.298 0.725 1.00 0.00 O ATOM 211 CB LEU A 377 -6.424 6.501 2.583 1.00 0.00 C ATOM 212 CG LEU A 377 -7.496 6.238 3.641 1.00 0.00 C ATOM 213 CD1 LEU A 377 -7.252 4.907 4.330 1.00 0.00 C ATOM 214 CD2 LEU A 377 -7.536 7.365 4.663 1.00 0.00 C ATOM 0 H LEU A 377 -7.567 5.523 0.668 1.00 0.00 H new ATOM 0 HA LEU A 377 -7.577 8.122 1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -6.065 5.544 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.576 6.994 3.059 1.00 0.00 H new ATOM 0 HG LEU A 377 -8.463 6.196 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -8.025 4.738 5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -7.280 4.105 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -6.275 4.921 4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -8.306 7.156 5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.567 7.443 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -7.763 8.305 4.160 1.00 0.00 H new ATOM 226 N ILE A 378 -4.728 7.299 0.267 1.00 0.00 N ATOM 227 CA ILE A 378 -3.538 7.881 -0.349 1.00 0.00 C ATOM 228 C ILE A 378 -3.577 7.784 -1.876 1.00 0.00 C ATOM 229 O ILE A 378 -3.246 8.741 -2.568 1.00 0.00 O ATOM 230 CB ILE A 378 -2.280 7.159 0.174 1.00 0.00 C ATOM 231 CG1 ILE A 378 -2.085 7.428 1.660 1.00 0.00 C ATOM 232 CG2 ILE A 378 -1.057 7.583 -0.595 1.00 0.00 C ATOM 233 CD1 ILE A 378 -1.005 6.574 2.293 1.00 0.00 C ATOM 0 H ILE A 378 -4.743 6.279 0.283 1.00 0.00 H new ATOM 0 HA ILE A 378 -3.511 8.937 -0.080 1.00 0.00 H new ATOM 0 HB ILE A 378 -2.424 6.088 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 378 -1.835 8.479 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 378 -3.027 7.252 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 378 -0.183 7.059 -0.207 1.00 0.00 H new ATOM 0 HG22 ILE A 378 -1.187 7.339 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 378 -0.914 8.658 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 378 -0.921 6.819 3.352 1.00 0.00 H new ATOM 0 HD12 ILE A 378 -1.263 5.521 2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 378 -0.053 6.767 1.799 1.00 0.00 H new ATOM 245 N GLY A 379 -3.956 6.619 -2.394 1.00 0.00 N ATOM 246 CA GLY A 379 -4.002 6.424 -3.839 1.00 0.00 C ATOM 247 C GLY A 379 -4.339 7.694 -4.608 1.00 0.00 C ATOM 248 O GLY A 379 -5.453 8.207 -4.514 1.00 0.00 O ATOM 0 H GLY A 379 -4.232 5.806 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -3.037 6.047 -4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -4.743 5.659 -4.072 1.00 0.00 H new ATOM 252 N TYR A 380 -3.366 8.201 -5.367 1.00 0.00 N ATOM 253 CA TYR A 380 -3.555 9.419 -6.154 1.00 0.00 C ATOM 254 C TYR A 380 -3.107 9.217 -7.601 1.00 0.00 C ATOM 255 O TYR A 380 -2.821 8.096 -8.021 1.00 0.00 O ATOM 256 CB TYR A 380 -2.783 10.579 -5.522 1.00 0.00 C ATOM 257 CG TYR A 380 -3.395 11.063 -4.231 1.00 0.00 C ATOM 258 CD1 TYR A 380 -4.737 11.412 -4.171 1.00 0.00 C ATOM 259 CD2 TYR A 380 -2.637 11.160 -3.071 1.00 0.00 C ATOM 260 CE1 TYR A 380 -5.309 11.844 -2.991 1.00 0.00 C ATOM 261 CE2 TYR A 380 -3.203 11.588 -1.886 1.00 0.00 C ATOM 262 CZ TYR A 380 -4.539 11.930 -1.851 1.00 0.00 C ATOM 263 OH TYR A 380 -5.107 12.353 -0.673 1.00 0.00 O ATOM 0 H TYR A 380 -2.438 7.786 -5.453 1.00 0.00 H new ATOM 0 HA TYR A 380 -4.619 9.656 -6.159 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -1.756 10.265 -5.335 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.740 11.407 -6.230 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -5.344 11.345 -5.062 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -1.590 10.897 -3.096 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -6.354 12.113 -2.961 1.00 0.00 H new ATOM 0 HE2 TYR A 380 -2.602 11.655 -0.991 1.00 0.00 H new ATOM 0 HH TYR A 380 -5.313 11.576 -0.112 1.00 0.00 H new ATOM 273 N ALA A 381 -3.055 10.310 -8.360 1.00 0.00 N ATOM 274 CA ALA A 381 -2.647 10.256 -9.760 1.00 0.00 C ATOM 275 C ALA A 381 -1.126 10.236 -9.890 1.00 0.00 C ATOM 276 O ALA A 381 -0.558 9.335 -10.508 1.00 0.00 O ATOM 277 CB ALA A 381 -3.218 11.433 -10.538 1.00 0.00 C ATOM 0 H ALA A 381 -3.291 11.245 -8.027 1.00 0.00 H new ATOM 0 HA ALA A 381 -3.043 9.332 -10.181 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -2.900 11.370 -11.579 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -4.307 11.408 -10.489 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -2.857 12.365 -10.104 1.00 0.00 H new ATOM 283 N SER A 382 -0.476 11.236 -9.306 1.00 0.00 N ATOM 284 CA SER A 382 0.980 11.342 -9.353 1.00 0.00 C ATOM 285 C SER A 382 1.625 10.474 -8.279 1.00 0.00 C ATOM 286 O SER A 382 2.821 10.187 -8.330 1.00 0.00 O ATOM 287 CB SER A 382 1.408 12.799 -9.166 1.00 0.00 C ATOM 288 OG SER A 382 2.817 12.931 -9.238 1.00 0.00 O ATOM 0 H SER A 382 -0.935 11.988 -8.792 1.00 0.00 H new ATOM 0 HA SER A 382 1.314 10.990 -10.329 1.00 0.00 H new ATOM 0 HB2 SER A 382 0.942 13.419 -9.932 1.00 0.00 H new ATOM 0 HB3 SER A 382 1.054 13.164 -8.202 1.00 0.00 H new ATOM 0 HG SER A 382 3.239 12.094 -8.951 1.00 0.00 H new ATOM 294 N LEU A 383 0.824 10.068 -7.305 1.00 0.00 N ATOM 295 CA LEU A 383 1.303 9.241 -6.206 1.00 0.00 C ATOM 296 C LEU A 383 1.216 7.761 -6.555 1.00 0.00 C ATOM 297 O LEU A 383 0.821 6.940 -5.729 1.00 0.00 O ATOM 298 CB LEU A 383 0.479 9.521 -4.957 1.00 0.00 C ATOM 299 CG LEU A 383 1.235 9.456 -3.630 1.00 0.00 C ATOM 300 CD1 LEU A 383 0.422 8.673 -2.622 1.00 0.00 C ATOM 301 CD2 LEU A 383 2.614 8.833 -3.808 1.00 0.00 C ATOM 0 H LEU A 383 -0.168 10.300 -7.253 1.00 0.00 H new ATOM 0 HA LEU A 383 2.348 9.489 -6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 383 0.036 10.512 -5.052 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -0.343 8.806 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 383 1.381 10.472 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 383 0.962 8.627 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -0.538 9.165 -2.468 1.00 0.00 H new ATOM 0 HD13 LEU A 383 0.256 7.662 -2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 383 3.126 8.801 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 383 2.508 7.820 -4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 383 3.196 9.431 -4.509 1.00 0.00 H new ATOM 313 N ARG A 384 1.569 7.435 -7.789 1.00 0.00 N ATOM 314 CA ARG A 384 1.515 6.062 -8.268 1.00 0.00 C ATOM 315 C ARG A 384 1.967 5.061 -7.211 1.00 0.00 C ATOM 316 O ARG A 384 3.134 4.670 -7.169 1.00 0.00 O ATOM 317 CB ARG A 384 2.368 5.902 -9.523 1.00 0.00 C ATOM 318 CG ARG A 384 1.559 5.535 -10.753 1.00 0.00 C ATOM 319 CD ARG A 384 1.344 4.033 -10.849 1.00 0.00 C ATOM 320 NE ARG A 384 0.368 3.690 -11.878 1.00 0.00 N ATOM 321 CZ ARG A 384 0.125 2.446 -12.279 1.00 0.00 C ATOM 322 NH1 ARG A 384 0.782 1.430 -11.738 1.00 0.00 N ATOM 323 NH2 ARG A 384 -0.778 2.219 -13.221 1.00 0.00 N ATOM 0 H ARG A 384 1.898 8.108 -8.481 1.00 0.00 H new ATOM 0 HA ARG A 384 0.472 5.849 -8.502 1.00 0.00 H new ATOM 0 HB2 ARG A 384 2.903 6.833 -9.712 1.00 0.00 H new ATOM 0 HB3 ARG A 384 3.120 5.133 -9.348 1.00 0.00 H new ATOM 0 HG2 ARG A 384 0.594 6.041 -10.720 1.00 0.00 H new ATOM 0 HG3 ARG A 384 2.073 5.888 -11.647 1.00 0.00 H new ATOM 0 HD2 ARG A 384 2.292 3.543 -11.070 1.00 0.00 H new ATOM 0 HD3 ARG A 384 1.006 3.652 -9.886 1.00 0.00 H new ATOM 0 HE ARG A 384 -0.158 4.448 -12.314 1.00 0.00 H new ATOM 0 HH11 ARG A 384 1.477 1.601 -11.011 1.00 0.00 H new ATOM 0 HH12 ARG A 384 0.593 0.477 -12.048 1.00 0.00 H new ATOM 0 HH21 ARG A 384 -1.287 2.998 -13.638 1.00 0.00 H new ATOM 0 HH22 ARG A 384 -0.965 1.265 -13.529 1.00 0.00 H new ATOM 337 N LEU A 385 1.026 4.622 -6.385 1.00 0.00 N ATOM 338 CA LEU A 385 1.309 3.633 -5.360 1.00 0.00 C ATOM 339 C LEU A 385 1.162 2.248 -5.971 1.00 0.00 C ATOM 340 O LEU A 385 0.379 2.065 -6.903 1.00 0.00 O ATOM 341 CB LEU A 385 0.358 3.813 -4.173 1.00 0.00 C ATOM 342 CG LEU A 385 -1.097 4.084 -4.548 1.00 0.00 C ATOM 343 CD1 LEU A 385 -1.567 3.115 -5.622 1.00 0.00 C ATOM 344 CD2 LEU A 