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 369 ASN : amide:sc= -0.865 K(o=-0.86,f=-3.3!) USER MOD Set 1.2: A 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 368 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 373 GLN : amide:sc= -0.32 K(o=-0.32,f=-3!) 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 180:sc= 0 USER MOD Single : A 382 SER OG : rot 180:sc= 0.0438 USER MOD Single : A 386 HIS :FLIP no HE2:sc= -2.47 F(o=-3.1!,f=-2.5) USER MOD Single : A 387 TYR OH : rot 154:sc= -4.66! USER MOD Single : A 389 THR OG1 : rot 149:sc= -2.71! USER MOD Single : A 391 LYS NZ :NH3+ -168:sc= -0.42 (180deg=-0.645) USER MOD Single : A 392 LYS NZ :NH3+ -161:sc= -0.0192 (180deg=-0.204) USER MOD Single : A 394 THR OG1 : rot -45:sc= 0.327 USER MOD Single : A 399 ASN : amide:sc= 0.00965 X(o=0.0096,f=0) USER MOD Single : A 400 SER OG : rot 3:sc= -0.812 USER MOD Single : A 404 CYS SG : rot -79:sc= -5.44! USER MOD Single : A 410 THR OG1 : rot 180:sc= 0 USER MOD Single : A 414 THR OG1 : rot -11:sc= 0.98 USER MOD Single : A 419 ASN : amide:sc=-0.00789 X(o=-0.0079,f=0) USER MOD Single : A 421 LYS NZ :NH3+ -133:sc= -0.399 (180deg=-3.45!) USER MOD Single : A 430 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.034) 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 -160:sc= -0.052 (180deg=-0.406) USER MOD Single : A 441 TYR OH : rot 110:sc= -2.05! USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 40 N ASP A 367 -7.890 -6.977 7.458 1.00 0.00 N ATOM 41 CA ASP A 367 -9.031 -6.143 7.109 1.00 0.00 C ATOM 42 C ASP A 367 -9.745 -6.687 5.880 1.00 0.00 C ATOM 43 O ASP A 367 -9.402 -7.754 5.371 1.00 0.00 O ATOM 44 CB ASP A 367 -8.587 -4.702 6.865 1.00 0.00 C ATOM 45 CG ASP A 367 -7.909 -4.105 8.081 1.00 0.00 C ATOM 46 OD1 ASP A 367 -6.807 -4.576 8.435 1.00 0.00 O ATOM 47 OD2 ASP A 367 -8.481 -3.172 8.682 1.00 0.00 O ATOM 0 HA ASP A 367 -9.728 -6.158 7.947 1.00 0.00 H new ATOM 0 HB2 ASP A 367 -7.903 -4.672 6.017 1.00 0.00 H new ATOM 0 HB3 ASP A 367 -9.453 -4.096 6.598 1.00 0.00 H new ATOM 52 N MET A 368 -10.745 -5.952 5.408 1.00 0.00 N ATOM 53 CA MET A 368 -11.507 -6.375 4.241 1.00 0.00 C ATOM 54 C MET A 368 -11.101 -5.595 2.995 1.00 0.00 C ATOM 55 O MET A 368 -10.875 -6.181 1.937 1.00 0.00 O ATOM 56 CB MET A 368 -13.004 -6.204 4.498 1.00 0.00 C ATOM 57 CG MET A 368 -13.603 -7.309 5.353 1.00 0.00 C ATOM 58 SD MET A 368 -13.430 -6.993 7.120 1.00 0.00 S ATOM 59 CE MET A 368 -15.110 -7.260 7.681 1.00 0.00 C ATOM 0 H MET A 368 -11.045 -5.065 5.813 1.00 0.00 H new ATOM 0 HA MET A 368 -11.288 -7.428 4.065 1.00 0.00 H new ATOM 0 HB2 MET A 368 -13.173 -5.245 4.987 1.00 0.00 H new ATOM 0 HB3 MET A 368 -13.527 -6.171 3.542 1.00 0.00 H new ATOM 0 HG2 MET A 368 -14.660 -7.419 5.109 1.00 0.00 H new ATOM 0 HG3 MET A 368 -13.120 -8.255 5.108 1.00 0.00 H new ATOM 0 HE1 MET A 368 -15.164 -7.101 8.758 1.00 0.00 H new ATOM 0 HE2 MET A 368 -15.777 -6.561 7.177 1.00 0.00 H new ATOM 0 HE3 MET A 368 -15.413 -8.281 7.449 1.00 0.00 H new ATOM 69 N ASN A 369 -11.013 -4.276 3.118 1.00 0.00 N ATOM 70 CA ASN A 369 -10.638 -3.438 1.983 1.00 0.00 C ATOM 71 C ASN A 369 -9.462 -2.524 2.305 1.00 0.00 C ATOM 72 O ASN A 369 -9.637 -1.332 2.553 1.00 0.00 O ATOM 73 CB ASN A 369 -11.830 -2.600 1.545 1.00 0.00 C ATOM 74 CG ASN A 369 -12.459 -3.117 0.265 1.00 0.00 C ATOM 75 OD1 ASN A 369 -11.847 -3.890 -0.472 1.00 0.00 O ATOM 76 ND2 ASN A 369 -13.686 -2.691 -0.008 1.00 0.00 N ATOM 0 H ASN A 369 -11.194 -3.766 3.983 1.00 0.00 H new ATOM 0 HA ASN A 369 -10.329 -4.102 1.176 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -12.578 -2.594 2.338 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -11.512 -1.568 1.399 1.00 0.00 H new ATOM 0 HD21 ASN A 369 -14.158 -3.004 -0.856 1.00 0.00 H new ATOM 0 HD22 ASN A 369 -14.157 -2.050 0.631 1.00 0.00 H new ATOM 83 N ALA A 370 -8.267 -3.086 2.264 1.00 0.00 N ATOM 84 CA ALA A 370 -7.053 -2.320 2.515 1.00 0.00 C ATOM 85 C ALA A 370 -6.622 -1.585 1.256 1.00 0.00 C ATOM 86 O ALA A 370 -6.506 -0.363 1.246 1.00 0.00 O ATOM 87 CB ALA A 370 -5.933 -3.216 3.015 1.00 0.00 C ATOM 0 H ALA A 370 -8.108 -4.072 2.059 1.00 0.00 H new ATOM 0 HA ALA A 370 -7.271 -1.588 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -5.040 -2.617 3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.239 -3.697 3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -5.715 -3.978 2.267 1.00 0.00 H new ATOM 93 N LYS A 371 -6.403 -2.343 0.189 1.00 0.00 N ATOM 94 CA LYS A 371 -6.005 -1.760 -1.087 1.00 0.00 C ATOM 95 C LYS A 371 -7.047 -0.738 -1.530 1.00 0.00 C ATOM 96 O LYS A 371 -6.755 0.183 -2.285 1.00 0.00 O ATOM 97 CB LYS A 371 -5.857 -2.850 -2.152 1.00 0.00 C ATOM 98 CG LYS A 371 -7.133 -3.640 -2.394 1.00 0.00 C ATOM 99 CD LYS A 371 -7.241 -4.826 -1.446 1.00 0.00 C ATOM 100 CE LYS A 371 -8.048 -5.962 -2.057 1.00 0.00 C ATOM 101 NZ LYS A 371 -9.376 -6.117 -1.402 1.00 0.00 N ATOM 0 H LYS A 371 -6.494 -3.359 0.181 1.00 0.00 H new ATOM 0 HA LYS A 371 -5.042 -1.265 -0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -5.540 -2.391 -3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -5.066 -3.537 -1.850 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -7.997 -2.988 -2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -7.154 -3.993 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -6.242 -5.183 -1.194 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -7.709 -4.506 -0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -8.188 -5.775 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -7.489 -6.893 -1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -9.894 -6.901 -1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -9.243 -6.321 -0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -9.921 -5.238 -1.509 1.00 0.00 H new ATOM 115 N ARG A 372 -8.256 -0.909 -1.019 1.00 0.00 N ATOM 116 CA ARG A 372 -9.351 -0.001 -1.328 1.00 0.00 C ATOM 117 C ARG A 372 -9.296 1.211 -0.415 1.00 0.00 C ATOM 118 O ARG A 372 -9.231 2.348 -0.881 1.00 0.00 O ATOM 119 CB ARG A 372 -10.703 -0.703 -1.197 1.00 0.00 C ATOM 120 CG ARG A 372 -11.890 0.252 -1.152 1.00 0.00 C ATOM 121 CD ARG A 372 -12.646 0.262 -2.472 1.00 0.00 C ATOM 122 NE ARG A 372 -13.883 1.037 -2.400 1.00 0.00 N ATOM 123 CZ ARG A 372 -13.933 2.364 -2.503 1.00 0.00 C ATOM 124 NH1 ARG A 372 -12.817 3.066 -2.638 1.00 0.00 N ATOM 125 NH2 ARG A 372 -15.103 2.989 -2.467 1.00 0.00 N ATOM 0 H ARG A 372 -8.505 -1.670 -0.387 1.00 0.00 H new ATOM 0 HA ARG A 372 -9.241 0.326 -2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -10.830 -1.386 -2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -10.701 -1.309 -0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -12.564 -0.041 -0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -11.540 1.259 -0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -12.006 0.676 -3.251 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -12.879 -0.763 -2.762 1.00 0.00 H new ATOM 0 HE ARG A 372 -14.759 0.532 -2.263 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -11.915 2.590 -2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -12.860 4.082 -2.717 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -15.964 2.453 -2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -15.141 4.005 -2.546 1.00 0.00 H new ATOM 139 N GLN A 373 -9.322 0.965 0.887 1.00 0.00 N ATOM 140 CA GLN A 373 -9.276 2.049 1.853 1.00 0.00 C ATOM 141 C GLN A 373 -8.024 2.896 1.654 1.00 0.00 C ATOM 142 O GLN A 373 -8.071 4.121 1.756 1.00 0.00 O ATOM 143 CB GLN A 373 -9.344 1.498 3.273 1.00 0.00 C ATOM 144 CG GLN A 373 -9.370 2.579 4.334 1.00 0.00 C ATOM 145 CD GLN A 373 -10.585 2.488 5.238 1.00 0.00 C ATOM 146 OE1 GLN A 373 -11.381 1.553 5.138 1.00 0.00 O ATOM 147 NE2 GLN A 373 -10.734 3.461 6.130 1.00 0.00 N ATOM 0 H GLN A 373 -9.374 0.032 1.295 1.00 0.00 H new ATOM 0 HA GLN A 373 -10.142 2.691 1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 373 -10.236 0.879 3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -8.485 0.850 3.445 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -8.466 2.509 4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -9.355 3.556 3.851 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -10.051 4.217 6.179 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -11.531 3.452 6.766 1.00 0.00 H new ATOM 156 N LEU A 374 -6.910 2.239 1.355 1.00 0.00 N ATOM 157 CA LEU A 374 -5.648 2.925 1.119 1.00 0.00 C ATOM 158 C LEU A 374 -5.716 3.717 -0.180 1.00 0.00 C ATOM 159 O LEU A 374 -5.579 4.941 -0.187 1.00 0.00 O ATOM 160 CB LEU A 374 -4.508 1.909 1.040 1.00 0.00 C ATOM 161 CG LEU A 374 -3.117 2.515 0.895 1.00 0.00 C ATOM 162 CD1 LEU A 374 -2.811 2.818 -0.562 1.00 0.00 C ATOM 163 CD2 LEU A 374 -3.002 3.765 1.747 1.00 0.00 C ATOM 0 H LEU A 374 -6.857 1.224 1.270 1.00 0.00 H new ATOM 0 HA LEU A 374 -5.463 3.611 1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 374 -4.528 1.292 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -4.690 1.246 0.194 1.00 0.00 H new ATOM 0 HG LEU A 374 -2.381 1.791 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 374 -1.813 3.250 -0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 374 -2.855 1.896 -1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 374 -3.545 3.526 -0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 374 -2.004 4.190 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 