USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=18 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 Single : A 368 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 369 ASN : amide:sc= -1.75 K(o=-1.8,f=-3.9!) USER MOD Single : A 371 LYS NZ :NH3+ 162:sc= -1.07 (180deg=-2.4!) USER MOD Single : A 373 GLN : amide:sc= 0 X(o=0,f=0) 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 USER MOD Single : A 386 HIS :FLIP no HE2:sc= -5.66! C(o=-6.3!,f=-5.7!) USER MOD Single : A 387 TYR OH : rot 150:sc= -5.7! USER MOD Single : A 389 THR OG1 : rot 130:sc= -2.97! USER MOD Single : A 391 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00966) USER MOD Single : A 392 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 394 THR OG1 : rot -48:sc= -1.38! USER MOD Single : A 399 ASN :FLIP amide:sc=-0.00971 F(o=-0.55,f=-0.0097) USER MOD Single : A 400 SER OG : rot -4:sc= -1.47! USER MOD Single : A 404 CYS SG : rot -90:sc= -2.28 USER MOD Single : A 410 THR OG1 : rot 180:sc= 0 USER MOD Single : A 414 THR OG1 : rot 9:sc= 0.832 USER MOD Single : A 419 ASN :FLIP amide:sc= -1.62 F(o=-3!,f=-1.6) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -0.0968 K(o=-0.097,f=-2.4!) 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 141:sc= -0.383 (180deg=-1.34!) USER MOD Single : A 441 TYR OH : rot 130: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 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 40 N ASP A 367 -8.075 -7.199 7.033 1.00 0.00 N ATOM 41 CA ASP A 367 -9.196 -6.381 6.580 1.00 0.00 C ATOM 42 C ASP A 367 -9.810 -6.953 5.307 1.00 0.00 C ATOM 43 O ASP A 367 -9.466 -8.056 4.882 1.00 0.00 O ATOM 44 CB ASP A 367 -8.737 -4.943 6.333 1.00 0.00 C ATOM 45 CG ASP A 367 -8.302 -4.248 7.607 1.00 0.00 C ATOM 46 OD1 ASP A 367 -7.501 -4.839 8.362 1.00 0.00 O ATOM 47 OD2 ASP A 367 -8.763 -3.113 7.851 1.00 0.00 O ATOM 0 HA ASP A 367 -9.955 -6.386 7.362 1.00 0.00 H new ATOM 0 HB2 ASP A 367 -7.910 -4.946 5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 367 -9.549 -4.379 5.874 1.00 0.00 H new ATOM 52 N MET A 368 -10.718 -6.195 4.701 1.00 0.00 N ATOM 53 CA MET A 368 -11.377 -6.630 3.475 1.00 0.00 C ATOM 54 C MET A 368 -10.945 -5.778 2.288 1.00 0.00 C ATOM 55 O MET A 368 -10.609 -6.302 1.227 1.00 0.00 O ATOM 56 CB MET A 368 -12.898 -6.571 3.634 1.00 0.00 C ATOM 57 CG MET A 368 -13.360 -5.640 4.743 1.00 0.00 C ATOM 58 SD MET A 368 -13.138 -6.354 6.384 1.00 0.00 S ATOM 59 CE MET A 368 -14.800 -6.926 6.732 1.00 0.00 C ATOM 0 H MET A 368 -11.014 -5.279 5.038 1.00 0.00 H new ATOM 0 HA MET A 368 -11.080 -7.661 3.284 1.00 0.00 H new ATOM 0 HB2 MET A 368 -13.341 -6.248 2.692 1.00 0.00 H new ATOM 0 HB3 MET A 368 -13.273 -7.575 3.834 1.00 0.00 H new ATOM 0 HG2 MET A 368 -12.806 -4.703 4.680 1.00 0.00 H new ATOM 0 HG3 MET A 368 -14.413 -5.399 4.595 1.00 0.00 H new ATOM 0 HE1 MET A 368 -14.825 -7.393 7.716 1.00 0.00 H new ATOM 0 HE2 MET A 368 -15.487 -6.080 6.714 1.00 0.00 H new ATOM 0 HE3 MET A 368 -15.100 -7.653 5.977 1.00 0.00 H new ATOM 69 N ASN A 369 -10.952 -4.462 2.471 1.00 0.00 N ATOM 70 CA ASN A 369 -10.556 -3.551 1.405 1.00 0.00 C ATOM 71 C ASN A 369 -9.448 -2.612 1.865 1.00 0.00 C ATOM 72 O ASN A 369 -9.688 -1.445 2.171 1.00 0.00 O ATOM 73 CB ASN A 369 -11.764 -2.746 0.937 1.00 0.00 C ATOM 74 CG ASN A 369 -12.236 -3.157 -0.443 1.00 0.00 C ATOM 75 OD1 ASN A 369 -11.485 -3.749 -1.218 1.00 0.00 O ATOM 76 ND2 ASN A 369 -13.488 -2.846 -0.757 1.00 0.00 N ATOM 0 H ASN A 369 -11.226 -4.005 3.341 1.00 0.00 H new ATOM 0 HA ASN A 369 -10.172 -4.144 0.575 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -12.579 -2.873 1.649 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -11.510 -1.686 0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 369 -13.862 -3.099 -1.672 1.00 0.00 H new ATOM 0 HD22 ASN A 369 -14.076 -2.355 -0.084 1.00 0.00 H new ATOM 83 N ALA A 370 -8.230 -3.135 1.883 1.00 0.00 N ATOM 84 CA ALA A 370 -7.061 -2.358 2.279 1.00 0.00 C ATOM 85 C ALA A 370 -6.570 -1.504 1.125 1.00 0.00 C ATOM 86 O ALA A 370 -6.503 -0.285 1.226 1.00 0.00 O ATOM 87 CB ALA A 370 -5.943 -3.259 2.763 1.00 0.00 C ATOM 0 H ALA A 370 -8.024 -4.100 1.626 1.00 0.00 H new ATOM 0 HA ALA A 370 -7.361 -1.707 3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -5.085 -2.652 3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.286 -3.834 3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -5.653 -3.940 1.963 1.00 0.00 H new ATOM 93 N LYS A 371 -6.235 -2.156 0.020 1.00 0.00 N ATOM 94 CA LYS A 371 -5.767 -1.452 -1.161 1.00 0.00 C ATOM 95 C LYS A 371 -6.831 -0.461 -1.588 1.00 0.00 C ATOM 96 O LYS A 371 -6.545 0.655 -1.998 1.00 0.00 O ATOM 97 CB LYS A 371 -5.492 -2.450 -2.285 1.00 0.00 C ATOM 98 CG LYS A 371 -4.422 -3.473 -1.942 1.00 0.00 C ATOM 99 CD LYS A 371 -5.026 -4.707 -1.287 1.00 0.00 C ATOM 100 CE LYS A 371 -4.428 -5.989 -1.843 1.00 0.00 C ATOM 101 NZ LYS A 371 -3.086 -5.763 -2.449 1.00 0.00 N ATOM 0 H LYS A 371 -6.279 -3.170 -0.081 1.00 0.00 H new ATOM 0 HA LYS A 371 -4.841 -0.922 -0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -6.417 -2.972 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -5.188 -1.904 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -3.890 -3.763 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -3.689 -3.025 -1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -4.860 -4.665 -0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -6.105 -4.711 -1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -4.345 -6.726 -1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -5.099 -6.406 -2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -2.587 -6.671 -2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -3.198 -5.337 -3.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -2.535 -5.123 -1.843 1.00 0.00 H new ATOM 115 N ARG A 372 -8.065 -0.897 -1.440 1.00 0.00 N ATOM 116 CA ARG A 372 -9.210 -0.065 -1.772 1.00 0.00 C ATOM 117 C ARG A 372 -9.228 1.164 -0.882 1.00 0.00 C ATOM 118 O ARG A 372 -9.196 2.297 -1.365 1.00 0.00 O ATOM 119 CB ARG A 372 -10.526 -0.820 -1.617 1.00 0.00 C ATOM 120 CG ARG A 372 -11.740 0.098 -1.661 1.00 0.00 C ATOM 121 CD ARG A 372 -12.449 0.005 -2.999 1.00 0.00 C ATOM 122 NE ARG A 372 -13.751 0.665 -2.978 1.00 0.00 N ATOM 123 CZ ARG A 372 -13.910 1.985 -2.995 1.00 0.00 C ATOM 124 NH1 ARG A 372 -12.852 2.784 -3.028 1.00 0.00 N ATOM 125 NH2 ARG A 372 -15.129 2.506 -2.981 1.00 0.00 N ATOM 0 H ARG A 372 -8.304 -1.825 -1.091 1.00 0.00 H new ATOM 0 HA ARG A 372 -9.111 0.229 -2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -10.609 -1.563 -2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -10.520 -1.362 -0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -12.431 -0.169 -0.861 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -11.428 1.127 -1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -11.826 0.457 -3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -12.579 -1.043 -3.268 1.00 0.00 H new ATOM 0 HE ARG A 372 -14.586 0.080 -2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -11.913 2.386 -3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -12.978 3.796 -3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -15.945 1.894 -2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -15.251 3.519 -2.994 1.00 0.00 H new ATOM 139 N GLN A 373 -9.284 0.935 0.420 1.00 0.00 N ATOM 140 CA GLN A 373 -9.312 2.028 1.376 1.00 0.00 C ATOM 141 C GLN A 373 -8.074 2.903 1.220 1.00 0.00 C ATOM 142 O GLN A 373 -8.172 4.097 0.985 1.00 0.00 O ATOM 143 CB GLN A 373 -9.413 1.471 2.791 1.00 0.00 C ATOM 144 CG GLN A 373 -9.570 2.541 3.848 1.00 0.00 C ATOM 145 CD GLN A 373 -11.009 2.734 4.276 1.00 0.00 C ATOM 146 OE1 GLN A 373 -11.707 3.614 3.771 1.00 0.00 O ATOM 147 NE2 GLN A 373 -11.463 1.909 5.211 1.00 0.00 N ATOM 0 H GLN A 373 -9.311 0.005 0.837 1.00 0.00 H new ATOM 0 HA GLN A 373 -10.187 2.650 1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 373 -10.262 0.790 2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -8.520 0.885 3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -8.969 2.277 4.718 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -9.180 3.484 3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -10.849 1.194 5.602 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -12.426 1.990 5.539 1.00 0.00 H new ATOM 156 N LEU A 374 -6.919 2.276 1.308 1.00 0.00 N ATOM 157 CA LEU A 374 -5.666 2.984 1.135 1.00 0.00 C ATOM 158 C LEU A 374 -5.750 3.829 -0.138 1.00 0.00 C ATOM 159 O LEU A 374 -5.642 5.055 -0.093 1.00 0.00 O ATOM 160 CB LEU A 374 -4.494 1.999 1.072 1.00 0.00 C ATOM 161 CG LEU A 374 -3.097 2.627 1.107 1.00 0.00 C ATOM 162 CD1 LEU A 374 -2.642 3.015 -0.286 1.00 0.00 C ATOM 163 CD2 LEU A 374 -3.061 3.835 2.033 1.00 0.00 C ATOM 0 H LEU A 374 -6.821 1.279 1.498 1.00 0.00 H new ATOM 0 HA LEU A 374 -5.491 3.640 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 374 -4.581 1.305 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -4.586 1.411 0.158 1.00 0.00 H new ATOM 0 HG LEU A 374 -2.408 1.878 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 374 -1.648 3.458 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 374 -2.611 2.128 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 374 -3.340 3.738 -0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 374 -2.057 4.260 2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 