385 -1.977 3.986 -3.316 1.00 0.00 C ATOM 0 H LEU A 385 0.057 4.939 -6.408 1.00 0.00 H new ATOM 0 HA LEU A 385 2.326 3.758 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 385 0.397 2.915 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 385 0.719 4.638 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 385 -1.170 5.094 -4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -2.606 3.327 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -0.948 3.230 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.484 2.093 -5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -3.013 4.181 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -1.897 2.986 -2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -1.654 4.721 -2.579 1.00 0.00 H new ATOM 356 N HIS A 386 1.904 1.270 -5.473 1.00 0.00 N ATOM 357 CA HIS A 386 1.812 -0.075 -6.021 1.00 0.00 C ATOM 358 C HIS A 386 2.186 -1.118 -4.983 1.00 0.00 C ATOM 359 O HIS A 386 2.872 -0.824 -4.004 1.00 0.00 O ATOM 360 CB HIS A 386 2.701 -0.221 -7.257 1.00 0.00 C ATOM 361 CG HIS A 386 4.167 -0.258 -6.950 1.00 0.00 C ATOM 362 ND1 HIS A 386 4.804 -1.365 -6.425 1.00 0.00 N ATOM 363 CD2 HIS A 386 5.126 0.682 -7.112 1.00 0.00 C ATOM 364 CE1 HIS A 386 6.089 -1.101 -6.281 1.00 0.00 C ATOM 365 NE2 HIS A 386 6.312 0.133 -6.690 1.00 0.00 N ATOM 0 H HIS A 386 2.565 1.378 -4.704 1.00 0.00 H new ATOM 0 HA HIS A 386 0.775 -0.240 -6.314 1.00 0.00 H new ATOM 0 HB2 HIS A 386 2.427 -1.135 -7.784 1.00 0.00 H new ATOM 0 HB3 HIS A 386 2.503 0.609 -7.935 1.00 0.00 H new ATOM 0 HD2 HIS A 386 4.985 1.680 -7.501 1.00 0.00 H new ATOM 0 HE1 HIS A 386 6.833 -1.781 -5.893 1.00 0.00 H new ATOM 0 HE2 HIS A 386 7.217 0.603 -6.692 1.00 0.00 H new ATOM 374 N TYR A 387 1.723 -2.337 -5.207 1.00 0.00 N ATOM 375 CA TYR A 387 1.990 -3.438 -4.300 1.00 0.00 C ATOM 376 C TYR A 387 3.099 -4.334 -4.840 1.00 0.00 C ATOM 377 O TYR A 387 2.978 -4.921 -5.916 1.00 0.00 O ATOM 378 CB TYR A 387 0.707 -4.236 -4.073 1.00 0.00 C ATOM 379 CG TYR A 387 -0.479 -3.354 -3.752 1.00 0.00 C ATOM 380 CD1 TYR A 387 -0.528 -2.632 -2.566 1.00 0.00 C ATOM 381 CD2 TYR A 387 -1.542 -3.229 -4.639 1.00 0.00 C ATOM 382 CE1 TYR A 387 -1.598 -1.814 -2.272 1.00 0.00 C ATOM 383 CE2 TYR A 387 -2.620 -2.413 -4.349 1.00 0.00 C ATOM 384 CZ TYR A 387 -2.642 -1.707 -3.165 1.00 0.00 C ATOM 385 OH TYR A 387 -3.711 -0.890 -2.874 1.00 0.00 O ATOM 0 H TYR A 387 1.156 -2.589 -6.017 1.00 0.00 H new ATOM 0 HA TYR A 387 2.330 -3.035 -3.346 1.00 0.00 H new ATOM 0 HB2 TYR A 387 0.487 -4.824 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 387 0.862 -4.941 -3.256 1.00 0.00 H new ATOM 0 HD1 TYR A 387 0.287 -2.713 -1.862 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -1.526 -3.778 -5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -1.618 -1.259 -1.346 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -3.440 -2.329 -5.046 1.00 0.00 H new ATOM 0 HH TYR A 387 -3.467 -0.279 -2.148 1.00 0.00 H new ATOM 395 N VAL A 388 4.181 -4.421 -4.080 1.00 0.00 N ATOM 396 CA VAL A 388 5.335 -5.227 -4.454 1.00 0.00 C ATOM 397 C VAL A 388 5.361 -6.538 -3.676 1.00 0.00 C ATOM 398 O VAL A 388 5.263 -6.536 -2.453 1.00 0.00 O ATOM 399 CB VAL A 388 6.641 -4.460 -4.172 1.00 0.00 C ATOM 400 CG1 VAL A 388 6.560 -3.773 -2.818 1.00 0.00 C ATOM 401 CG2 VAL A 388 7.840 -5.393 -4.233 1.00 0.00 C ATOM 0 H VAL A 388 4.284 -3.936 -3.189 1.00 0.00 H new ATOM 0 HA VAL A 388 5.254 -5.442 -5.520 1.00 0.00 H new ATOM 0 HB VAL A 388 6.771 -3.699 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 388 7.488 -3.233 -2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 388 5.725 -3.072 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 388 6.409 -4.520 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 388 8.751 -4.829 -4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 388 7.727 -6.180 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 388 7.903 -5.840 -5.225 1.00 0.00 H new ATOM 411 N THR A 389 5.506 -7.653 -4.385 1.00 0.00 N ATOM 412 CA THR A 389 5.557 -8.958 -3.738 1.00 0.00 C ATOM 413 C THR A 389 7.000 -9.423 -3.571 1.00 0.00 C ATOM 414 O THR A 389 7.693 -9.694 -4.551 1.00 0.00 O ATOM 415 CB THR A 389 4.777 -10.021 -4.534 1.00 0.00 C ATOM 416 OG1 THR A 389 3.407 -9.642 -4.707 1.00 0.00 O ATOM 417 CG2 THR A 389 4.820 -11.369 -3.825 1.00 0.00 C ATOM 0 H THR A 389 5.590 -7.679 -5.401 1.00 0.00 H new ATOM 0 HA THR A 389 5.092 -8.843 -2.759 1.00 0.00 H new ATOM 0 HB THR A 389 5.255 -10.101 -5.510 1.00 0.00 H new ATOM 0 HG1 THR A 389 3.161 -9.726 -5.652 1.00 0.00 H new ATOM 0 HG21 THR A 389 4.262 -12.104 -4.406 1.00 0.00 H new ATOM 0 HG22 THR A 389 5.855 -11.695 -3.726 1.00 0.00 H new ATOM 0 HG23 THR A 389 4.373 -11.274 -2.835 1.00 0.00 H new ATOM 425 N VAL A 390 7.449 -9.518 -2.322 1.00 0.00 N ATOM 426 CA VAL A 390 8.816 -9.956 -2.038 1.00 0.00 C ATOM 427 C VAL A 390 8.910 -11.474 -2.069 1.00 0.00 C ATOM 428 O VAL A 390 9.884 -12.037 -2.570 1.00 0.00 O ATOM 429 CB VAL A 390 9.331 -9.456 -0.670 1.00 0.00 C ATOM 430 CG1 VAL A 390 10.624 -8.677 -0.844 1.00 0.00 C ATOM 431 CG2 VAL A 390 8.285 -8.609 0.038 1.00 0.00 C ATOM 0 H VAL A 390 6.893 -9.300 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 390 9.442 -9.521 -2.817 1.00 0.00 H new ATOM 0 HB VAL A 390 9.530 -10.327 -0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 390 10.974 -8.331 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 390 11.379 -9.321 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.447 -7.819 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 390 8.678 -8.273 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 390 8.040 -7.743 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 390 7.386 -9.203 0.202 1.00 0.00 H new ATOM 441 N LYS A 391 7.887 -12.131 -1.538 1.00 0.00 N ATOM 442 CA LYS A 391 7.851 -13.588 -1.514 1.00 0.00 C ATOM 443 C LYS A 391 6.430 -14.103 -1.707 1.00 0.00 C ATOM 444 O LYS A 391 5.456 -13.390 -1.470 1.00 0.00 O ATOM 445 CB LYS A 391 8.451 -14.132 -0.206 1.00 0.00 C ATOM 446 CG LYS A 391 7.428 -14.521 0.854 1.00 0.00 C ATOM 447 CD LYS A 391 8.036 -15.443 1.898 1.00 0.00 C ATOM 448 CE LYS A 391 8.249 -16.843 1.346 1.00 0.00 C ATOM 449 NZ LYS A 391 9.336 -17.563 2.065 1.00 0.00 N ATOM 0 H LYS A 391 7.073 -11.680 -1.119 1.00 0.00 H new ATOM 0 HA LYS A 391 8.459 -13.949 -2.344 1.00 0.00 H new ATOM 0 HB2 LYS A 391 9.062 -15.004 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 391 9.118 -13.378 0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 391 7.044 -13.623 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 391 6.580 -15.015 0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 391 8.989 -15.035 2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 391 7.383 -15.489 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 391 7.322 -17.410 1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 391 8.493 -16.782 0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 9.450 -18.514 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 10.227 -17.035 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 9.091 -17.644 3.073 1.00 0.00 H new ATOM 463 N LYS A 392 6.335 -15.353 -2.134 1.00 0.00 N ATOM 464 CA LYS A 392 5.053 -16.003 -2.364 1.00 0.00 C ATOM 465 C LYS A 392 5.080 -17.413 -1.796 1.00 0.00 C ATOM 466 O LYS A 392 6.138 -17.918 -1.422 1.00 0.00 O ATOM 467 CB LYS A 392 4.743 -16.061 -3.861 1.00 0.00 C ATOM 468 CG LYS A 392 5.713 -15.267 -4.724 1.00 0.00 C ATOM 469 CD LYS A 392 6.952 -16.085 -5.055 1.00 0.00 C ATOM 470 CE LYS A 392 7.688 -15.530 -6.266 1.00 0.00 C ATOM 471 NZ LYS A 392 6.832 -15.523 -7.484 1.00 0.00 N ATOM 0 H LYS A 392 7.142 -15.945 -2.331 1.00 0.00 H new ATOM 0 HA LYS A 392 4.276 -15.424 -1.865 1.00 0.00 H new ATOM 0 HB2 LYS A 392 4.753 -17.102 -4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 392 3.733 -15.686 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 392 5.218 -14.963 -5.646 1.00 0.00 H new ATOM 0 HG3 LYS A 392 6.005 -14.355 -4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 392 7.622 -16.094 -4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 392 6.665 -17.119 -5.246 1.00 0.00 H new ATOM 0 HE2 LYS A 392 8.023 -14.515 -6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 392 8.580 -16.128 -6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 7.433 -15.572 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 6.194 -16.344 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 6.270 -14.648 -7.508 1.00 0.00 H new ATOM 485 N PRO A 393 3.920 -18.075 -1.733 1.00 0.00 N ATOM 486 CA PRO A 393 3.828 -19.441 -1.216 1.00 0.00 C ATOM 487 C PRO A 393 4.806 -20.373 -1.919 1.00 0.00 C ATOM 488 O PRO A 393 4.895 -20.379 -3.146 1.00 0.00 O ATOM 489 CB PRO A 393 2.386 -19.839 -1.533 1.00 0.00 C ATOM 490 CG PRO A 393 1.648 -18.549 -1.584 1.00 0.00 C ATOM 491 CD PRO A 393 2.612 -17.554 -2.166 1.00 0.00 C ATOM 0 HA PRO A 393 4.075 -19.504 -0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 393 2.320 -20.372 -2.482 1.00 0.00 H new ATOM 0 HB3 PRO A 393 1.979 -20.500 -0.768 1.00 0.00 H new ATOM 0 HG2 PRO A 393 0.753 -18.634 -2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 393 1.323 -18.244 -0.589 1.00 0.00 H new ATOM 0 HD2 PRO A 393 2.536 -17.505 -3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 393 2.432 -16.548 -1.788 1.00 0.00 H new ATOM 499 N THR A 394 5.541 -21.159 -1.142 1.00 0.00 N ATOM 500 CA THR A 394 6.509 -22.086 -1.709 1.00 0.00 C ATOM 501 C THR A 394 6.586 -23.373 -0.894 1.00 0.00 C ATOM 502 O THR A 394 6.177 -23.412 0.267 1.00 0.00 O ATOM 503 CB THR A 394 7.907 -21.447 -1.800 1.00 0.00 C ATOM 504 OG1 THR A 394 8.549 -21.403 -0.518 1.00 0.00 O ATOM 505 CG2 THR A 394 7.812 -20.028 -2.347 1.00 0.00 C ATOM 0 H THR A 394 5.485 -21.173 -0.124 1.00 0.00 H new ATOM 0 HA THR A 394 6.168 -22.328 -2.715 1.00 0.00 H new ATOM 0 HB THR A 394 8.499 -22.067 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 394 7.942 -21.002 0.138 1.00 0.00 H new ATOM 0 HG21 THR A 394 8.810 -19.593 -2.404 1.00 0.00 H new ATOM 0 HG22 THR A 394 7.368 -20.051 -3.342 1.00 0.00 H new ATOM 0 HG23 THR A 394 7.190 -19.424 -1.686 1.00 0.00 H new ATOM 513 N ALA A 395 7.105 -24.425 -1.514 1.00 0.00 N ATOM 514 CA ALA A 395 7.230 -25.722 -0.857 1.00 0.00 C ATOM 515 C ALA A 395 7.895 -25.591 0.506 1.00 0.00 C ATOM 516 O ALA A 395 7.478 -26.227 1.475 1.00 0.00 O ATOM 517 CB ALA A 395 8.011 -26.695 -1.726 1.00 0.00 C ATOM 0 H ALA A 395 7.448 -24.406 -2.475 1.00 0.00 H new ATOM 0 HA ALA A 395 6.223 -26.112 -0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 395 8.091 -27.655 -1.216 1.00 0.00 H new ATOM 0 HB2 ALA A 395 7.493 -26.831 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 395 9.009 -26.298 -1.911 1.00 0.00 H new ATOM 523 N VAL A 396 8.931 -24.768 0.575 1.00 0.00 N ATOM 524 CA VAL A 396 9.658 -24.555 1.815 1.00 0.00 C ATOM 525 C VAL A 396 8.846 -23.713 2.789 1.00 0.00 C ATOM 526 O VAL A 396 8.883 -23.931 4.000 1.00 0.00 O ATOM 527 CB VAL A 396 11.006 -23.858 1.554 1.00 0.00 C ATOM 528 CG1 VAL A 396 11.711 -24.478 0.358 1.00 0.00 C ATOM 529 CG2 VAL A 396 10.810 -22.362 1.349 1.00 0.00 C ATOM 0 H VAL A 396 9.287 -24.235 -0.218 1.00 0.00 H new ATOM 0 HA VAL A 396 9.839 -25.537 2.253 1.00 0.00 H new ATOM 0 HB VAL A 396 11.637 -24.000 2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 396 12.661 -23.970 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 396 11.894 -25.535 0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 396 11.084 -24.374 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 396 11.775 -21.890 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 396 10.156 -22.195 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 396 10.358 -21.929 2.241 1.00 0.00 H new ATOM 539 N ASP A 397 8.123 -22.740 2.248 1.00 0.00 N ATOM 540 CA ASP A 397 7.311 -21.855 3.068 1.00 0.00 C ATOM 541 C ASP A 397 6.108 -21.332 2.291 1.00 0.00 C ATOM 542 O ASP A 397 6.258 -20.558 1.344 1.00 0.00 O ATOM 543 CB ASP A 397 8.153 -20.676 3.562 1.00 0.00 C ATOM 544 CG ASP A 397 8.665 -20.881 4.974 1.00 0.00 C ATOM 545 OD1 ASP A 397 9.256 -21.948 5.243 1.00 0.00 O ATOM 546 OD2 ASP A 397 8.478 -19.972 5.810 1.00 0.00 O ATOM 0 H ASP A 397 8.084 -22.546 1.247 1.00 0.00 H new ATOM 0 HA ASP A 397 6.948 -22.428 3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 397 8.999 -20.530 2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 397 7.555 -19.765 3.524 1.00 0.00 H new ATOM 551 N PRO A 398 4.891 -21.733 2.688 1.00 0.00 N ATOM 552 CA PRO A 398 3.665 -21.285 2.032 1.00 0.00 C ATOM 553 C PRO A 398 3.271 -19.879 2.476 1.00 0.00 C ATOM 554 O PRO A 398 2.125 -19.630 2.852 1.00 0.00 O ATOM 555 CB PRO A 398 2.633 -22.312 2.494 1.00 0.00 C ATOM 556 CG PRO A 398 3.111 -22.754 3.835 1.00 0.00 C ATOM 557 CD PRO A 398 4.617 -22.644 3.816 1.00 0.00 C ATOM 0 HA PRO A 398 3.763 -21.225 0.948 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.637 -21.873 2.554 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.571 -23.150 1.800 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.687 -22.130 4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.800 -23.779 4.038 1.00 0.00 H new ATOM 0 HD2 PRO A 398 5.000 -22.244 4.755 1.00 0.00 H new ATOM 0 HD3 PRO A 398 5.087 -23.616 3.668 1.00 0.00 H new ATOM 565 N ASN A 399 4.241 -18.967 2.437 1.00 0.00 N ATOM 566 CA ASN A 399 4.017 -17.584 2.838 1.00 0.00 C ATOM 567 C ASN A 399 4.338 -16.618 1.699 1.00 0.00 C ATOM 568 O ASN A 399 5.101 -16.944 0.788 1.00 0.00 O ATOM 569 CB ASN A 399 4.876 -17.243 4.059 1.00 0.00 C ATOM 570 CG ASN A 399 4.870 -18.347 5.100 1.00 0.00 C ATOM 571 OD1 ASN A 399 4.181 -19.356 4.948 1.00 0.00 O ATOM 572 ND2 ASN A 399 5.641 -18.159 6.165 1.00 0.00 N ATOM 0 H ASN A 399 5.193 -19.165 2.130 1.00 0.00 H new ATOM 0 HA ASN A 399 2.963 -17.477 3.093 1.00 0.00 H new ATOM 0 HB2 ASN A 399 5.901 -17.057 3.738 1.00 0.00 H new ATOM 0 HB3 ASN A 399 4.511 -16.321 4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 399 5.679 -18.867 6.899 1.00 0.00 H new ATOM 0 HD22 ASN A 399 6.195 -17.307 6.249 1.00 0.00 H new ATOM 579 N SER A 400 3.762 -15.424 1.774 1.00 0.00 N ATOM 580 CA SER A 400 3.982 -14.384 0.773 1.00 0.00 C ATOM 581 C SER A 400 4.219 -13.047 1.466 1.00 0.00 C ATOM 582 O SER A 400 3.670 -12.794 2.537 1.00 0.00 O ATOM 583 CB SER A 400 2.774 -14.264 -0.159 1.00 0.00 C ATOM 584 OG SER A 400 3.148 -13.725 -1.415 1.00 0.00 O ATOM 0 H SER A 400 3.131 -15.149 2.527 1.00 0.00 H new ATOM 0 HA SER A 400 4.856 -14.655 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 400 2.322 -15.246 -0.301 1.00 0.00 H new ATOM 0 HB3 SER A 400 2.017 -13.629 0.302 1.00 0.00 H new ATOM 0 HG SER A 400 4.024 -13.293 -1.338 1.00 0.00 H new ATOM 590 N ILE A 401 5.023 -12.186 0.854 1.00 0.00 N ATOM 591 CA ILE A 401 5.295 -10.878 1.432 1.00 0.00 C ATOM 592 C ILE A 401 4.964 -9.772 0.443 1.00 0.00 C ATOM 593 O ILE A 401 5.101 -9.942 -0.769 1.00 0.00 O ATOM 594 CB ILE A 401 6.760 -10.733 1.895 1.00 0.00 C ATOM 595 CG1 ILE A 401 7.101 -11.803 2.934 1.00 0.00 C ATOM 596 CG2 ILE A 401 6.990 -9.342 2.473 1.00 0.00 C ATOM 597 CD1 ILE A 401 8.522 -12.311 2.837 1.00 0.00 C ATOM 0 H ILE A 401 5.493 -12.368 -0.033 1.00 0.00 H new ATOM 0 HA ILE A 401 4.655 -10.788 2.310 1.00 0.00 H new ATOM 0 HB ILE A 401 7.414 -10.869 1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 401 6.938 -11.394 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 401 6.415 -12.642 2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 401 8.027 -9.249 2.797 1.00 0.00 H new ATOM 0 HG22 ILE A 401 6.780 -8.592 1.711 1.00 0.00 H new ATOM 0 HG23 ILE A 401 6.328 -9.188 3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 401 8.691 -13.067 3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 401 8.685 -12.750 1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 401 