374 -3.745 4.494 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 374 -3.174 3.510 2.793 1.00 0.00 H new ATOM 175 N TYR A 375 -5.923 3.006 -1.286 1.00 0.00 N ATOM 176 CA TYR A 375 -6.007 3.650 -2.595 1.00 0.00 C ATOM 177 C TYR A 375 -6.882 4.882 -2.506 1.00 0.00 C ATOM 178 O TYR A 375 -6.630 5.906 -3.138 1.00 0.00 O ATOM 179 CB TYR A 375 -6.578 2.693 -3.632 1.00 0.00 C ATOM 180 CG TYR A 375 -6.277 3.092 -5.059 1.00 0.00 C ATOM 181 CD1 TYR A 375 -5.070 3.698 -5.398 1.00 0.00 C ATOM 182 CD2 TYR A 375 -7.201 2.861 -6.073 1.00 0.00 C ATOM 183 CE1 TYR A 375 -4.799 4.065 -6.703 1.00 0.00 C ATOM 184 CE2 TYR A 375 -6.933 3.226 -7.379 1.00 0.00 C ATOM 185 CZ TYR A 375 -5.731 3.825 -7.687 1.00 0.00 C ATOM 186 OH TYR A 375 -5.461 4.193 -8.984 1.00 0.00 O ATOM 0 H TYR A 375 -6.035 1.992 -1.303 1.00 0.00 H new ATOM 0 HA TYR A 375 -5.001 3.937 -2.902 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -6.179 1.695 -3.451 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -7.658 2.632 -3.501 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.334 3.884 -4.630 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -8.143 2.389 -5.836 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -3.860 4.538 -6.949 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -7.662 3.043 -8.154 1.00 0.00 H new ATOM 0 HH TYR A 375 -6.219 3.953 -9.557 1.00 0.00 H new ATOM 196 N SER A 376 -7.905 4.770 -1.683 1.00 0.00 N ATOM 197 CA SER A 376 -8.824 5.872 -1.459 1.00 0.00 C ATOM 198 C SER A 376 -8.147 6.914 -0.574 1.00 0.00 C ATOM 199 O SER A 376 -8.161 8.111 -0.861 1.00 0.00 O ATOM 200 CB SER A 376 -10.111 5.366 -0.799 1.00 0.00 C ATOM 201 OG SER A 376 -10.914 6.442 -0.347 1.00 0.00 O ATOM 0 H SER A 376 -8.123 3.925 -1.156 1.00 0.00 H new ATOM 0 HA SER A 376 -9.088 6.325 -2.415 1.00 0.00 H new ATOM 0 HB2 SER A 376 -10.674 4.763 -1.511 1.00 0.00 H new ATOM 0 HB3 SER A 376 -9.861 4.718 0.041 1.00 0.00 H new ATOM 0 HG SER A 376 -11.729 6.090 0.068 1.00 0.00 H new ATOM 207 N LEU A 377 -7.565 6.428 0.513 1.00 0.00 N ATOM 208 CA LEU A 377 -6.874 7.263 1.480 1.00 0.00 C ATOM 209 C LEU A 377 -5.683 7.984 0.850 1.00 0.00 C ATOM 210 O LEU A 377 -5.650 9.212 0.789 1.00 0.00 O ATOM 211 CB LEU A 377 -6.408 6.394 2.649 1.00 0.00 C ATOM 212 CG LEU A 377 -7.499 6.026 3.654 1.00 0.00 C ATOM 213 CD1 LEU A 377 -7.148 4.730 4.363 1.00 0.00 C ATOM 214 CD2 LEU A 377 -7.703 7.147 4.663 1.00 0.00 C ATOM 0 H LEU A 377 -7.560 5.436 0.749 1.00 0.00 H new ATOM 0 HA LEU A 377 -7.566 8.026 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -5.977 5.476 2.250 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.611 6.918 3.176 1.00 0.00 H new ATOM 0 HG LEU A 377 -8.433 5.883 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -7.934 4.481 5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -7.055 3.928 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -6.203 4.849 4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -8.484 6.864 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.773 7.324 5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -7.998 8.057 4.141 1.00 0.00 H new ATOM 226 N ILE A 378 -4.700 7.212 0.396 1.00 0.00 N ATOM 227 CA ILE A 378 -3.502 7.781 -0.214 1.00 0.00 C ATOM 228 C ILE A 378 -3.520 7.628 -1.732 1.00 0.00 C ATOM 229 O ILE A 378 -3.191 8.565 -2.459 1.00 0.00 O ATOM 230 CB ILE A 378 -2.260 7.083 0.364 1.00 0.00 C ATOM 231 CG1 ILE A 378 -2.137 7.410 1.849 1.00 0.00 C ATOM 232 CG2 ILE A 378 -1.005 7.466 -0.393 1.00 0.00 C ATOM 233 CD1 ILE A 378 -1.114 6.568 2.580 1.00 0.00 C ATOM 0 H ILE A 378 -4.709 6.193 0.439 1.00 0.00 H new ATOM 0 HA ILE A 378 -3.474 8.847 0.013 1.00 0.00 H new ATOM 0 HB ILE A 378 -2.378 6.006 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 378 -1.873 8.462 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 378 -3.109 7.275 2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 378 -0.147 6.954 0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 378 -1.108 7.176 -1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 378 -0.856 8.544 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 378 -1.085 6.860 3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 378 -1.387 5.516 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 378 -0.131 6.721 2.134 1.00 0.00 H new ATOM 245 N GLY A 379 -3.895 6.440 -2.199 1.00 0.00 N ATOM 246 CA GLY A 379 -3.946 6.173 -3.627 1.00 0.00 C ATOM 247 C GLY A 379 -4.216 7.410 -4.462 1.00 0.00 C ATOM 248 O GLY A 379 -5.208 8.109 -4.249 1.00 0.00 O ATOM 0 H GLY A 379 -4.166 5.653 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -3.000 5.731 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -4.723 5.434 -3.823 1.00 0.00 H new ATOM 252 N TYR A 380 -3.335 7.670 -5.419 1.00 0.00 N ATOM 253 CA TYR A 380 -3.474 8.820 -6.306 1.00 0.00 C ATOM 254 C TYR A 380 -2.809 8.536 -7.647 1.00 0.00 C ATOM 255 O TYR A 380 -2.016 7.603 -7.772 1.00 0.00 O ATOM 256 CB TYR A 380 -2.843 10.065 -5.682 1.00 0.00 C ATOM 257 CG TYR A 380 -3.748 10.802 -4.721 1.00 0.00 C ATOM 258 CD1 TYR A 380 -4.950 11.353 -5.146 1.00 0.00 C ATOM 259 CD2 TYR A 380 -3.390 10.952 -3.388 1.00 0.00 C ATOM 260 CE1 TYR A 380 -5.772 12.032 -4.266 1.00 0.00 C ATOM 261 CE2 TYR A 380 -4.205 11.630 -2.502 1.00 0.00 C ATOM 262 CZ TYR A 380 -5.395 12.168 -2.945 1.00 0.00 C ATOM 263 OH TYR A 380 -6.207 12.847 -2.065 1.00 0.00 O ATOM 0 H TYR A 380 -2.511 7.097 -5.602 1.00 0.00 H new ATOM 0 HA TYR A 380 -4.538 9.001 -6.459 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -1.934 9.773 -5.156 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.546 10.747 -6.479 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -5.247 11.249 -6.179 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -2.459 10.532 -3.038 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -6.705 12.454 -4.610 1.00 0.00 H new ATOM 0 HE2 TYR A 380 -3.912 11.738 -1.468 1.00 0.00 H new ATOM 0 HH TYR A 380 -5.795 12.850 -1.176 1.00 0.00 H new ATOM 273 N ALA A 381 -3.129 9.349 -8.646 1.00 0.00 N ATOM 274 CA ALA A 381 -2.553 9.182 -9.972 1.00 0.00 C ATOM 275 C ALA A 381 -1.097 9.643 -9.998 1.00 0.00 C ATOM 276 O ALA A 381 -0.304 9.179 -10.817 1.00 0.00 O ATOM 277 CB ALA A 381 -3.367 9.932 -11.016 1.00 0.00 C ATOM 0 H ALA A 381 -3.782 10.128 -8.563 1.00 0.00 H new ATOM 0 HA ALA A 381 -2.579 8.120 -10.215 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -2.916 9.792 -11.998 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -4.387 9.548 -11.027 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -3.381 10.994 -10.772 1.00 0.00 H new ATOM 283 N SER A 382 -0.755 10.566 -9.101 1.00 0.00 N ATOM 284 CA SER A 382 0.604 11.096 -9.027 1.00 0.00 C ATOM 285 C SER A 382 1.475 10.298 -8.059 1.00 0.00 C ATOM 286 O SER A 382 2.700 10.305 -8.169 1.00 0.00 O ATOM 287 CB SER A 382 0.580 12.566 -8.601 1.00 0.00 C ATOM 288 OG SER A 382 -0.665 12.915 -8.024 1.00 0.00 O ATOM 0 H SER A 382 -1.400 10.961 -8.417 1.00 0.00 H new ATOM 0 HA SER A 382 1.038 11.009 -10.023 1.00 0.00 H new ATOM 0 HB2 SER A 382 1.380 12.752 -7.884 1.00 0.00 H new ATOM 0 HB3 SER A 382 0.773 13.201 -9.466 1.00 0.00 H new ATOM 0 HG SER A 382 -0.650 13.859 -7.760 1.00 0.00 H new ATOM 294 N LEU A 383 0.842 9.630 -7.098 1.00 0.00 N ATOM 295 CA LEU A 383 1.572 8.854 -6.100 1.00 0.00 C ATOM 296 C LEU A 383 1.977 7.479 -6.626 1.00 0.00 C ATOM 297 O LEU A 383 2.824 6.810 -6.041 1.00 0.00 O ATOM 298 CB LEU A 383 0.714 8.692 -4.849 1.00 0.00 C ATOM 299 CG LEU A 383 1.351 9.187 -3.556 1.00 0.00 C ATOM 300 CD1 LEU A 383 0.639 8.581 -2.358 1.00 0.00 C ATOM 301 CD2 LEU A 383 2.838 8.851 -3.529 1.00 0.00 C ATOM 0 H LEU A 383 -0.172 9.610 -6.989 1.00 0.00 H new ATOM 0 HA LEU A 383 2.486 9.399 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -0.225 9.225 -5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 383 0.466 7.637 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 383 1.249 10.271 -3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 383 1.102 8.941 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -0.411 8.872 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 383 0.715 7.494 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 383 3.276 9.212 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 383 2.968 7.771 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 383 3.335 9.329 -4.373 1.00 0.00 H new ATOM 313 N ARG A 384 1.386 7.074 -7.741 1.00 0.00 N ATOM 314 CA ARG A 384 1.700 5.788 -8.357 1.00 0.00 C ATOM 315 C ARG A 384 1.927 4.674 -7.325 1.00 0.00 C ATOM 316 O ARG A 384 2.817 3.841 -7.504 1.00 0.00 O ATOM 317 CB ARG A 384 2.944 5.924 -9.235 1.00 0.00 C ATOM 318 CG ARG A 384 2.799 5.286 -10.607 1.00 0.00 C ATOM 319 CD ARG A 384 2.441 3.813 -10.500 1.00 0.00 C ATOM 320 NE ARG A 384 1.922 3.281 -11.759 1.00 0.00 N ATOM 321 CZ ARG A 384 1.837 1.983 -12.029 1.00 0.00 C ATOM 322 NH1 ARG A 384 2.245 1.092 -11.137 1.00 0.00 N ATOM 323 NH2 ARG A 384 1.353 1.574 -13.194 1.00 0.00 N ATOM 0 H ARG A 384 0.683 7.618 -8.241 1.00 0.00 H new ATOM 0 HA ARG A 384 0.836 5.505 -8.958 1.00 0.00 H new ATOM 0 HB2 ARG A 384 3.176 6.982 -9.359 1.00 0.00 H new ATOM 0 HB3 ARG A 384 3.791 5.470 -8.721 1.00 0.00 H new ATOM 0 HG2 ARG A 384 2.028 5.809 -11.173 1.00 0.00 H new ATOM 0 HG3 ARG A 384 3.731 5.396 -11.161 1.00 0.00 H new ATOM 0 HD2 ARG A 384 3.324 3.246 -10.204 1.00 