374 -3.771 4.584 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 374 -3.329 3.527 3.044 1.00 0.00 H new ATOM 175 N TYR A 375 -5.957 3.159 -1.270 1.00 0.00 N ATOM 176 CA TYR A 375 -6.069 3.842 -2.565 1.00 0.00 C ATOM 177 C TYR A 375 -6.954 5.070 -2.441 1.00 0.00 C ATOM 178 O TYR A 375 -6.740 6.088 -3.100 1.00 0.00 O ATOM 179 CB TYR A 375 -6.655 2.912 -3.624 1.00 0.00 C ATOM 180 CG TYR A 375 -6.347 3.329 -5.046 1.00 0.00 C ATOM 181 CD1 TYR A 375 -5.138 3.931 -5.368 1.00 0.00 C ATOM 182 CD2 TYR A 375 -7.268 3.118 -6.066 1.00 0.00 C ATOM 183 CE1 TYR A 375 -4.853 4.311 -6.664 1.00 0.00 C ATOM 184 CE2 TYR A 375 -6.989 3.494 -7.366 1.00 0.00 C ATOM 185 CZ TYR A 375 -5.781 4.091 -7.659 1.00 0.00 C ATOM 186 OH TYR A 375 -5.500 4.469 -8.952 1.00 0.00 O ATOM 0 H TYR A 375 -6.051 2.145 -1.321 1.00 0.00 H new ATOM 0 HA TYR A 375 -5.066 4.142 -2.869 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -6.272 1.905 -3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -7.736 2.867 -3.495 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.408 4.105 -4.591 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -8.216 2.653 -5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -3.908 4.778 -6.897 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -7.713 3.321 -8.148 1.00 0.00 H new ATOM 0 HH TYR A 375 -6.258 4.243 -9.531 1.00 0.00 H new ATOM 196 N SER A 376 -7.942 4.952 -1.574 1.00 0.00 N ATOM 197 CA SER A 376 -8.879 6.038 -1.318 1.00 0.00 C ATOM 198 C SER A 376 -8.223 7.087 -0.420 1.00 0.00 C ATOM 199 O SER A 376 -8.262 8.285 -0.701 1.00 0.00 O ATOM 200 CB SER A 376 -10.157 5.492 -0.666 1.00 0.00 C ATOM 201 OG SER A 376 -10.854 6.511 0.029 1.00 0.00 O ATOM 0 H SER A 376 -8.120 4.108 -1.029 1.00 0.00 H new ATOM 0 HA SER A 376 -9.150 6.507 -2.264 1.00 0.00 H new ATOM 0 HB2 SER A 376 -10.804 5.063 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 376 -9.901 4.687 0.024 1.00 0.00 H new ATOM 0 HG SER A 376 -11.664 6.136 0.433 1.00 0.00 H new ATOM 207 N LEU A 377 -7.625 6.607 0.661 1.00 0.00 N ATOM 208 CA LEU A 377 -6.950 7.450 1.630 1.00 0.00 C ATOM 209 C LEU A 377 -5.771 8.184 1.000 1.00 0.00 C ATOM 210 O LEU A 377 -5.768 9.412 0.910 1.00 0.00 O ATOM 211 CB LEU A 377 -6.469 6.583 2.797 1.00 0.00 C ATOM 212 CG LEU A 377 -7.475 6.424 3.937 1.00 0.00 C ATOM 213 CD1 LEU A 377 -8.802 5.919 3.399 1.00 0.00 C ATOM 214 CD2 LEU A 377 -6.936 5.478 4.999 1.00 0.00 C ATOM 0 H LEU A 377 -7.596 5.613 0.890 1.00 0.00 H new ATOM 0 HA LEU A 377 -7.652 8.202 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -6.215 5.594 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.552 7.015 3.198 1.00 0.00 H new ATOM 0 HG LEU A 377 -7.634 7.399 4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -9.510 5.810 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -9.195 6.631 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -8.655 4.953 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -7.667 5.378 5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.749 4.500 4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -6.005 5.877 5.403 1.00 0.00 H new ATOM 226 N ILE A 378 -4.765 7.425 0.574 1.00 0.00 N ATOM 227 CA ILE A 378 -3.574 8.010 -0.032 1.00 0.00 C ATOM 228 C ILE A 378 -3.599 7.909 -1.554 1.00 0.00 C ATOM 229 O ILE A 378 -3.288 8.874 -2.251 1.00 0.00 O ATOM 230 CB ILE A 378 -2.331 7.264 0.483 1.00 0.00 C ATOM 231 CG1 ILE A 378 -2.125 7.542 1.966 1.00 0.00 C ATOM 232 CG2 ILE A 378 -1.108 7.655 -0.311 1.00 0.00 C ATOM 233 CD1 ILE A 378 -1.016 6.721 2.590 1.00 0.00 C ATOM 0 H ILE A 378 -4.751 6.407 0.637 1.00 0.00 H new ATOM 0 HA ILE A 378 -3.546 9.065 0.242 1.00 0.00 H new ATOM 0 HB ILE A 378 -2.490 6.194 0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 378 -1.902 8.600 2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 378 -3.056 7.342 2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 378 -0.240 7.116 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 378 -1.260 7.404 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 378 -0.940 8.728 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 378 -0.928 6.973 3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 378 -1.247 5.661 2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 378 -0.075 6.938 2.085 1.00 0.00 H new ATOM 245 N GLY A 379 -3.938 6.727 -2.054 1.00 0.00 N ATOM 246 CA GLY A 379 -3.964 6.500 -3.489 1.00 0.00 C ATOM 247 C GLY A 379 -4.289 7.742 -4.295 1.00 0.00 C ATOM 248 O GLY A 379 -5.233 8.469 -3.984 1.00 0.00 O ATOM 0 H GLY A 379 -4.197 5.918 -1.490 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -2.994 6.116 -3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -4.701 5.729 -3.713 1.00 0.00 H new ATOM 252 N TYR A 380 -3.502 7.976 -5.340 1.00 0.00 N ATOM 253 CA TYR A 380 -3.697 9.127 -6.212 1.00 0.00 C ATOM 254 C TYR A 380 -3.109 8.854 -7.592 1.00 0.00 C ATOM 255 O TYR A 380 -2.286 7.954 -7.759 1.00 0.00 O ATOM 256 CB TYR A 380 -3.056 10.379 -5.609 1.00 0.00 C ATOM 257 CG TYR A 380 -3.891 11.023 -4.528 1.00 0.00 C ATOM 258 CD1 TYR A 380 -5.201 11.413 -4.776 1.00 0.00 C ATOM 259 CD2 TYR A 380 -3.370 11.240 -3.260 1.00 0.00 C ATOM 260 CE1 TYR A 380 -5.969 12.001 -3.790 1.00 0.00 C ATOM 261 CE2 TYR A 380 -4.133 11.827 -2.268 1.00 0.00 C ATOM 262 CZ TYR A 380 -5.430 12.206 -2.537 1.00 0.00 C ATOM 263 OH TYR A 380 -6.191 12.792 -1.552 1.00 0.00 O ATOM 0 H TYR A 380 -2.718 7.379 -5.604 1.00 0.00 H new ATOM 0 HA TYR A 380 -4.769 9.299 -6.312 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -2.082 10.116 -5.196 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.880 11.105 -6.402 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -5.626 11.254 -5.756 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -2.353 10.946 -3.045 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -6.986 12.299 -3.999 1.00 0.00 H new ATOM 0 HE2 TYR A 380 -3.714 11.988 -1.286 1.00 0.00 H new ATOM 0 HH TYR A 380 -5.663 12.863 -0.729 1.00 0.00 H new ATOM 273 N ALA A 381 -3.541 9.630 -8.577 1.00 0.00 N ATOM 274 CA ALA A 381 -3.062 9.467 -9.943 1.00 0.00 C ATOM 275 C ALA A 381 -1.556 9.690 -10.035 1.00 0.00 C ATOM 276 O ALA A 381 -0.860 8.993 -10.774 1.00 0.00 O ATOM 277 CB ALA A 381 -3.792 10.413 -10.884 1.00 0.00 C ATOM 0 H ALA A 381 -4.223 10.379 -8.455 1.00 0.00 H new ATOM 0 HA ALA A 381 -3.270 8.441 -10.245 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -3.420 10.276 -11.899 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -4.861 10.200 -10.857 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -3.620 11.443 -10.571 1.00 0.00 H new ATOM 283 N SER A 382 -1.058 10.669 -9.287 1.00 0.00 N ATOM 284 CA SER A 382 0.366 10.988 -9.296 1.00 0.00 C ATOM 285 C SER A 382 1.125 10.189 -8.239 1.00 0.00 C ATOM 286 O SER A 382 2.311 9.897 -8.403 1.00 0.00 O ATOM 287 CB SER A 382 0.571 12.486 -9.060 1.00 0.00 C ATOM 288 OG SER A 382 0.560 12.791 -7.675 1.00 0.00 O ATOM 0 H SER A 382 -1.618 11.255 -8.668 1.00 0.00 H new ATOM 0 HA SER A 382 0.762 10.716 -10.275 1.00 0.00 H new ATOM 0 HB2 SER A 382 1.519 12.800 -9.497 1.00 0.00 H new ATOM 0 HB3 SER A 382 -0.214 13.048 -9.565 1.00 0.00 H new ATOM 0 HG SER A 382 0.695 13.754 -7.551 1.00 0.00 H new ATOM 294 N LEU A 383 0.442 9.843 -7.154 1.00 0.00 N ATOM 295 CA LEU A 383 1.061 9.085 -6.071 1.00 0.00 C ATOM 296 C LEU A 383 1.435 7.675 -6.521 1.00 0.00 C ATOM 297 O LEU A 383 2.192 6.978 -5.846 1.00 0.00 O ATOM 298 CB LEU A 383 0.109 9.008 -4.884 1.00 0.00 C ATOM 299 CG LEU A 383 0.507 8.006 -3.810 1.00 0.00 C ATOM 300 CD1 LEU A 383 0.396 8.631 -2.433 1.00 0.00 C ATOM 301 CD2 LEU A 383 -0.358 6.759 -3.902 1.00 0.00 C ATOM 0 H LEU A 383 -0.539 10.074 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 383 1.975 9.602 -5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 383 0.036 9.996 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -0.885 8.751 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 383 1.546 7.718 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 383 0.684 7.900 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 383 1.056 9.496 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 383 -0.633 8.947 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 383 -0.061 6.052 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 383 -1.404 7.031 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 383 -0.230 6.299 -4.882 1.00 0.00 H new ATOM 313 N ARG A 384 0.903 7.276 -7.670 1.00 0.00 N ATOM 314 CA ARG A 384 1.169 5.959 -8.248 1.00 0.00 C ATOM 315 C ARG A 384 1.566 4.915 -7.205 1.00 0.00 C ATOM 316 O ARG A 384 2.662 4.361 -7.271 1.00 0.00 O ATOM 317 CB ARG A 384 2.275 6.064 -9.296 1.00 0.00 C ATOM 318 CG ARG A 384 2.073 5.143 -10.487 1.00 0.00 C ATOM 319 CD ARG A 384 2.426 3.704 -10.142 1.00 0.00 C ATOM 320 NE ARG A 384 2.807 2.934 -11.322 1.00 0.00 N ATOM 321 CZ ARG A 384 3.923 3.148 -12.012 1.00 0.00 C ATOM 322 NH1 ARG A 384 4.762 4.106 -11.642 1.00 0.00 N ATOM 323 NH2 ARG A 384 4.201 2.404 -13.073 1.00 0.00 N ATOM 0 H ARG A 384 0.275 7.854 -8.229 1.00 0.00 H new ATOM 0 HA ARG A 384 0.236 5.626 -8.703 1.00 0.00 H new ATOM 0 HB2 ARG A 384 2.333 7.094 -9.649 1.00 0.00 H new ATOM 0 HB3 ARG A 384 3.232 5.833 -8.827 1.00 0.00 H new ATOM 0 HG2 ARG A 384 1.036 5.196 -10.818 1.00 0.00 H new ATOM 0 HG3 ARG A 384 2.690 5.481 -11.319 1.00 0.00 H new ATOM 0 HD2 ARG A 384 3.246 