9.215 -11.483 2.984 1.00 0.00 H new ATOM 609 N VAL A 402 4.530 -8.638 0.970 1.00 0.00 N ATOM 610 CA VAL A 402 4.183 -7.508 0.126 1.00 0.00 C ATOM 611 C VAL A 402 4.487 -6.168 0.778 1.00 0.00 C ATOM 612 O VAL A 402 4.335 -5.989 1.987 1.00 0.00 O ATOM 613 CB VAL A 402 2.704 -7.546 -0.299 1.00 0.00 C ATOM 614 CG1 VAL A 402 2.310 -6.244 -0.982 1.00 0.00 C ATOM 615 CG2 VAL A 402 2.445 -8.732 -1.216 1.00 0.00 C ATOM 0 H VAL A 402 4.411 -8.477 1.970 1.00 0.00 H new ATOM 0 HA VAL A 402 4.813 -7.603 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 402 2.091 -7.662 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.261 -6.290 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 402 2.458 -5.412 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 402 2.928 -6.096 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 402 1.395 -8.744 -1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 402 3.068 -8.646 -2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 402 2.687 -9.657 -0.692 1.00 0.00 H new ATOM 625 N GLU A 403 4.894 -5.225 -0.058 1.00 0.00 N ATOM 626 CA GLU A 403 5.206 -3.870 0.376 1.00 0.00 C ATOM 627 C GLU A 403 4.477 -2.878 -0.522 1.00 0.00 C ATOM 628 O GLU A 403 4.314 -3.131 -1.716 1.00 0.00 O ATOM 629 CB GLU A 403 6.715 -3.628 0.321 1.00 0.00 C ATOM 630 CG GLU A 403 7.535 -4.907 0.366 1.00 0.00 C ATOM 631 CD GLU A 403 8.975 -4.694 -0.060 1.00 0.00 C ATOM 632 OE1 GLU A 403 9.747 -4.108 0.729 1.00 0.00 O ATOM 633 OE2 GLU A 403 9.330 -5.114 -1.181 1.00 0.00 O ATOM 0 H GLU A 403 5.018 -5.377 -1.059 1.00 0.00 H new ATOM 0 HA GLU A 403 4.878 -3.735 1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 403 6.955 -3.084 -0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 403 7.004 -2.991 1.157 1.00 0.00 H new ATOM 0 HG2 GLU A 403 7.516 -5.311 1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 403 7.075 -5.652 -0.283 1.00 0.00 H new ATOM 640 N CYS A 404 4.017 -1.763 0.038 1.00 0.00 N ATOM 641 CA CYS A 404 3.294 -0.784 -0.754 1.00 0.00 C ATOM 642 C CYS A 404 4.157 0.419 -1.099 1.00 0.00 C ATOM 643 O CYS A 404 4.291 1.347 -0.301 1.00 0.00 O ATOM 644 CB CYS A 404 2.077 -0.306 0.026 1.00 0.00 C ATOM 645 SG CYS A 404 0.817 -1.572 0.285 1.00 0.00 S ATOM 0 H CYS A 404 4.131 -1.521 1.022 1.00 0.00 H new ATOM 0 HA CYS A 404 2.996 -1.267 -1.685 1.00 0.00 H new ATOM 0 HB2 CYS A 404 2.405 0.067 0.996 1.00 0.00 H new ATOM 0 HB3 CYS A 404 1.628 0.534 -0.503 1.00 0.00 H new ATOM 0 HG CYS A 404 0.023 -1.611 -0.744 1.00 0.00 H new ATOM 651 N ARG A 405 4.750 0.397 -2.285 1.00 0.00 N ATOM 652 CA ARG A 405 5.606 1.486 -2.724 1.00 0.00 C ATOM 653 C ARG A 405 4.808 2.540 -3.478 1.00 0.00 C ATOM 654 O ARG A 405 3.582 2.471 -3.556 1.00 0.00 O ATOM 655 CB ARG A 405 6.741 0.952 -3.598 1.00 0.00 C ATOM 656 CG ARG A 405 7.179 -0.461 -3.235 1.00 0.00 C ATOM 657 CD ARG A 405 8.607 -0.486 -2.717 1.00 0.00 C ATOM 658 NE ARG A 405 9.548 0.064 -3.688 1.00 0.00 N ATOM 659 CZ ARG A 405 10.174 -0.666 -4.607 1.00 0.00 C ATOM 660 NH1 ARG A 405 9.954 -1.971 -4.689 1.00 0.00 N ATOM 661 NH2 ARG A 405 11.017 -0.088 -5.451 1.00 0.00 N ATOM 0 H ARG A 405 4.653 -0.363 -2.958 1.00 0.00 H new ATOM 0 HA ARG A 405 6.035 1.956 -1.839 1.00 0.00 H new ATOM 0 HB2 ARG A 405 6.424 0.968 -4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 405 7.597 1.621 -3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 405 6.509 -0.867 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 405 7.097 -1.105 -4.111 1.00 0.00 H new ATOM 0 HD2 ARG A 405 8.667 0.084 -1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 405 8.889 -1.512 -2.479 1.00 0.00 H new ATOM 0 HE ARG A 405 9.736 1.066 -3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 405 9.302 -2.420 -4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 405 10.437 -2.526 -5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 405 11.186 0.916 -5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 405 11.497 -0.648 -6.156 1.00 0.00 H new ATOM 675 N VAL A 406 5.513 3.526 -4.024 1.00 0.00 N ATOM 676 CA VAL A 406 4.862 4.597 -4.760 1.00 0.00 C ATOM 677 C VAL A 406 5.776 5.184 -5.827 1.00 0.00 C ATOM 678 O VAL A 406 6.975 4.908 -5.858 1.00 0.00 O ATOM 679 CB VAL A 406 4.385 5.719 -3.813 1.00 0.00 C ATOM 680 CG1 VAL A 406 2.873 5.677 -3.660 1.00 0.00 C ATOM 681 CG2 VAL A 406 5.062 5.599 -2.454 1.00 0.00 C ATOM 0 H VAL A 406 6.529 3.603 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 406 3.995 4.156 -5.252 1.00 0.00 H new ATOM 0 HB VAL A 406 4.663 6.678 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 406 2.553 6.474 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 406 2.405 5.813 -4.635 1.00 0.00 H new ATOM 0 HG13 VAL A 406 2.576 4.713 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 406 4.712 6.399 -1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 406 4.817 4.635 -2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 406 6.142 5.678 -2.577 1.00 0.00 H new ATOM 691 N GLY A 407 5.190 5.985 -6.710 1.00 0.00 N ATOM 692 CA GLY A 407 5.948 6.594 -7.785 1.00 0.00 C ATOM 693 C GLY A 407 7.282 7.161 -7.331 1.00 0.00 C ATOM 694 O GLY A 407 8.209 7.283 -8.131 1.00 0.00 O ATOM 0 H GLY A 407 4.198 6.224 -6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 407 6.122 5.851 -8.564 1.00 0.00 H new ATOM 0 HA3 GLY A 407 5.355 7.392 -8.232 1.00 0.00 H new ATOM 698 N ASP A 408 7.380 7.517 -6.054 1.00 0.00 N ATOM 699 CA ASP A 408 8.612 8.086 -5.516 1.00 0.00 C ATOM 700 C ASP A 408 9.594 6.998 -5.085 1.00 0.00 C ATOM 701 O ASP A 408 10.657 7.292 -4.536 1.00 0.00 O ATOM 702 CB ASP A 408 8.304 9.007 -4.337 1.00 0.00 C ATOM 703 CG ASP A 408 9.381 10.054 -4.129 1.00 0.00 C ATOM 704 OD1 ASP A 408 9.367 11.070 -4.856 1.00 0.00 O ATOM 705 OD2 ASP A 408 10.239 9.855 -3.244 1.00 0.00 O ATOM 0 H ASP A 408 6.625 7.422 -5.375 1.00 0.00 H new ATOM 0 HA ASP A 408 9.080 8.665 -6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 408 7.347 9.501 -4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 408 8.200 8.411 -3.430 1.00 0.00 H new ATOM 710 N GLY A 409 9.241 5.744 -5.343 1.00 0.00 N ATOM 711 CA GLY A 409 10.109 4.638 -4.982 1.00 0.00 C ATOM 712 C GLY A 409 10.154 4.379 -3.487 1.00 0.00 C ATOM 713 O GLY A 409 10.974 3.591 -3.015 1.00 0.00 O ATOM 0 H GLY A 409 8.368 5.473 -5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 409 9.769 3.736 -5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 409 11.118 4.844 -5.339 1.00 0.00 H new ATOM 717 N THR A 410 9.269 5.034 -2.738 1.00 0.00 N ATOM 718 CA THR A 410 9.218 4.853 -1.292 1.00 0.00 C ATOM 719 C THR A 410 8.118 3.881 -0.904 1.00 0.00 C ATOM 720 O THR A 410 7.050 3.855 -1.515 1.00 0.00 O ATOM 721 CB THR A 410 8.973 6.180 -0.548 1.00 0.00 C ATOM 722 OG1 THR A 410 9.452 7.303 -1.299 1.00 0.00 O ATOM 723 CG2 THR A 410 9.664 6.171 0.806 1.00 0.00 C ATOM 0 H THR A 410 8.582 5.691 -3.108 1.00 0.00 H new ATOM 0 HA THR A 410 10.191 4.457 -1.002 1.00 0.00 H new ATOM 0 HB THR A 410 7.895 6.275 -0.416 1.00 0.00 H new ATOM 0 HG1 THR A 410 9.279 8.128 -0.799 1.00 0.00 H new ATOM 0 HG21 THR A 410 9.479 7.117 1.315 1.00 0.00 H new ATOM 0 HG22 THR A 410 9.273 5.352 1.409 1.00 0.00 H new ATOM 0 HG23 THR A 410 10.737 6.038 0.666 1.00 0.00 H new ATOM 731 N VAL A 411 8.382 3.086 0.123 1.00 0.00 N ATOM 732 CA VAL A 411 7.410 2.117 0.603 1.00 0.00 C ATOM 733 C VAL A 411 6.552 2.724 1.704 1.00 0.00 C ATOM 734 O VAL A 411 7.018 2.931 2.824 1.00 0.00 O ATOM 735 CB VAL A 411 8.094 0.840 1.129 1.00 0.00 C ATOM 736 CG1 VAL A 411 7.155 -0.350 1.015 1.00 0.00 C ATOM 737 CG2 VAL A 411 9.387 0.578 0.370 1.00 0.00 C ATOM 0 H VAL A 411 9.262 3.094 0.639 1.00 0.00 H new ATOM 0 HA VAL A 411 6.778 1.845 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 411 8.338 0.985 2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 411 7.653 -1.244 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 411 6.256 -0.162 1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 