0.00 H new ATOM 0 HD3 ARG A 384 1.697 3.677 -9.715 1.00 0.00 H new ATOM 0 HE ARG A 384 1.608 3.943 -12.469 1.00 0.00 H new ATOM 0 HH11 ARG A 384 2.624 1.403 -10.243 1.00 0.00 H new ATOM 0 HH12 ARG A 384 2.180 0.096 -11.345 1.00 0.00 H new ATOM 0 HH21 ARG A 384 1.045 2.257 -13.886 1.00 0.00 H new ATOM 0 HH22 ARG A 384 1.289 0.577 -13.398 1.00 0.00 H new ATOM 337 N LEU A 385 1.122 4.634 -6.261 1.00 0.00 N ATOM 338 CA LEU A 385 1.267 3.586 -5.251 1.00 0.00 C ATOM 339 C LEU A 385 0.978 2.220 -5.864 1.00 0.00 C ATOM 340 O LEU A 385 0.097 2.084 -6.712 1.00 0.00 O ATOM 341 CB LEU A 385 0.345 3.850 -4.050 1.00 0.00 C ATOM 342 CG LEU A 385 -1.144 3.621 -4.288 1.00 0.00 C ATOM 343 CD1 LEU A 385 -1.619 4.386 -5.502 1.00 0.00 C ATOM 344 CD2 LEU A 385 -1.443 2.140 -4.436 1.00 0.00 C ATOM 0 H LEU A 385 0.375 5.304 -6.079 1.00 0.00 H new ATOM 0 HA LEU A 385 2.296 3.595 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 385 0.663 3.212 -3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 385 0.487 4.882 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 385 -1.687 3.994 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -2.684 4.207 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.448 5.452 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.068 4.052 -6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -2.511 1.999 -4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -0.886 1.739 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -1.148 1.617 -3.527 1.00 0.00 H new ATOM 356 N HIS A 386 1.724 1.205 -5.431 1.00 0.00 N ATOM 357 CA HIS A 386 1.540 -0.147 -5.942 1.00 0.00 C ATOM 358 C HIS A 386 1.949 -1.182 -4.907 1.00 0.00 C ATOM 359 O HIS A 386 2.547 -0.856 -3.882 1.00 0.00 O ATOM 360 CB HIS A 386 2.349 -0.361 -7.224 1.00 0.00 C ATOM 361 CG HIS A 386 3.818 -0.085 -7.078 1.00 0.00 C ATOM 362 ND1 HIS A 386 4.533 1.033 -7.345 1.00 0.00 N flip ATOM 363 CD2 HIS A 386 4.735 -1.028 -6.642 1.00 0.00 C flip ATOM 364 CE1 HIS A 386 5.850 0.752 -7.077 1.00 0.00 C flip ATOM 365 NE2 HIS A 386 5.946 -0.496 -6.655 1.00 0.00 N flip ATOM 0 H HIS A 386 2.459 1.295 -4.729 1.00 0.00 H new ATOM 0 HA HIS A 386 0.480 -0.270 -6.165 1.00 0.00 H new ATOM 0 HB2 HIS A 386 2.215 -1.390 -7.557 1.00 0.00 H new ATOM 0 HB3 HIS A 386 1.946 0.282 -8.006 1.00 0.00 H new ATOM 0 HD1 HIS A 386 4.162 1.921 -7.683 1.00 0.00 H new ATOM 0 HD2 HIS A 386 4.498 -2.037 -6.339 1.00 0.00 H new ATOM 0 HE1 HIS A 386 6.674 1.440 -7.193 1.00 0.00 H new ATOM 374 N TYR A 387 1.632 -2.434 -5.194 1.00 0.00 N ATOM 375 CA TYR A 387 1.974 -3.526 -4.303 1.00 0.00 C ATOM 376 C TYR A 387 3.068 -4.389 -4.921 1.00 0.00 C ATOM 377 O TYR A 387 2.917 -4.902 -6.029 1.00 0.00 O ATOM 378 CB TYR A 387 0.733 -4.365 -3.994 1.00 0.00 C ATOM 379 CG TYR A 387 -0.474 -3.528 -3.622 1.00 0.00 C ATOM 380 CD1 TYR A 387 -0.582 -2.948 -2.362 1.00 0.00 C ATOM 381 CD2 TYR A 387 -1.498 -3.308 -4.534 1.00 0.00 C ATOM 382 CE1 TYR A 387 -1.678 -2.175 -2.023 1.00 0.00 C ATOM 383 CE2 TYR A 387 -2.596 -2.538 -4.202 1.00 0.00 C ATOM 384 CZ TYR A 387 -2.681 -1.973 -2.945 1.00 0.00 C ATOM 385 OH TYR A 387 -3.774 -1.205 -2.612 1.00 0.00 O ATOM 0 H TYR A 387 1.137 -2.718 -6.040 1.00 0.00 H new ATOM 0 HA TYR A 387 2.351 -3.112 -3.368 1.00 0.00 H new ATOM 0 HB2 TYR A 387 0.490 -4.976 -4.863 1.00 0.00 H new ATOM 0 HB3 TYR A 387 0.959 -5.049 -3.176 1.00 0.00 H new ATOM 0 HD1 TYR A 387 0.203 -3.104 -1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -1.435 -3.746 -5.519 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -1.747 -1.732 -1.040 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -3.385 -2.379 -4.923 1.00 0.00 H new ATOM 0 HH TYR A 387 -4.161 -0.817 -3.425 1.00 0.00 H new ATOM 395 N VAL A 388 4.166 -4.539 -4.195 1.00 0.00 N ATOM 396 CA VAL A 388 5.288 -5.338 -4.667 1.00 0.00 C ATOM 397 C VAL A 388 5.349 -6.662 -3.926 1.00 0.00 C ATOM 398 O VAL A 388 5.169 -6.707 -2.714 1.00 0.00 O ATOM 399 CB VAL A 388 6.622 -4.598 -4.479 1.00 0.00 C ATOM 400 CG1 VAL A 388 6.680 -3.952 -3.106 1.00 0.00 C ATOM 401 CG2 VAL A 388 7.788 -5.547 -4.689 1.00 0.00 C ATOM 0 H VAL A 388 4.304 -4.118 -3.276 1.00 0.00 H new ATOM 0 HA VAL A 388 5.132 -5.518 -5.731 1.00 0.00 H new ATOM 0 HB VAL A 388 6.693 -3.807 -5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 388 7.631 -3.432 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 388 5.862 -3.239 -3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 388 6.589 -4.720 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 388 8.725 -5.008 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 388 7.729 -6.361 -3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 388 7.748 -5.955 -5.699 1.00 0.00 H new ATOM 411 N THR A 389 5.602 -7.739 -4.655 1.00 0.00 N ATOM 412 CA THR A 389 5.680 -9.055 -4.042 1.00 0.00 C ATOM 413 C THR A 389 7.121 -9.462 -3.779 1.00 0.00 C ATOM 414 O THR A 389 7.877 -9.756 -4.705 1.00 0.00 O ATOM 415 CB THR A 389 5.013 -10.134 -4.909 1.00 0.00 C ATOM 416 OG1 THR A 389 3.620 -9.856 -5.108 1.00 0.00 O ATOM 417 CG2 THR A 389 5.151 -11.504 -4.256 1.00 0.00 C ATOM 0 H THR A 389 5.756 -7.728 -5.663 1.00 0.00 H new ATOM 0 HA THR A 389 5.144 -8.980 -3.096 1.00 0.00 H new ATOM 0 HB THR A 389 5.518 -10.131 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 389 3.340 -10.199 -5.982 1.00 0.00 H new ATOM 0 HG21 THR A 389 4.673 -12.256 -4.884 1.00 0.00 H new ATOM 0 HG22 THR A 389 6.207 -11.747 -4.139 1.00 0.00 H new ATOM 0 HG23 THR A 389 4.672 -11.490 -3.277 1.00 0.00 H new ATOM 425 N VAL A 390 7.489 -9.496 -2.508 1.00 0.00 N ATOM 426 CA VAL A 390 8.835 -9.891 -2.117 1.00 0.00 C ATOM 427 C VAL A 390 8.934 -11.407 -2.063 1.00 0.00 C ATOM 428 O VAL A 390 9.924 -11.995 -2.501 1.00 0.00 O ATOM 429 CB VAL A 390 9.246 -9.313 -0.745 1.00 0.00 C ATOM 430 CG1 VAL A 390 10.535 -8.519 -0.874 1.00 0.00 C ATOM 431 CG2 VAL A 390 8.140 -8.448 -0.155 1.00 0.00 C ATOM 0 H VAL A 390 6.876 -9.255 -1.729 1.00 0.00 H new ATOM 0 HA VAL A 390 9.515 -9.488 -2.868 1.00 0.00 H new ATOM 0 HB VAL A 390 9.414 -10.147 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL A 390 10.814 -8.117 0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 390 11.329 -9.171 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.388 -7.699 -1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 390 8.460 -8.056 0.810 1.00 0.00 H new ATOM 0 HG22 VAL A 390 7.927 -7.619 -0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 390 7.240 -9.049 -0.022 1.00 0.00 H new ATOM 441 N LYS A 391 7.894 -12.033 -1.530 1.00 0.00 N ATOM 442 CA LYS A 391 7.850 -13.485 -1.422 1.00 0.00 C ATOM 443 C LYS A 391 6.453 -14.016 -1.745 1.00 0.00 C ATOM 444 O LYS A 391 5.466 -13.284 -1.676 1.00 0.00 O ATOM 445 CB LYS A 391 8.306 -13.940 -0.024 1.00 0.00 C ATOM 446 CG LYS A 391 7.185 -14.435 0.880 1.00 0.00 C ATOM 447 CD LYS A 391 7.732 -15.232 2.053 1.00 0.00 C ATOM 448 CE LYS A 391 8.027 -16.671 1.658 1.00 0.00 C ATOM 449 NZ LYS A 391 8.677 -17.429 2.763 1.00 0.00 N ATOM 0 H LYS A 391 7.068 -11.558 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 391 8.541 -13.901 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 391 9.041 -14.736 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 391 8.811 -13.108 0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 391 6.612 -13.585 1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 391 6.498 -15.056 0.305 1.00 0.00 H new ATOM 0 HD2 LYS A 391 8.643 -14.760 2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 391 7.012 -15.218 2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 391 7.099 -17.167 1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 391 8.674 -16.681 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 9.044 -18.331 2.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 9.462 -16.869 3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 7.980 -17.617 3.512 1.00 0.00 H new ATOM 463 N LYS A 392 6.390 -15.296 -2.096 1.00 0.00 N ATOM 464 CA LYS A 392 5.129 -15.954 -2.432 1.00 0.00 C ATOM 465 C LYS A 392 5.087 -17.348 -1.818 1.00 0.00 C ATOM 466 O LYS A 392 6.108 -17.859 -1.362 1.00 0.00 O ATOM 467 CB LYS A 392 4.970 -16.062 -3.950 1.00 0.00 C ATOM 468 CG LYS A 392 6.115 -15.440 -4.738 1.00 0.00 C ATOM 469 CD LYS A 392 7.384 -16.274 -4.634 1.00 0.00 C ATOM 470 CE LYS A 392 8.216 -16.189 -5.903 1.00 0.00 C ATOM 471 NZ LYS A 392 7.573 -16.901 -7.045 1.00 0.00 N ATOM 0 H LYS A 392 7.206 -15.905 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 392 4.311 -15.356 -2.030 1.00 0.00 H new ATOM 0 HB2 LYS A 392 4.884 -17.114 -4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 392 4.037 -15.580 -4.243 1.00 0.00 H new ATOM 0 HG2 LYS A 392 5.827 -15.344 -5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 392 6.309 -14.434 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 392 7.977 -15.931 -3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 392 7.122 -17.314 -4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 392 8.367 -15.142 -6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 392 9.202 -16.616 -5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 8.286 -17.099 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 7.163 -17.796 -6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 6.822 -16.305 -7.447 1.00 0.00 H new ATOM 485 N PRO A 393 3.914 -18.002 -1.813 1.00 0.00 N ATOM 486 CA PRO A 393 