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= -3.91! C(o=-3.5!,f=-17!) USER MOD Set 1.2: A 371 LYS NZ :NH3+ 178:sc= 0.377 (180deg=-0.122) USER MOD Single : A 368 MET CE :methyl 180:sc= 0 (180deg=0) 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 : no HD1:sc= -5.81! C(o=-5.8!,f=-4.9!) USER MOD Single : A 387 TYR OH : rot 165:sc= -3.3! USER MOD Single : A 389 THR OG1 : rot 151:sc= -1.61! USER MOD Single : A 391 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 392 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 394 THR OG1 : rot -150:sc= -1.44! USER MOD Single : A 399 ASN : amide:sc= -0.0226 K(o=-0.023,f=-0.62) USER MOD Single : A 400 SER OG : rot 2:sc= -0.604! USER MOD Single : A 404 CYS SG : rot -72:sc= -3.41! USER MOD Single : A 410 THR OG1 : rot 180:sc= 0 USER MOD Single : A 414 THR OG1 : rot -24:sc= 0.75 USER MOD Single : A 419 ASN : amide:sc= -0.315 K(o=-0.31,f=-1.9!) USER MOD Single : A 421 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0908) USER MOD Single : A 430 ASN : amide:sc= -2.38 K(o=-2.4,f=-0.44) USER MOD Single : A 435 LYS NZ :NH3+ -128:sc= 0.783 (180deg=-0.0162) USER MOD Single : A 436 LYS NZ :NH3+ 150:sc= -0.218 (180deg=-1.46!) USER MOD Single : A 437 MET CE :methyl -119:sc= -4.8! (180deg=-9.11!) USER MOD Single : A 441 TYR OH : rot 110:sc= -2.09! 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) USER MOD ----------------------------------------------------------------- ATOM 40 N ASP A 367 -7.896 -7.015 7.362 1.00 0.00 N ATOM 41 CA ASP A 367 -9.044 -6.212 6.959 1.00 0.00 C ATOM 42 C ASP A 367 -9.730 -6.816 5.738 1.00 0.00 C ATOM 43 O ASP A 367 -9.415 -7.933 5.328 1.00 0.00 O ATOM 44 CB ASP A 367 -8.610 -4.776 6.659 1.00 0.00 C ATOM 45 CG ASP A 367 -8.137 -4.047 7.902 1.00 0.00 C ATOM 46 OD1 ASP A 367 -7.131 -4.483 8.500 1.00 0.00 O ATOM 47 OD2 ASP A 367 -8.772 -3.039 8.276 1.00 0.00 O ATOM 0 HA ASP A 367 -9.756 -6.203 7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 367 -7.809 -4.788 5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 367 -9.444 -4.232 6.216 1.00 0.00 H new ATOM 52 N MET A 368 -10.669 -6.073 5.163 1.00 0.00 N ATOM 53 CA MET A 368 -11.397 -6.540 3.990 1.00 0.00 C ATOM 54 C MET A 368 -10.997 -5.752 2.749 1.00 0.00 C ATOM 55 O MET A 368 -10.739 -6.331 1.693 1.00 0.00 O ATOM 56 CB MET A 368 -12.905 -6.426 4.222 1.00 0.00 C ATOM 57 CG MET A 368 -13.380 -7.139 5.477 1.00 0.00 C ATOM 58 SD MET A 368 -15.082 -7.720 5.345 1.00 0.00 S ATOM 59 CE MET A 368 -15.046 -9.122 6.460 1.00 0.00 C ATOM 0 H MET A 368 -10.943 -5.146 5.490 1.00 0.00 H new ATOM 0 HA MET A 368 -11.140 -7.587 3.827 1.00 0.00 H new ATOM 0 HB2 MET A 368 -13.176 -5.372 4.288 1.00 0.00 H new ATOM 0 HB3 MET A 368 -13.430 -6.837 3.359 1.00 0.00 H new ATOM 0 HG2 MET A 368 -12.725 -7.987 5.678 1.00 0.00 H new ATOM 0 HG3 MET A 368 -13.296 -6.463 6.328 1.00 0.00 H new ATOM 0 HE1 MET A 368 -16.030 -9.590 6.488 1.00 0.00 H new ATOM 0 HE2 MET A 368 -14.309 -9.846 6.111 1.00 0.00 H new ATOM 0 HE3 MET A 368 -14.777 -8.784 7.461 1.00 0.00 H new ATOM 69 N ASN A 369 -10.946 -4.432 2.880 1.00 0.00 N ATOM 70 CA ASN A 369 -10.576 -3.574 1.760 1.00 0.00 C ATOM 71 C ASN A 369 -9.416 -2.658 2.122 1.00 0.00 C ATOM 72 O ASN A 369 -9.603 -1.475 2.406 1.00 0.00 O ATOM 73 CB ASN A 369 -11.774 -2.739 1.324 1.00 0.00 C ATOM 74 CG ASN A 369 -12.283 -3.126 -0.051 1.00 0.00 C ATOM 75 OD1 ASN A 369 -11.501 -3.453 -0.945 1.00 0.00 O ATOM 76 ND2 ASN A 369 -13.598 -3.092 -0.228 1.00 0.00 N ATOM 0 H ASN A 369 -11.155 -3.934 3.745 1.00 0.00 H new ATOM 0 HA ASN A 369 -10.259 -4.216 0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -12.578 -2.855 2.051 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -11.496 -1.685 1.322 1.00 0.00 H new ATOM 0 HD21 ASN A 369 -13.998 -3.343 -1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 369 -14.209 -2.815 0.540 1.00 0.00 H new ATOM 83 N ALA A 370 -8.217 -3.213 2.083 1.00 0.00 N ATOM 84 CA ALA A 370 -7.006 -2.456 2.376 1.00 0.00 C ATOM 85 C ALA A 370 -6.572 -1.668 1.153 1.00 0.00 C ATOM 86 O ALA A 370 -6.480 -0.445 1.189 1.00 0.00 O ATOM 87 CB ALA A 370 -5.888 -3.372 2.834 1.00 0.00 C ATOM 0 H ALA A 370 -8.053 -4.192 1.850 1.00 0.00 H new ATOM 0 HA ALA A 370 -7.227 -1.761 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -4.997 -2.781 3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.196 -3.899 3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -5.666 -4.095 2.049 1.00 0.00 H new ATOM 93 N LYS A 371 -6.331 -2.383 0.064 1.00 0.00 N ATOM 94 CA LYS A 371 -5.937 -1.752 -1.187 1.00 0.00 C ATOM 95 C LYS A 371 -7.012 -0.762 -1.612 1.00 0.00 C ATOM 96 O LYS A 371 -6.759 0.176 -2.353 1.00 0.00 O ATOM 97 CB LYS A 371 -5.734 -2.805 -2.276 1.00 0.00 C ATOM 98 CG LYS A 371 -7.033 -3.419 -2.774 1.00 0.00 C ATOM 99 CD LYS A 371 -7.443 -4.618 -1.931 1.00 0.00 C ATOM 100 CE LYS A 371 -8.667 -5.312 -2.510 1.00 0.00 C ATOM 101 NZ LYS A 371 -9.842 -4.400 -2.581 1.00 0.00 N ATOM 0 H LYS A 371 -6.401 -3.400 0.021 1.00 0.00 H new ATOM 0 HA LYS A 371 -4.994 -1.225 -1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -5.210 -2.351 -3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -5.091 -3.596 -1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -7.824 -2.669 -2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -6.916 -3.726 -3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -6.615 -5.325 -1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -7.655 -4.293 -0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -8.435 -5.683 -3.508 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -8.917 -6.178 -1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -10.645 -4.901 -3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -10.101 -4.092 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -9.602 -3.569 -3.159 1.00 0.00 H new ATOM 115 N ARG A 372 -8.210 -0.985 -1.098 1.00 0.00 N ATOM 116 CA ARG A 372 -9.338 -0.114 -1.385 1.00 0.00 C ATOM 117 C ARG A 372 -9.305 1.091 -0.462 1.00 0.00 C ATOM 118 O ARG A 372 -9.267 2.236 -0.913 1.00 0.00 O ATOM 119 CB ARG A 372 -10.663 -0.863 -1.223 1.00 