411 6.882 -0.499 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 411 9.857 -0.327 0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 411 9.167 0.451 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 411 10.064 1.422 0.502 1.00 0.00 H new ATOM 747 N LEU A 412 5.297 3.022 1.377 1.00 0.00 N ATOM 748 CA LEU A 412 4.385 3.619 2.347 1.00 0.00 C ATOM 749 C LEU A 412 3.721 2.554 3.202 1.00 0.00 C ATOM 750 O LEU A 412 3.207 2.848 4.282 1.00 0.00 O ATOM 751 CB LEU A 412 3.315 4.483 1.665 1.00 0.00 C ATOM 752 CG LEU A 412 2.622 3.882 0.441 1.00 0.00 C ATOM 753 CD1 LEU A 412 1.509 2.937 0.863 1.00 0.00 C ATOM 754 CD2 LEU A 412 2.066 4.998 -0.428 1.00 0.00 C ATOM 0 H LEU A 412 4.891 2.861 0.455 1.00 0.00 H new ATOM 0 HA LEU A 412 4.984 4.264 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 412 2.551 4.724 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 412 3.777 5.424 1.366 1.00 0.00 H new ATOM 0 HG LEU A 412 3.352 3.310 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 412 1.030 2.521 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 412 1.926 2.129 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 412 0.772 3.483 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 412 1.572 4.569 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 412 1.346 5.582 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 412 2.880 5.645 -0.754 1.00 0.00 H new ATOM 766 N GLY A 413 3.733 1.316 2.725 1.00 0.00 N ATOM 767 CA GLY A 413 3.123 0.240 3.474 1.00 0.00 C ATOM 768 C GLY A 413 3.885 -1.059 3.354 1.00 0.00 C ATOM 769 O GLY A 413 4.786 -1.191 2.525 1.00 0.00 O ATOM 0 H GLY A 413 4.153 1.041 1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 413 3.060 0.524 4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 413 2.102 0.091 3.123 1.00 0.00 H new ATOM 773 N THR A 414 3.516 -2.020 4.185 1.00 0.00 N ATOM 774 CA THR A 414 4.151 -3.326 4.185 1.00 0.00 C ATOM 775 C THR A 414 3.257 -4.331 4.900 1.00 0.00 C ATOM 776 O THR A 414 2.668 -4.015 5.933 1.00 0.00 O ATOM 777 CB THR A 414 5.533 -3.276 4.866 1.00 0.00 C ATOM 778 OG1 THR A 414 6.468 -2.520 4.086 1.00 0.00 O ATOM 779 CG2 THR A 414 6.096 -4.672 5.069 1.00 0.00 C ATOM 0 H THR A 414 2.772 -1.917 4.875 1.00 0.00 H new ATOM 0 HA THR A 414 4.296 -3.635 3.150 1.00 0.00 H new ATOM 0 HB THR A 414 5.389 -2.795 5.833 1.00 0.00 H new ATOM 0 HG1 THR A 414 6.047 -2.248 3.244 1.00 0.00 H new ATOM 0 HG21 THR A 414 7.071 -4.604 5.551 1.00 0.00 H new ATOM 0 HG22 THR A 414 5.419 -5.249 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 414 6.202 -5.165 4.103 1.00 0.00 H new ATOM 787 N GLY A 415 3.144 -5.538 4.355 1.00 0.00 N ATOM 788 CA GLY A 415 2.302 -6.540 4.978 1.00 0.00 C ATOM 789 C GLY A 415 2.532 -7.928 4.417 1.00 0.00 C ATOM 790 O GLY A 415 2.818 -8.090 3.231 1.00 0.00 O ATOM 0 H GLY A 415 3.616 -5.837 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 415 2.491 -6.551 6.052 1.00 0.00 H new ATOM 0 HA3 GLY A 415 1.256 -6.266 4.841 1.00 0.00 H new ATOM 794 N VAL A 416 2.404 -8.933 5.276 1.00 0.00 N ATOM 795 CA VAL A 416 2.598 -10.318 4.874 1.00 0.00 C ATOM 796 C VAL A 416 1.287 -11.097 4.955 1.00 0.00 C ATOM 797 O VAL A 416 0.451 -10.837 5.820 1.00 0.00 O ATOM 798 CB VAL A 416 3.677 -11.001 5.755 1.00 0.00 C ATOM 799 CG1 VAL A 416 3.368 -12.476 5.991 1.00 0.00 C ATOM 800 CG2 VAL A 416 5.050 -10.843 5.127 1.00 0.00 C ATOM 0 H VAL A 416 2.165 -8.811 6.260 1.00 0.00 H new ATOM 0 HA VAL A 416 2.940 -10.320 3.839 1.00 0.00 H new ATOM 0 HB VAL A 416 3.670 -10.505 6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 416 4.148 -12.916 6.612 1.00 0.00 H new ATOM 0 HG12 VAL A 416 2.406 -12.570 6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 416 3.329 -12.997 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 416 5.796 -11.327 5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 416 5.054 -11.305 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.287 -9.783 5.033 1.00 0.00 H new ATOM 810 N GLY A 417 1.125 -12.062 4.055 1.00 0.00 N ATOM 811 CA GLY A 417 -0.074 -12.878 4.050 1.00 0.00 C ATOM 812 C GLY A 417 0.130 -14.182 3.304 1.00 0.00 C ATOM 813 O GLY A 417 1.105 -14.339 2.565 1.00 0.00 O ATOM 0 H GLY A 417 1.803 -12.293 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 417 -0.372 -13.090 5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 417 -0.890 -12.321 3.590 1.00 0.00 H new ATOM 817 N ARG A 418 -0.790 -15.119 3.497 1.00 0.00 N ATOM 818 CA ARG A 418 -0.718 -16.417 2.838 1.00 0.00 C ATOM 819 C ARG A 418 -0.321 -16.258 1.376 1.00 0.00 C ATOM 820 O ARG A 418 0.600 -16.916 0.890 1.00 0.00 O ATOM 821 CB ARG A 418 -2.071 -17.117 2.928 1.00 0.00 C ATOM 822 CG ARG A 418 -3.218 -16.247 2.455 1.00 0.00 C ATOM 823 CD ARG A 418 -4.456 -16.446 3.309 1.00 0.00 C ATOM 824 NE ARG A 418 -4.916 -17.829 3.297 1.00 0.00 N ATOM 825 CZ ARG A 418 -6.161 -18.186 3.587 1.00 0.00 C ATOM 826 NH1 ARG A 418 -7.054 -17.261 3.909 1.00 0.00 N ATOM 827 NH2 ARG A 418 -6.512 -19.464 3.558 1.00 0.00 N ATOM 0 H ARG A 418 -1.599 -15.003 4.108 1.00 0.00 H new ATOM 0 HA ARG A 418 0.039 -17.018 3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -2.043 -18.029 2.331 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -2.251 -17.417 3.960 1.00 0.00 H new ATOM 0 HG2 ARG A 418 -2.918 -15.200 2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -3.450 -16.482 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 418 -4.240 -16.145 4.334 1.00 0.00 H new ATOM 0 HD3 ARG A 418 -5.253 -15.796 2.947 1.00 0.00 H new ATOM 0 HE ARG A 418 -4.247 -18.560 3.053 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -6.784 -16.278 3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -8.012 -17.532 4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -5.824 -20.176 3.312 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -7.470 -19.735 3.781 1.00 0.00 H new ATOM 841 N ASN A 419 -1.030 -15.379 0.684 1.00 0.00 N ATOM 842 CA ASN A 419 -0.776 -15.115 -0.722 1.00 0.00 C ATOM 843 C ASN A 419 -0.443 -13.641 -0.924 1.00 0.00 C ATOM 844 O ASN A 419 -0.446 -12.861 0.028 1.00 0.00 O ATOM 845 CB ASN A 419 -2.001 -15.501 -1.555 1.00 0.00 C ATOM 846 CG ASN A 419 -1.654 -16.384 -2.737 1.00 0.00 C ATOM 847 OD1 ASN A 419 -1.892 -16.019 -3.889 1.00 0.00 O ATOM 848 ND2 ASN A 419 -1.092 -17.555 -2.461 1.00 0.00 N ATOM 0 H ASN A 419 -1.794 -14.831 1.080 1.00 0.00 H new ATOM 0 HA ASN A 419 0.074 -15.714 -1.049 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -2.719 -16.019 -0.919 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -2.490 -14.596 -1.915 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -0.840 -18.191 -3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -0.912 -17.819 -1.492 1.00 0.00 H new ATOM 855 N ILE A 420 -0.153 -13.261 -2.161 1.00 0.00 N ATOM 856 CA ILE A 420 0.184 -11.878 -2.464 1.00 0.00 C ATOM 857 C ILE A 420 -0.982 -10.946 -2.155 1.00 0.00 C ATOM 858 O ILE A 420 -0.816 -9.727 -2.107 1.00 0.00 O ATOM 859 CB ILE A 420 0.604 -11.712 -3.936 1.00 0.00 C ATOM 860 CG1 ILE A 420 2.007 -12.282 -4.137 1.00 0.00 C ATOM 861 CG2 ILE A 420 0.551 -10.247 -4.345 1.00 0.00 C ATOM 862 CD1 ILE A 420 2.017 -13.606 -4.868 1.00 0.00 C ATOM 0 H ILE A 420 -0.144 -13.887 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 420 1.028 -11.609 -1.829 1.00 0.00 H new ATOM 0 HB ILE A 420 -0.092 -12.261 -4.570 1.00 0.00 H new ATOM 0 HG12 ILE A 420 2.607 -11.563 -4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 420 2.483 -12.408 -3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 420 0.851 -10.149 -5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.465 -9.872 -4.223 1.00 0.00 H new ATOM 0 HG23 ILE A 420 1.229 -9.669 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 420 3.044 -13.954 -4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 420 1.444 -14.339 -4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.570 -13.480 -5.854 1.00 0.00 H new ATOM 874 N LYS A 421 -2.158 -11.522 -1.944 1.00 0.00 N ATOM 875 CA LYS A 421 -3.335 -10.735 -1.637 1.00 0.00 C ATOM 876 C LYS A 421 -3.380 -10.379 -0.159 1.00 0.00 C ATOM 877 O LYS A 421 -3.402 -9.210 0.203 1.00 0.00 O ATOM 878 CB LYS A 421 -4.594 -11.496 -2.026 1.00 0.00 C ATOM 879 CG LYS A 421 -5.861 -10.792 -1.604 1.00 0.00 C ATOM 880 CD LYS A 421 -5.732 -9.289 -1.774 1.00 0.00 C ATOM 881 CE LYS A 421 -5.570 -8.919 -3.235 1.00 0.00 C ATOM 882 NZ LYS A 421 -6.859 -8.512 -3.861 1.00 0.00 N ATOM 0 H LYS A 421 -2.318 -12.529 -1.981 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.284 -9.811 -2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.607 -11.639 -3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.567 -12.487 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.699 -11.158 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -6.081 -11.026 -0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.615 -8.796 -1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -4.874 -8.928 -1.206 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -4.852 -8.104 -3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -5.157 -9.768 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -7.205 -9.278 -4.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.560 -8.320 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -6.713 -7.653 -4.430 1.00 0.00 H new ATOM 896 N ILE A 422 -3.381 -11.389 0.693 1.00 0.00 N ATOM 897 CA ILE A 422 -3.415 -11.154 2.125 1.00 0.00 C ATOM 898 C ILE A 422 -2.271 -10.251 2.522 1.00 0.00 C ATOM 899 O ILE A 422 -2.424 -9.356 3.353 1.00 0.00 O ATOM 900 CB ILE A 422 -3.350 -12.463 2.917 1.00 0.00 C ATOM 901 CG1 ILE A 422 -4.616 -13.296 2.685 1.00 0.00 C ATOM 902 CG2 ILE A 422 -3.157 -12.175 4.398 1.00 0.00 C ATOM 903 CD1 ILE A 422 -5.790 -12.526 2.089 1.00 0.00 C ATOM 0 H ILE A 422 -3.359 -12.372 0.421 1.00 0.00 H new ATOM 0 HA ILE A 422 -4.363 -10.672 2.363 1.00 0.00 H new ATOM 0 HB ILE A 422 -2.495 -13.041 2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 422 -4.371 -14.126 2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 422 -4.929 -13.728 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 422 -3.113 -13.115 4.949 1.00 0.00 H new ATOM 0 HG22 ILE A 422 -2.227 -11.625 4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 422 -3.993 -11.579 4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -6.639 -13.198 1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -6.069 -11.712 2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -5.503 -12.117 1.121 1.00 0.00 H new ATOM 915 N ALA A 423 -1.129 -10.459 1.886 1.00 0.00 N ATOM 916 CA ALA A 423 0.018 -9.622 2.143 1.00 0.00 C ATOM 917 C ALA A 423 -0.301 -8.223 1.636 1.00 0.00 C ATOM 918 O ALA A 423 -0.213 -7.243 2.372 1.00 0.00 O ATOM 919 CB ALA A 423 1.267 -10.170 1.474 1.00 0.00 C ATOM 0 H ALA A 423 -0.978 -11.194 1.196 1.00 0.00 H new ATOM 0 HA ALA A 423 0.223 -9.598 3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 423 2.112 -9.515 1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 423 1.476 -11.169 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 423 1.111 -10.220 0.396 1.00 0.00 H new ATOM 925 N GLY A 424 -0.698 -8.154 0.366 1.00 0.00 N ATOM 926 CA GLY A 424 -1.063 -6.886 -0.237 1.00 0.00 C ATOM 927 C GLY A 424 -2.122 -6.177 0.578 1.00 0.00 C ATOM 928 O GLY A 424 -2.003 -4.984 0.860 1.00 0.00 O ATOM 0 H GLY A 424 -0.773 -8.959 -0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -0.180 -6.252 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -1.431 -7.054 -1.249 1.00 0.00 H new ATOM 932 N ILE A 425 -3.147 -6.923 0.989 1.00 0.00 N ATOM 933 CA ILE A 425 -4.206 -6.362 1.812 1.00 0.00 C ATOM 934 C ILE A 425 -3.589 -5.783 3.081 1.00 0.00 C ATOM 935 O ILE A 425 -3.719 -4.594 3.376 1.00 0.00 O ATOM 936 CB ILE A 425 -5.252 -7.427 2.207 1.00 0.00 C ATOM 937 CG1 ILE A 425 -5.938 -7.988 0.966 1.00 0.00 C ATOM 938 CG2 ILE A 425 -6.282 -6.837 3.158 1.00 0.00 C ATOM 939 CD1 ILE A 425 -6.314 -9.444 1.087 1.00 0.00 C ATOM 0 H ILE A 425 -3.262 -7.911 0.765 1.00 0.00 H new ATOM 0 HA ILE A 425 -4.712 -5.589 1.233 1.00 0.00 H new ATOM 0 HB ILE A 425 -4.736 -8.241 2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -6.837 -7.405 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -5.277 -7.863 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 425 -7.011 -7.602 3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 425 -5.783 -6.481 4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 425 -6.791 -6.005 2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -6.797 -9.773 0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -5.417 -10.039 1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 425 -7.000 -9.574 1.924 1.00 0.00 H new ATOM 951 N ARG A 426 -2.912 -6.658 3.820 1.00 0.00 N ATOM 952 CA ARG A 426 -2.248 -6.292 5.068 1.00 0.00 C ATOM 953 C ARG A 426 -1.338 -5.080 4.891 1.00 0.00 C ATOM 954 O ARG A 426 -1.292 -4.206 5.750 1.00 0.00 O ATOM 955 CB ARG A 426 -1.434 -7.479 5.577 1.00 0.00 C ATOM 956 CG ARG A 426 -1.342 -7.560 7.094 1.00 0.00 C ATOM 957 CD ARG A 426 -0.181 -6.736 7.630 1.00 0.00 C ATOM 958 NE ARG A 426 -0.580 -5.900 8.760 1.00 0.00 N ATOM 959 CZ ARG A 426 0.282 -5.286 9.567 1.00 0.00 C ATOM 960 NH1 ARG A 426 1.588 -5.434 9.386 1.00 0.00 N ATOM 961 NH2 ARG A 426 -0.163 -4.529 10.559 1.00 0.00 N ATOM 0 H ARG A 426 -2.808 -7.641 3.570 1.00 0.00 H new ATOM 0 HA ARG A 426 -3.016 -6.026 5.794 1.00 0.00 H new ATOM 0 HB2 ARG A 426 -1.879 -8.400 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 426 -0.427 -7.420 5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 426 -2.274 -7.206 7.535 1.00 0.00 H new ATOM 0 HG3 ARG A 426 -1.221 -8.600 7.397 1.00 0.00 H new ATOM 0 HD2 ARG A 426 0.625 -7.402 7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 426 0.214 -6.105 6.834 1.00 0.00 H new ATOM 0 HE ARG A 426 -1.577 -5.780 8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 426 1.934 -6.020 8.626 1.00 0.00 H new ATOM 0 HH12 ARG A 426 2.246 -4.962 10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 426 -1.166 -4.417 10.704 1.00 0.00 H new ATOM 0 HH22 ARG A 426 0.498 -4.058 11.177 1.00 0.00 H new ATOM 975 N ALA A 427 -0.610 -5.039 3.778 1.00 0.00 N ATOM 976 CA ALA A 427 0.301 -3.932 3.491 1.00 0.00 C ATOM 977 C ALA A 427 -0.479 -2.657 3.205 1.00 0.00 C ATOM 978 O ALA A 427 -0.353 -1.665 3.922 1.00 0.00 O ATOM 979 CB ALA A 427 1.210 -4.264 2.318 1.00 0.00 C ATOM 0 H ALA A 427 -0.633 -5.761 3.058 1.00 0.00 H new ATOM 0 HA ALA A 427 0.922 -3.773 4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.877 -3.424 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.800 -5.150 2.554 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.605 -4.457 1.432 1.00 0.00 H new ATOM 985 N ALA A 428 -1.285 -2.693 2.151 1.00 0.00 N ATOM 986 CA ALA A 428 -2.083 -1.531 1.779 1.00 0.00 C ATOM 987 C ALA A 428 -2.625 -0.922 3.057 1.00 0.00 C ATOM 988 O ALA A 428 -2.521 0.281 3.296 1.00 0.00 O ATOM 989 CB ALA A 428 -3.216 -1.915 0.844 1.00 0.00 C ATOM 0 H ALA A 428 -1.403 -3.505 1.544 1.00 0.00 H new ATOM 0 HA ALA A 428 -1.465 -0.811 1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -3.792 -1.026 0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -2.805 -2.357 -0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -3.866 -2.638 1.338 1.00 0.00 H new ATOM 995 N GLU A 429 -3.173 -1.794 3.884 1.00 0.00 N ATOM 996 CA GLU A 429 -3.709 -1.420 5.174 1.00 0.00 C ATOM 997 C GLU A 429 -2.591 -0.918 6.086 1.00 0.00 C ATOM 998 O GLU A 429 -2.722 0.095 6.761 1.00 0.00 O ATOM 999 CB GLU A 429 -4.359 -2.642 5.796 1.00 0.00 C ATOM 1000 CG GLU A 429 -5.778 -2.397 6.276 1.00 0.00 C ATOM 1001 CD GLU A 429 -5.862 -2.243 7.781 1.00 0.00 C ATOM 1002 OE1 GLU A 429 -5.478 -3.193 8.496 1.00 0.00 O ATOM 1003 OE2 GLU A 429 -6.314 -1.175 8.245 1.00 0.00 O ATOM 0 H GLU A 