3.787 -19.350 -1.265 1.00 0.00 C ATOM 487 C PRO A 393 4.784 -20.295 -1.917 1.00 0.00 C ATOM 488 O PRO A 393 4.911 -20.325 -3.141 1.00 0.00 O ATOM 489 CB PRO A 393 2.348 -19.759 -1.610 1.00 0.00 C ATOM 490 CG PRO A 393 1.889 -18.774 -2.634 1.00 0.00 C ATOM 491 CD PRO A 393 2.640 -17.504 -2.351 1.00 0.00 C ATOM 0 HA PRO A 393 3.990 -19.386 -0.195 1.00 0.00 H new ATOM 0 HB2 PRO A 393 2.312 -20.776 -2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 393 1.710 -19.733 -0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 393 2.096 -19.134 -3.642 1.00 0.00 H new ATOM 0 HG3 PRO A 393 0.813 -18.614 -2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 393 2.785 -16.909 -3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 393 2.115 -16.873 -1.633 1.00 0.00 H new ATOM 499 N THR A 394 5.497 -21.058 -1.102 1.00 0.00 N ATOM 500 CA THR A 394 6.489 -21.989 -1.613 1.00 0.00 C ATOM 501 C THR A 394 6.479 -23.292 -0.826 1.00 0.00 C ATOM 502 O THR A 394 6.046 -23.329 0.326 1.00 0.00 O ATOM 503 CB THR A 394 7.902 -21.377 -1.562 1.00 0.00 C ATOM 504 OG1 THR A 394 8.349 -21.210 -0.211 1.00 0.00 O ATOM 505 CG2 THR A 394 7.933 -20.017 -2.249 1.00 0.00 C ATOM 0 H THR A 394 5.407 -21.050 -0.086 1.00 0.00 H new ATOM 0 HA THR A 394 6.227 -22.198 -2.650 1.00 0.00 H new ATOM 0 HB THR A 394 8.564 -22.070 -2.082 1.00 0.00 H new ATOM 0 HG1 THR A 394 7.628 -20.820 0.326 1.00 0.00 H new ATOM 0 HG21 THR A 394 8.942 -19.607 -2.199 1.00 0.00 H new ATOM 0 HG22 THR A 394 7.639 -20.130 -3.292 1.00 0.00 H new ATOM 0 HG23 THR A 394 7.241 -19.340 -1.748 1.00 0.00 H new ATOM 513 N ALA A 395 6.955 -24.360 -1.453 1.00 0.00 N ATOM 514 CA ALA A 395 6.998 -25.663 -0.802 1.00 0.00 C ATOM 515 C ALA A 395 7.573 -25.544 0.604 1.00 0.00 C ATOM 516 O ALA A 395 7.045 -26.118 1.556 1.00 0.00 O ATOM 517 CB ALA A 395 7.810 -26.659 -1.618 1.00 0.00 C ATOM 0 H ALA A 395 7.315 -24.350 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 395 5.975 -26.032 -0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 395 7.824 -27.622 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 395 7.358 -26.777 -2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 395 8.830 -26.292 -1.729 1.00 0.00 H new ATOM 523 N VAL A 396 8.662 -24.795 0.723 1.00 0.00 N ATOM 524 CA VAL A 396 9.319 -24.598 2.001 1.00 0.00 C ATOM 525 C VAL A 396 8.512 -23.679 2.908 1.00 0.00 C ATOM 526 O VAL A 396 8.462 -23.879 4.121 1.00 0.00 O ATOM 527 CB VAL A 396 10.732 -24.014 1.811 1.00 0.00 C ATOM 528 CG1 VAL A 396 11.428 -24.694 0.645 1.00 0.00 C ATOM 529 CG2 VAL A 396 10.682 -22.505 1.595 1.00 0.00 C ATOM 0 H VAL A 396 9.108 -24.313 -0.057 1.00 0.00 H new ATOM 0 HA VAL A 396 9.395 -25.577 2.474 1.00 0.00 H new ATOM 0 HB VAL A 396 11.301 -24.202 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 396 12.426 -24.273 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 396 11.508 -25.763 0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 396 10.851 -24.535 -0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 396 11.694 -22.122 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 396 10.093 -22.284 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 396 10.223 -22.028 2.461 1.00 0.00 H new ATOM 539 N ASP A 397 7.892 -22.664 2.318 1.00 0.00 N ATOM 540 CA ASP A 397 7.101 -21.713 3.086 1.00 0.00 C ATOM 541 C ASP A 397 5.953 -21.143 2.258 1.00 0.00 C ATOM 542 O ASP A 397 6.158 -20.296 1.390 1.00 0.00 O ATOM 543 CB ASP A 397 7.991 -20.581 3.599 1.00 0.00 C ATOM 544 CG ASP A 397 8.131 -20.606 5.108 1.00 0.00 C ATOM 545 OD1 ASP A 397 8.299 -21.707 5.671 1.00 0.00 O ATOM 546 OD2 ASP A 397 8.068 -19.522 5.728 1.00 0.00 O ATOM 0 H ASP A 397 7.922 -22.480 1.315 1.00 0.00 H new ATOM 0 HA ASP A 397 6.670 -22.245 3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 397 8.978 -20.661 3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 397 7.573 -19.623 3.290 1.00 0.00 H new ATOM 551 N PRO A 398 4.724 -21.608 2.523 1.00 0.00 N ATOM 552 CA PRO A 398 3.526 -21.153 1.804 1.00 0.00 C ATOM 553 C PRO A 398 3.077 -19.752 2.218 1.00 0.00 C ATOM 554 O PRO A 398 1.892 -19.517 2.453 1.00 0.00 O ATOM 555 CB PRO A 398 2.470 -22.182 2.202 1.00 0.00 C ATOM 556 CG PRO A 398 2.904 -22.679 3.538 1.00 0.00 C ATOM 557 CD PRO A 398 4.409 -22.624 3.544 1.00 0.00 C ATOM 0 HA PRO A 398 3.705 -21.083 0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.478 -21.732 2.251 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.416 -22.994 1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.490 -22.062 4.335 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.552 -23.697 3.707 1.00 0.00 H new ATOM 0 HD2 PRO A 398 4.796 -22.341 4.523 1.00 0.00 H new ATOM 0 HD3 PRO A 398 4.846 -23.591 3.295 1.00 0.00 H new ATOM 565 N ASN A 399 4.024 -18.822 2.302 1.00 0.00 N ATOM 566 CA ASN A 399 3.713 -17.449 2.682 1.00 0.00 C ATOM 567 C ASN A 399 4.147 -16.470 1.596 1.00 0.00 C ATOM 568 O ASN A 399 4.958 -16.802 0.730 1.00 0.00 O ATOM 569 CB ASN A 399 4.385 -17.100 4.011 1.00 0.00 C ATOM 570 CG ASN A 399 4.124 -18.147 5.079 1.00 0.00 C ATOM 571 OD1 ASN A 399 3.045 -18.197 5.668 1.00 0.00 O ATOM 572 ND2 ASN A 399 5.113 -18.996 5.328 1.00 0.00 N ATOM 0 H ASN A 399 5.011 -18.994 2.112 1.00 0.00 H new ATOM 0 HA ASN A 399 2.633 -17.367 2.802 1.00 0.00 H new ATOM 0 HB2 ASN A 399 5.460 -17.000 3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 399 4.021 -16.132 4.357 1.00 0.00 H new ATOM 0 HD21 ASN A 399 4.994 -19.725 6.031 1.00 0.00 H new ATOM 0 HD22 ASN A 399 5.992 -18.919 4.816 1.00 0.00 H new ATOM 579 N SER A 400 3.600 -15.260 1.647 1.00 0.00 N ATOM 580 CA SER A 400 3.920 -14.225 0.672 1.00 0.00 C ATOM 581 C SER A 400 4.199 -12.896 1.372 1.00 0.00 C ATOM 582 O SER A 400 3.638 -12.614 2.430 1.00 0.00 O ATOM 583 CB SER A 400 2.758 -14.052 -0.310 1.00 0.00 C ATOM 584 OG SER A 400 3.156 -13.324 -1.457 1.00 0.00 O ATOM 0 H SER A 400 2.929 -14.971 2.359 1.00 0.00 H new ATOM 0 HA SER A 400 4.813 -14.531 0.127 1.00 0.00 H new ATOM 0 HB2 SER A 400 2.384 -15.031 -0.610 1.00 0.00 H new ATOM 0 HB3 SER A 400 1.936 -13.535 0.184 1.00 0.00 H new ATOM 0 HG SER A 400 4.112 -13.118 -1.398 1.00 0.00 H new ATOM 590 N ILE A 401 5.052 -12.076 0.768 1.00 0.00 N ATOM 591 CA ILE A 401 5.384 -10.771 1.329 1.00 0.00 C ATOM 592 C ILE A 401 5.028 -9.661 0.346 1.00 0.00 C ATOM 593 O ILE A 401 5.116 -9.843 -0.868 1.00 0.00 O ATOM 594 CB ILE A 401 6.878 -10.655 1.683 1.00 0.00 C ATOM 595 CG1 ILE A 401 7.309 -11.816 2.593 1.00 0.00 C ATOM 596 CG2 ILE A 401 7.152 -9.302 2.333 1.00 0.00 C ATOM 597 CD1 ILE A 401 8.135 -11.401 3.794 1.00 0.00 C ATOM 0 H ILE A 401 5.526 -12.291 -0.109 1.00 0.00 H new ATOM 0 HA ILE A 401 4.801 -10.666 2.244 1.00 0.00 H new ATOM 0 HB ILE A 401 7.469 -10.720 0.770 1.00 0.00 H new ATOM 0 HG12 ILE A 401 6.418 -12.336 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 401 7.883 -12.530 2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 401 8.211 -9.225 2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 401 6.883 -8.504 1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 401 6.558 -9.208 3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 401 8.394 -12.283 4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 401 9.047 -10.909 3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 401 7.559 -10.712 4.412 1.00 0.00 H new ATOM 609 N VAL A 402 4.628 -8.509 0.872 1.00 0.00 N ATOM 610 CA VAL A 402 4.275 -7.387 0.014 1.00 0.00 C ATOM 611 C VAL A 402 4.635 -6.043 0.634 1.00 0.00 C ATOM 612 O VAL A 402 4.586 -5.870 1.850 1.00 0.00 O ATOM 613 CB VAL A 402 2.780 -7.408 -0.356 1.00 0.00 C ATOM 614 CG1 VAL A 402 2.351 -6.086 -0.978 1.00 0.00 C ATOM 615 CG2 VAL A 402 2.486 -8.569 -1.294 1.00 0.00 C ATOM 0 H VAL A 402 4.541 -8.329 1.872 1.00 0.00 H new ATOM 0 HA VAL A 402 4.866 -7.505 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 402 2.203 -7.546 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.291 -6.129 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 402 2.523 -5.277 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 402 2.931 -5.904 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 402 1.426 -8.572 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 402 3.076 -8.460 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 402 2.745 -9.507 -0.804 1.00 0.00 H new ATOM 625 N GLU A 403 4.991 -5.093 -0.225 1.00 0.00 N ATOM 626 CA GLU A 403 5.357 -3.748 0.211 1.00 0.00 C ATOM 627 C GLU A 403 4.668 -2.695 -0.646 1.00 0.00 C ATOM 628 O GLU A 403 4.913 -2.604 -1.847 1.00 0.00 O ATOM 629 CB GLU A 403 6.871 -3.562 0.139 1.00 0.00 C ATOM 630 CG GLU A 403 7.649 -4.836 0.411 1.00 0.00 C ATOM 631 CD GLU A 403 9.135 -4.585 0.577 1.00 0.00 C ATOM 632 OE1 GLU A 403 9.514 -3.426 0.851 1.00 0.00 O ATOM 633 OE2 GLU A 403 9.920 -5.547 0.434 1.00 0.00 O ATOM 0 H GLU A 403 5.034 -5.231 -1.235 1.00 0.00 H new ATOM 0 HA GLU A 403 5.029 -3.626 1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 403 7.137 -3.187 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 403 7.171 -2.801 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 403 7.261 -5.309 1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 403 7.492 -5.536 -0.409 1.00 0.00 H new ATOM 640 N CYS A 404 3.789 -1.906 -0.037 1.00 0.00 N ATOM 641 CA CYS A 404 3.072 -0.886 -0.779 1.00 0.00 C ATOM 642 C CYS A 404 3.959 0.315 -1.083 1.00 0.00 C ATOM 