0.00 C ATOM 120 CG ARG A 372 -11.877 0.052 -1.144 1.00 0.00 C ATOM 121 CD ARG A 372 -12.676 0.028 -2.434 1.00 0.00 C ATOM 122 NE ARG A 372 -13.906 0.804 -2.328 1.00 0.00 N ATOM 123 CZ ARG A 372 -14.838 0.841 -3.274 1.00 0.00 C ATOM 124 NH1 ARG A 372 -14.678 0.150 -4.393 1.00 0.00 N ATOM 125 NH2 ARG A 372 -15.931 1.571 -3.101 1.00 0.00 N ATOM 0 H ARG A 372 -8.427 -1.765 -0.477 1.00 0.00 H new ATOM 0 HA ARG A 372 -9.261 0.221 -2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -10.789 -1.547 -2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -10.618 -1.472 -0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -12.513 -0.257 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -11.553 1.071 -0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -12.066 0.424 -3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -12.919 -1.003 -2.691 1.00 0.00 H new ATOM 0 HE ARG A 372 -14.059 1.349 -1.480 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -13.838 -0.412 -4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -15.395 0.180 -5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -16.057 2.105 -2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -16.646 1.599 -3.828 1.00 0.00 H new ATOM 139 N GLN A 373 -9.321 0.824 0.836 1.00 0.00 N ATOM 140 CA GLN A 373 -9.293 1.886 1.828 1.00 0.00 C ATOM 141 C GLN A 373 -8.065 2.770 1.631 1.00 0.00 C ATOM 142 O GLN A 373 -8.135 3.992 1.757 1.00 0.00 O ATOM 143 CB GLN A 373 -9.303 1.281 3.229 1.00 0.00 C ATOM 144 CG GLN A 373 -9.381 2.313 4.333 1.00 0.00 C ATOM 145 CD GLN A 373 -10.567 2.101 5.253 1.00 0.00 C ATOM 146 OE1 GLN A 373 -10.441 1.497 6.319 1.00 0.00 O ATOM 147 NE2 GLN A 373 -11.730 2.597 4.845 1.00 0.00 N ATOM 0 H GLN A 373 -9.353 -0.118 1.225 1.00 0.00 H new ATOM 0 HA GLN A 373 -10.179 2.509 1.707 1.00 0.00 H new ATOM 0 HB2 GLN A 373 -10.151 0.602 3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -8.401 0.684 3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -8.462 2.282 4.919 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -9.443 3.307 3.891 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -11.790 3.091 3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -12.563 2.484 5.422 1.00 0.00 H new ATOM 156 N LEU A 374 -6.947 2.134 1.314 1.00 0.00 N ATOM 157 CA LEU A 374 -5.694 2.828 1.086 1.00 0.00 C ATOM 158 C LEU A 374 -5.763 3.635 -0.205 1.00 0.00 C ATOM 159 O LEU A 374 -5.645 4.862 -0.191 1.00 0.00 O ATOM 160 CB LEU A 374 -4.551 1.813 1.016 1.00 0.00 C ATOM 161 CG LEU A 374 -3.161 2.412 0.834 1.00 0.00 C ATOM 162 CD1 LEU A 374 -2.850 2.607 -0.641 1.00 0.00 C ATOM 163 CD2 LEU A 374 -3.053 3.727 1.590 1.00 0.00 C ATOM 0 H LEU A 374 -6.886 1.121 1.208 1.00 0.00 H new ATOM 0 HA LEU A 374 -5.512 3.515 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 374 -4.557 1.220 1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -4.745 1.128 0.191 1.00 0.00 H new ATOM 0 HG LEU A 374 -2.426 1.719 1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 374 -1.854 3.035 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 374 -2.889 1.645 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 374 -3.585 3.281 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 374 -2.056 4.145 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 374 -3.796 4.428 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 374 -3.230 3.552 2.651 1.00 0.00 H new ATOM 175 N TYR A 375 -5.964 2.940 -1.318 1.00 0.00 N ATOM 176 CA TYR A 375 -6.058 3.602 -2.620 1.00 0.00 C ATOM 177 C TYR A 375 -6.937 4.830 -2.504 1.00 0.00 C ATOM 178 O TYR A 375 -6.728 5.845 -3.168 1.00 0.00 O ATOM 179 CB TYR A 375 -6.633 2.659 -3.667 1.00 0.00 C ATOM 180 CG TYR A 375 -6.312 3.051 -5.090 1.00 0.00 C ATOM 181 CD1 TYR A 375 -5.093 3.638 -5.418 1.00 0.00 C ATOM 182 CD2 TYR A 375 -7.229 2.830 -6.110 1.00 0.00 C ATOM 183 CE1 TYR A 375 -4.804 3.992 -6.724 1.00 0.00 C ATOM 184 CE2 TYR A 375 -6.944 3.181 -7.415 1.00 0.00 C ATOM 185 CZ TYR A 375 -5.732 3.761 -7.717 1.00 0.00 C ATOM 186 OH TYR A 375 -5.445 4.112 -9.015 1.00 0.00 O ATOM 0 H TYR A 375 -6.065 1.925 -1.349 1.00 0.00 H new ATOM 0 HA TYR A 375 -5.055 3.895 -2.932 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -6.253 1.654 -3.483 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -7.716 2.617 -3.548 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.363 3.819 -4.643 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -8.181 2.376 -5.878 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -3.855 4.448 -6.965 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -7.669 3.001 -8.195 1.00 0.00 H new ATOM 0 HH TYR A 375 -6.203 3.881 -9.592 1.00 0.00 H new ATOM 196 N SER A 376 -7.912 4.723 -1.624 1.00 0.00 N ATOM 197 CA SER A 376 -8.832 5.818 -1.364 1.00 0.00 C ATOM 198 C SER A 376 -8.139 6.852 -0.485 1.00 0.00 C ATOM 199 O SER A 376 -8.163 8.051 -0.764 1.00 0.00 O ATOM 200 CB SER A 376 -10.097 5.295 -0.676 1.00 0.00 C ATOM 201 OG SER A 376 -10.789 6.340 -0.014 1.00 0.00 O ATOM 0 H SER A 376 -8.090 3.884 -1.072 1.00 0.00 H new ATOM 0 HA SER A 376 -9.124 6.281 -2.307 1.00 0.00 H new ATOM 0 HB2 SER A 376 -10.751 4.833 -1.415 1.00 0.00 H new ATOM 0 HB3 SER A 376 -9.830 4.520 0.042 1.00 0.00 H new ATOM 0 HG SER A 376 -11.593 5.979 0.415 1.00 0.00 H new ATOM 207 N LEU A 377 -7.526 6.361 0.585 1.00 0.00 N ATOM 208 CA LEU A 377 -6.821 7.202 1.537 1.00 0.00 C ATOM 209 C LEU A 377 -5.627 7.905 0.888 1.00 0.00 C ATOM 210 O LEU A 377 -5.581 9.134 0.832 1.00 0.00 O ATOM 211 CB LEU A 377 -6.369 6.353 2.728 1.00 0.00 C ATOM 212 CG LEU A 377 -7.388 6.263 3.865 1.00 0.00 C ATOM 213 CD1 LEU A 377 -7.434 4.855 4.431 1.00 0.00 C ATOM 214 CD2 LEU A 377 -7.061 7.268 4.958 1.00 0.00 C ATOM 0 H LEU A 377 -7.505 5.367 0.815 1.00 0.00 H new ATOM 0 HA LEU A 377 -7.502 7.979 1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -6.146 5.346 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.440 6.766 3.121 1.00 0.00 H new ATOM 0 HG LEU A 377 -8.372 6.503 3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -8.165 4.811 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -7.720 4.156 