429 -3.258 -2.789 3.675 1.00 0.00 H new ATOM 0 HA GLU A 429 -4.441 -0.622 5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 429 -4.366 -3.451 5.066 1.00 0.00 H new ATOM 0 HB3 GLU A 429 -3.752 -2.977 6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 429 -6.169 -1.498 5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 429 -6.413 -3.226 5.963 1.00 0.00 H new ATOM 1010 N ASN A 430 -1.493 -1.653 6.086 1.00 0.00 N ATOM 1011 CA ASN A 430 -0.349 -1.298 6.913 1.00 0.00 C ATOM 1012 C ASN A 430 -0.097 0.189 6.769 1.00 0.00 C ATOM 1013 O ASN A 430 -0.109 0.936 7.747 1.00 0.00 O ATOM 1014 CB ASN A 430 0.885 -2.083 6.493 1.00 0.00 C ATOM 1015 CG ASN A 430 2.152 -1.555 7.136 1.00 0.00 C ATOM 1016 OD1 ASN A 430 2.547 -0.411 6.909 1.00 0.00 O ATOM 1017 ND2 ASN A 430 2.796 -2.386 7.945 1.00 0.00 N ATOM 0 H ASN A 430 -1.368 -2.496 5.526 1.00 0.00 H new ATOM 0 HA ASN A 430 -0.561 -1.544 7.954 1.00 0.00 H new ATOM 0 HB2 ASN A 430 0.754 -3.131 6.761 1.00 0.00 H new ATOM 0 HB3 ASN A 430 0.987 -2.042 5.409 1.00 0.00 H new ATOM 0 HD21 ASN A 430 3.654 -2.085 8.407 1.00 0.00 H new ATOM 0 HD22 ASN A 430 2.433 -3.326 8.105 1.00 0.00 H new ATOM 1024 N ALA A 431 0.088 0.619 5.532 1.00 0.00 N ATOM 1025 CA ALA A 431 0.291 2.025 5.248 1.00 0.00 C ATOM 1026 C ALA A 431 -0.939 2.789 5.701 1.00 0.00 C ATOM 1027 O ALA A 431 -0.848 3.863 6.296 1.00 0.00 O ATOM 1028 CB ALA A 431 0.532 2.251 3.766 1.00 0.00 C ATOM 0 H ALA A 431 0.101 0.014 4.711 1.00 0.00 H new ATOM 0 HA ALA A 431 1.172 2.379 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 431 0.681 3.315 3.580 1.00 0.00 H new ATOM 0 HB2 ALA A 431 1.419 1.700 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 431 -0.331 1.901 3.200 1.00 0.00 H new ATOM 1034 N LEU A 432 -2.094 2.199 5.422 1.00 0.00 N ATOM 1035 CA LEU A 432 -3.373 2.783 5.803 1.00 0.00 C ATOM 1036 C LEU A 432 -3.415 3.057 7.300 1.00 0.00 C ATOM 1037 O LEU A 432 -3.930 4.085 7.741 1.00 0.00 O ATOM 1038 CB LEU A 432 -4.493 1.821 5.418 1.00 0.00 C ATOM 1039 CG LEU A 432 -5.904 2.226 5.819 1.00 0.00 C ATOM 1040 CD1 LEU A 432 -6.891 1.274 5.175 1.00 0.00 C ATOM 1041 CD2 LEU A 432 -6.071 2.215 7.331 1.00 0.00 C ATOM 0 H LEU A 432 -2.171 1.309 4.929 1.00 0.00 H new ATOM 0 HA LEU A 432 -3.503 3.731 5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -4.471 1.687 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -4.277 0.850 5.864 1.00 0.00 H new ATOM 0 HG LEU A 432 -6.091 3.243 5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -7.905 1.556 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -6.789 1.322 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -6.690 0.258 5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -7.089 2.509 7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -5.876 1.212 7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -5.368 2.916 7.780 1.00 0.00 H new ATOM 1053 N ARG A 433 -2.874 2.125 8.077 1.00 0.00 N ATOM 1054 CA ARG A 433 -2.856 2.260 9.528 1.00 0.00 C ATOM 1055 C ARG A 433 -2.141 3.539 9.941 1.00 0.00 C ATOM 1056 O ARG A 433 -2.297 4.018 11.065 1.00 0.00 O ATOM 1057 CB ARG A 433 -2.167 1.056 10.174 1.00 0.00 C ATOM 1058 CG ARG A 433 -2.304 -0.236 9.387 1.00 0.00 C ATOM 1059 CD ARG A 433 -3.751 -0.513 9.023 1.00 0.00 C ATOM 1060 NE ARG A 433 -4.539 -0.871 10.196 1.00 0.00 N ATOM 1061 CZ ARG A 433 -4.433 -2.039 10.820 1.00 0.00 C ATOM 1062 NH1 ARG A 433 -3.608 -2.966 10.357 1.00 0.00 N ATOM 1063 NH2 ARG A 433 -5.151 -2.281 11.907 1.00 0.00 N ATOM 0 H ARG A 433 -2.443 1.270 7.727 1.00 0.00 H new ATOM 0 HA ARG A 433 -3.889 2.305 9.872 1.00 0.00 H new ATOM 0 HB2 ARG A 433 -1.108 1.282 10.299 1.00 0.00 H new ATOM 0 HB3 ARG A 433 -2.581 0.907 11.171 1.00 0.00 H new ATOM 0 HG2 ARG A 433 -1.704 -0.176 8.479 1.00 0.00 H new ATOM 0 HG3 ARG A 433 -1.910 -1.065 9.975 1.00 0.00 H new ATOM 0 HD2 ARG A 433 -4.183 0.368 8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 433 -3.795 -1.322 8.293 1.00 0.00 H new ATOM 0 HE ARG A 433 -5.207 -0.189 10.556 1.00 0.00 H new ATOM 0 HH11 ARG A 433 -3.053 -2.783 9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 433 -3.527 -3.862 10.837 1.00 0.00 H new ATOM 0 HH21 ARG A 433 -5.787 -1.570 12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 433 -5.067 -3.179 12.384 1.00 0.00 H new ATOM 1077 N ASP A 434 -1.351 4.085 9.025 1.00 0.00 N ATOM 1078 CA ASP A 434 -0.601 5.303 9.288 1.00 0.00 C ATOM 1079 C ASP A 434 -1.277 6.519 8.663 1.00 0.00 C ATOM 1080 O ASP A 434 -1.302 6.676 7.443 1.00 0.00 O ATOM 1081 CB ASP A 434 0.832 5.177 8.771 1.00 0.00 C ATOM 1082 CG ASP A 434 1.780 4.645 9.828 1.00 0.00 C ATOM 1083 OD1 ASP A 434 1.477 4.798 11.029 1.00 0.00 O ATOM 1084 OD2 ASP A 434 2.829 4.079 9.453 1.00 0.00 O ATOM 0 H ASP A 434 -1.214 3.700 8.090 1.00 0.00 H new ATOM 0 HA ASP A 434 -0.576 5.446 10.368 1.00 0.00 H new ATOM 0 HB2 ASP A 434 0.847 4.514 7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 434 1.180 6.152 8.431 1.00 0.00 H new ATOM 1089 N LYS A 435 -1.809 7.381 9.512 1.00 0.00 N ATOM 1090 CA LYS A 435 -2.463 8.599 9.048 1.00 0.00 C ATOM 1091 C LYS A 435 -1.416 9.584 8.551 1.00 0.00 C ATOM 1092 O LYS A 435 -1.505 10.100 7.441 1.00 0.00 O ATOM 1093 CB LYS A 435 -3.284 9.228 10.171 1.00 0.00 C ATOM 1094 CG LYS A 435 -4.283 10.259 9.678 1.00 0.00 C ATOM 1095 CD LYS A 435 -5.714 9.776 9.854 1.00 0.00 C ATOM 1096 CE LYS A 435 -6.193 8.993 8.644 1.00 0.00 C ATOM 1097 NZ LYS A 435 -7.661 8.742 8.689 1.00 0.00 N ATOM 0 H LYS A 435 -1.803 7.263 10.525 1.00 0.00 H new ATOM 0 HA LYS A 435 -3.137 8.346 8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -3.817 8.442 10.706 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -2.609 9.699 10.886 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -4.143 11.192 10.223 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -4.097 10.473 8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -5.780 9.149 10.743 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -6.370 10.631 10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -5.947 9.542 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -5.664 8.042 8.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -7.947 8.205 7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -7.894 8.196 9.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -8.168 9.650 8.710 1.00 0.00 H new ATOM 1111 N LYS A 436 -0.444 9.864 9.406 1.00 0.00 N ATOM 1112 CA LYS A 436 0.603 10.817 9.079 1.00 0.00 C ATOM 1113 C LYS A 436 0.983 10.698 7.612 1.00 0.00 C ATOM 1114 O LYS A 436 0.985 11.689 6.882 1.00 0.00 O ATOM 1115 CB LYS A 436 1.833 10.590 9.962 1.00 0.00 C ATOM 1116 CG LYS A 436 2.050 11.681 10.998 1.00 0.00 C ATOM 1117 CD LYS A 436 3.055 12.716 10.518 1.00 0.00 C ATOM 1118 CE LYS A 436 2.896 14.033 11.259 1.00 0.00 C ATOM 1119 NZ LYS A 436 4.023 14.279 12.202 1.00 0.00 N ATOM 0 H LYS A 436 -0.359 9.444 10.332 1.00 0.00 H new ATOM 0 HA LYS A 436 0.224 11.822 9.265 1.00 0.00 H new ATOM 0 HB2 LYS A 436 1.732 9.632 10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 436 2.717 10.522 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 436 1.101 12.169 11.217 1.00 0.00 H new ATOM 0 HG3 LYS A 436 2.402 11.235 11.928 1.00 0.00 H new ATOM 0 HD2 LYS A 436 4.067 12.336 10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 436 2.926 12.881 9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 436 2.840 14.850 10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 436 1.956 14.028 11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 3.877 15.187 12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 4.062 13.513 12.