643 O CYS A 404 4.096 1.213 -0.255 1.00 0.00 O ATOM 644 CB CYS A 404 1.869 -0.420 0.042 1.00 0.00 C ATOM 645 SG CYS A 404 0.645 -1.707 0.366 1.00 0.00 S ATOM 0 H CYS A 404 3.561 -1.955 0.956 1.00 0.00 H new ATOM 0 HA CYS A 404 2.749 -1.321 -1.725 1.00 0.00 H new ATOM 0 HB2 CYS A 404 2.225 -0.026 0.994 1.00 0.00 H new ATOM 0 HB3 CYS A 404 1.383 0.403 -0.482 1.00 0.00 H new ATOM 0 HG CYS A 404 -0.093 -1.880 -0.690 1.00 0.00 H new ATOM 651 N ARG A 405 4.563 0.329 -2.270 1.00 0.00 N ATOM 652 CA ARG A 405 5.434 1.428 -2.663 1.00 0.00 C ATOM 653 C ARG A 405 4.641 2.528 -3.359 1.00 0.00 C ATOM 654 O ARG A 405 3.413 2.474 -3.425 1.00 0.00 O ATOM 655 CB ARG A 405 6.554 0.926 -3.576 1.00 0.00 C ATOM 656 CG ARG A 405 6.711 -0.586 -3.573 1.00 0.00 C ATOM 657 CD ARG A 405 8.170 -0.988 -3.718 1.00 0.00 C ATOM 658 NE ARG A 405 9.024 -0.302 -2.751 1.00 0.00 N ATOM 659 CZ ARG A 405 10.292 0.033 -2.982 1.00 0.00 C ATOM 660 NH1 ARG A 405 10.864 -0.267 -4.140 1.00 0.00 N ATOM 661 NH2 ARG A 405 10.991 0.662 -2.048 1.00 0.00 N ATOM 0 H ARG A 405 4.464 -0.405 -2.971 1.00 0.00 H new ATOM 0 HA ARG A 405 5.879 1.844 -1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 405 6.358 1.260 -4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 405 7.495 1.381 -3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 405 6.309 -0.994 -2.646 1.00 0.00 H new ATOM 0 HG3 ARG A 405 6.130 -1.016 -4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 405 8.264 -2.066 -3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 405 8.510 -0.761 -4.728 1.00 0.00 H new ATOM 0 HE ARG A 405 8.624 -0.065 -1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 405 10.332 -0.757 -4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 405 11.836 -0.008 -4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 405 10.558 0.889 -1.153 1.00 0.00 H new ATOM 0 HH22 ARG A 405 11.962 0.919 -2.224 1.00 0.00 H new ATOM 675 N VAL A 406 5.349 3.529 -3.868 1.00 0.00 N ATOM 676 CA VAL A 406 4.705 4.644 -4.547 1.00 0.00 C ATOM 677 C VAL A 406 5.634 5.297 -5.568 1.00 0.00 C ATOM 678 O VAL A 406 6.858 5.194 -5.468 1.00 0.00 O ATOM 679 CB VAL A 406 4.227 5.711 -3.540 1.00 0.00 C ATOM 680 CG1 VAL A 406 2.717 5.636 -3.361 1.00 0.00 C ATOM 681 CG2 VAL A 406 4.924 5.537 -2.199 1.00 0.00 C ATOM 0 H VAL A 406 6.366 3.591 -3.823 1.00 0.00 H new ATOM 0 HA VAL A 406 3.842 4.233 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 406 4.484 6.693 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 406 2.397 6.395 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 406 2.228 5.810 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 406 2.443 4.649 -2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 406 4.572 6.300 -1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 406 4.699 4.549 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 406 6.001 5.638 -2.333 1.00 0.00 H new ATOM 691 N GLY A 407 5.036 5.970 -6.546 1.00 0.00 N ATOM 692 CA GLY A 407 5.801 6.642 -7.582 1.00 0.00 C ATOM 693 C GLY A 407 7.045 7.329 -7.048 1.00 0.00 C ATOM 694 O GLY A 407 8.003 7.551 -7.788 1.00 0.00 O ATOM 0 H GLY A 407 4.025 6.063 -6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 407 6.091 5.915 -8.341 1.00 0.00 H new ATOM 0 HA3 GLY A 407 5.167 7.380 -8.073 1.00 0.00 H new ATOM 698 N ASP A 408 7.028 7.677 -5.766 1.00 0.00 N ATOM 699 CA ASP A 408 8.160 8.351 -5.141 1.00 0.00 C ATOM 700 C ASP A 408 9.317 7.384 -4.877 1.00 0.00 C ATOM 701 O ASP A 408 10.347 7.772 -4.326 1.00 0.00 O ATOM 702 CB ASP A 408 7.714 9.011 -3.836 1.00 0.00 C ATOM 703 CG ASP A 408 8.275 10.411 -3.678 1.00 0.00 C ATOM 704 OD1 ASP A 408 9.431 10.542 -3.227 1.00 0.00 O ATOM 705 OD2 ASP A 408 7.556 11.379 -4.004 1.00 0.00 O ATOM 0 H ASP A 408 6.242 7.503 -5.139 1.00 0.00 H new ATOM 0 HA ASP A 408 8.520 9.115 -5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 408 6.625 9.053 -3.806 1.00 0.00 H new ATOM 0 HB3 ASP A 408 8.033 8.397 -2.994 1.00 0.00 H new ATOM 710 N GLY A 409 9.145 6.127 -5.276 1.00 0.00 N ATOM 711 CA GLY A 409 10.190 5.132 -5.076 1.00 0.00 C ATOM 712 C GLY A 409 10.339 4.718 -3.625 1.00 0.00 C ATOM 713 O GLY A 409 11.183 3.886 -3.289 1.00 0.00 O ATOM 0 H GLY A 409 8.303 5.778 -5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 409 9.967 4.252 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 409 11.139 5.532 -5.434 1.00 0.00 H new ATOM 717 N THR A 410 9.511 5.294 -2.764 1.00 0.00 N ATOM 718 CA THR A 410 9.539 4.983 -1.344 1.00 0.00 C ATOM 719 C THR A 410 8.415 4.017 -0.991 1.00 0.00 C ATOM 720 O THR A 410 7.368 4.007 -1.638 1.00 0.00 O ATOM 721 CB THR A 410 9.403 6.262 -0.494 1.00 0.00 C ATOM 722 OG1 THR A 410 9.680 7.432 -1.272 1.00 0.00 O ATOM 723 CG2 THR A 410 10.358 6.238 0.693 1.00 0.00 C ATOM 0 H THR A 410 8.808 5.984 -3.028 1.00 0.00 H new ATOM 0 HA THR A 410 10.500 4.518 -1.124 1.00 0.00 H new ATOM 0 HB THR A 410 8.374 6.294 -0.136 1.00 0.00 H new ATOM 0 HG1 THR A 410 9.585 8.229 -0.710 1.00 0.00 H new ATOM 0 HG21 THR A 410 10.239 7.153 1.274 1.00 0.00 H new ATOM 0 HG22 THR A 410 10.134 5.377 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 410 11.384 6.167 0.333 1.00 0.00 H new ATOM 731 N VAL A 411 8.630 3.210 0.036 1.00 0.00 N ATOM 732 CA VAL A 411 7.620 2.248 0.461 1.00 0.00 C ATOM 733 C VAL A 411 6.832 2.776 1.651 1.00 0.00 C ATOM 734 O VAL A 411 7.387 2.990 2.728 1.00 0.00 O ATOM 735 CB VAL A 411 8.234 0.878 0.812 1.00 0.00 C ATOM 736 CG1 VAL A 411 8.909 0.911 2.173 1.00 0.00 C ATOM 737 CG2 VAL A 411 7.165 -0.204 0.767 1.00 0.00 C ATOM 0 H VAL A 411 9.487 3.200 0.588 1.00 0.00 H new ATOM 0 HA VAL A 411 6.946 2.109 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 411 8.998 0.646 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 411 9.332 -0.069 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 411 9.704 1.657 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 411 8.175 1.169 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 411 7.611 -1.167 1.017 1.00 0.00 H new ATOM 0 HG22 VAL A 411 6.380 0.030 1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 411 6.737 -0.251 -0.234 1.00 0.00 H new ATOM 747 N LEU A 412 5.532 2.987 1.452 1.00 0.00 N ATOM 748 CA LEU A 412 4.683 3.492 2.522 1.00 0.00 C ATOM 749 C LEU A 412 4.144 2.358 3.375 1.00 0.00 C ATOM 750 O LEU A 412 3.937 2.526 4.578 1.00 0.00 O ATOM 751 CB LEU A 412 3.520 4.341 1.983 1.00 0.00 C ATOM 752 CG LEU A 412 2.838 3.849 0.700 1.00 0.00 C ATOM 753 CD1 LEU A 412 1.824 2.765 1.007 1.00 0.00 C ATOM 754 CD2 LEU A 412 2.159 5.011 -0.004 1.00 0.00 C ATOM 0 H LEU A 412 5.051 2.817 0.569 1.00 0.00 H new ATOM 0 HA LEU A 412 5.309 4.134 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 412 2.763 4.413 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 412 3.891 5.350 1.804 1.00 0.00 H new ATOM 0 HG LEU A 412 3.601 3.428 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 412 1.355 2.433 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 412 2.325 1.922 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 412 1.062 3.159 1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 412 1.677 4.654 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 412 1.410 5.448 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 412 2.902 5.766 -0.260 1.00 0.00 H new ATOM 766 N GLY A 413 3.901 1.205 2.760 1.00 0.00 N ATOM 767 CA GLY A 413 3.373 0.083 3.510 1.00 0.00 C ATOM 768 C GLY A 413 4.102 -1.219 3.251 1.00 0.00 C ATOM 769 O GLY A 413 4.896 -1.332 2.318 1.00 0.00 O ATOM 0 H GLY A 413 4.058 1.029 1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 413 3.424 0.312 4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 413 2.319 -0.045 3.262 1.00 0.00 H new ATOM 773 N THR A 414 3.821 -2.202 4.096 1.00 0.00 N ATOM 774 CA THR A 414 4.437 -3.515 3.988 1.00 0.00 C ATOM 775 C THR A 414 3.635 -4.553 4.756 1.00 0.00 C ATOM 776 O THR A 414 3.507 -4.473 5.977 1.00 0.00 O ATOM 777 CB THR A 414 5.886 -3.510 4.510 1.00 0.00 C ATOM 778 OG1 THR A 414 6.719 -2.641 3.735 1.00 0.00 O ATOM 779 CG2 THR A 414 6.480 -4.910 4.470 1.00 0.00 C ATOM 0 H THR A 414 3.164 -2.112 4.871 1.00 0.00 H new ATOM 0 HA THR A 414 4.449 -3.772 2.929 1.00 0.00 H new ATOM 0 HB THR A 414 5.850 -3.151 5.539 1.00 0.00 H new ATOM 0 HG1 THR A 414 6.241 -2.367 2.925 1.00 0.00 H new ATOM 0 HG21 THR A 414 7.504 -4.882 4.843 1.00 0.00 H new ATOM 0 HG22 THR A 414 5.884 -5.576 5.094 1.00 0.00 H new ATOM 0 HG23 THR A 414 6.478 -5.277 3.444 1.00 0.00 H new ATOM 787 N GLY A 415 3.085 -5.517 4.032 1.00 0.00 N ATOM 788 CA GLY A 415 2.292 -6.546 4.668 1.00 0.00 C ATOM 789 C GLY A 415 2.583 -7.933 4.131 1.00 0.00 C ATOM 790 O GLY A 415 2.903 -8.101 2.955 1.00 0.00 O ATOM 0 H GLY A 415 3.174 -5.604 3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 415 2.480 -6.531 5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 415 1.235 -6.322 4.527 1.00 0.00 H new ATOM 794 N VAL A 416 2.457 -8.922 5.003 1.00 0.00 N ATOM 795 CA VAL A 416 2.687 -10.311 4.639 1.00 0.00 C ATOM 796 C VAL A 416 1.381 -11.089 4.747 1.00 0.00 C ATOM 797 O VAL A 416 0.558 -10.815 5.616 1.00 0.00 O ATOM 798 CB VAL A 416 3.770 -10.952 5.542 1.00 0.00 C ATOM 799 CG1 VAL A 416 3.520 -12.439 5.748 1.00 0.00 C ATOM 800 CG2 VAL A 416 5.155 -10.721 4.958 1.00 0.00 C ATOM 0 H VAL A 416 2.194 -8.785 5.979 1.00 0.00 H new ATOM 0 HA VAL A 416 3.046 -10.346 3.611 1.00 0.00 H new