3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -6.451 4.585 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -7.797 7.188 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.068 7.061 5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -7.083 8.276 4.544 1.00 0.00 H new ATOM 226 N ILE A 378 -4.660 7.128 0.402 1.00 0.00 N ATOM 227 CA ILE A 378 -3.475 7.700 -0.234 1.00 0.00 C ATOM 228 C ILE A 378 -3.535 7.569 -1.753 1.00 0.00 C ATOM 229 O ILE A 378 -3.226 8.517 -2.472 1.00 0.00 O ATOM 230 CB ILE A 378 -2.213 6.986 0.269 1.00 0.00 C ATOM 231 CG1 ILE A 378 -2.002 7.256 1.754 1.00 0.00 C ATOM 232 CG2 ILE A 378 -1.004 7.409 -0.530 1.00 0.00 C ATOM 233 CD1 ILE A 378 -0.904 6.414 2.364 1.00 0.00 C ATOM 0 H ILE A 378 -4.673 6.109 0.436 1.00 0.00 H new ATOM 0 HA ILE A 378 -3.444 8.758 0.027 1.00 0.00 H new ATOM 0 HB ILE A 378 -2.349 5.913 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 378 -1.763 8.310 1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 378 -2.934 7.067 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 378 -0.121 6.890 -0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 378 -1.155 7.157 -1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 378 -0.861 8.485 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 378 -0.806 6.656 3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 378 -1.152 5.358 2.254 1.00 0.00 H new ATOM 0 HD13 ILE A 378 0.038 6.621 1.856 1.00 0.00 H new ATOM 245 N GLY A 379 -3.907 6.378 -2.223 1.00 0.00 N ATOM 246 CA GLY A 379 -3.979 6.115 -3.652 1.00 0.00 C ATOM 247 C GLY A 379 -4.175 7.366 -4.487 1.00 0.00 C ATOM 248 O GLY A 379 -5.194 8.047 -4.371 1.00 0.00 O ATOM 0 H GLY A 379 -4.161 5.585 -1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -3.063 5.616 -3.968 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -4.801 5.426 -3.846 1.00 0.00 H new ATOM 252 N TYR A 380 -3.192 7.668 -5.327 1.00 0.00 N ATOM 253 CA TYR A 380 -3.252 8.844 -6.186 1.00 0.00 C ATOM 254 C TYR A 380 -2.478 8.609 -7.479 1.00 0.00 C ATOM 255 O TYR A 380 -1.511 7.849 -7.506 1.00 0.00 O ATOM 256 CB TYR A 380 -2.682 10.061 -5.453 1.00 0.00 C ATOM 257 CG TYR A 380 -3.692 10.778 -4.587 1.00 0.00 C ATOM 258 CD1 TYR A 380 -4.872 11.275 -5.126 1.00 0.00 C ATOM 259 CD2 TYR A 380 -3.462 10.960 -3.229 1.00 0.00 C ATOM 260 CE1 TYR A 380 -5.796 11.932 -4.336 1.00 0.00 C ATOM 261 CE2 TYR A 380 -4.381 11.617 -2.432 1.00 0.00 C ATOM 262 CZ TYR A 380 -5.546 12.101 -2.990 1.00 0.00 C ATOM 263 OH TYR A 380 -6.463 12.756 -2.200 1.00 0.00 O ATOM 0 H TYR A 380 -2.342 7.113 -5.431 1.00 0.00 H new ATOM 0 HA TYR A 380 -4.296 9.032 -6.436 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -1.846 9.741 -4.831 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.283 10.762 -6.187 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -5.070 11.146 -6.180 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -2.551 10.582 -2.789 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -6.709 12.311 -4.770 1.00 0.00 H new ATOM 0 HE2 TYR A 380 -4.188 11.751 -1.378 1.00 0.00 H new ATOM 0 HH TYR A 380 -6.135 12.789 -1.277 1.00 0.00 H new ATOM 273 N ALA A 381 -2.912 9.265 -8.549 1.00 0.00 N ATOM 274 CA ALA A 381 -2.262 9.126 -9.846 1.00 0.00 C ATOM 275 C ALA A 381 -0.808 9.581 -9.781 1.00 0.00 C ATOM 276 O ALA A 381 0.069 8.980 -10.399 1.00 0.00 O ATOM 277 CB ALA A 381 -3.008 9.912 -10.914 1.00 0.00 C ATOM 0 H ALA A 381 -3.711 9.898 -8.544 1.00 0.00 H new ATOM 0 HA ALA A 381 -2.282 8.070 -10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -2.503 9.792 -11.873 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -4.030 9.540 -10.993 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -3.026 10.968 -10.643 1.00 0.00 H new ATOM 283 N SER A 382 -0.562 10.649 -9.030 1.00 0.00 N ATOM 284 CA SER A 382 0.785 11.191 -8.887 1.00 0.00 C ATOM 285 C SER A 382 1.621 10.348 -7.928 1.00 0.00 C ATOM 286 O SER A 382 2.835 10.225 -8.093 1.00 0.00 O ATOM 287 CB SER A 382 0.725 12.636 -8.389 1.00 0.00 C ATOM 288 OG SER A 382 0.102 13.480 -9.340 1.00 0.00 O ATOM 0 H SER A 382 -1.278 11.157 -8.511 1.00 0.00 H new ATOM 0 HA SER A 382 1.260 11.167 -9.868 1.00 0.00 H new ATOM 0 HB2 SER A 382 0.176 12.677 -7.448 1.00 0.00 H new ATOM 0 HB3 SER A 382 1.734 12.995 -8.185 1.00 0.00 H new ATOM 0 HG SER A 382 0.075 14.397 -8.996 1.00 0.00 H new ATOM 294 N LEU A 383 0.968 9.775 -6.921 1.00 0.00 N ATOM 295 CA LEU A 383 1.662 8.953 -5.936 1.00 0.00 C ATOM 296 C LEU A 383 1.958 7.564 -6.486 1.00 0.00 C ATOM 297 O LEU A 383 2.750 6.818 -5.914 1.00 0.00 O ATOM 298 CB LEU A 383 0.821 8.836 -4.666 1.00 0.00 C ATOM 299 CG LEU A 383 1.542 9.224 -3.379 1.00 0.00 C ATOM 300 CD1 LEU A 383 0.877 8.572 -2.176 1.00 0.00 C ATOM 301 CD2 LEU A 383 3.011 8.837 -3.454 1.00 0.00 C ATOM 0 H LEU A 383 -0.036 9.864 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 383 2.610 9.437 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -0.063 9.465 -4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 383 0.471 7.808 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 383 1.477 10.306 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 383 1.405 8.861 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -0.161 8.900 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 383 0.909 7.488 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 383 3.510 9.121 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 383 3.097 7.760 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 383 3.481 9.352 -4.292 1.00 0.00 H new ATOM 313 N ARG A 384 1.325 7.229 -7.602 1.00 0.00 N ATOM 314 CA ARG A 384 1.519 5.932 -8.241 1.00 0.00 C ATOM 315 C ARG A 384 1.820 4.830 -7.226 1.00 0.00 C ATOM 316 O ARG A 384 2.755 4.051 -7.413 1.00 0.00 O ATOM 317 CB ARG A 384 2.654 6.011 -9.265 1.00 0.00 C ATOM 318 CG ARG A 384 2.424 5.150 -10.497 1.00 0.00 C ATOM 319 CD ARG A 384 2.666 3.677 -10.204 1.00 0.00 C ATOM 320 NE ARG A 384 2.865 2.899 -11.424 1.00 0.00 N ATOM 321 CZ ARG A 384 3.930 3.023 -12.210 1.00 0.00 C ATOM 322 NH1 ARG A 384 4.886 3.889 -11.905 1.00 0.00 N ATOM 323 NH2 ARG A 384 4.040 