3.695 -9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 384 1.573 3.228 -9.659 1.00 0.00 H new ATOM 0 HE ARG A 384 2.182 2.191 -11.634 1.00 0.00 H new ATOM 0 HH11 ARG A 384 4.552 4.681 -10.826 1.00 0.00 H new ATOM 0 HH12 ARG A 384 5.618 4.268 -12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 384 3.558 1.666 -13.361 1.00 0.00 H new ATOM 0 HH22 ARG A 384 5.058 2.569 -13.602 1.00 0.00 H new ATOM 337 N LEU A 385 0.674 4.618 -6.262 1.00 0.00 N ATOM 338 CA LEU A 385 0.965 3.608 -5.256 1.00 0.00 C ATOM 339 C LEU A 385 0.877 2.225 -5.891 1.00 0.00 C ATOM 340 O LEU A 385 0.123 2.024 -6.843 1.00 0.00 O ATOM 341 CB LEU A 385 0.016 3.737 -4.064 1.00 0.00 C ATOM 342 CG LEU A 385 -1.451 3.955 -4.413 1.00 0.00 C ATOM 343 CD1 LEU A 385 -1.876 3.039 -5.551 1.00 0.00 C ATOM 344 CD2 LEU A 385 -2.300 3.714 -3.182 1.00 0.00 C ATOM 0 H LEU A 385 -0.243 5.057 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 385 1.976 3.756 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 385 0.097 2.834 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 385 0.351 4.568 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 385 -1.591 4.983 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -2.927 3.211 -5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.270 3.249 -6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.736 2.000 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -3.350 3.869 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -2.156 2.691 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -2.005 4.408 -2.395 1.00 0.00 H new ATOM 356 N HIS A 386 1.657 1.276 -5.384 1.00 0.00 N ATOM 357 CA HIS A 386 1.661 -0.072 -5.939 1.00 0.00 C ATOM 358 C HIS A 386 2.012 -1.102 -4.873 1.00 0.00 C ATOM 359 O HIS A 386 2.505 -0.759 -3.798 1.00 0.00 O ATOM 360 CB HIS A 386 2.661 -0.159 -7.095 1.00 0.00 C ATOM 361 CG HIS A 386 3.104 -1.556 -7.409 1.00 0.00 C ATOM 362 ND1 HIS A 386 2.591 -2.477 -8.261 1.00 0.00 N flip ATOM 363 CD2 HIS A 386 4.202 -2.152 -6.820 1.00 0.00 C flip ATOM 364 CE1 HIS A 386 3.380 -3.597 -8.172 1.00 0.00 C flip ATOM 365 NE2 HIS A 386 4.344 -3.375 -7.298 1.00 0.00 N flip ATOM 0 H HIS A 386 2.290 1.414 -4.596 1.00 0.00 H new ATOM 0 HA HIS A 386 0.659 -0.290 -6.309 1.00 0.00 H new ATOM 0 HB2 HIS A 386 2.211 0.278 -7.986 1.00 0.00 H new ATOM 0 HB3 HIS A 386 3.536 0.444 -6.852 1.00 0.00 H new ATOM 0 HD1 HIS A 386 1.772 -2.360 -8.857 1.00 0.00 H new ATOM 0 HD2 HIS A 386 4.844 -1.690 -6.084 1.00 0.00 H new ATOM 0 HE1 HIS A 386 3.235 -4.512 -8.727 1.00 0.00 H new ATOM 374 N TYR A 387 1.755 -2.367 -5.183 1.00 0.00 N ATOM 375 CA TYR A 387 2.040 -3.454 -4.259 1.00 0.00 C ATOM 376 C TYR A 387 3.138 -4.358 -4.804 1.00 0.00 C ATOM 377 O TYR A 387 2.981 -4.995 -5.845 1.00 0.00 O ATOM 378 CB TYR A 387 0.764 -4.245 -3.984 1.00 0.00 C ATOM 379 CG TYR A 387 -0.389 -3.350 -3.601 1.00 0.00 C ATOM 380 CD1 TYR A 387 -0.460 -2.797 -2.331 1.00 0.00 C ATOM 381 CD2 TYR A 387 -1.390 -3.037 -4.512 1.00 0.00 C ATOM 382 CE1 TYR A 387 -1.496 -1.957 -1.975 1.00 0.00 C ATOM 383 CE2 TYR A 387 -2.433 -2.200 -4.162 1.00 0.00 C ATOM 384 CZ TYR A 387 -2.480 -1.661 -2.893 1.00 0.00 C ATOM 385 OH TYR A 387 -3.511 -0.821 -2.543 1.00 0.00 O ATOM 0 H TYR A 387 1.349 -2.664 -6.070 1.00 0.00 H new ATOM 0 HA TYR A 387 2.399 -3.033 -3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 387 0.497 -4.820 -4.871 1.00 0.00 H new ATOM 0 HB3 TYR A 387 0.948 -4.961 -3.183 1.00 0.00 H new ATOM 0 HD1 TYR A 387 0.309 -3.028 -1.608 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -1.353 -3.453 -5.508 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -1.535 -1.534 -0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -3.207 -1.969 -4.879 1.00 0.00 H new ATOM 0 HH TYR A 387 -3.825 -0.340 -3.337 1.00 0.00 H new ATOM 395 N VAL A 388 4.253 -4.395 -4.087 1.00 0.00 N ATOM 396 CA VAL A 388 5.397 -5.204 -4.482 1.00 0.00 C ATOM 397 C VAL A 388 5.434 -6.524 -3.722 1.00 0.00 C ATOM 398 O VAL A 388 5.346 -6.545 -2.496 1.00 0.00 O ATOM 399 CB VAL A 388 6.718 -4.450 -4.240 1.00 0.00 C ATOM 400 CG1 VAL A 388 6.709 -3.783 -2.874 1.00 0.00 C ATOM 401 CG2 VAL A 388 7.903 -5.392 -4.371 1.00 0.00 C ATOM 0 H VAL A 388 4.389 -3.870 -3.223 1.00 0.00 H new ATOM 0 HA VAL A 388 5.287 -5.409 -5.547 1.00 0.00 H new ATOM 0 HB VAL A 388 6.815 -3.673 -4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 388 7.650 -3.255 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 388 5.883 -3.074 -2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 388 6.588 -4.541 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 388 8.827 -4.841 -4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 388 7.814 -6.193 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 388 7.919 -5.819 -5.374 1.00 0.00 H new ATOM 411 N THR A 389 5.578 -7.623 -4.456 1.00 0.00 N ATOM 412 CA THR A 389 5.640 -8.945 -3.846 1.00 0.00 C ATOM 413 C THR A 389 7.083 -9.409 -3.699 1.00 0.00 C ATOM 414 O THR A 389 7.764 -9.679 -4.688 1.00 0.00 O ATOM 415 CB THR A 389 4.861 -9.992 -4.666 1.00 0.00 C ATOM 416 OG1 THR A 389 3.468 -9.668 -4.742 1.00 0.00 O ATOM 417 CG2 THR A 389 5.003 -11.376 -4.048 1.00 0.00 C ATOM 0 H THR A 389 5.654 -7.623 -5.473 1.00 0.00 H new ATOM 0 HA THR A 389 5.180 -8.856 -2.862 1.00 0.00 H new ATOM 0 HB THR A 389 5.285 -9.988 -5.670 1.00 0.00 H new ATOM 0 HG1 THR A 389 3.174 -9.706 -5.676 1.00 0.00 H new ATOM 0 HG21 THR A 389 4.445 -12.099 -4.643 1.00 0.00 H new ATOM 0 HG22 THR A 389 6.056 -11.659 -4.026 1.00 0.00 H new ATOM 0 HG23 THR A 389 4.610 -11.363 -3.031 1.00 0.00 H new ATOM 425 N VAL A 390 7.542 -9.508 -2.457 1.00 0.00 N ATOM 426 CA VAL A 390 8.908 -9.949 -2.181 1.00 0.00 C ATOM 427 C VAL A 390 8.975 -11.469 -2.135 1.00 0.00 C ATOM 428 O VAL A 390 9.883 -12.080 -2.697 1.00 0.00 O ATOM 429 CB VAL A 390 9.453 -9.389 -0.849 1.00 0.00 C ATOM 430 CG1 VAL A 390 10.686 -8.534 -1.091 1.00 0.00 C ATOM 431 CG2 VAL A 390 8.390 -8.595 -0.107 1.00 0.00 C ATOM 0 H VAL A 390 6.992 -9.290 -1.626 1.00 0.00 H new ATOM 0 HA VAL A 390 9.527 -9.564 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 390 9.735 -10.236 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 390 11.054 -8.149 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 390 11.461 -9.138 -1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.428 -7.700 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 390 8.805 -8.214 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 390 8.062 -7.760 -0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 390 7.539 -9.241 0.111 1.00 0.00 H new ATOM 441 N LYS A 391 8.001 -12.069 -1.466 1.00 0.00 N ATOM 442 CA LYS A 391 7.937 -13.519 -1.347 1.00 0.00 C ATOM 443 C LYS A 391 6.518 -14.017 -1.614 1.00 0.00 C ATOM 444 O LYS A 391 5.552 -13.267 -1.480 1.00 0.00 O ATOM 445 CB LYS A 391 8.440 -13.966 0.039 1.00 0.00 C ATOM 446 CG LYS A 391 7.377 -14.552 0.958 1.00 0.00 C ATOM 447 CD LYS A 391 7.997 -15.452 2.014 1.00 0.00 C ATOM 448 CE LYS A 391 8.086 -16.892 1.534 1.00 0.00 C ATOM 449 NZ LYS A 391 8.652 -17.791 2.577 1.00 0.00 N ATOM 0 H LYS A 391 7.243 -11.574 -0.997 1.00 0.00 H new ATOM 0 HA LYS A 391 8.590 -13.963 -2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 391 9.226 -14.708 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 391 8.895 -13.109 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 391 6.827 -13.745 1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 391 6.657 -15.121 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 391 8.994 -15.088 2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 391 7.403 -15.407 2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 391 7.093 -17.243 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 391 8.706 -16.939 0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 8.775 -18.746 2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 9.574 -17.424 2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 8.003 -17.833 3.389 1.00 0.00 H new ATOM 463 N LYS A 392 6.406 -15.285 -1.992 1.00 0.00 N ATOM 464 CA LYS A 392 5.108 -15.887 -2.281 1.00 0.00 C ATOM 465 C LYS A 392 5.035 -17.305 -1.730 1.00 0.00 C ATOM 466 O LYS A 392 6.039 -17.863 -1.286 1.00 0.00 O ATOM 467 CB LYS A 392 4.853 -15.909 -3.789 1.00 0.00 C ATOM 468 CG LYS A 392 5.911 -15.180 -4.601 1.00 0.00 C ATOM 469 CD LYS A 392 7.143 -16.044 -4.815 1.00 0.00 C ATOM 470 CE LYS A 392 8.160 -15.355 -5.711 1.00 0.00 C ATOM 471 NZ LYS A 392 8.828 -16.315 -6.632 1.00 0.00 N ATOM 0 H LYS A 392 7.198 -15.917 -2.106 1.00 0.00 H new ATOM 0 HA LYS A 392 4.342 -15.282 -1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 392 4.801 -16.945 -4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 392 3.880 -15.460 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 392 5.495 -14.892 -5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 392 6.195 -14.261 -4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 392 7.600 -16.272 -3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 392 6.849 -16.994 -5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 392 7.664 -14.579 -6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 392 8.911 -14.861 -5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 9.514 -15.806 -7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 9.323 -17.042 -6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 8.115 -16.768 -7.238 1.00 0.00 H new ATOM 485 N PRO A 393 3.839 -17.910 -1.758 1.00 0.00 N ATOM 486 CA PRO A 393 3.635 -19.273 -1.265 1.00 0.00 C ATOM 487 C PRO A 393 4.546 -20.270 -1.969 1.00 0.00 C ATOM 488 O PRO A 393 4.647 -20.273 -3.197 1.00 0.00 O ATOM 489 CB PRO A 393 2.167 -19.563 -1.598 1.00 0.00 C ATOM 490 CG PRO A 393 1.531 -18.222 -1.736 1.00 0.00 C ATOM 491 CD PRO A 393 2.598 -17.313 -2.276 1.00 0.00 C ATOM 0 HA PRO A 393 3.865 -19.364 -0.203 1.00 0.00 H new ATOM 0 HB2 PRO A 393 2.078 -20.139 -2.519 1.00 0.00 H new ATOM 0 HB3 PRO A 393 1.691 -20.146 -0.810 1.00 0.00 H new ATOM 0 HG2 PRO A 393 0.675 -18.263 -2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 393 1.163 -17.864 -0.775 1.00 0.00 H new ATOM 0 HD2 PRO A 393 2.589 -17.284 -3.366 1.00 0.00 H new ATOM 0 HD3 PRO A 393 2.468 -16.288 -1.929 1.00 0.00 H new ATOM 499 N THR A 394 5.208 -21.114 -1.188 1.00 0.00 N ATOM 500 CA THR A 394 6.113 -22.111 -1.741 1.00 0.00 C ATOM 501 C THR A 394 6.083 -23.394 -0.919 1.00 0.00 C ATOM 502 O THR A 394 5.829 -23.366 0.284 1.00 0.00 O ATOM 503 CB THR A 394 7.556 -21.580 -1.803 1.00 0.00 C ATOM 504 OG1 THR A 394 8.159 -21.553 -0.503 1.00 0.00 O ATOM 505 CG2 THR A 394 7.590 -20.172 -2.379 1.00 0.00 C ATOM 0 H THR A 394 5.135 -21.127 -0.171 1.00 0.00 H new ATOM 0 HA THR A 394 5.772 -22.328 -2.753 1.00 0.00 H new ATOM 0 HB THR A 394 8.116 -22.258 -2.447 1.00 0.00 H new ATOM 0 HG1 THR A 394 7.546 -21.129 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 394 8.620 -19.818 -2.413 1.00 0.00 H new ATOM 0 HG22 THR A 394 7.176 -20.181 -3.387 1.00 0.00 H new ATOM 0 HG23 THR A 394 6.998 -19.507 -1.750 1.00 0.00 H new ATOM 513 N ALA A 395 6.343 -24.518 -1.578 1.00 0.00 N ATOM 514 CA ALA A 395 6.346 -25.812 -0.908 1.00 0.00 C ATOM 515 C ALA A 395 7.053 -25.726 0.438 1.00 0.00 C ATOM 516 O ALA A 395 6.533 -26.184 1.456 1.00 0.00 O ATOM 517 CB ALA A 395 7.000 -26.872 -1.780 1.00 0.00 C ATOM 0 H ALA A 395 6.554 -24.558 -2.575 1.00 0.00 H new ATOM 0 HA ALA A 395 5.309 -26.099 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 395 6.990 -27.829 -1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 395 6.449 -26.963 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 395 8.030 -26.585 -1.991 1.00 0.00 H new ATOM 523 N VAL A 396 8.239 -25.134 0.434 1.00 0.00 N ATOM 524 CA VAL A 396 9.023 -24.982 1.647 1.00 0.00 C ATOM 525 C VAL A 396 8.313 -24.081 2.650 1.00 0.00 C ATOM 526 O VAL A 396 8.301 -24.355 3.851 1.00 0.00 O ATOM 527 CB VAL A 396 10.415 -24.399 1.333 1.00 0.00 C ATOM 528 CG1 VAL A 396 10.985 -25.036 0.076 1.00 0.00 C ATOM 529 CG2 VAL A 396 10.349 -22.884 1.183 1.00 0.00 C ATOM 0 H VAL A 396 8.680 -24.750 -0.402 1.00 0.00 H new ATOM 0 HA VAL A 396 9.141 -25.974 2.084 1.00 0.00 H new ATOM 0 HB VAL A 396 11.077 -24.627 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 396 11.968 -24.614 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 396 11.076 -26.112 0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 396 10.320 -24.839 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 396 11.344 -22.497 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 396 9.671 -22.628 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 396 9.986 -22.442 2.111 1.00 0.00 H new ATOM 539 N ASP A 397 7.729 -23.000 2.147 1.00 0.00 N ATOM 540 CA ASP A 397 7.021 -22.050 2.994 1.00 0.00 C ATOM 541 C ASP A 397 5.882 -21.376 2.231 1.00 0.00 C ATOM 542 O ASP A 397 6.116 -20.534 1.364 1.00 0.00 O ATOM 543 CB ASP A 397 7.989 -20.993 3.528 1.00 0.00 C ATOM 544 CG ASP A 397 8.611 -21.394 4.851 1.00 0.00 C ATOM 545 OD1 ASP A 397 8.039 -22.271 5.533 1.00 0.00 O ATOM 546 OD2 ASP A 397 9.668 -20.832 5.205 1.00 0.00 O ATOM 0 H ASP A 397 7.732 -22.760 1.156 1.00 0.00 H new ATOM 0 HA ASP A 397 6.593 -22.600 3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 397 8.778 -20.824 2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 397 7.459 -20.048 3.650 1.00 0.00 H new ATOM 551 N PRO A 398 4.632 -21.742 2.550 1.00 0.00 N ATOM 552 CA PRO A 398 3.448 -21.175 1.898 1.00 0.00 C ATOM 553 C PRO A 398 3.135 -19.764 2.388 1.00 0.00 C ATOM 554 O PRO A 398 2.001 -19.463 2.757 1.00 0.00 O ATOM 555 CB PRO A 398 2.334 -22.139 2.302 1.00 0.00 C ATOM 556 CG PRO A 398 2.771 -22.697 3.612 1.00 0.00 C ATOM 557 CD PRO A 398 4.277 -22.740 3.575 1.00 0.00 C ATOM 0 HA PRO A 398 3.580 -21.077 0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.378 -21.624 2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.204 -22.927 1.560 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.420 -22.075 4.436 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.358 -23.694 3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 398 4.708 -22.489 4.544 1.00 0.00 H new ATOM 0 HD3 PRO A 398 4.643 -23.732 3.311 1.00 0.00 H new ATOM 565 N ASN A 399 4.148 -18.903 2.389 1.00 0.00 N ATOM 566 CA ASN A 399 3.977 -17.526 2.837 1.00 0.00 C ATOM 567 C ASN A 399 4.341 -16.538 1.733 1.00 0.00 C ATOM 568 O ASN A 399 5.075 -16.869 0.803 1.00 0.00 O ATOM 569 CB ASN A 399 4.834 -17.259 4.076 1.00 0.00 C ATOM 570 CG ASN A 399 4.744 -18.378 5.095 1.00 0.00 C ATOM 571 OD1 ASN A 399 3.537 -18.892 5.305 1.00 0.00 O flip ATOM 572 ND2 ASN A 399 5.747 -18.776 5.687 1.00 0.00 N flip ATOM 0 H ASN A 399 5.094 -19.134 2.085 1.00 0.00 H new ATOM 0 HA ASN A 399 2.926 -17.386 3.091 1.00 0.00 H new ATOM 0 HB2 ASN A 399 5.873 -17.129 3.774 1.00 0.00 H new ATOM 0 HB3 ASN A 399 4.517 -16.324 4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 399 6.655 -18.352 5.494 1.00 0.00 H new ATOM 0 HD22 ASN A 399 5.671 -19.530 6.370 1.00 0.00 H new ATOM 579 N SER A 400 3.823 -15.320 1.852 1.00 0.00 N ATOM 580 CA SER A 400 4.086 -14.270 0.873 1.00 0.00 C ATOM 581 C SER A 400 4.379 -12.947 1.574 1.00 0.00 C ATOM 582 O SER A 400 3.842 -12.671 2.645 1.00 0.00 O ATOM 583 CB SER A 400 2.887 -14.106 -0.064 1.00 0.00 C ATOM 584 OG SER A 400 3.243 -13.385 -1.230 1.00 0.00 O ATOM 0 H SER A 400 3.216 -15.034 2.620 1.00 0.00 H new ATOM 0 HA SER A 400 4.959 -14.558 0.287 1.00 0.00 H new ATOM 0 HB2 SER A 400 2.503 -15.087 -0.343 1.00 0.00 H new ATOM 0 HB3 SER A 400 2.083 -13.586 0.457 1.00 0.00 H new ATOM 0 HG SER A 400 4.174 -13.088 -1.159 1.00 0.00 H new ATOM 590 N ILE A 401 5.220 -12.120 0.956 1.00 0.00 N ATOM 591 CA ILE A 401 5.557 -10.820 1.520 1.00 0.00 C ATOM 592 C ILE A 401 5.203 -9.713 0.538 1.00 0.00 C ATOM 593 O ILE A 401 5.289 -9.897 -0.676 1.00 0.00 O ATOM 594 CB ILE A 401 7.048 -10.712 1.897 1.00 0.00 C ATOM 595 CG1 ILE A 401 7.404 -11.747 2.964 1.00 0.00 C ATOM 596 CG2 ILE A 401 7.363 -9.311 2.400 1.00 0.00 C ATOM 597 CD1 ILE A 401 8.821 -12.266 2.853 1.00 0.00 C ATOM 0 H ILE A 401 5.678 -12.328 0.068 1.00 0.00 H new ATOM 0 HA ILE A 401 4.973 -10.710 2.434 1.00 0.00 H new ATOM 0 HB ILE A 401 7.646 -10.909 1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 401 7.264 -11.304 3.950 1.00 0.00 H new ATOM 0 HG13 ILE A 401 6.712 -12.586 2.891 1.00 0.00 H new ATOM 0 HG21 ILE A 401 8.419 -9.248 2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 401 7.140 -8.585 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 401 6.756 -9.095 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 401 9.004 -12.996 3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 401 8.960 -12.739 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 401 9.521 -11.437 2.957 1.00 0.00 H new ATOM 609 N VAL A 402 4.804 -8.566 1.066 1.00 0.00 N ATOM 610 CA VAL A 402 4.437 -7.445 0.213 1.00 0.00 C ATOM 611 C VAL A 402 4.773 -6.091 0.825 1.00 0.00 C ATOM 612 O VAL A 402 4.724 -5.907 2.040 1.00 0.00 O ATOM 613 CB VAL A 402 2.940 -7.475 -0.141 1.00 0.00 C ATOM 614 CG1 VAL A 402 2.541 -6.207 -0.879 1.00 0.00 C ATOM 615 CG2 VAL A 402 2.614 -8.710 -0.967 1.00 0.00 C ATOM 0 H VAL A 402 4.726 -8.387 2.067 1.00 0.00 H new ATOM 0 HA VAL A 402 5.034 -7.563 -0.691 1.00 0.00 H new ATOM 0 HB VAL A 402 2.365 -7.523 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.479 -6.246 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 402 2.738 -5.341 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 402 3.120 -6.124 -1.799 1.00 0.00 H new ATOM 0 HG21 VAL A 402 1.551 -8.716 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 402 3.196 -8.695 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 402 2.861 -9.605 -0.396 1.00 0.00 H new ATOM 625 N GLU A 403 5.079 -5.144 -0.051 1.00 0.00 N ATOM 626 CA GLU A 403 5.388 -3.777 0.344 1.00 0.00 C ATOM 627 C GLU A 403 4.606 -2.825 -0.553 1.00 0.00 C ATOM 628 O GLU A 403 4.451 -3.091 -1.743 1.00 0.00 O ATOM 629 CB GLU A 403 6.891 -3.505 0.235 1.00 0.00 C ATOM 630 CG GLU A 403 7.743 -4.763 0.293 1.00 0.00 C ATOM 631 CD GLU A 403 9.144 -4.540 -0.244 1.00 0.00 C ATOM 632 OE1 GLU A 403 9.330 -4.642 -1.475 1.00 0.00 O ATOM 633 OE2 GLU A 403 10.053 -4.261 0.565 1.00 0.00 O ATOM 0 H GLU A 403 5.120 -5.303 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 403 5.102 -3.624 1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 403 7.090 -2.984 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 403 7.190 -2.836 1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 403 7.804 -5.110 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 403 7.259 -5.553 -0.281 1.00 0.00 H new ATOM 640 N CYS A 404 4.085 -1.736 0.002 1.00 0.00 N ATOM 641 CA CYS A 404 3.304 -0.811 -0.801 1.00 0.00 C ATOM 642 C CYS A 404 