ATOM 0 HB VAL A 416 3.715 -10.469 6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 416 4.300 -12.854 6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 416 2.549 -12.582 6.222 1.00 0.00 H new ATOM 0 HG13 VAL A 416 3.532 -12.947 4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 416 5.904 -11.178 5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 416 5.211 -11.169 3.966 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.345 -9.650 4.884 1.00 0.00 H new ATOM 810 N GLY A 417 1.189 -12.061 3.869 1.00 0.00 N ATOM 811 CA GLY A 417 -0.027 -12.844 3.912 1.00 0.00 C ATOM 812 C GLY A 417 0.125 -14.187 3.237 1.00 0.00 C ATOM 813 O GLY A 417 1.138 -14.456 2.592 1.00 0.00 O ATOM 0 H GLY A 417 1.847 -12.320 3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 417 -0.322 -12.994 4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 417 -0.831 -12.288 3.430 1.00 0.00 H new ATOM 817 N ARG A 418 -0.886 -15.030 3.380 1.00 0.00 N ATOM 818 CA ARG A 418 -0.861 -16.349 2.770 1.00 0.00 C ATOM 819 C ARG A 418 -0.435 -16.238 1.312 1.00 0.00 C ATOM 820 O ARG A 418 0.375 -17.027 0.826 1.00 0.00 O ATOM 821 CB ARG A 418 -2.235 -17.003 2.876 1.00 0.00 C ATOM 822 CG ARG A 418 -3.362 -16.113 2.391 1.00 0.00 C ATOM 823 CD ARG A 418 -4.633 -16.331 3.199 1.00 0.00 C ATOM 824 NE ARG A 418 -5.255 -17.620 2.907 1.00 0.00 N ATOM 825 CZ ARG A 418 -6.280 -18.111 3.591 1.00 0.00 C ATOM 826 NH1 ARG A 418 -6.803 -17.419 4.592 1.00 0.00 N ATOM 827 NH2 ARG A 418 -6.785 -19.296 3.274 1.00 0.00 N ATOM 0 H ARG A 418 -1.732 -14.824 3.912 1.00 0.00 H new ATOM 0 HA ARG A 418 -0.140 -16.972 3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -2.236 -17.926 2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -2.420 -17.278 3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 418 -3.059 -15.069 2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -3.560 -16.316 1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 418 -4.400 -16.274 4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 418 -5.341 -15.530 2.984 1.00 0.00 H new ATOM 0 HE ARG A 418 -4.881 -18.172 2.135 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -6.418 -16.507 4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -7.591 -17.798 5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -6.385 -19.831 2.503 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -7.573 -19.672 3.801 1.00 0.00 H new ATOM 841 N ASN A 419 -0.981 -15.239 0.629 1.00 0.00 N ATOM 842 CA ASN A 419 -0.661 -14.990 -0.772 1.00 0.00 C ATOM 843 C ASN A 419 -0.223 -13.541 -0.971 1.00 0.00 C ATOM 844 O ASN A 419 -0.052 -12.796 -0.006 1.00 0.00 O ATOM 845 CB ASN A 419 -1.870 -15.293 -1.659 1.00 0.00 C ATOM 846 CG ASN A 419 -1.653 -16.510 -2.536 1.00 0.00 C ATOM 847 OD1 ASN A 419 -1.990 -17.632 -2.155 1.00 0.00 O ATOM 848 ND2 ASN A 419 -1.088 -16.293 -3.718 1.00 0.00 N ATOM 0 H ASN A 419 -1.653 -14.583 1.027 1.00 0.00 H new ATOM 0 HA ASN A 419 0.160 -15.649 -1.056 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -2.747 -15.453 -1.031 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -2.081 -14.428 -2.288 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -0.917 -17.073 -4.352 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -0.825 -15.346 -3.992 1.00 0.00 H new ATOM 855 N ILE A 420 -0.051 -13.142 -2.226 1.00 0.00 N ATOM 856 CA ILE A 420 0.359 -11.778 -2.544 1.00 0.00 C ATOM 857 C ILE A 420 -0.776 -10.791 -2.276 1.00 0.00 C ATOM 858 O ILE A 420 -0.560 -9.580 -2.233 1.00 0.00 O ATOM 859 CB ILE A 420 0.805 -11.646 -4.013 1.00 0.00 C ATOM 860 CG1 ILE A 420 2.188 -12.268 -4.208 1.00 0.00 C ATOM 861 CG2 ILE A 420 0.812 -10.184 -4.435 1.00 0.00 C ATOM 862 CD1 ILE A 420 2.145 -13.710 -4.659 1.00 0.00 C ATOM 0 H ILE A 420 -0.189 -13.742 -3.039 1.00 0.00 H new ATOM 0 HA ILE A 420 1.206 -11.544 -1.898 1.00 0.00 H new ATOM 0 HB ILE A 420 0.095 -12.183 -4.642 1.00 0.00 H new ATOM 0 HG12 ILE A 420 2.740 -11.682 -4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 420 2.741 -12.206 -3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 420 1.129 -10.107 -5.475 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.191 -9.770 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 420 1.503 -9.626 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 420 3.162 -14.085 -4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 420 1.621 -14.309 -3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.621 -13.778 -5.612 1.00 0.00 H new ATOM 874 N LYS A 421 -1.975 -11.319 -2.087 1.00 0.00 N ATOM 875 CA LYS A 421 -3.127 -10.486 -1.812 1.00 0.00 C ATOM 876 C LYS A 421 -3.215 -10.174 -0.333 1.00 0.00 C ATOM 877 O LYS A 421 -3.198 -9.013 0.067 1.00 0.00 O ATOM 878 CB LYS A 421 -4.400 -11.170 -2.285 1.00 0.00 C ATOM 879 CG LYS A 421 -5.661 -10.474 -1.826 1.00 0.00 C ATOM 880 CD LYS A 421 -5.521 -8.968 -1.909 1.00 0.00 C ATOM 881 CE LYS A 421 -5.346 -8.514 -3.345 1.00 0.00 C ATOM 882 NZ LYS A 421 -6.642 -8.150 -3.975 1.00 0.00 N ATOM 0 H LYS A 421 -2.172 -12.319 -2.120 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.013 -9.549 -2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.395 -11.217 -3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.408 -12.198 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.501 -10.797 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.886 -10.764 -0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.403 -8.494 -1.479 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -4.665 -8.646 -1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -4.675 -7.656 -3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -4.873 -9.309 -3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -6.708 -8.592 -4.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.425 -8.487 -3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -6.702 -7.116 -4.073 1.00 0.00 H new ATOM 896 N ILE A 422 -3.291 -11.208 0.485 1.00 0.00 N ATOM 897 CA ILE A 422 -3.363 -11.007 1.921 1.00 0.00 C ATOM 898 C ILE A 422 -2.209 -10.146 2.373 1.00 0.00 C ATOM 899 O ILE A 422 -2.358 -9.295 3.248 1.00 0.00 O ATOM 900 CB ILE A 422 -3.362 -12.333 2.691 1.00 0.00 C ATOM 901 CG1 ILE A 422 -4.569 -13.178 2.286 1.00 0.00 C ATOM 902 CG2 ILE A 422 -3.377 -12.065 4.190 1.00 0.00 C ATOM 903 CD1 ILE A 422 -5.733 -12.378 1.724 1.00 0.00 C ATOM 0 H ILE A 422 -3.304 -12.183 0.185 1.00 0.00 H new ATOM 0 HA ILE A 422 -4.306 -10.506 2.138 1.00 0.00 H new ATOM 0 HB ILE A 422 -2.455 -12.886 2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 422 -4.253 -13.909 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 422 -4.914 -13.738 3.155 1.00 0.00 H new ATOM 0 HG21 ILE A 422 -3.376 -13.012 4.729 1.00 0.00 H new ATOM 0 HG22 ILE A 422 -2.493 -11.490 4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 422 -4.273 -11.501 4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -6.547 -13.054 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -6.080 -11.666 2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -5.408 -11.840 0.834 1.00 0.00 H new ATOM 915 N ALA A 423 -1.065 -10.342 1.736 1.00 0.00 N ATOM 916 CA ALA A 423 0.097 -9.543 2.046 1.00 0.00 C ATOM 917 C ALA A 423 -0.199 -8.109 1.627 1.00 0.00 C ATOM 918 O ALA A 423 -0.136 -7.180 2.433 1.00 0.00 O ATOM 919 CB ALA A 423 1.336 -10.076 1.339 1.00 0.00 C ATOM 0 H ALA A 423 -0.922 -11.042 1.008 1.00 0.00 H new ATOM 0 HA ALA A 423 0.305 -9.586 3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 423 2.195 -9.454 1.592 1.00 0.00 H new ATOM 0 HB2 ALA A 423 1.524 -11.101 1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 423 1.177 -10.055 0.261 1.00 0.00 H new ATOM 925 N GLY A 424 -0.562 -7.951 0.356 1.00 0.00 N ATOM 926 CA GLY A 424 -0.910 -6.643 -0.166 1.00 0.00 C ATOM 927 C GLY A 424 -1.986 -5.987 0.674 1.00 0.00 C ATOM 928 O GLY A 424 -1.882 -4.815 1.029 1.00 0.00 O ATOM 0 H GLY A 424 -0.621 -8.710 -0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -0.024 -6.009 -0.186 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -1.256 -6.739 -1.195 1.00 0.00 H new ATOM 932 N ILE A 425 -3.014 -6.760 1.026 1.00 0.00 N ATOM 933 CA ILE A 425 -4.086 -6.247 1.866 1.00 0.00 C ATOM 934 C ILE A 425 -3.480 -5.689 3.148 1.00 0.00 C ATOM 935 O ILE A 425 -3.594 -4.501 3.450 1.00 0.00 O ATOM 936 CB ILE A 425 -5.104 -7.347 2.242 1.00 0.00 C ATOM 937 CG1 ILE A 425 -5.862 -7.839 1.007 1.00 0.00 C ATOM 938 CG2 ILE A 425 -6.079 -6.830 3.289 1.00 0.00 C ATOM 939 CD1 ILE A 425 -6.129 -9.328 1.018 1.00 0.00 C ATOM 0 H ILE A 425 -3.123 -7.734 0.744 1.00 0.00 H new ATOM 0 HA ILE A 425 -4.612 -5.475 1.305 1.00 0.00 H new ATOM 0 HB ILE A 425 -4.553 -8.190 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -6.811 -7.308 0.937 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -5.289 -7.587 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 425 -6.790 -7.616 3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 425 -5.530 -6.534 4.183 1.00 0.00 H new ATOM 0 HG23 ILE A 425 -6.617 -5.969 2.892 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -6.669 -9.607 0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -5.182 -9.867 1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 425 -6.728 -9.584 1.892 1.00 0.00 H new ATOM 951 N ARG A 426 -2.828 -6.578 3.888 1.00 0.00 N ATOM 952 CA ARG A 426 -2.174 -6.228 5.143 1.00 0.00 C ATOM 953 C ARG A 426 -1.270 -5.013 4.981 1.00 