2.279 -13.303 1.00 0.00 N ATOM 0 H ARG A 384 0.669 7.841 -8.087 1.00 0.00 H new ATOM 0 HA ARG A 384 0.586 5.678 -8.743 1.00 0.00 H new ATOM 0 HB2 ARG A 384 2.780 7.048 -9.575 1.00 0.00 H new ATOM 0 HB3 ARG A 384 3.585 5.706 -8.787 1.00 0.00 H new ATOM 0 HG2 ARG A 384 1.403 5.288 -10.852 1.00 0.00 H new ATOM 0 HG3 ARG A 384 3.087 5.476 -11.298 1.00 0.00 H new ATOM 0 HD2 ARG A 384 3.541 3.575 -9.563 1.00 0.00 H new ATOM 0 HD3 ARG A 384 1.817 3.274 -9.652 1.00 0.00 H new ATOM 0 HE ARG A 384 2.148 2.224 -11.687 1.00 0.00 H new ATOM 0 HH11 ARG A 384 4.806 4.462 -11.065 1.00 0.00 H new ATOM 0 HH12 ARG A 384 5.702 3.982 -12.510 1.00 0.00 H new ATOM 0 HH21 ARG A 384 3.307 1.611 -13.541 1.00 0.00 H new ATOM 0 HH22 ARG A 384 4.858 2.375 -13.905 1.00 0.00 H new ATOM 337 N LEU A 385 1.024 4.747 -6.161 1.00 0.00 N ATOM 338 CA LEU A 385 1.225 3.714 -5.155 1.00 0.00 C ATOM 339 C LEU A 385 1.025 2.345 -5.795 1.00 0.00 C ATOM 340 O LEU A 385 0.224 2.199 -6.719 1.00 0.00 O ATOM 341 CB LEU A 385 0.280 3.926 -3.965 1.00 0.00 C ATOM 342 CG LEU A 385 -1.188 3.600 -4.218 1.00 0.00 C ATOM 343 CD1 LEU A 385 -1.707 4.335 -5.440 1.00 0.00 C ATOM 344 CD2 LEU A 385 -1.376 2.105 -4.379 1.00 0.00 C ATOM 0 H LEU A 385 0.243 5.377 -5.976 1.00 0.00 H new ATOM 0 HA LEU A 385 2.243 3.772 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 385 0.630 3.315 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 385 0.352 4.967 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 385 -1.763 3.934 -3.354 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -2.756 4.084 -5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.610 5.410 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.128 4.040 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -2.429 1.888 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -0.783 1.753 -5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -1.051 1.598 -3.471 1.00 0.00 H new ATOM 356 N HIS A 386 1.780 1.351 -5.336 1.00 0.00 N ATOM 357 CA HIS A 386 1.694 0.012 -5.908 1.00 0.00 C ATOM 358 C HIS A 386 2.033 -1.055 -4.875 1.00 0.00 C ATOM 359 O HIS A 386 2.537 -0.750 -3.793 1.00 0.00 O ATOM 360 CB HIS A 386 2.652 -0.092 -7.100 1.00 0.00 C ATOM 361 CG HIS A 386 2.978 -1.495 -7.515 1.00 0.00 C ATOM 362 ND1 HIS A 386 4.069 -2.195 -7.032 1.00 0.00 N ATOM 363 CD2 HIS A 386 2.367 -2.319 -8.397 1.00 0.00 C ATOM 364 CE1 HIS A 386 4.111 -3.385 -7.605 1.00 0.00 C ATOM 365 NE2 HIS A 386 3.090 -3.486 -8.436 1.00 0.00 N ATOM 0 H HIS A 386 2.453 1.446 -4.576 1.00 0.00 H new ATOM 0 HA HIS A 386 0.669 -0.157 -6.239 1.00 0.00 H new ATOM 0 HB2 HIS A 386 2.213 0.432 -7.949 1.00 0.00 H new ATOM 0 HB3 HIS A 386 3.579 0.424 -6.851 1.00 0.00 H new ATOM 0 HD2 HIS A 386 1.475 -2.100 -8.965 1.00 0.00 H new ATOM 0 HE1 HIS A 386 4.855 -4.147 -7.424 1.00 0.00 H new ATOM 0 HE2 HIS A 386 2.873 -4.299 -9.013 1.00 0.00 H new ATOM 374 N TYR A 387 1.756 -2.307 -5.217 1.00 0.00 N ATOM 375 CA TYR A 387 2.036 -3.424 -4.323 1.00 0.00 C ATOM 376 C TYR A 387 3.110 -4.327 -4.913 1.00 0.00 C ATOM 377 O TYR A 387 2.920 -4.938 -5.966 1.00 0.00 O ATOM 378 CB TYR A 387 0.758 -4.217 -4.049 1.00 0.00 C ATOM 379 CG TYR A 387 -0.403 -3.342 -3.636 1.00 0.00 C ATOM 380 CD1 TYR A 387 -0.548 -2.925 -2.319 1.00 0.00 C ATOM 381 CD2 TYR A 387 -1.346 -2.924 -4.565 1.00 0.00 C ATOM 382 CE1 TYR A 387 -1.601 -2.116 -1.940 1.00 0.00 C ATOM 383 CE2 TYR A 387 -2.403 -2.116 -4.193 1.00 0.00 C ATOM 384 CZ TYR A 387 -2.526 -1.714 -2.880 1.00 0.00 C ATOM 385 OH TYR A 387 -3.575 -0.907 -2.507 1.00 0.00 O ATOM 0 H TYR A 387 1.337 -2.575 -6.108 1.00 0.00 H new ATOM 0 HA TYR A 387 2.407 -3.026 -3.378 1.00 0.00 H new ATOM 0 HB2 TYR A 387 0.484 -4.775 -4.944 1.00 0.00 H new ATOM 0 HB3 TYR A 387 0.952 -4.948 -3.264 1.00 0.00 H new ATOM 0 HD1 TYR A 387 0.174 -3.238 -1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -1.252 -3.235 -5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -1.699 -1.800 -0.912 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -3.130 -1.801 -4.927 1.00 0.00 H new ATOM 0 HH TYR A 387 -3.991 -0.521 -3.306 1.00 0.00 H new ATOM 395 N VAL A 388 4.239 -4.403 -4.223 1.00 0.00 N ATOM 396 CA VAL A 388 5.358 -5.222 -4.669 1.00 0.00 C ATOM 397 C VAL A 388 5.376 -6.569 -3.959 1.00 0.00 C ATOM 398 O VAL A 388 5.262 -6.636 -2.739 1.00 0.00 O ATOM 399 CB VAL A 388 6.704 -4.510 -4.435 1.00 0.00 C ATOM 400 CG1 VAL A 388 6.718 -3.823 -3.080 1.00 0.00 C ATOM 401 CG2 VAL A 388 7.858 -5.489 -4.551 1.00 0.00 C ATOM 0 H VAL A 388 4.405 -3.905 -3.348 1.00 0.00 H new ATOM 0 HA VAL A 388 5.222 -5.384 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 388 6.825 -3.749 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 388 7.677 -3.326 -2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 388 5.917 -3.085 -3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 388 6.570 -4.564 -2.295 1.00 0.00 H new ATOM 0 HG21 VAL A 388 8.798 -4.964 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 388 7.743 -6.277 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 388 7.862 -5.930 -5.548 1.00 0.00 H new ATOM 411 N THR A 389 5.531 -7.639 -4.732 1.00 0.00 N ATOM 412 CA THR A 389 5.578 -8.983 -4.171 1.00 0.00 C ATOM 413 C THR A 389 7.018 -9.438 -3.968 1.00 0.00 C ATOM 414 O THR A 389 7.733 -9.718 -4.931 1.00 0.00 O ATOM 415 CB THR A 389 4.852 -10.001 -5.071 1.00 0.00 C ATOM 416 OG1 THR A 389 3.496 -9.609 -5.316 1.00 0.00 O ATOM 417 CG2 THR A 389 4.848 -11.382 -4.430 1.00 0.00 C ATOM 0 H THR A 389 5.626 -7.601 -5.747 1.00 0.00 H new ATOM 0 HA THR A 389 5.069 -8.940 -3.208 1.00 0.00 H new ATOM 0 HB THR A 389 5.394 -10.032 -6.016 1.00 0.00 H new ATOM 0 HG1 THR A 389 3.209 -9.951 -6.188 1.00 0.00 H new ATOM 0 HG21 THR A 389 4.330 -12.085 -5.083 1.00 0.00 H new ATOM 0 HG22 THR A 389 5.875 -11.716 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 389 4.336 -11.335 -3.469 1.00 0.00 H new ATOM 425 N VAL A 390 7.434 -9.513 -2.711 1.00 0.00 N ATOM 426 CA VAL A 390 8.792 -9.940 -2.379 1.00 0.00 C ATOM 427 C VAL A 390 8.865 -11.453 -2.263 1.00 0.00 C ATOM 428 O VAL A 390 9.789 -12.085 -2.775 1.00 0.00 O ATOM 