4.110 0.413 -1.222 1.00 0.00 C ATOM 643 O CYS A 404 4.243 1.370 -0.459 1.00 0.00 O ATOM 644 CB CYS A 404 2.083 -0.354 -0.008 1.00 0.00 C ATOM 645 SG CYS A 404 0.915 -1.675 0.391 1.00 0.00 S ATOM 0 H CYS A 404 4.187 -1.478 0.984 1.00 0.00 H new ATOM 0 HA CYS A 404 3.002 -1.340 -1.705 1.00 0.00 H new ATOM 0 HB2 CYS A 404 2.420 0.109 0.919 1.00 0.00 H new ATOM 0 HB3 CYS A 404 1.562 0.415 -0.578 1.00 0.00 H new ATOM 0 HG CYS A 404 0.033 -1.776 -0.559 1.00 0.00 H new ATOM 651 N ARG A 405 4.647 0.376 -2.438 1.00 0.00 N ATOM 652 CA ARG A 405 5.440 1.482 -2.958 1.00 0.00 C ATOM 653 C ARG A 405 4.548 2.553 -3.578 1.00 0.00 C ATOM 654 O ARG A 405 3.320 2.457 -3.537 1.00 0.00 O ATOM 655 CB ARG A 405 6.438 0.973 -4.000 1.00 0.00 C ATOM 656 CG ARG A 405 6.684 -0.526 -3.928 1.00 0.00 C ATOM 657 CD ARG A 405 8.154 -0.857 -4.129 1.00 0.00 C ATOM 658 NE ARG A 405 8.430 -1.311 -5.491 1.00 0.00 N ATOM 659 CZ ARG A 405 9.655 -1.453 -5.985 1.00 0.00 C ATOM 660 NH1 ARG A 405 10.712 -1.190 -5.228 1.00 0.00 N ATOM 661 NH2 ARG A 405 9.824 -1.861 -7.235 1.00 0.00 N ATOM 0 H ARG A 405 4.547 -0.409 -3.081 1.00 0.00 H new ATOM 0 HA ARG A 405 5.984 1.927 -2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 405 6.071 1.225 -4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 405 7.386 1.495 -3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 405 6.353 -0.904 -2.961 1.00 0.00 H new ATOM 0 HG3 ARG A 405 6.088 -1.031 -4.689 1.00 0.00 H new ATOM 0 HD2 ARG A 405 8.757 0.024 -3.911 1.00 0.00 H new ATOM 0 HD3 ARG A 405 8.452 -1.631 -3.421 1.00 0.00 H new ATOM 0 HE ARG A 405 7.638 -1.531 -6.095 1.00 0.00 H new ATOM 0 HH11 ARG A 405 10.585 -0.878 -4.265 1.00 0.00 H new ATOM 0 HH12 ARG A 405 11.652 -1.300 -5.609 1.00 0.00 H new ATOM 0 HH21 ARG A 405 9.013 -2.066 -7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 405 10.765 -1.970 -7.613 1.00 0.00 H new ATOM 675 N VAL A 406 5.178 3.567 -4.160 1.00 0.00 N ATOM 676 CA VAL A 406 4.445 4.656 -4.794 1.00 0.00 C ATOM 677 C VAL A 406 5.255 5.306 -5.912 1.00 0.00 C ATOM 678 O VAL A 406 6.426 4.987 -6.109 1.00 0.00 O ATOM 679 CB VAL A 406 4.034 5.730 -3.767 1.00 0.00 C ATOM 680 CG1 VAL A 406 2.563 5.586 -3.409 1.00 0.00 C ATOM 681 CG2 VAL A 406 4.901 5.638 -2.518 1.00 0.00 C ATOM 0 H VAL A 406 6.193 3.658 -4.206 1.00 0.00 H new ATOM 0 HA VAL A 406 3.546 4.216 -5.226 1.00 0.00 H new ATOM 0 HB VAL A 406 4.186 6.712 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 406 2.289 6.351 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 406 1.957 5.704 -4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 406 2.388 4.599 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 406 4.595 6.404 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 406 4.783 4.654 -2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 406 5.946 5.790 -2.788 1.00 0.00 H new ATOM 691 N GLY A 407 4.614 6.211 -6.649 1.00 0.00 N ATOM 692 CA GLY A 407 5.283 6.888 -7.746 1.00 0.00 C ATOM 693 C GLY A 407 6.676 7.356 -7.381 1.00 0.00 C ATOM 694 O GLY A 407 7.613 7.210 -8.165 1.00 0.00 O ATOM 0 H GLY A 407 3.643 6.487 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 407 5.343 6.214 -8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 407 4.686 7.745 -8.057 1.00 0.00 H new ATOM 698 N ASP A 408 6.812 7.917 -6.187 1.00 0.00 N ATOM 699 CA ASP A 408 8.101 8.407 -5.716 1.00 0.00 C ATOM 700 C ASP A 408 9.056 7.245 -5.460 1.00 0.00 C ATOM 701 O ASP A 408 10.258 7.440 -5.280 1.00 0.00 O ATOM 702 CB ASP A 408 7.922 9.225 -4.436 1.00 0.00 C ATOM 703 CG ASP A 408 9.004 10.273 -4.261 1.00 0.00 C ATOM 704 OD1 ASP A 408 9.785 10.486 -5.212 1.00 0.00 O ATOM 705 OD2 ASP A 408 9.069 10.884 -3.173 1.00 0.00 O ATOM 0 H ASP A 408 6.045 8.044 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 408 8.527 9.046 -6.489 1.00 0.00 H new ATOM 0 HB2 ASP A 408 6.947 9.713 -4.454 1.00 0.00 H new ATOM 0 HB3 ASP A 408 7.927 8.555 -3.576 1.00 0.00 H new ATOM 710 N GLY A 409 8.507 6.033 -5.445 1.00 0.00 N ATOM 711 CA GLY A 409 9.316 4.853 -5.211 1.00 0.00 C ATOM 712 C GLY A 409 9.597 4.633 -3.739 1.00 0.00 C ATOM 713 O GLY A 409 10.570 3.970 -3.379 1.00 0.00 O ATOM 0 H GLY A 409 7.514 5.849 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 409 8.806 3.979 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 409 10.259 4.949 -5.749 1.00 0.00 H new ATOM 717 N THR A 410 8.745 5.193 -2.887 1.00 0.00 N ATOM 718 CA THR A 410 8.909 5.055 -1.446 1.00 0.00 C ATOM 719 C THR A 410 7.952 4.014 -0.877 1.00 0.00 C ATOM 720 O THR A 410 6.747 4.069 -1.121 1.00 0.00 O ATOM 721 CB THR A 410 8.674 6.396 -0.724 1.00 0.00 C ATOM 722 OG1 THR A 410 9.226 7.493 -1.462 1.00 0.00 O ATOM 723 CG2 THR A 410 9.303 6.382 0.661 1.00 0.00 C ATOM 0 H THR A 410 7.936 5.746 -3.169 1.00 0.00 H new ATOM 0 HA THR A 410 9.936 4.731 -1.277 1.00 0.00 H new ATOM 0 HB THR A 410 7.595 6.525 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 410 9.059 8.329 -0.979 1.00 0.00 H new ATOM 0 HG21 THR A 410 9.124 7.339 1.151 1.00 0.00 H new ATOM 0 HG22 THR A 410 8.860 5.582 1.254 1.00 0.00 H new ATOM 0 HG23 THR A 410 10.376 6.215 0.571 1.00 0.00 H new ATOM 731 N VAL A 411 8.493 3.076 -0.108 1.00 0.00 N ATOM 732 CA VAL A 411 7.676 2.039 0.506 1.00 0.00 C ATOM 733 C VAL A 411 6.782 2.645 1.581 1.00 0.00 C ATOM 734 O VAL A 411 7.236 2.923 2.691 1.00 0.00 O ATOM 735 CB VAL A 411 8.546 0.933 1.134 1.00 0.00 C ATOM 736 CG1 VAL A 411 7.727 -0.326 1.363 1.00 0.00 C ATOM 737 CG2 VAL A 411 9.753 0.641 0.255 1.00 0.00 C ATOM 0 H VAL A 411 9.489 3.013 0.104 1.00 0.00 H new ATOM 0 HA VAL A 411 7.064 1.594 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 411 8.906 1.284 2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 411 8.359 -1.095 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 411 6.899 -0.104 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 411 7.335 -0.683 0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 411 10.356 -0.142 0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 411 9.416 0.311 -0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 411 10.353 1.545 0.148 1.00 0.00 H new ATOM 747 N LEU A 412 5.517 2.866 1.243 1.00 0.00 N ATOM 748 CA LEU A 412 4.578 3.458 2.176 1.00 0.00 C ATOM 749 C LEU A 412 4.028 2.409 3.133 1.00 0.00 C ATOM 750 O LEU A 412 3.729 2.712 4.287 1.00 0.00 O ATOM 751 CB LEU A 412 3.448 4.154 1.401 1.00 0.00 C ATOM 752 CG LEU A 412 2.018 3.740 1.756 1.00 0.00 C ATOM 753 CD1 LEU A 412 1.518 4.517 2.963 1.00 0.00 C ATOM 754 CD2 LEU A 412 1.102 3.973 0.567 1.00 0.00 C ATOM 0 H LEU A 412 5.122 2.643 0.329 1.00 0.00 H new ATOM 0 HA LEU A 412 5.098 4.204 2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 412 3.540 5.229 1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 412 3.602 3.971 0.337 1.00 0.00 H new ATOM 0 HG LEU A 412 2.015 2.679 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 412 0.500 4.208 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 412 2.165 4.318 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 412 1.531 5.584 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 412 0.086 3.676 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 412 1.114 5.030 0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 412 1.448 3.381 -0.280 1.00 0.00 H new ATOM 766 N GLY A 413 3.897 1.172 2.654 1.00 0.00 N ATOM 767 CA GLY A 413 3.378 0.110 3.494 1.00 0.00 C ATOM 768 C GLY A 413 4.119 -1.199 3.331 1.00 0.00 C ATOM 769 O GLY A 413 4.987 -1.335 2.470 1.00 0.00 O ATOM 0 H GLY A 413 4.140 0.890 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 413 3.432 0.422 4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 413 2.325 -0.046 3.262 1.00 0.00 H new ATOM 773 N THR A 414 3.760 -2.165 4.165 1.00 0.00 N ATOM 774 CA THR A 414 4.365 -3.486 4.131 1.00 0.00 C ATOM 775 C THR A 414 3.472 -4.478 4.861 1.00 0.00 C ATOM 776 O THR A 414 2.885 -4.147 5.891 1.00 0.00 O ATOM 777 CB THR A 414 5.764 -3.494 4.776 1.00 0.00 C ATOM 778 OG1 THR A 414 6.710 -2.758 3.990 1.00 0.00 O ATOM 779 CG2 THR A 414 6.277 -4.918 4.939 1.00 0.00 C ATOM 0 H THR A 414 3.043 -2.054 4.882 1.00 0.00 H new ATOM 0 HA THR A 414 4.473 -3.772 3.085 1.00 0.00 H new ATOM 0 HB THR A 414 5.663 -3.021 5.753 1.00 0.00 H new ATOM 0 HG1 THR A 414 6.241 -2.285 3.271 1.00 0.00 H new ATOM 0 HG21 THR A 414 7.266 -4.898 5.396 1.00 0.00 H new ATOM 0 HG22 THR A 414 5.594 -5.480 5.576 1.00 0.00 H new ATOM 0 HG23 THR A 414 6.339 -5.397 3.962 1.00 0.00 H new ATOM 787 N GLY A 415 3.361 -5.690 4.335 1.00 0.00 N ATOM 788 CA GLY A 415 2.525 -6.682 4.974 1.00 0.00 C ATOM 789 C GLY A 415 2.742 -8.078 4.430 1.00 0.00 C ATOM 790 O GLY A 415 2.930 -8.265 3.228 1.00 0.00 O ATOM 0 H GLY A 415 3.831 -6.001 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 415 2.724 -6.681 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 415 1.479 -6.406 4.844 1.00 0.00 H new ATOM 794 N VAL A 416 2.704 -9.058 5.323 1.00 0.00 N ATOM 795 CA VAL A 416 2.884 -10.447 4.944 1.00 0.00 C ATOM 796 C VAL A 416 1.567 -11.205 5.089 1.00 0.00 C ATOM 797 O VAL A 416 0.785 -10.940 6.000 1.00 0.00 O ATOM 798 CB VAL A 416 3.981 -11.117 5.808 1.00 0.00 C ATOM 799 CG1 VAL A 416 3.728 -12.609 5.975 1.00 0.00 C ATOM 800 CG2 VAL A 416 5.355 -10.873 5.205 1.00 0.00 C ATOM 0 H VAL A 416 2.549 -8.912 6.320 1.00 0.00 H new ATOM 0 HA VAL A 416 3.202 -10.479 3.902 1.00 0.00 H new ATOM 0 HB VAL A 416 3.947 -10.663 6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 416 4.517 -13.046 6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 416 2.765 -12.762 6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 416 3.720 -13.089 4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 416 6.114 -11.350 5.824 1.00 0.00 H new ATOM 0 HG22 VAL A 416 5.391 -11.292 4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.547 -9.801 5.158 1.00 0.00 H new ATOM 810 N GLY A 417 1.336 -12.155 4.193 1.00 0.00 N ATOM 811 CA GLY A 417 0.122 -12.944 4.249 1.00 0.00 C ATOM 812 C GLY A 417 0.274 -14.257 3.512 1.00 0.00 C ATOM 813 O GLY A 417 1.216 -14.435 2.741 1.00 0.00 O ATOM 0 H GLY A 417 1.968 -12.393 3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 417 -0.138 -13.139 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 417 -0.701 -12.376 3.815 1.00 0.00 H new ATOM 817 N ARG A 418 -0.646 -15.182 3.747 1.00 0.00 N ATOM 818 CA ARG A 418 -0.593 -16.482 3.095 1.00 0.00 C ATOM 819 C ARG A 418 -0.217 -16.328 1.627 1.00 0.00 C ATOM 820 O ARG A 418 0.578 -17.101 1.093 1.00 0.00 O ATOM 821 CB ARG A 418 -1.940 -17.186 3.213 1.00 0.00 C ATOM 822 CG ARG A 418 -3.114 -16.303 2.837 1.00 0.00 C ATOM 823 CD ARG A 418 -4.276 -16.486 3.799 1.00 0.00 C ATOM 824 NE ARG A 418 -4.666 -17.887 3.929 1.00 0.00 N ATOM 825 CZ ARG A 418 -5.337 -18.368 4.970 1.00 0.00 C ATOM 826 NH1 ARG A 418 -5.691 -17.559 5.960 1.00 0.00 N ATOM 827 NH2 ARG A 418 -5.656 -19.653 5.022 1.00 0.00 N ATOM 0 H ARG A 418 -1.435 -15.057 4.382 1.00 0.00 H new ATOM 0 HA ARG A 418 0.168 -17.084 3.591 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -1.938 -18.068 2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -2.071 -17.536 4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 418 -2.801 -15.259 2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -3.438 -16.538 1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 418 -4.000 -16.095 4.778 1.00 0.00 H new ATOM 0 HD3 ARG A 418 -5.129 -15.903 3.451 1.00 0.00 H new ATOM 0 HE ARG A 418 -4.410 -18.531 3.181 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -5.448 -16.569 5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -6.206 -17.927 6.760 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -5.386 -20.277 4.261 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -6.171 -20.019 5.823 1.00 0.00 H new ATOM 841 N ASN A 419 -0.794 -15.321 0.986 1.00 0.00 N ATOM 842 CA ASN A 419 -0.524 -15.053 -0.419 1.00 0.00 C ATOM 843 C ASN A 419 -0.241 -13.572 -0.640 1.00 0.00 C ATOM 844 O ASN A 419 -0.394 -12.758 0.270 1.00 0.00 O ATOM 845 CB ASN A 419 -1.709 -15.490 -1.281 1.00 0.00 C ATOM 846 CG ASN A 419 -1.384 -16.690 -2.147 1.00 0.00 C ATOM 847 OD1 ASN A 419 -1.347 -17.869 -1.537 1.00 0.00 O flip ATOM 848 ND2 ASN A 419 -1.168 -16.560 -3.353 1.00 0.00 N flip ATOM 0 H ASN A 419 -1.454 -14.675 1.419 1.00 0.00 H new ATOM 0 HA ASN A 419 0.357 -15.624 -0.711 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -2.555 -15.729 -0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -2.018 -14.660 -1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -1.207 -15.635 -3.781 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -0.950 -17.377 -3.923 1.00 0.00 H new ATOM 855 N ILE A 420 0.170 -13.228 -1.855 1.00 0.00 N ATOM 856 CA ILE A 420 0.471 -11.843 -2.195 1.00 0.00 C ATOM 857 C ILE A 420 -0.715 -10.935 -1.894 1.00 0.00 C ATOM 858 O ILE A 420 -0.567 -9.718 -1.783 1.00 0.00 O ATOM 859 CB ILE A 420 0.851 -11.700 -3.681 1.00 0.00 C ATOM 860 CG1 ILE A 420 2.248 -12.272 -3.926 1.00 0.00 C ATOM 861 CG2 ILE A 420 0.781 -10.243 -4.112 1.00 0.00 C ATOM 862 CD1 ILE A 420 2.234 -13.685 -4.463 1.00 0.00 C ATOM 0 H ILE A 420 0.302 -13.889 -2.621 1.00 0.00 H new ATOM 0 HA ILE A 420 1.320 -11.542 -1.581 1.00 0.00 H new ATOM 0 HB ILE A 420 0.137 -12.265 -4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 420 2.777 -11.629 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 420 2.809 -12.252 -2.992 1.00 0.00 H new ATOM 0 HG21 ILE A 420 1.053 -10.161 -5.164 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.233 -9.870 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 420 1.473 -9.652 -3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 420 3.258 -14.027 -4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 420 1.733 -14.340 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.701 -13.708 -5.413 1.00 0.00 H new ATOM 874 N LYS A 421 -1.891 -11.534 -1.755 1.00 0.00 N ATOM 875 CA LYS A 421 -3.086 -10.772 -1.460 1.00 0.00 C ATOM 876 C LYS A 421 -3.130 -10.413 0.014 1.00 0.00 C ATOM 877 O LYS A 421 -3.163 -9.240 0.373 1.00 0.00 O ATOM 878 CB LYS A 421 -4.328 -11.562 -1.846 1.00 0.00 C ATOM 879 CG LYS A 421 -5.613 -10.894 -1.420 1.00 0.00 C ATOM 880 CD LYS A 421 -5.527 -9.387 -1.582 1.00 0.00 C ATOM 881 CE LYS A 421 -5.363 -9.001 -3.040 1.00 0.00 C ATOM 882 NZ LYS A 421 -6.653 -8.587 -3.657 1.00 0.00 N ATOM 0 H LYS A 421 -2.037 -12.540 -1.842 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.064 -9.852 -2.044 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.340 -11.703 -2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.275 -12.553 -1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.441 -11.280 -2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.826 -11.139 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.427 -8.923 -1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -4.686 -9.004 -1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -4.645 -8.185 -3.120 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -4.951 -9.844 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -6.495 -8.332 -4.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.331 -9.374 -3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -7.035 -7.766 -3.145 1.00 0.00 H new ATOM 896 N ILE A 422 -3.116 -11.421 0.865 1.00 0.00 N ATOM 897 CA ILE A 422 -3.142 -11.188 2.297 1.00 0.00 C ATOM 898 C ILE A 422 -2.013 -10.261 2.688 1.00 0.00 C ATOM 899 O ILE A 422 -2.171 -9.402 3.556 1.00 0.00 O ATOM 900 CB ILE A 422 -3.046 -12.503 3.074 1.00 0.00 C ATOM 901 CG1 ILE A 422 -4.241 -13.397 2.733 1.00 0.00 C ATOM 902 CG2 ILE A 422 -2.983 -12.243 4.572 1.00 0.00 C ATOM 903 CD1 ILE A 422 -5.473 -12.644 2.246 1.00 0.00 C ATOM 0 H ILE A 422 -3.087 -12.403 0.592 1.00 0.00 H new ATOM 0 HA ILE A 422 -4.093 -10.720 2.551 1.00 0.00 H new ATOM 0 HB ILE A 422 -2.128 -13.014 2.783 1.00 0.00 H new ATOM 0 HG12 ILE A 422 -3.939 -14.109 1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 422 -4.510 -13.976 3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 422 -2.915 -13.192 5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 422 -2.106 -11.636 4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 422 -3.882 -11.714 4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -6.271 -13.354 2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -5.805 -11.951 3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -5.225 -12.087 1.342 1.00 0.00 H new ATOM 915 N ALA A 423 -0.885 -10.408 2.011 1.00 0.00 N ATOM 916 CA ALA A 423 0.244 -9.543 2.263 1.00 0.00 C ATOM 917 C ALA A 423 -0.103 -8.152 1.759 1.00 0.00 C ATOM 918 O ALA A 423 -0.020 -7.169 2.492 1.00 0.00 O ATOM 919 CB ALA A 423 1.508 -10.062 1.592 1.00 0.00 C ATOM 0 H ALA A 423 -0.733 -11.113 1.290 1.00 0.00 H new ATOM 0 HA ALA A 423 0.447 -9.515 3.334 1.00 0.00 H new ATOM 0 HB1 ALA A 423 2.336 -9.386 1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 423 1.743 -11.055 1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 423 1.351 -10.118 0.515 1.00 0.00 H new ATOM 925 N GLY A 424 -0.523 -8.093 0.497 1.00 0.00 N ATOM 926 CA GLY A 424 -0.918 -6.833 -0.101 1.00 0.00 C ATOM 927 C GLY A 424 -1.996 -6.154 0.717 1.00 0.00 C ATOM 928 O GLY A 424 -1.905 -4.962 1.009 1.00 0.00 O ATOM 0 H GLY A 424 -0.596 -8.900 -0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -0.051 -6.177 -0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -1.281 -7.006 -1.114 1.00 0.00 H new ATOM 932 N ILE A 425 -3.008 -6.925 1.114 1.00 0.00 N ATOM 933 CA ILE A 425 -4.086 -6.392 1.935 1.00 0.00 C ATOM 934 C ILE A 425 -3.497 -5.769 3.191 1.00 0.00 C ATOM 935 O ILE A 425 -3.613 -4.568 3.431 1.00 0.00 O ATOM 936 CB ILE A 425 -5.068 -7.498 2.370 1.00 0.00 C ATOM 937 CG1 ILE A 425 -5.834 -8.058 1.175 1.00 0.00 C ATOM 938 CG2 ILE A 425 -6.033 -6.968 3.421 1.00 0.00 C ATOM 939 CD1 ILE A 425 -6.082 -9.545 1.276 1.00 0.00 C ATOM 0 H ILE A 425 -3.101 -7.914 0.881 1.00 0.00 H new ATOM 0 HA ILE A 425 -4.623 -5.654 1.339 1.00 0.00 H new ATOM 0 HB ILE A 425 -4.487 -8.311 2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -6.790 -7.541 1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -5.275 -7.850 0.263 1.00 0.00 H new ATOM 0 HG21 ILE A 425 -6.720 -7.761 3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 425 -5.472 -6.629 4.292 1.00 0.00 H new ATOM 0 HG23 ILE A 425 -6.599 -6.134 3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -6.631 -9.883 0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -5.128 -10.070 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 425 -6.666 -9.756 2.172 1.00 0.00 H new ATOM 951 N ARG A 426 -2.862 -6.623 3.986 1.00 0.00 N ATOM 952 CA ARG A 426 -2.235 -6.213 5.235 1.00 0.00 C ATOM 953 C ARG A 426 -1.324 -5.007 5.036 1.00 0.00 C ATOM 954 O ARG A 426 -1.265 -4.121 5.883 1.00 