0.00 C ATOM 954 O ARG A 426 -1.211 -4.155 5.855 1.00 0.00 O ATOM 955 CB ARG A 426 -1.352 -7.409 5.644 1.00 0.00 C ATOM 956 CG ARG A 426 -1.393 -7.586 7.153 1.00 0.00 C ATOM 957 CD ARG A 426 -0.657 -8.844 7.575 1.00 0.00 C ATOM 958 NE ARG A 426 0.256 -8.603 8.689 1.00 0.00 N ATOM 959 CZ ARG A 426 0.778 -9.573 9.428 1.00 0.00 C ATOM 960 NH1 ARG A 426 0.493 -10.838 9.155 1.00 0.00 N ATOM 961 NH2 ARG A 426 1.588 -9.281 10.437 1.00 0.00 N ATOM 0 H ARG A 426 -2.738 -7.562 3.635 1.00 0.00 H new ATOM 0 HA ARG A 426 -2.950 -5.981 5.867 1.00 0.00 H new ATOM 0 HB2 ARG A 426 -1.716 -8.321 5.170 1.00 0.00 H new ATOM 0 HB3 ARG A 426 -0.316 -7.278 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 426 -0.944 -6.719 7.636 1.00 0.00 H new ATOM 0 HG3 ARG A 426 -2.429 -7.637 7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 426 -1.381 -9.608 7.860 1.00 0.00 H new ATOM 0 HD3 ARG A 426 -0.096 -9.236 6.727 1.00 0.00 H new ATOM 0 HE ARG A 426 0.505 -7.639 8.910 1.00 0.00 H new ATOM 0 HH11 ARG A 426 -0.127 -11.065 8.377 1.00 0.00 H new ATOM 0 HH12 ARG A 426 0.894 -11.585 9.722 1.00 0.00 H new ATOM 0 HH21 ARG A 426 1.811 -8.308 10.647 1.00 0.00 H new ATOM 0 HH22 ARG A 426 1.988 -10.029 11.003 1.00 0.00 H new ATOM 975 N ALA A 427 -0.560 -4.953 3.862 1.00 0.00 N ATOM 976 CA ALA A 427 0.350 -3.844 3.587 1.00 0.00 C ATOM 977 C ALA A 427 -0.430 -2.554 3.360 1.00 0.00 C ATOM 978 O ALA A 427 -0.299 -1.588 4.110 1.00 0.00 O ATOM 979 CB ALA A 427 1.211 -4.148 2.372 1.00 0.00 C ATOM 0 H ALA A 427 -0.596 -5.660 3.127 1.00 0.00 H new ATOM 0 HA ALA A 427 0.998 -3.715 4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.882 -3.310 2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.797 -5.048 2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.572 -4.304 1.503 1.00 0.00 H new ATOM 985 N ALA A 428 -1.243 -2.560 2.318 1.00 0.00 N ATOM 986 CA ALA A 428 -2.053 -1.399 1.977 1.00 0.00 C ATOM 987 C ALA A 428 -2.628 -0.826 3.255 1.00 0.00 C ATOM 988 O ALA A 428 -2.498 0.362 3.541 1.00 0.00 O ATOM 989 CB ALA A 428 -3.164 -1.776 1.016 1.00 0.00 C ATOM 0 H ALA A 428 -1.361 -3.356 1.691 1.00 0.00 H new ATOM 0 HA ALA A 428 -1.432 -0.654 1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -3.754 -0.891 0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -2.732 -2.182 0.101 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -3.806 -2.526 1.478 1.00 0.00 H new ATOM 995 N GLU A 429 -3.235 -1.711 4.028 1.00 0.00 N ATOM 996 CA GLU A 429 -3.821 -1.366 5.309 1.00 0.00 C ATOM 997 C GLU A 429 -2.744 -0.848 6.262 1.00 0.00 C ATOM 998 O GLU A 429 -2.846 0.246 6.805 1.00 0.00 O ATOM 999 CB GLU A 429 -4.472 -2.616 5.883 1.00 0.00 C ATOM 1000 CG GLU A 429 -5.899 -2.402 6.351 1.00 0.00 C ATOM 1001 CD GLU A 429 -5.981 -2.053 7.820 1.00 0.00 C ATOM 1002 OE1 GLU A 429 -5.365 -2.772 8.632 1.00 0.00 O ATOM 1003 OE2 GLU A 429 -6.652 -1.055 8.160 1.00 0.00 O ATOM 0 H GLU A 429 -3.335 -2.696 3.781 1.00 0.00 H new ATOM 0 HA GLU A 429 -4.564 -0.579 5.181 1.00 0.00 H new ATOM 0 HB2 GLU A 429 -4.461 -3.400 5.126 1.00 0.00 H new ATOM 0 HB3 GLU A 429 -3.874 -2.974 6.721 1.00 0.00 H new ATOM 0 HG2 GLU A 429 -6.354 -1.603 5.765 1.00 0.00 H new ATOM 0 HG3 GLU A 429 -6.479 -3.305 6.163 1.00 0.00 H new ATOM 1010 N ASN A 430 -1.721 -1.669 6.447 1.00 0.00 N ATOM 1011 CA ASN A 430 -0.614 -1.331 7.337 1.00 0.00 C ATOM 1012 C ASN A 430 -0.199 0.108 7.094 1.00 0.00 C ATOM 1013 O ASN A 430 -0.185 0.928 8.010 1.00 0.00 O ATOM 1014 CB ASN A 430 0.572 -2.261 7.109 1.00 0.00 C ATOM 1015 CG ASN A 430 1.785 -1.862 7.930 1.00 0.00 C ATOM 1016 OD1 ASN A 430 1.998 -2.368 9.032 1.00 0.00 O ATOM 1017 ND2 ASN A 430 2.589 -0.949 7.396 1.00 0.00 N ATOM 0 H ASN A 430 -1.632 -2.578 5.992 1.00 0.00 H new ATOM 0 HA ASN A 430 -0.943 -1.451 8.369 1.00 0.00 H new ATOM 0 HB2 ASN A 430 0.284 -3.281 7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 430 0.835 -2.258 6.051 1.00 0.00 H new ATOM 0 HD21 ASN A 430 3.420 -0.642 7.902 1.00 0.00 H new ATOM 0 HD22 ASN A 430 2.376 -0.555 6.480 1.00 0.00 H new ATOM 1024 N ALA A 431 0.104 0.412 5.844 1.00 0.00 N ATOM 1025 CA ALA A 431 0.482 1.758 5.462 1.00 0.00 C ATOM 1026 C ALA A 431 -0.700 2.690 5.659 1.00 0.00 C ATOM 1027 O ALA A 431 -0.546 3.856 6.024 1.00 0.00 O ATOM 1028 CB ALA A 431 0.942 1.792 4.016 1.00 0.00 C ATOM 0 H ALA A 431 0.095 -0.259 5.075 1.00 0.00 H new ATOM 0 HA ALA A 431 1.310 2.087 6.091 1.00 0.00 H new ATOM 0 HB1 ALA A 431 1.222 2.811 3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 431 1.803 1.135 3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 431 0.132 1.455 3.369 1.00 0.00 H new ATOM 1034 N LEU A 432 -1.885 2.153 5.408 1.00 0.00 N ATOM 1035 CA LEU A 432 -3.122 2.901 5.541 1.00 0.00 C ATOM 1036 C LEU A 432 -3.405 3.234 7.005 1.00 0.00 C ATOM 1037 O LEU A 432 -4.017 4.259 7.305 1.00 0.00 O ATOM 1038 CB LEU A 432 -4.248 2.079 4.897 1.00 0.00 C ATOM 1039 CG LEU A 432 -5.633 2.106 5.549 1.00 0.00 C ATOM 1040 CD1 LEU A 432 -6.581 1.266 4.714 1.00 0.00 C ATOM 1041 CD2 LEU A 432 -5.609 1.570 6.971 1.00 0.00 C ATOM 0 H LEU A 432 -2.014 1.187 5.107 1.00 0.00 H new ATOM 0 HA LEU A 432 -3.046 3.859 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -4.359 2.418 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -3.920 1.040 4.857 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.965 3.143 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -7.572 1.277 5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -6.639 1.676 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -6.214 0.241 4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -6.614 1.609 7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -5.258 0.538 6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -4.938 2.178 7.578 1.00 0.00 H new ATOM 1053 N ARG A 433 -2.945 2.372 7.916 1.00 0.00 N ATOM 1054 CA ARG A 433 -3.146 2.598 9.345 1.00 0.00 C ATOM 1055 C ARG A 433 -2.546 3.933 9.756 1.00 0.00 C ATOM 1056 O ARG A 433 -3.054 4.613 10.647 1.00 0.00 O ATOM 1057 CB ARG A 433 -2.499 1.485 10.175 1.00 0.00 C ATOM 1058 CG ARG A 433 -2.584 0.105 9.550 1.00 0.00 C ATOM 1059 CD ARG A 433 -4.012 -0.253 9.192 1.00 0.00 C ATOM 1060 NE ARG A 433 -4.742 -0.796 10.333 1.00 0.00 N ATOM 1061 CZ ARG A 433 -4.481 -1.980 10.879 1.00 0.00 C ATOM 1062 NH1 ARG A 433 -3.528 -2.752 10.373 1.00 0.00 N ATOM 1063 NH2 ARG A 433 -5.180 -2.397 11.925 1.00 0.00 N ATOM 0 H ARG A 433 -2.435 1.518 7.689 1.00 0.00 H new ATOM 0 HA ARG A 433 -4.220 2.602 9.532 1.00 0.00 H new ATOM 0 HB2 ARG A 433 -1.450 1.733 10.337 1.00 0.00 H new ATOM 0 HB3 ARG A 433 -2.975 1.456 11.155 1.00 0.00 H new ATOM 0 HG2 ARG A 433 -1.963 0.071 8.655 1.00 0.00 H new ATOM 0 HG3 ARG A 433 -2.185 -0.635 10.243 1.00 0.00 H new ATOM 0 HD2 ARG A 433 -4.526 0.634 8.822 1.00 0.00 H new ATOM 0 HD3 ARG A 433 -4.011 -0.982 8.382 1.00 0.00 H new ATOM 0 HE ARG A 433 -5.494 -0.236 10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 433 -2.993 -2.438 9.563 1.00 0.00 H new ATOM 0 HH12 ARG A 433 -3.330 -3.660 10.794 1.00 0.00 H new ATOM 0 HH21 ARG A 433 -5.919 -1.810 12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 433 -4.979 -3.305 12.343 1.00 0.00 H new ATOM 1077 N ASP A 434 -1.446 4.289 9.103 1.00 0.00 N ATOM 1078 CA ASP A 434 -0.738 5.526 9.385 1.00 0.00 C ATOM 1079 C ASP A 434 -1.444 6.736 8.773 1.00 0.00 C ATOM 1080 O ASP A 434 -1.442 6.918 7.556 1.00 0.00 O ATOM 1081 CB ASP A 434 0.686 5.425 8.847 1.00 0.00 C ATOM 1082 CG ASP A 434 1.336 4.097 9.179 1.00 0.00 C ATOM 1083 OD1 ASP A 434 0.766 3.048 8.810 1.00 0.00 O ATOM 1084 OD2 ASP A 434 2.417 4.105 9.809 1.00 0.00 O ATOM 0 H ASP A 434 -1.022 3.727 8.365 1.00 0.00 H new ATOM 0 HA ASP A 434 -0.720 5.670 10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 434 0.673 5.560 7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 434 1.287 6.234 9.262 1.00 0.00 H new ATOM 1089 N LYS A 435 -2.033 7.565 9.630 1.00 0.00 N ATOM 1090 CA LYS A 435 -2.729 8.768 9.176 1.00 0.00 C ATOM 1091 C LYS A 435 -1.734 9.815 8.710 1.00 0.00 C ATOM 1092 O LYS A 435 -1.799 10.286 7.575 1.00 0.00 O ATOM 1093 CB LYS A 435 -3.596 9.347 10.289 1.00 0.00 C ATOM 1094 CG LYS A 435 -4.646 10.319 9.780 1.00 0.00 C ATOM 1095 CD LYS A 435 -6.051 9.753 9.922 1.00 0.00 C ATOM 1096 CE LYS A 435 -6.180 8.413 9.220 1.00 0.00 C ATOM 1097 NZ LYS A 435 -7.483 7.755 9.510 1.00 0.00 N ATOM 0 H LYS A 435 -2.043 7.428 10.641 1.00 0.00 H new ATOM 0 HA LYS A 435 -3.370 8.487 8.341 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -4.090 8.532 10.818 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -2.958 9.856 11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -4.573 11.256 10.332 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -4.451 10.550 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -6.294 9.637 10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -6.772 10.456 9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -6.077 8.556 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -5.366 7.759 9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -7.530 6.843 9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -7.571 7.595 10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -8.260 8.366 9.187 1.00 0.00 H new ATOM 1111 N LYS A 436 -0.836 10.200 9.605 1.00 0.00 N ATOM 1112 CA LYS A 436 0.153 11.220 9.295 1.00 0.00 C ATOM 1113 C LYS A 436 0.618 11.087 7.852 1.00 0.00 C ATOM 1114 O LYS A 436 0.628 12.067 7.107 1.00 0.00 O ATOM 1115 CB LYS A 436 1.347 11.104 10.243 1.00 0.00 C ATOM 1116 CG LYS A 436 1.305 12.091 11.398 1.00 0.00 C ATOM 1117 CD LYS A 436 1.747 11.443 12.702 1.00 0.00 C ATOM 1118 CE LYS A 436 3.171 11.835 13.062 1.00 0.00 C ATOM 1119 NZ LYS A 436 3.802 10.856 13.991 1.00 0.00 N ATOM 0 H LYS A 436 -0.772 9.822 10.550 1.00 0.00 H new ATOM 0 HA LYS A 436 -0.307 12.199 9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 436 1.385 10.091 10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 436 2.266 11.258 9.677 1.00 0.00 H new ATOM 0 HG2 LYS A 436 1.951 12.941 11.176 1.00 0.00 H new ATOM 0 HG3 LYS A 436 0.293 12.480 11.509 1.00 0.00 H new ATOM 0 HD2 LYS A 436 1.072 11.740 13.505 1.00 0.00 H new ATOM 0 HD3 LYS A 436 1.678 10.359 12.613 1.00 0.00 H new ATOM 0 HE2 LYS A 436 3.768 11.908 12.153 1.00 0.00 H new ATOM 0 HE3 LYS A 436 3.170 12.823 13.