429 CB VAL A 390 9.299 -9.322 -1.058 1.00 0.00 C ATOM 430 CG1 VAL A 390 10.509 -8.438 -1.308 1.00 0.00 C ATOM 431 CG2 VAL A 390 8.200 -8.542 -0.356 1.00 0.00 C ATOM 0 H VAL A 390 6.854 -9.285 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 390 9.429 -9.590 -3.191 1.00 0.00 H new ATOM 0 HB VAL A 390 9.599 -10.139 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 390 10.850 -8.013 -0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 390 11.309 -9.033 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.237 -7.633 -1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 390 8.589 -8.119 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 390 7.854 -7.737 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 390 7.368 -9.209 -0.130 1.00 0.00 H new ATOM 441 N LYS A 391 7.882 -12.026 -1.583 1.00 0.00 N ATOM 442 CA LYS A 391 7.829 -13.469 -1.393 1.00 0.00 C ATOM 443 C LYS A 391 6.449 -14.016 -1.755 1.00 0.00 C ATOM 444 O LYS A 391 5.461 -13.283 -1.759 1.00 0.00 O ATOM 445 CB LYS A 391 8.212 -13.824 0.058 1.00 0.00 C ATOM 446 CG LYS A 391 7.102 -14.464 0.882 1.00 0.00 C ATOM 447 CD LYS A 391 7.669 -15.305 2.016 1.00 0.00 C ATOM 448 CE LYS A 391 8.038 -16.703 1.540 1.00 0.00 C ATOM 449 NZ LYS A 391 9.022 -17.357 2.448 1.00 0.00 N ATOM 0 H LYS A 391 7.111 -11.514 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 391 8.550 -13.939 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 391 9.065 -14.503 0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 391 8.540 -12.916 0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 391 6.456 -13.687 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 391 6.482 -15.088 0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 391 8.551 -14.815 2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 391 6.937 -15.374 2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 391 7.138 -17.315 1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 391 8.454 -16.646 0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 9.247 -18.307 2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 9.891 -16.787 2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 8.616 -17.435 3.402 1.00 0.00 H new ATOM 463 N LYS A 392 6.397 -15.309 -2.056 1.00 0.00 N ATOM 464 CA LYS A 392 5.145 -15.966 -2.418 1.00 0.00 C ATOM 465 C LYS A 392 5.055 -17.345 -1.780 1.00 0.00 C ATOM 466 O LYS A 392 6.029 -17.840 -1.211 1.00 0.00 O ATOM 467 CB LYS A 392 5.029 -16.097 -3.936 1.00 0.00 C ATOM 468 CG LYS A 392 6.145 -15.404 -4.700 1.00 0.00 C ATOM 469 CD LYS A 392 7.313 -16.343 -4.950 1.00 0.00 C ATOM 470 CE LYS A 392 8.106 -15.933 -6.180 1.00 0.00 C ATOM 471 NZ LYS A 392 7.715 -16.722 -7.381 1.00 0.00 N ATOM 0 H LYS A 392 7.210 -15.925 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 392 4.325 -15.351 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 392 5.023 -17.154 -4.200 1.00 0.00 H new ATOM 0 HB3 LYS A 392 4.072 -15.683 -4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 392 5.762 -15.036 -5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 392 6.488 -14.536 -4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 392 7.968 -16.349 -4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 392 6.942 -17.360 -5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 392 7.950 -14.872 -6.376 1.00 0.00 H new ATOM 0 HE3 LYS A 392 9.170 -16.068 -5.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 8.278 -16.412 -8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 7.888 -17.732 -7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 6.705 -16.573 -7.580 1.00 0.00 H new ATOM 485 N PRO A 393 3.884 -17.991 -1.872 1.00 0.00 N ATOM 486 CA PRO A 393 3.681 -19.326 -1.307 1.00 0.00 C ATOM 487 C PRO A 393 4.617 -20.346 -1.941 1.00 0.00 C ATOM 488 O PRO A 393 4.742 -20.412 -3.164 1.00 0.00 O ATOM 489 CB PRO A 393 2.221 -19.649 -1.645 1.00 0.00 C ATOM 490 CG PRO A 393 1.866 -18.726 -2.761 1.00 0.00 C ATOM 491 CD PRO A 393 2.678 -17.482 -2.540 1.00 0.00 C ATOM 0 HA PRO A 393 3.889 -19.359 -0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 393 2.107 -20.691 -1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 393 1.573 -19.492 -0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 393 2.095 -19.175 -3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 393 0.799 -18.502 -2.758 1.00 0.00 H new ATOM 0 HD2 PRO A 393 2.917 -16.983 -3.479 1.00 0.00 H new ATOM 0 HD3 PRO A 393 2.148 -16.758 -1.921 1.00 0.00 H new ATOM 499 N THR A 394 5.278 -21.134 -1.104 1.00 0.00 N ATOM 500 CA THR A 394 6.211 -22.143 -1.586 1.00 0.00 C ATOM 501 C THR A 394 6.056 -23.442 -0.805 1.00 0.00 C ATOM 502 O THR A 394 5.746 -23.428 0.386 1.00 0.00 O ATOM 503 CB THR A 394 7.670 -21.659 -1.469 1.00 0.00 C ATOM 504 OG1 THR A 394 8.129 -21.710 -0.112 1.00 0.00 O ATOM 505 CG2 THR A 394 7.822 -20.228 -1.973 1.00 0.00 C ATOM 0 H THR A 394 5.186 -21.094 -0.089 1.00 0.00 H new ATOM 0 HA THR A 394 5.978 -22.319 -2.636 1.00 0.00 H new ATOM 0 HB THR A 394 8.270 -22.330 -2.084 1.00 0.00 H new ATOM 0 HG1 THR A 394 8.799 -21.010 0.033 1.00 0.00 H new ATOM 0 HG21 THR A 394 8.862 -19.917 -1.877 1.00 0.00 H new ATOM 0 HG22 THR A 394 7.523 -20.177 -3.020 1.00 0.00 H new ATOM 0 HG23 THR A 394 7.189 -19.565 -1.383 1.00 0.00 H new ATOM 513 N ALA A 395 6.276 -24.566 -1.480 1.00 0.00 N ATOM 514 CA ALA A 395 6.161 -25.869 -0.837 1.00 0.00 C ATOM 515 C ALA A 395 6.801 -25.840 0.543 1.00 0.00 C ATOM 516 O ALA A 395 6.279 -26.417 1.497 1.00 0.00 O ATOM 517 CB ALA A 395 6.794 -26.957 -1.691 1.00 0.00 C ATOM 0 H ALA A 395 6.533 -24.601 -2.466 1.00 0.00 H new ATOM 0 HA ALA A 395 5.101 -26.098 -0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 395 6.694 -27.919 -1.188 1.00 0.00 H new ATOM 0 HB2 ALA A 395 6.292 -26.999 -2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 395 7.850 -26.734 -1.841 1.00 0.00 H new ATOM 523 N VAL A 396 7.936 -25.158 0.640 1.00 0.00 N ATOM 524 CA VAL A 396 8.655 -25.040 1.895 1.00 0.00 C ATOM 525 C VAL A 396 8.009 -23.995 2.797 1.00 0.00 C ATOM 526 O VAL A 396 7.959 -24.154 4.017 1.00 0.00 O ATOM 527 CB VAL A 396 10.125 -24.657 