0.00 O ATOM 955 CB ARG A 426 -1.438 -7.379 5.812 1.00 0.00 C ATOM 956 CG ARG A 426 -1.610 -7.555 7.311 1.00 0.00 C ATOM 957 CD ARG A 426 -0.407 -7.024 8.073 1.00 0.00 C ATOM 958 NE ARG A 426 0.498 -8.093 8.483 1.00 0.00 N ATOM 959 CZ ARG A 426 1.741 -7.882 8.900 1.00 0.00 C ATOM 960 NH1 ARG A 426 2.219 -6.647 8.963 1.00 0.00 N ATOM 961 NH2 ARG A 426 2.507 -8.904 9.257 1.00 0.00 N ATOM 0 H ARG A 426 -2.768 -7.618 3.782 1.00 0.00 H new ATOM 0 HA ARG A 426 -3.022 -5.922 5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 426 -1.741 -8.298 5.310 1.00 0.00 H new ATOM 0 HB3 ARG A 426 -0.381 -7.229 5.592 1.00 0.00 H new ATOM 0 HG2 ARG A 426 -2.509 -7.034 7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 426 -1.751 -8.611 7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 426 0.133 -6.313 7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 426 -0.748 -6.480 8.954 1.00 0.00 H new ATOM 0 HE ARG A 426 0.157 -9.054 8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 426 1.632 -5.858 8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 426 3.174 -6.485 9.283 1.00 0.00 H new ATOM 0 HH21 ARG A 426 2.142 -9.855 9.212 1.00 0.00 H new ATOM 0 HH22 ARG A 426 3.461 -8.739 9.577 1.00 0.00 H new ATOM 975 N ALA A 427 -0.611 -4.981 3.917 1.00 0.00 N ATOM 976 CA ALA A 427 0.297 -3.879 3.623 1.00 0.00 C ATOM 977 C ALA A 427 -0.481 -2.606 3.309 1.00 0.00 C ATOM 978 O ALA A 427 -0.371 -1.613 4.017 1.00 0.00 O ATOM 979 CB ALA A 427 1.226 -4.226 2.468 1.00 0.00 C ATOM 0 H ALA A 427 -0.643 -5.707 3.201 1.00 0.00 H new ATOM 0 HA ALA A 427 0.905 -3.706 4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.892 -3.386 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.817 -5.104 2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.635 -4.437 1.577 1.00 0.00 H new ATOM 985 N ALA A 428 -1.265 -2.648 2.243 1.00 0.00 N ATOM 986 CA ALA A 428 -2.058 -1.492 1.842 1.00 0.00 C ATOM 987 C ALA A 428 -2.693 -0.879 3.074 1.00 0.00 C ATOM 988 O ALA A 428 -2.561 0.315 3.341 1.00 0.00 O ATOM 989 CB ALA A 428 -3.133 -1.878 0.844 1.00 0.00 C ATOM 0 H ALA A 428 -1.370 -3.465 1.641 1.00 0.00 H new ATOM 0 HA ALA A 428 -1.401 -0.769 1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -3.706 -0.993 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -2.668 -2.304 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -3.799 -2.615 1.293 1.00 0.00 H new ATOM 995 N GLU A 429 -3.357 -1.734 3.831 1.00 0.00 N ATOM 996 CA GLU A 429 -4.006 -1.344 5.066 1.00 0.00 C ATOM 997 C GLU A 429 -2.975 -0.780 6.035 1.00 0.00 C ATOM 998 O GLU A 429 -3.078 0.351 6.503 1.00 0.00 O ATOM 999 CB GLU A 429 -4.663 -2.578 5.670 1.00 0.00 C ATOM 1000 CG GLU A 429 -6.105 -2.361 6.097 1.00 0.00 C ATOM 1001 CD GLU A 429 -6.253 -2.223 7.599 1.00 0.00 C ATOM 1002 OE1 GLU A 429 -5.579 -2.974 8.334 1.00 0.00 O ATOM 1003 OE2 GLU A 429 -7.044 -1.364 8.040 1.00 0.00 O ATOM 0 H GLU A 429 -3.461 -2.723 3.604 1.00 0.00 H new ATOM 0 HA GLU A 429 -4.756 -0.577 4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 429 -4.628 -3.389 4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 429 -4.083 -2.900 6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 429 -6.492 -1.464 5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 429 -6.712 -3.197 5.751 1.00 0.00 H new ATOM 1010 N ASN A 430 -1.988 -1.613 6.319 1.00 0.00 N ATOM 1011 CA ASN A 430 -0.915 -1.262 7.238 1.00 0.00 C ATOM 1012 C ASN A 430 -0.439 0.153 6.946 1.00 0.00 C ATOM 1013 O ASN A 430 -0.435 1.014 7.825 1.00 0.00 O ATOM 1014 CB ASN A 430 0.242 -2.247 7.102 1.00 0.00 C ATOM 1015 CG ASN A 430 1.510 -1.745 7.761 1.00 0.00 C ATOM 1016 OD1 ASN A 430 2.582 -1.755 7.158 1.00 0.00 O ATOM 1017 ND2 ASN A 430 1.392 -1.303 9.007 1.00 0.00 N ATOM 0 H ASN A 430 -1.907 -2.549 5.921 1.00 0.00 H new ATOM 0 HA ASN A 430 -1.290 -1.311 8.260 1.00 0.00 H new ATOM 0 HB2 ASN A 430 -0.042 -3.200 7.547 1.00 0.00 H new ATOM 0 HB3 ASN A 430 0.434 -2.433 6.045 1.00 0.00 H new ATOM 0 HD21 ASN A 430 2.211 -0.953 9.504 1.00 0.00 H new ATOM 0 HD22 ASN A 430 0.482 -1.314 9.468 1.00 0.00 H new ATOM 1024 N ALA A 431 -0.077 0.392 5.698 1.00 0.00 N ATOM 1025 CA ALA A 431 0.360 1.707 5.269 1.00 0.00 C ATOM 1026 C ALA A 431 -0.793 2.685 5.391 1.00 0.00 C ATOM 1027 O ALA A 431 -0.606 3.874 5.645 1.00 0.00 O ATOM 1028 CB ALA A 431 0.859 1.664 3.836 1.00 0.00 C ATOM 0 H ALA A 431 -0.078 -0.313 4.961 1.00 0.00 H new ATOM 0 HA ALA A 431 1.182 2.033 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 431 1.182 2.660 3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 431 1.698 0.973 3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 431 0.055 1.329 3.181 1.00 0.00 H new ATOM 1034 N LEU A 432 -1.988 2.152 5.192 1.00 0.00 N ATOM 1035 CA LEU A 432 -3.211 2.928 5.259 1.00 0.00 C ATOM 1036 C LEU A 432 -3.538 3.337 6.695 1.00 0.00 C ATOM 1037 O LEU A 432 -4.087 4.413 6.931 1.00 0.00 O ATOM 1038 CB LEU A 432 -4.338 2.092 4.664 1.00 0.00 C ATOM 1039 CG LEU A 432 -5.723 2.309 5.260 1.00 0.00 C ATOM 1040 CD1 LEU A 432 -6.766 1.685 4.353 1.00 0.00 C ATOM 1041 CD2 LEU A 432 -5.810 1.713 6.659 1.00 0.00 C ATOM 0 H LEU A 432 -2.135 1.165 4.979 1.00 0.00 H new ATOM 0 HA LEU A 432 -3.087 3.850 4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -4.389 2.297 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -4.079 1.039 4.774 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.909 3.380 5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -7.758 1.840 4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -6.717 2.150 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -6.574 0.616 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -6.808 1.880 7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -5.612 0.642 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -5.072 2.190 7.304 1.00 0.00 H new ATOM 1053 N ARG A 433 -3.195 2.477 7.650 1.00 0.00 N ATOM 1054 CA ARG A 433 -3.455 2.758 9.059 1.00 0.00 C ATOM 1055 C ARG A 433 -2.776 4.056 9.476 1.00 0.00 C ATOM 1056 O ARG A 433 -3.337 4.856 10.225 1.00 0.00 O ATOM 1057 CB ARG A 433 -2.952 1.612 9.942 1.00 0.00 C ATOM 1058 CG ARG A 433 -3.068 0.239 9.302 1.00 0.00 C ATOM 1059 CD ARG A 433 -4.491 -0.040 8.846 1.00 0.00 C ATOM 1060 NE ARG A 433 -5.204 -0.906 9.782 1.00 0.00 N ATOM 1061 CZ ARG A 433 -5.903 -0.455 10.821 1.00 0.00 C ATOM 1062 NH1 ARG A 433 -5.990 0.848 11.055 1.00 0.00 N ATOM 1063 NH2 ARG A 433 -6.517 -1.309 11.629 1.00 0.00 N ATOM 0 H ARG A 433 -2.738 1.582 7.475 1.00 0.00 H new ATOM 0 HA ARG A 433 -4.533 2.858 9.189 1.00 0.00 H new ATOM 0 HB2 ARG A 433 -1.908 1.795 10.197 1.00 0.00 H new ATOM 0 HB3 ARG A 433 -3.513 1.614 10.876 1.00 0.00 H new ATOM 0 HG2 ARG A 433 -2.392 0.175 8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 433 -2.756 -0.524 10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 433 -5.030 0.902 8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 433 -4.472 -0.508 7.862 1.00 0.00 H new ATOM 0 HE ARG A 433 -5.164 -1.914 9.631 1.00 0.00 H new ATOM 0 HH11 ARG A 433 -5.520 1.510 10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 433 -6.527 1.188 11.853 1.00 0.00 H new ATOM 0 HH21 ARG A 433 -6.454 -2.312 11.454 1.00 0.00 H new ATOM 0 HH22 ARG A 433 -7.053 -0.963 12.425 1.00 0.00 H new ATOM 1077 N ASP A 434 -1.560 4.247 8.986 1.00 0.00 N ATOM 1078 CA ASP A 434 -0.776 5.432 9.295 1.00 0.00 C ATOM 1079 C ASP A 434 -1.416 6.693 8.717 1.00 0.00 C ATOM 1080 O ASP A 434 -1.410 6.907 7.504 1.00 0.00 O ATOM 1081 CB ASP A 434 0.641 5.267 8.755 1.00 0.00 C ATOM 1082 CG ASP A 434 1.442 4.242 9.534 1.00 0.00 C ATOM 1083 OD1 ASP A 434 1.350 4.238 10.779 1.00 0.00 O ATOM 1084 OD2 ASP A 434 2.161 3.442 8.899 1.00 0.00 O ATOM 0 H ASP A 434 -1.091 3.587 8.365 1.00 0.00 H new ATOM 0 HA ASP A 434 -0.743 5.544 10.379 1.00 0.00 H new ATOM 0 HB2 ASP A 434 0.595 4.968 7.708 1.00 0.00 H new ATOM 0 HB3 ASP A 434 1.154 6.228 8.790 1.00 0.00 H new ATOM 1089 N LYS A 435 -1.947 7.532 9.600 1.00 0.00 N ATOM 1090 CA LYS A 435 -2.569 8.785 9.186 1.00 0.00 C ATOM 1091 C LYS A 435 -1.511 9.748 8.672 1.00 0.00 C ATOM 1092 O LYS A 435 -1.611 10.258 7.561 1.00 0.00 O ATOM 1093 CB LYS A 435 -3.336 9.417 10.349 1.00 0.00 C ATOM 1094 CG LYS A 435 -4.301 10.508 9.916 1.00 0.00 C ATOM 1095 CD LYS A 435 -5.746 10.092 10.130 1.00 0.00 C ATOM 1096 CE LYS A 435 -6.313 9.397 8.903 1.00 0.00 C ATOM 1097 NZ LYS A 435 -7.740 9.018 9.089 1.00 0.00 N ATOM 0 H LYS A 435 -1.959 7.367 10.607 1.00 0.00 H new ATOM 0 HA LYS A 435 -3.275 8.572 8.383 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -3.891 8.639 10.873 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -2.623 9.835 11.060 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -4.097 11.419 10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -4.140 10.740 8.863 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -5.810 9.425 10.990 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -6.348 10.970 10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -6.222 10.055 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -5.726 8.504 8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -8.089 8.547 8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -7.824 8.370 9.