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 4.772 11.161 14.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 3.248 10.804 14.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 3.828 9.918 13.542 1.00 0.00 H new ATOM 1133 N MET A 437 0.982 9.877 7.455 1.00 0.00 N ATOM 1134 CA MET A 437 1.421 9.647 6.081 1.00 0.00 C ATOM 1135 C MET A 437 0.238 9.835 5.148 1.00 0.00 C ATOM 1136 O MET A 437 0.349 10.487 4.116 1.00 0.00 O ATOM 1137 CB MET A 437 2.053 8.259 5.888 1.00 0.00 C ATOM 1138 CG MET A 437 1.927 7.338 7.089 1.00 0.00 C ATOM 1139 SD MET A 437 3.008 7.812 8.456 1.00 0.00 S ATOM 1140 CE MET A 437 4.614 7.400 7.781 1.00 0.00 C ATOM 0 H MET A 437 0.984 9.049 8.051 1.00 0.00 H new ATOM 0 HA MET A 437 2.201 10.372 5.847 1.00 0.00 H new ATOM 0 HB2 MET A 437 1.588 7.778 5.027 1.00 0.00 H new ATOM 0 HB3 MET A 437 3.110 8.384 5.651 1.00 0.00 H new ATOM 0 HG2 MET A 437 0.893 7.338 7.434 1.00 0.00 H new ATOM 0 HG3 MET A 437 2.161 6.318 6.784 1.00 0.00 H new ATOM 0 HE1 MET A 437 5.334 7.294 8.593 1.00 0.00 H new ATOM 0 HE2 MET A 437 4.547 6.462 7.230 1.00 0.00 H new ATOM 0 HE3 MET A 437 4.940 8.193 7.109 1.00 0.00 H new ATOM 1150 N LEU A 438 -0.912 9.299 5.537 1.00 0.00 N ATOM 1151 CA LEU A 438 -2.119 9.462 4.744 1.00 0.00 C ATOM 1152 C LEU A 438 -2.251 10.928 4.366 1.00 0.00 C ATOM 1153 O LEU A 438 -2.207 11.302 3.195 1.00 0.00 O ATOM 1154 CB LEU A 438 -3.333 9.049 5.575 1.00 0.00 C ATOM 1155 CG LEU A 438 -4.076 7.808 5.098 1.00 0.00 C ATOM 1156 CD1 LEU A 438 -3.105 6.671 4.821 1.00 0.00 C ATOM 1157 CD2 LEU A 438 -5.107 7.394 6.135 1.00 0.00 C ATOM 0 H LEU A 438 -1.032 8.752 6.390 1.00 0.00 H new ATOM 0 HA LEU A 438 -2.065 8.842 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -3.006 8.881 6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -4.035 9.883 5.597 1.00 0.00 H new ATOM 0 HG LEU A 438 -4.589 8.043 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -3.658 5.795 4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.398 6.976 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -2.562 6.426 5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -5.635 6.506 5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -4.606 7.174 7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -5.820 8.205 6.284 1.00 0.00 H new ATOM 1169 N ASP A 439 -2.391 11.742 5.403 1.00 0.00 N ATOM 1170 CA ASP A 439 -2.510 13.189 5.269 1.00 0.00 C ATOM 1171 C ASP A 439 -1.247 13.778 4.653 1.00 0.00 C ATOM 1172 O ASP A 439 -1.259 14.877 4.116 1.00 0.00 O ATOM 1173 CB ASP A 439 -2.736 13.803 6.649 1.00 0.00 C ATOM 1174 CG ASP A 439 -3.816 14.871 6.639 1.00 0.00 C ATOM 1175 OD1 ASP A 439 -4.098 15.419 5.553 1.00 0.00 O ATOM 1176 OD2 ASP A 439 -4.378 15.160 7.717 1.00 0.00 O ATOM 0 H ASP A 439 -2.426 11.415 6.369 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.353 13.414 4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -3.013 13.017 7.352 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.803 14.237 7.007 1.00 0.00 H new ATOM 1181 N PHE A 440 -0.172 13.015 4.721 1.00 0.00 N ATOM 1182 CA PHE A 440 1.097 13.436 4.158 1.00 0.00 C ATOM 1183 C PHE A 440 1.014 13.357 2.641 1.00 0.00 C ATOM 1184 O PHE A 440 1.231 14.346 1.940 1.00 0.00 O ATOM 1185 CB PHE A 440 2.233 12.561 4.694 1.00 0.00 C ATOM 1186 CG PHE A 440 3.601 12.968 4.224 1.00 0.00 C ATOM 1187 CD1 PHE A 440 4.103 12.489 3.024 1.00 0.00 C ATOM 1188 CD2 PHE A 440 4.391 13.811 4.990 1.00 0.00 C ATOM 1189 CE1 PHE A 440 5.365 12.849 2.592 1.00 0.00 C ATOM 1190 CE2 PHE A 440 5.656 14.172 4.566 1.00 0.00 C ATOM 1191 CZ PHE A 440 6.144 13.691 3.365 1.00 0.00 C ATOM 0 H PHE A 440 -0.153 12.096 5.163 1.00 0.00 H new ATOM 0 HA PHE A 440 1.308 14.465 4.450 1.00 0.00 H new ATOM 0 HB2 PHE A 440 2.213 12.587 5.784 1.00 0.00 H new ATOM 0 HB3 PHE A 440 2.052 11.528 4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 440 3.501 11.827 2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 440 4.014 14.190 5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 440 5.743 12.474 1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 440 6.262 14.829 5.172 1.00 0.00 H new ATOM 0 HZ PHE A 440 7.132 13.972 3.031 1.00 0.00 H new ATOM 1201 N TYR A 441 0.678 12.173 2.146 1.00 0.00 N ATOM 1202 CA TYR A 441 0.536 11.950 0.723 1.00 0.00 C ATOM 1203 C TYR A 441 -0.557 12.843 0.166 1.00 0.00 C ATOM 1204 O TYR A 441 -0.332 13.587 -0.787 1.00 0.00 O ATOM 1205 CB TYR A 441 0.238 10.481 0.454 1.00 0.00 C ATOM 1206 CG TYR A 441 1.438 9.591 0.674 1.00 0.00 C ATOM 1207 CD1 TYR A 441 2.712 10.015 0.319 1.00 0.00 C ATOM 1208 CD2 TYR A 441 1.295 8.329 1.223 1.00 0.00 C ATOM 1209 CE1 TYR A 441 3.812 9.204 0.507 1.00 0.00 C ATOM 1210 CE2 TYR A 441 2.389 7.506 1.415 1.00 0.00 C ATOM 1211 CZ TYR A 441 3.648 7.951 1.055 1.00 0.00 C ATOM 1212 OH TYR A 441 4.745 7.141 1.242 1.00 0.00 O ATOM 0 H TYR A 441 0.498 11.349 2.719 1.00 0.00 H new ATOM 0 HA TYR A 441 1.470 12.204 0.221 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -0.574 10.155 1.103 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -0.110 10.368 -0.573 1.00 0.00 H new ATOM 0 HD1 TYR A 441 2.844 10.997 -0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 441 0.313 7.981 1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 441 4.796 9.550 0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 441 2.261 6.523 1.843 1.00 0.00 H new ATOM 0 HH TYR A 441 4.930 7.057 2.201 1.00 0.00 H new ATOM 1222 N ALA A 442 -1.732 12.805 0.785 1.00 0.00 N ATOM 1223 CA ALA A 442 -2.818 13.663 0.346 1.00 0.00 C ATOM 1224 C ALA A 442 -2.284 15.084 0.276 1.00 0.00 C ATOM 1225 O ALA A 442 -2.221 15.694 -0.794 1.00 0.00 O ATOM 1226 CB ALA A 442 -4.007 13.589 1.297 1.00 0.00 C ATOM 0 H ALA A 442 -1.951 12.201 1.577 1.00 0.00 H new ATOM 0 HA ALA A 442 -3.172 13.335 -0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 442 -4.801 14.243 0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 442 -4.374 12.564 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 442 -3.697 13.907 2.292 1.00 0.00 H new ATOM 1232 N LYS A 443 -1.889 15.594 1.437 1.00 0.00 N ATOM 1233 CA LYS A 443 -1.344 16.935 1.544 1.00 0.00 C ATOM 1234 C LYS A 443 -0.342 17.171 0.440 1.00 0.00 C ATOM 1235 O LYS A 443 -0.221 18.276 -0.080 1.00 0.00 O ATOM 1236 CB LYS A 443 -0.658 17.124 2.889 1.00 0.00 C ATOM 1237 CG LYS A 443 -1.615 17.371 4.039 1.00 0.00 C ATOM 1238 CD LYS A 443 -1.974 18.841 4.159 1.00 0.00 C ATOM 1239 CE LYS A 443 -2.996 19.259 3.111 1.00 0.00 C ATOM 1240 NZ LYS A 443 -4.170 19.938 3.724 1.00 0.00 N ATOM 0 H LYS A 443 -1.938 15.091 2.323 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.164 17.648 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -0.062 16.238 3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 443 0.033 17.964 2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -2.522 16.785 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -1.163 17.029 4.970 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -2.372 19.038 5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.073 19.445 4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.525 19.927 2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -3.331 18.381 2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -4.843 20.207 2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -4.635 19.292 4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -3.853 20.790 4.229 1.00 0.00 H new ATOM 1254 N GLN A 444 0.353 16.112 0.061 1.00 0.00 N ATOM 1255 CA GLN A 444 1.319 16.200 -1.019 1.00 0.00 C ATOM 1256 C GLN A 444 0.575 16.491 -2.317 1.00 0.00 C ATOM 1257 O GLN A 444 0.845 17.476 -3.004 1.00 0.00 O ATOM 1258 CB GLN A 444 2.111 14.898 -1.147 1.00 0.00 C ATOM 1259 CG GLN A 444 3.496 15.095 -1.742 1.00 0.00 C ATOM 1260 CD GLN A 444 4.259 13.794 -1.902 1.00 0.00 C ATOM 1261 OE1 GLN A 444 3.669 12.732 -2.090 1.00 0.00 O ATOM 1262 NE2 GLN A 444 5.583 13.877 -1.829 1.00 0.00 N ATOM 0 H GLN A 444 0.267 15.187 0.482 1.00 0.00 H new ATOM 0 HA GLN A 444 2.026 17.002 -0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 444 2.207 14.441 -0.162 1.00 0.00 H new ATOM 0 HB3 GLN A 444 1.551 14.200 -1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 444 3.403 15.578 -2.715 1.00 0.00 H new ATOM 0 HG3 GLN A 444 4.067 15.770 -1.105 1.00 0.00 H new ATOM 0 HE21 GLN A 444 6.029 14.781 -1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 444 6.153 13.037 -1.930 1.00 0.00 H new