1.647 1.00 0.00 C ATOM 528 CG1 VAL A 396 10.693 -25.456 0.486 1.00 0.00 C ATOM 529 CG2 VAL A 396 10.261 -23.162 1.387 1.00 0.00 C ATOM 0 H VAL A 396 8.378 -24.677 -0.143 1.00 0.00 H new ATOM 0 HA VAL A 396 8.614 -26.011 2.389 1.00 0.00 H new ATOM 0 HB VAL A 396 10.696 -24.897 2.544 1.00 0.00 H new ATOM 0 HG11 VAL A 396 11.733 -25.173 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 396 10.638 -26.520 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 396 10.116 -25.249 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 396 11.309 -22.917 1.215 1.00 0.00 H new ATOM 0 HG22 VAL A 396 9.676 -22.891 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 396 9.896 -22.608 2.252 1.00 0.00 H new ATOM 539 N ASP A 397 7.522 -22.922 2.183 1.00 0.00 N ATOM 540 CA ASP A 397 6.883 -21.843 2.923 1.00 0.00 C ATOM 541 C ASP A 397 5.747 -21.222 2.115 1.00 0.00 C ATOM 542 O ASP A 397 5.981 -20.437 1.196 1.00 0.00 O ATOM 543 CB ASP A 397 7.911 -20.768 3.284 1.00 0.00 C ATOM 544 CG ASP A 397 8.687 -21.112 4.541 1.00 0.00 C ATOM 545 OD1 ASP A 397 8.061 -21.566 5.520 1.00 0.00 O ATOM 546 OD2 ASP A 397 9.923 -20.927 4.544 1.00 0.00 O ATOM 0 H ASP A 397 7.558 -22.777 1.174 1.00 0.00 H new ATOM 0 HA ASP A 397 6.465 -22.263 3.838 1.00 0.00 H new ATOM 0 HB2 ASP A 397 8.606 -20.640 2.454 1.00 0.00 H new ATOM 0 HB3 ASP A 397 7.402 -19.814 3.423 1.00 0.00 H new ATOM 551 N PRO A 398 4.496 -21.569 2.452 1.00 0.00 N ATOM 552 CA PRO A 398 3.315 -21.049 1.760 1.00 0.00 C ATOM 553 C PRO A 398 2.956 -19.632 2.199 1.00 0.00 C ATOM 554 O PRO A 398 1.795 -19.336 2.481 1.00 0.00 O ATOM 555 CB PRO A 398 2.219 -22.028 2.178 1.00 0.00 C ATOM 556 CG PRO A 398 2.628 -22.484 3.535 1.00 0.00 C ATOM 557 CD PRO A 398 4.136 -22.502 3.535 1.00 0.00 C ATOM 0 HA PRO A 398 3.467 -20.979 0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.242 -21.545 2.199 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.147 -22.864 1.483 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.247 -21.811 4.303 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.227 -23.474 3.750 1.00 0.00 H new ATOM 0 HD2 PRO A 398 4.540 -22.178 4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 398 4.525 -23.503 3.347 1.00 0.00 H new ATOM 565 N ASN A 399 3.959 -18.760 2.257 1.00 0.00 N ATOM 566 CA ASN A 399 3.743 -17.376 2.665 1.00 0.00 C ATOM 567 C ASN A 399 4.156 -16.403 1.565 1.00 0.00 C ATOM 568 O ASN A 399 4.968 -16.733 0.703 1.00 0.00 O ATOM 569 CB ASN A 399 4.525 -17.068 3.944 1.00 0.00 C ATOM 570 CG ASN A 399 4.698 -18.291 4.824 1.00 0.00 C ATOM 571 OD1 ASN A 399 3.742 -19.018 5.093 1.00 0.00 O ATOM 572 ND2 ASN A 399 5.924 -18.522 5.277 1.00 0.00 N ATOM 0 H ASN A 399 4.927 -18.987 2.027 1.00 0.00 H new ATOM 0 HA ASN A 399 2.677 -17.250 2.854 1.00 0.00 H new ATOM 0 HB2 ASN A 399 5.506 -16.672 3.681 1.00 0.00 H new ATOM 0 HB3 ASN A 399 4.007 -16.290 4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 399 6.103 -19.329 5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 399 6.687 -17.892 5.028 1.00 0.00 H new ATOM 579 N SER A 400 3.594 -15.201 1.613 1.00 0.00 N ATOM 580 CA SER A 400 3.897 -14.166 0.632 1.00 0.00 C ATOM 581 C SER A 400 4.194 -12.844 1.331 1.00 0.00 C ATOM 582 O SER A 400 3.690 -12.586 2.424 1.00 0.00 O ATOM 583 CB SER A 400 2.723 -13.985 -0.333 1.00 0.00 C ATOM 584 OG SER A 400 3.103 -13.219 -1.464 1.00 0.00 O ATOM 0 H SER A 400 2.922 -14.918 2.326 1.00 0.00 H new ATOM 0 HA SER A 400 4.776 -14.476 0.068 1.00 0.00 H new ATOM 0 HB2 SER A 400 2.361 -14.961 -0.656 1.00 0.00 H new ATOM 0 HB3 SER A 400 1.898 -13.493 0.182 1.00 0.00 H new ATOM 0 HG SER A 400 4.052 -12.986 -1.397 1.00 0.00 H new ATOM 590 N ILE A 401 5.002 -12.005 0.695 1.00 0.00 N ATOM 591 CA ILE A 401 5.342 -10.709 1.262 1.00 0.00 C ATOM 592 C ILE A 401 4.981 -9.587 0.295 1.00 0.00 C ATOM 593 O ILE A 401 5.056 -9.755 -0.922 1.00 0.00 O ATOM 594 CB ILE A 401 6.837 -10.613 1.631 1.00 0.00 C ATOM 595 CG1 ILE A 401 7.195 -11.687 2.671 1.00 0.00 C ATOM 596 CG2 ILE A 401 7.155 -9.217 2.150 1.00 0.00 C ATOM 597 CD1 ILE A 401 8.188 -11.232 3.722 1.00 0.00 C ATOM 0 H ILE A 401 5.432 -12.199 -0.210 1.00 0.00 H new ATOM 0 HA ILE A 401 4.760 -10.601 2.178 1.00 0.00 H new ATOM 0 HB ILE A 401 7.440 -10.791 0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 401 6.282 -12.013 3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 401 7.604 -12.555 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 401 8.212 -9.157 2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 401 6.928 -8.481 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 401 6.553 -9.012 3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 401 8.385 -12.050 4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 401 9.119 -10.934 3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 401 7.776 -10.384 4.269 1.00 0.00 H new ATOM 609 N VAL A 402 4.592 -8.443 0.845 1.00 0.00 N ATOM 610 CA VAL A 402 4.225 -7.303 0.015 1.00 0.00 C ATOM 611 C VAL A 402 4.597 -5.967 0.650 1.00 0.00 C ATOM 612 O VAL A 402 4.499 -5.786 1.864 1.00 0.00 O ATOM 613 CB VAL A 402 2.722 -7.308 -0.326 1.00 0.00 C ATOM 614 CG1 VAL A 402 2.290 -5.968 -0.907 1.00 0.00 C ATOM 615 CG2 VAL A 402 2.402 -8.438 -1.292 1.00 0.00 C ATOM 0 H VAL A 402 4.523 -8.281 1.850 1.00 0.00 H new ATOM 0 HA VAL A 402 4.801 -7.411 -0.904 1.00 0.00 H new ATOM 0 HB VAL A 402 2.164 -7.470 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.225 -5.998 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 402 2.481 -5.178 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 402 2.854 -5.767 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 402 1.337 -8.428 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 402 2.974 -8.305 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 402 2.666 -9.392 -0.836 1.00 0.00 H new ATOM 625 N GLU A 403 5.006 -5.034 -0.201 1.00 0.00 N ATOM 626 CA GLU A 403 5.381 -3.692 0.232 1.00 0.00 C ATOM 627 C GLU A 403 4.675 -2.648 -0.628 1.00 0.00 C ATOM 628 O GLU A 403 4.870 -2.602 -1.840 1.00 0.00 O ATOM 629 CB GLU A 403 6.896 -3.502 0.140 1.00 0.00 C ATOM 630 CG GLU A 403 