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -8.305 9.872 9.269 1.00 0.00 H new ATOM 1111 N LYS A 436 -0.512 10.009 9.504 1.00 0.00 N ATOM 1112 CA LYS A 436 0.550 10.934 9.145 1.00 0.00 C ATOM 1113 C LYS A 436 0.886 10.800 7.665 1.00 0.00 C ATOM 1114 O LYS A 436 0.853 11.782 6.927 1.00 0.00 O ATOM 1115 CB LYS A 436 1.792 10.671 9.992 1.00 0.00 C ATOM 1116 CG LYS A 436 1.836 11.486 11.274 1.00 0.00 C ATOM 1117 CD LYS A 436 1.667 12.970 10.994 1.00 0.00 C ATOM 1118 CE LYS A 436 2.616 13.805 11.838 1.00 0.00 C ATOM 1119 NZ LYS A 436 3.278 14.874 11.042 1.00 0.00 N ATOM 0 H LYS A 436 -0.416 9.593 10.430 1.00 0.00 H new ATOM 0 HA LYS A 436 0.206 11.950 9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 436 1.833 9.611 10.243 1.00 0.00 H new ATOM 0 HB3 LYS A 436 2.680 10.893 9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 436 1.048 11.149 11.948 1.00 0.00 H new ATOM 0 HG3 LYS A 436 2.785 11.316 11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 436 1.850 13.166 9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 436 0.638 13.266 11.200 1.00 0.00 H new ATOM 0 HE2 LYS A 436 2.065 14.256 12.663 1.00 0.00 H new ATOM 0 HE3 LYS A 436 3.375 13.158 12.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 3.916 15.419 11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 3.825 14.443 10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 2.556 15.508 10.643 1.00 0.00 H new ATOM 1133 N MET A 437 1.178 9.584 7.228 1.00 0.00 N ATOM 1134 CA MET A 437 1.482 9.357 5.817 1.00 0.00 C ATOM 1135 C MET A 437 0.267 9.734 4.986 1.00 0.00 C ATOM 1136 O MET A 437 0.378 10.448 3.992 1.00 0.00 O ATOM 1137 CB MET A 437 1.889 7.904 5.527 1.00 0.00 C ATOM 1138 CG MET A 437 1.878 6.991 6.739 1.00 0.00 C ATOM 1139 SD MET A 437 2.675 5.406 6.415 1.00 0.00 S ATOM 1140 CE MET A 437 4.332 5.946 6.001 1.00 0.00 C ATOM 0 H MET A 437 1.212 8.751 7.815 1.00 0.00 H new ATOM 0 HA MET A 437 2.336 9.980 5.552 1.00 0.00 H new ATOM 0 HB2 MET A 437 1.215 7.495 4.774 1.00 0.00 H new ATOM 0 HB3 MET A 437 2.890 7.900 5.095 1.00 0.00 H new ATOM 0 HG2 MET A 437 2.384 7.486 7.568 1.00 0.00 H new ATOM 0 HG3 MET A 437 0.848 6.819 7.051 1.00 0.00 H new ATOM 0 HE1 MET A 437 5.058 5.254 6.428 1.00 0.00 H new ATOM 0 HE2 MET A 437 4.447 5.969 4.917 1.00 0.00 H new ATOM 0 HE3 MET A 437 4.501 6.944 6.405 1.00 0.00 H new ATOM 1150 N LEU A 438 -0.905 9.275 5.422 1.00 0.00 N ATOM 1151 CA LEU A 438 -2.145 9.599 4.732 1.00 0.00 C ATOM 1152 C LEU A 438 -2.178 11.095 4.462 1.00 0.00 C ATOM 1153 O LEU A 438 -2.171 11.542 3.314 1.00 0.00 O ATOM 1154 CB LEU A 438 -3.337 9.210 5.607 1.00 0.00 C ATOM 1155 CG LEU A 438 -4.270 8.151 5.024 1.00 0.00 C ATOM 1156 CD1 LEU A 438 -3.516 6.856 4.761 1.00 0.00 C ATOM 1157 CD2 LEU A 438 -5.435 7.913 5.972 1.00 0.00 C ATOM 0 H LEU A 438 -1.018 8.682 6.244 1.00 0.00 H new ATOM 0 HA LEU A 438 -2.200 9.050 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.959 8.848 6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -3.920 10.107 5.814 1.00 0.00 H new ATOM 0 HG LEU A 438 -4.660 8.511 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -4.199 6.115 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.709 7.042 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -3.099 6.481 5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -6.098 7.157 5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -5.056 7.569 6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -5.987 8.843 6.111 1.00 0.00 H new ATOM 1169 N ASP A 439 -2.200 11.854 5.548 1.00 0.00 N ATOM 1170 CA ASP A 439 -2.215 13.310 5.490 1.00 0.00 C ATOM 1171 C ASP A 439 -0.988 13.839 4.759 1.00 0.00 C ATOM 1172 O ASP A 439 -0.986 14.961 4.268 1.00 0.00 O ATOM 1173 CB ASP A 439 -2.241 13.875 6.909 1.00 0.00 C ATOM 1174 CG ASP A 439 -3.291 14.956 7.091 1.00 0.00 C ATOM 1175 OD1 ASP A 439 -3.648 15.612 6.089 1.00 0.00 O ATOM 1176 OD2 ASP A 439 -3.753 15.149 8.234 1.00 0.00 O ATOM 0 H ASP A 439 -2.208 11.478 6.496 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.105 13.624 4.945 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.432 13.066 7.614 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.260 14.283 7.151 1.00 0.00 H new ATOM 1181 N PHE A 440 0.053 13.023 4.691 1.00 0.00 N ATOM 1182 CA PHE A 440 1.281 13.420 4.020 1.00 0.00 C ATOM 1183 C PHE A 440 1.098 13.361 2.513 1.00 0.00 C ATOM 1184 O PHE A 440 1.250 14.365 1.819 1.00 0.00 O ATOM 1185 CB PHE A 440 2.445 12.526 4.456 1.00 0.00 C ATOM 1186 CG PHE A 440 3.737 12.834 3.752 1.00 0.00 C ATOM 1187 CD1 PHE A 440 4.052 12.215 2.553 1.00 0.00 C ATOM 1188 CD2 PHE A 440 4.636 13.743 4.289 1.00 0.00 C ATOM 1189 CE1 PHE A 440 5.238 12.495 1.904 1.00 0.00 C ATOM 1190 CE2 PHE A 440 5.825 14.027 3.643 1.00 0.00 C ATOM 1191 CZ PHE A 440 6.126 13.402 2.449 1.00 0.00 C ATOM 0 H PHE A 440 0.072 12.085 5.091 1.00 0.00 H new ATOM 0 HA PHE A 440 1.515 14.447 4.302 1.00 0.00 H new ATOM 0 HB2 PHE A 440 2.592 12.634 5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 440 2.181 11.485 4.273 1.00 0.00 H new ATOM 0 HD1 PHE A 440 3.362 11.505 2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 440 4.405 14.235 5.222 1.00 0.00 H new ATOM 0 HE1 PHE A 440 5.471 12.005 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 440 6.517 14.737 4.072 1.00 0.00 H new ATOM 0 HZ PHE A 440 7.054 13.622 1.942 1.00 0.00 H new ATOM 1201 N TYR A 441 0.748 12.183 2.010 1.00 0.00 N ATOM 1202 CA TYR A 441 0.521 12.007 0.590 1.00 0.00 C ATOM 1203 C TYR A 441 -0.573 12.949 0.126 1.00 0.00 C ATOM 1204 O TYR A 441 -0.399 13.685 -0.844 1.00 0.00 O ATOM 1205 CB TYR A 441 0.152 10.561 0.292 1.00 0.00 C ATOM 1206 CG TYR A 441 1.301 9.608 0.504 1.00 0.00 C ATOM 1207 CD1 TYR A 441 2.458 9.708 -0.257 1.00 0.00 C ATOM 1208 CD2 TYR A 441 1.236 8.619 1.475 1.00 0.00 C ATOM 1209 CE1 TYR A 441 3.518 8.847 -0.060 1.00 0.00 C ATOM 1210 CE2 TYR A 441 2.294 7.755 1.680 1.00 0.00 C ATOM 1211 CZ TYR A 441 3.432 7.873 0.909 1.00 0.00 C ATOM 1212 OH TYR A 441 4.489 7.014 1.109 1.00 0.00 O ATOM 0 H TYR A 441 0.617 11.339 2.568 1.00 0.00 H new ATOM 0 HA TYR A 441 1.437 12.242 0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -0.681 10.265 0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -0.192 10.484 -0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 441 2.529 10.473 -1.016 1.00 0.00 H new ATOM 0 HD2 TYR A 441 0.346 8.523 2.079 1.00 0.00 H new ATOM 0 HE1 TYR A 441 4.410 8.937 -0.662 1.00 0.00 H new ATOM 0 HE2 TYR A 441 2.231 6.991 2.440 1.00 0.00 H new ATOM 0 HH TYR A 441 4.712 6.986 2.063 1.00 0.00 H new ATOM 1222 N ALA A 442 -1.693 12.951 0.843 1.00 0.00 N ATOM 1223 CA ALA A 442 -2.781 13.846 0.499 1.00 0.00 C ATOM 1224 C ALA A 442 -2.232 15.263 0.451 1.00 0.00 C ATOM 1225 O ALA A 442 -2.212 15.904 -0.599 1.00 0.00 O ATOM 1226 CB ALA A 442 -3.921 13.750 1.503 1.00 0.00 C ATOM 0 H ALA A 442 -1.865 12.353 1.651 1.00 0.00 H new ATOM 0 HA ALA A 442 -3.188 13.563 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 442 -4.719 14.434 1.214 1.00 0.00 H new ATOM 0 HB2 ALA A 442 -4.306 12.730 1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 442 -3.556 14.017 2.495 1.00 0.00 H new ATOM 1232 N LYS A 443 -1.777 15.738 1.607 1.00 0.00 N ATOM 1233 CA LYS A 443 -1.213 17.074 1.712 1.00 0.00 C ATOM 1234 C LYS A 443 -0.280 17.321 0.545 1.00 0.00 C ATOM 1235 O LYS A 443 -0.196 18.430 0.023 1.00 0.00 O ATOM 1236 CB LYS A 443 -0.436 17.224 3.014 1.00 0.00 C ATOM 1237 CG LYS A 443 -1.305 17.461 4.230 1.00 0.00 C ATOM 1238 CD LYS A 443 -1.582 18.941 4.431 1.00 0.00 C ATOM 1239 CE LYS A 443 -2.223 19.563 3.200 1.00 0.00 C ATOM 1240 NZ LYS A 443 -2.820 20.892 3.499 1.00 0.00 N ATOM 0 H LYS A 443 -1.789 15.215 2.483 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.027 17.799 1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 443 0.158 16.325 3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 443 0.263 18.054 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -2.247 16.925 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -0.813 17.057 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -2.238 19.075 5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -0.650 19.459 4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -1.474 19.669 2.415 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -2.995 18.896 2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -3.247 21.283 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -3.552 20.787 4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -2.079 21.536 3.841 1.00 0.00 H new ATOM 1254 N GLN A 444 0.399 16.264 0.123 1.00 0.00 N ATOM 1255 CA GLN A 444 1.303 16.353 -1.012 1.00 0.00 C ATOM 1256 C GLN A 444 0.485 16.646 -2.264 1.00 0.00 C ATOM 1257 O GLN A 444 0.729 17.616 -2.979 1.00 0.00 O ATOM 1258 CB GLN A 444 2.086 15.050 -1.174 1.00 0.00 C ATOM 1259 CG GLN A 444 3.495 15.248 -1.706 1.00 0.00 C ATOM 1260 CD GLN A 444 4.416 14.093 -1.365 1.00 0.00 C ATOM 1261 OE1 GLN A 444 5.446 14.278 -0.718 1.00 0.00 O ATOM 1262 NE2 GLN A 444 4.049 12.894 -1.800 1.00 0.00 N ATOM 0 H GLN A 444 0.341 15.339 0.548 1.00 0.00 H new ATOM 0 HA GLN A 444 2.022 17.156 -0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 444 2.139 14.545 -0.209 1.00 0.00 H new ATOM 0 HB3 GLN A 444 1.541 14.390 -1.849 1.00 0.00 H new ATOM 0 HG2 GLN A 444 3.457 15.370 -2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 444 3.908 16.170 -1.296 1.00 0.00 H new ATOM 0 HE21 GLN A 444 3.186 12.787 -2.333 1.00 0.00 H new ATOM 0 HE22 GLN A 444 4.630 12.079 -1.601 1.00 0.00 H new