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 4.918 14.309 11.673 1.00 0.00 H new ATOM 1133 N MET A 437 1.279 9.483 7.173 1.00 0.00 N ATOM 1134 CA MET A 437 1.626 9.258 5.781 1.00 0.00 C ATOM 1135 C MET A 437 0.438 9.628 4.905 1.00 0.00 C ATOM 1136 O MET A 437 0.590 10.310 3.899 1.00 0.00 O ATOM 1137 CB MET A 437 2.027 7.805 5.546 1.00 0.00 C ATOM 1138 CG MET A 437 0.916 6.804 5.805 1.00 0.00 C ATOM 1139 SD MET A 437 1.399 5.116 5.389 1.00 0.00 S ATOM 1140 CE MET A 437 2.846 4.906 6.424 1.00 0.00 C ATOM 0 H MET A 437 1.286 8.646 7.756 1.00 0.00 H new ATOM 0 HA MET A 437 2.480 9.884 5.523 1.00 0.00 H new ATOM 0 HB2 MET A 437 2.367 7.695 4.516 1.00 0.00 H new ATOM 0 HB3 MET A 437 2.874 7.565 6.188 1.00 0.00 H new ATOM 0 HG2 MET A 437 0.629 6.848 6.856 1.00 0.00 H new ATOM 0 HG3 MET A 437 0.038 7.082 5.222 1.00 0.00 H new ATOM 0 HE1 MET A 437 2.768 3.967 6.972 1.00 0.00 H new ATOM 0 HE2 MET A 437 3.740 4.890 5.801 1.00 0.00 H new ATOM 0 HE3 MET A 437 2.911 5.734 7.130 1.00 0.00 H new ATOM 1150 N LEU A 438 -0.746 9.192 5.318 1.00 0.00 N ATOM 1151 CA LEU A 438 -1.970 9.504 4.588 1.00 0.00 C ATOM 1152 C LEU A 438 -2.038 11.008 4.357 1.00 0.00 C ATOM 1153 O LEU A 438 -1.983 11.491 3.227 1.00 0.00 O ATOM 1154 CB LEU A 438 -3.178 9.072 5.416 1.00 0.00 C ATOM 1155 CG LEU A 438 -3.927 7.849 4.909 1.00 0.00 C ATOM 1156 CD1 LEU A 438 -2.955 6.747 4.524 1.00 0.00 C ATOM 1157 CD2 LEU A 438 -4.895 7.362 5.973 1.00 0.00 C ATOM 0 H LEU A 438 -0.885 8.622 6.153 1.00 0.00 H new ATOM 0 HA LEU A 438 -1.973 8.978 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.844 8.873 6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -3.877 9.907 5.467 1.00 0.00 H new ATOM 0 HG LEU A 438 -4.492 8.125 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -3.511 5.881 4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.292 7.105 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -2.364 6.462 5.395 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -5.429 6.486 5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -4.342 7.098 6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -5.609 8.152 6.204 1.00 0.00 H new ATOM 1169 N ASP A 439 -2.145 11.728 5.462 1.00 0.00 N ATOM 1170 CA ASP A 439 -2.213 13.184 5.458 1.00 0.00 C ATOM 1171 C ASP A 439 -0.979 13.776 4.797 1.00 0.00 C ATOM 1172 O ASP A 439 -0.980 14.924 4.371 1.00 0.00 O ATOM 1173 CB ASP A 439 -2.329 13.696 6.895 1.00 0.00 C ATOM 1174 CG ASP A 439 -3.441 14.714 7.059 1.00 0.00 C ATOM 1175 OD1 ASP A 439 -4.485 14.568 6.387 1.00 0.00 O ATOM 1176 OD2 ASP A 439 -3.269 15.658 7.857 1.00 0.00 O ATOM 0 H ASP A 439 -2.188 11.317 6.395 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.090 13.492 4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.509 12.855 7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.382 14.145 7.195 1.00 0.00 H new ATOM 1181 N PHE A 440 0.069 12.972 4.695 1.00 0.00 N ATOM 1182 CA PHE A 440 1.298 13.418 4.064 1.00 0.00 C ATOM 1183 C PHE A 440 1.148 13.342 2.549 1.00 0.00 C ATOM 1184 O PHE A 440 1.349 14.331 1.845 1.00 0.00 O ATOM 1185 CB PHE A 440 2.489 12.581 4.532 1.00 0.00 C ATOM 1186 CG PHE A 440 3.812 13.104 4.046 1.00 0.00 C ATOM 1187 CD1 PHE A 440 4.152 13.023 2.705 1.00 0.00 C ATOM 1188 CD2 PHE A 440 4.717 13.676 4.929 1.00 0.00 C ATOM 1189 CE1 PHE A 440 5.366 13.501 2.253 1.00 0.00 C ATOM 1190 CE2 PHE A 440 5.933 14.157 4.482 1.00 0.00 C ATOM 1191 CZ PHE A 440 6.258 14.069 3.143 1.00 0.00 C ATOM 0 H PHE A 440 0.092 12.012 5.040 1.00 0.00 H new ATOM 0 HA PHE A 440 1.488 14.452 4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 440 2.497 12.550 5.622 1.00 0.00 H new ATOM 0 HB3 PHE A 440 2.362 11.556 4.185 1.00 0.00 H new ATOM 0 HD1 PHE A 440 3.459 12.581 2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 440 4.468 13.746 5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 440 5.618 13.431 1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 440 6.628 14.601 5.179 1.00 0.00 H new ATOM 0 HZ PHE A 440 7.208 14.444 2.791 1.00 0.00 H new ATOM 1201 N TYR A 441 0.770 12.165 2.057 1.00 0.00 N ATOM 1202 CA TYR A 441 0.565 11.967 0.637 1.00 0.00 C ATOM 1203 C TYR A 441 -0.521 12.900 0.142 1.00 0.00 C ATOM 1204 O TYR A 441 -0.337 13.621 -0.836 1.00 0.00 O ATOM 1205 CB TYR A 441 0.182 10.520 0.345 1.00 0.00 C ATOM 1206 CG TYR A 441 1.364 9.585 0.340 1.00 0.00 C ATOM 1207 CD1 TYR A 441 2.487 9.856 -0.432 1.00 0.00 C ATOM 1208 CD2 TYR A 441 1.354 8.432 1.105 1.00 0.00 C ATOM 1209 CE1 TYR A 441 3.570 9.000 -0.439 1.00 0.00 C ATOM 1210 CE2 TYR A 441 2.434 7.570 1.106 1.00 0.00 C ATOM 1211 CZ TYR A 441 3.540 7.859 0.333 1.00 0.00 C ATOM 1212 OH TYR A 441 4.616 7.004 0.329 1.00 0.00 O ATOM 0 H TYR A 441 0.601 11.336 2.627 1.00 0.00 H new ATOM 0 HA TYR A 441 1.497 12.188 0.116 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -0.537 10.183 1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -0.317 10.471 -0.623 1.00 0.00 H new ATOM 0 HD1 TYR A 441 2.513 10.751 -1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 441 0.489 8.202 1.710 1.00 0.00 H new ATOM 0 HE1 TYR A 441 4.435 9.223 -1.046 1.00 0.00 H new ATOM 0 HE2 TYR A 441 2.413 6.674 1.709 1.00 0.00 H new ATOM 0 HH TYR A 441 5.036 7.003 1.214 1.00 0.00 H new ATOM 1222 N ALA A 442 -1.651 12.903 0.837 1.00 0.00 N ATOM 1223 CA ALA A 442 -2.741 13.781 0.462 1.00 0.00 C ATOM 1224 C ALA A 442 -2.216 15.206 0.435 1.00 0.00 C ATOM 1225 O ALA A 442 -2.167 15.847 -0.615 1.00 0.00 O ATOM 1226 CB ALA A 442 -3.904 13.661 1.434 1.00 0.00 C ATOM 0 H ALA A 442 -1.832 12.315 1.651 1.00 0.00 H new ATOM 0 HA ALA A 442 -3.113 13.498 -0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 442 -4.706 14.332 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 442 -4.271 12.635 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 442 -3.570 13.931 2.436 1.00 0.00 H new ATOM 1232 N LYS A 443 -1.815 15.689 1.607 1.00 0.00 N ATOM 1233 CA LYS A 443 -1.283 17.034 1.728 1.00 0.00 C ATOM 1234 C LYS A 443 -0.338 17.292 0.575 1.00 0.00 C ATOM 1235 O LYS A 443 -0.230 18.411 0.084 1.00 0.00 O ATOM 1236 CB LYS A 443 -0.529 17.191 3.043 1.00 0.00 C ATOM 1237 CG LYS A 443 -1.423 17.398 4.247 1.00 0.00 C ATOM 1238 CD LYS A 443 -1.728 18.871 4.467 1.00 0.00 C ATOM 1239 CE LYS A 443 -2.168 19.553 3.182 1.00 0.00 C ATOM 1240 NZ LYS A 443 -2.291 21.028 3.350 1.00 0.00 N ATOM 0 H LYS A 443 -1.850 15.167 2.483 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.106 17.748 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 443 0.083 16.304 3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 443 0.152 18.038 2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -2.354 16.849 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -0.941 16.989 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -2.511 18.972 5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -0.843 19.371 4.859 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -1.449 19.336 2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -3.126 19.143 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -2.593 21.456 2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -2.995 21.236 4.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -1.371 21.423 3.630 1.00 0.00 H new ATOM 1254 N GLN A 444 0.316 16.229 0.130 1.00 0.00 N ATOM 1255 CA GLN A 444 1.225 16.320 -1.000 1.00 0.00 C ATOM 1256 C GLN A 444 0.420 16.644 -2.250 1.00 0.00 C ATOM 1257 O GLN A 444 0.678 17.626 -2.942 1.00 0.00 O ATOM 1258 CB GLN A 444 1.982 15.008 -1.201 1.00 0.00 C ATOM 1259 CG GLN A 444 3.288 15.182 -1.956 1.00 0.00 C ATOM 1260 CD GLN A 444 4.127 13.922 -1.968 1.00 0.00 C ATOM 1261 OE1 GLN A 444 3.598 12.810 -1.974 1.00 0.00 O ATOM 1262 NE2 GLN A 444 5.443 14.090 -1.970 1.00 0.00 N ATOM 0 H GLN A 444 0.234 15.296 0.534 1.00 0.00 H new ATOM 0 HA GLN A 444 1.956 17.105 -0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 444 2.189 14.562 -0.228 1.00 0.00 H new ATOM 0 HB3 GLN A 444 1.346 14.308 -1.744 1.00 0.00 H new ATOM 0 HG2 GLN A 444 3.073 15.480 -2.982 1.00 0.00 H new ATOM 0 HG3 GLN A 444 3.861 15.991 -1.502 1.00 0.00 H new ATOM 0 HE21 GLN A 444 5.837 15.031 -1.965 1.00 0.00 H new ATOM 0 HE22 GLN A 444 6.061 13.278 -1.977 1.00 0.00 H new