7.674 -4.807 0.125 1.00 0.00 C ATOM 631 CD GLU A 403 9.092 -4.631 -0.383 1.00 0.00 C ATOM 632 OE1 GLU A 403 9.540 -3.472 -0.507 1.00 0.00 O ATOM 633 OE2 GLU A 403 9.757 -5.654 -0.655 1.00 0.00 O ATOM 0 H GLU A 403 5.087 -5.184 -1.207 1.00 0.00 H new ATOM 0 HA GLU A 403 5.076 -3.566 1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 403 7.129 -2.940 -0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 403 7.230 -2.900 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 403 7.701 -5.222 1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 403 7.153 -5.530 -0.503 1.00 0.00 H new ATOM 640 N CYS A 404 3.842 -1.818 -0.012 1.00 0.00 N ATOM 641 CA CYS A 404 3.118 -0.804 -0.762 1.00 0.00 C ATOM 642 C CYS A 404 4.001 0.398 -1.072 1.00 0.00 C ATOM 643 O CYS A 404 4.155 1.295 -0.243 1.00 0.00 O ATOM 644 CB CYS A 404 1.908 -0.338 0.043 1.00 0.00 C ATOM 645 SG CYS A 404 0.618 -1.588 0.244 1.00 0.00 S ATOM 0 H CYS A 404 3.654 -1.827 0.990 1.00 0.00 H new ATOM 0 HA CYS A 404 2.799 -1.250 -1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 404 2.244 -0.019 1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 404 1.477 0.536 -0.445 1.00 0.00 H new ATOM 0 HG CYS A 404 0.006 -1.766 -0.889 1.00 0.00 H new ATOM 651 N ARG A 405 4.583 0.414 -2.266 1.00 0.00 N ATOM 652 CA ARG A 405 5.450 1.510 -2.676 1.00 0.00 C ATOM 653 C ARG A 405 4.648 2.615 -3.347 1.00 0.00 C ATOM 654 O ARG A 405 3.418 2.562 -3.396 1.00 0.00 O ATOM 655 CB ARG A 405 6.538 1.003 -3.624 1.00 0.00 C ATOM 656 CG ARG A 405 6.688 -0.508 -3.624 1.00 0.00 C ATOM 657 CD ARG A 405 8.137 -0.926 -3.808 1.00 0.00 C ATOM 658 NE ARG A 405 8.594 -0.723 -5.180 1.00 0.00 N ATOM 659 CZ ARG A 405 9.873 -0.592 -5.519 1.00 0.00 C ATOM 660 NH1 ARG A 405 10.816 -0.648 -4.589 1.00 0.00 N ATOM 661 NH2 ARG A 405 10.210 -0.408 -6.788 1.00 0.00 N ATOM 0 H ARG A 405 4.470 -0.319 -2.966 1.00 0.00 H new ATOM 0 HA ARG A 405 5.921 1.920 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 405 6.311 1.337 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 405 7.490 1.454 -3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 405 6.309 -0.912 -2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 405 6.081 -0.934 -4.423 1.00 0.00 H new ATOM 0 HD2 ARG A 405 8.768 -0.355 -3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 405 8.248 -1.977 -3.540 1.00 0.00 H new ATOM 0 HE ARG A 405 7.893 -0.679 -5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 405 10.561 -0.792 -3.612 1.00 0.00 H new ATOM 0 HH12 ARG A 405 11.797 -0.547 -4.850 1.00 0.00 H new ATOM 0 HH21 ARG A 405 9.487 -0.367 -7.507 1.00 0.00 H new ATOM 0 HH22 ARG A 405 11.192 -0.308 -7.046 1.00 0.00 H new ATOM 675 N VAL A 406 5.349 3.617 -3.862 1.00 0.00 N ATOM 676 CA VAL A 406 4.698 4.735 -4.528 1.00 0.00 C ATOM 677 C VAL A 406 5.622 5.383 -5.557 1.00 0.00 C ATOM 678 O VAL A 406 6.840 5.216 -5.507 1.00 0.00 O ATOM 679 CB VAL A 406 4.227 5.797 -3.512 1.00 0.00 C ATOM 680 CG1 VAL A 406 2.716 5.742 -3.343 1.00 0.00 C ATOM 681 CG2 VAL A 406 4.915 5.602 -2.170 1.00 0.00 C ATOM 0 H VAL A 406 6.367 3.677 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 406 3.826 4.333 -5.044 1.00 0.00 H new ATOM 0 HB VAL A 406 4.498 6.779 -3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 406 2.403 6.498 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 406 2.235 5.933 -4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 406 2.426 4.755 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 406 4.568 6.362 -1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 406 4.677 4.612 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 406 5.994 5.692 -2.298 1.00 0.00 H new ATOM 691 N GLY A 407 5.026 6.113 -6.495 1.00 0.00 N ATOM 692 CA GLY A 407 5.795 6.771 -7.538 1.00 0.00 C ATOM 693 C GLY A 407 7.100 7.366 -7.040 1.00 0.00 C ATOM 694 O GLY A 407 8.047 7.522 -7.811 1.00 0.00 O ATOM 0 H GLY A 407 4.018 6.261 -6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 407 6.010 6.052 -8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 407 5.190 7.561 -7.982 1.00 0.00 H new ATOM 698 N ASP A 408 7.153 7.706 -5.757 1.00 0.00 N ATOM 699 CA ASP A 408 8.357 8.294 -5.177 1.00 0.00 C ATOM 700 C ASP A 408 9.435 7.238 -4.949 1.00 0.00 C ATOM 701 O ASP A 408 10.506 7.537 -4.421 1.00 0.00 O ATOM 702 CB ASP A 408 8.025 8.992 -3.857 1.00 0.00 C ATOM 703 CG ASP A 408 9.169 9.853 -3.357 1.00 0.00 C ATOM 704 OD1 ASP A 408 10.179 9.978 -4.083 1.00 0.00 O ATOM 705 OD2 ASP A 408 9.056 10.402 -2.241 1.00 0.00 O ATOM 0 H ASP A 408 6.381 7.586 -5.101 1.00 0.00 H new ATOM 0 HA ASP A 408 8.743 9.028 -5.884 1.00 0.00 H new ATOM 0 HB2 ASP A 408 7.138 9.612 -3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 408 7.781 8.243 -3.104 1.00 0.00 H new ATOM 710 N GLY A 409 9.148 6.001 -5.344 1.00 0.00 N ATOM 711 CA GLY A 409 10.109 4.928 -5.166 1.00 0.00 C ATOM 712 C GLY A 409 10.270 4.540 -3.709 1.00 0.00 C ATOM 713 O GLY A 409 11.116 3.714 -3.368 1.00 0.00 O ATOM 0 H GLY A 409 8.270 5.723 -5.783 1.00 0.00 H new ATOM 0 HA2 GLY A 409 9.790 4.058 -5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 409 11.074 5.237 -5.567 1.00 0.00 H new ATOM 717 N THR A 410 9.454 5.144 -2.852 1.00 0.00 N ATOM 718 CA THR A 410 9.498 4.869 -1.424 1.00 0.00 C ATOM 719 C THR A 410 8.389 3.905 -1.019 1.00 0.00 C ATOM 720 O THR A 410 7.322 3.878 -1.630 1.00 0.00 O ATOM 721 CB THR A 410 9.351 6.165 -0.604 1.00 0.00 C ATOM 722 OG1 THR A 410 9.808 7.305 -1.342 1.00 0.00 O ATOM 723 CG2 THR A 410 10.140 6.082 0.693 1.00 0.00 C ATOM 0 H THR A 410 8.751 5.831 -3.125 1.00 0.00 H new ATOM 0 HA THR A 410 10.468 4.417 -1.215 1.00 0.00 H new ATOM 0 HB THR A 410 8.290 6.279 -0.383 1.00 0.00 H new ATOM 0 HG1 THR A 410 9.701 8.112 -0.797 1.00 0.00 H new ATOM 0 HG21 THR A 410 10.019 7.010 1.252 1.00 0.00 H new ATOM 0 HG22 THR A 410 9.772 5.248 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 410 11.195 5.929 0.468 1.00 0.00 H new ATOM 731 N VAL A 411 8.646 3.123 0.019 1.00 0.00 N ATOM 732 CA VAL A 411 7.665 2.165 0.514 1.00 0.00 C ATOM 733 C VAL A 411 6.903 2.742 1.701 1.00 0.00 C ATOM 734 O VAL A 411 7.474 2.948 2.771 1.00 0.00 O ATOM 735 CB VAL A 411 8.334 0.846 0.939 1.00 0.00 C ATOM 736 CG1 VAL A 411 7.284 -0.220 1.215 1.00 0.00 C ATOM 737 CG2 VAL A 411 9.314 0.377 -0.124 1.00 0.00 C ATOM 0 H VAL A 411 9.525 3.132 0.536 1.00 0.00 H new ATOM 0 HA VAL A 411 6.972 1.961 -0.302 1.00 0.00 H new ATOM 0 HB VAL A 411 8.891 1.022 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 411 7.775 -1.146 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 411 6.626 0.117 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 411 6.698 -0.395 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 411 9.777 -0.557 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 411 8.784 0.217 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 411 10.085 1.134 -0.267 1.00 0.00 H new ATOM 747 N LEU A 412 5.613 3.005 1.510 1.00 0.00 N ATOM 748 CA LEU A 412 4.798 3.561 2.582 1.00 0.00 C ATOM 749 C LEU A 412 4.234 2.460 3.467 1.00 0.00 C ATOM 750 O LEU A 412 4.078 2.647 4.674 1.00 0.00 O ATOM 751 CB LEU A 412 3.662 4.441 2.033 1.00 0.00 C ATOM 752 CG LEU A 412 2.874 3.889 0.844 1.00 0.00 C ATOM 753 CD1 LEU A 412 1.749 2.984 1.318 1.00 0.00 C ATOM 754 CD2 LEU A 412 2.312 5.036 0.020 1.00 0.00 C ATOM 0 H LEU A 412 5.116 2.844 0.634 1.00 0.00 H new ATOM 0 HA LEU A 412 5.449 4.192 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 412 2.961 4.635 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 412 4.087 5.402 1.742 1.00 0.00 H new ATOM 0 HG LEU A 412 3.549 3.299 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 412 1.201 2.602 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 412 2.166 2.149 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 412 1.071 3.550 1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 412 1.752 4.636 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 412 1.650 5.640 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 412 3.130 5.655 -0.347 1.00 0.00 H new ATOM 766 N GLY A 413 3.920 1.313 2.872 1.00 0.00 N ATOM 767 CA GLY A 413 3.368 0.218 3.647 1.00 0.00 C ATOM 768 C GLY A 413 4.032 -1.113 3.359 1.00 0.00 C ATOM 769 O GLY A 413 4.798 -1.246 2.406 1.00 0.00 O ATOM 0 H GLY A 413 4.037 1.124 1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 413 3.470 0.445 4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 413 2.301 0.137 3.440 1.00 0.00 H new ATOM 773 N THR A 414 3.729 -2.097 4.195 1.00 0.00 N ATOM 774 CA THR A 414 4.282 -3.437 4.055 1.00 0.00 C ATOM 775 C THR A 414 3.437 -4.435 4.835 1.00 0.00 C ATOM 776 O THR A 414 2.919 -4.112 5.903 1.00 0.00 O ATOM 777 CB THR A 414 5.737 -3.506 4.557 1.00 0.00 C ATOM 778 OG1 THR A 414 6.534 -2.457 3.992 1.00 0.00 O ATOM 779 CG2 THR A 414 6.370 -4.840 4.201 1.00 0.00 C ATOM 0 H THR A 414 3.095 -1.989 4.987 1.00 0.00 H new ATOM 0 HA THR A 414 4.271 -3.687 2.994 1.00 0.00 H new ATOM 0 HB THR A 414 5.705 -3.391 5.640 1.00 0.00 H new ATOM 0 HG1 THR A 414 6.133 -2.159 3.149 1.00 0.00 H new ATOM 0 HG21 THR A 414 7.397 -4.864 4.566 1.00 0.00 H new ATOM 0 HG22 THR A 414 5.801 -5.647 4.663 1.00 0.00 H new ATOM 0 HG23 THR A 414 6.367 -4.967 3.118 1.00 0.00 H new ATOM 787 N GLY A 415 3.297 -5.648 4.311 1.00 0.00 N ATOM 788 CA GLY A 415 2.511 -6.654 4.997 1.00 0.00 C ATOM 789 C GLY A 415 2.689 -8.036 4.400 1.00 0.00 C ATOM 790 O GLY A 415 2.836 -8.179 3.187 1.00 0.00 O ATOM 0 H GLY A 415 3.711 -5.950 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 415 2.795 -6.677 6.049 1.00 0.00 H new ATOM 0 HA3 GLY A 415 1.457 -6.377 4.957 1.00 0.00 H new ATOM 794 N VAL A 416 2.670 -9.055 5.254 1.00 0.00 N ATOM 795 CA VAL A 416 2.821 -10.431 4.808 1.00 0.00 C ATOM 796 C VAL A 416 1.485 -11.167 4.900 1.00 0.00 C ATOM 797 O VAL A 416 0.678 -10.897 5.789 1.00 0.00 O ATOM 798 CB VAL A 416 3.890 -11.173 5.647 1.00 0.00 C ATOM 799 CG1 VAL A 416 3.599 -12.665 5.730 1.00 0.00 C ATOM 800 CG2 VAL A 416 5.277 -10.936 5.071 1.00 0.00 C ATOM 0 H VAL A 416 2.551 -8.950 6.262 1.00 0.00 H new ATOM 0 HA VAL A 416 3.150 -10.414 3.769 1.00 0.00 H new ATOM 0 HB VAL A 416 3.854 -10.770 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 416 4.370 -13.153 6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 416 2.626 -12.821 6.197 1.00 0.00 H new ATOM 0 HG13 VAL A 416 3.592 -13.091 4.727 1.00 0.00 H new ATOM 0 HG21 VAL A 416 6.016 -11.465 5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 416 5.313 -11.305 4.046 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.498 -9.869 5.081 1.00 0.00 H new ATOM 810 N GLY A 417 1.261 -12.096 3.980 1.00 0.00 N ATOM 811 CA GLY A 417 0.023 -12.855 3.984 1.00 0.00 C ATOM 812 C GLY A 417 0.148 -14.171 3.245 1.00 0.00 C ATOM 813 O GLY A 417 1.089 -14.370 2.477 1.00 0.00 O ATOM 0 H GLY A 417 1.911 -12.338 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 417 -0.278 -13.047 5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 417 -0.767 -12.259 3.527 1.00 0.00 H new ATOM 817 N ARG A 418 -0.804 -15.071 3.470 1.00 0.00 N ATOM 818 CA ARG A 418 -0.790 -16.369 2.808 1.00 0.00 C ATOM 819 C ARG A 418 -0.410 -16.203 1.344 1.00 0.00 C ATOM 820 O ARG A 418 0.372 -16.980 0.797 1.00 0.00 O ATOM 821 CB ARG A 418 -2.161 -17.034 2.914 1.00 0.00 C ATOM 822 CG ARG A 418 -3.302 -16.122 2.504 1.00 0.00 C ATOM 823 CD ARG A 418 -4.507 -16.298 3.412 1.00 0.00 C ATOM 824 NE ARG A 418 -5.021 -17.664 3.380 1.00 0.00 N ATOM 825 CZ ARG A 418 -5.861 -18.113 2.452 1.00 0.00 C ATOM 826 NH1 ARG A 418 -6.274 -17.307 1.483 1.00 0.00 N ATOM 827 NH2 ARG A 418 -6.286 -19.369 2.491 1.00 0.00 N ATOM 0 H ARG A 418 -1.591 -14.926 4.103 1.00 0.00 H new ATOM 0 HA ARG A 418 -0.052 -17.003 3.300 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -2.174 -17.926 2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -2.319 -17.364 3.941 1.00 0.00 H new ATOM 0 HG2 ARG A 418 -2.970 -15.084 2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -3.587 -16.334 1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 418 -4.232 -16.038 4.434 1.00 0.00 H new ATOM 0 HD3 ARG A 418 -5.294 -15.607 3.108 1.00 0.00 H new ATOM 0 HE ARG A 418 -4.719 -18.310 4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -5.947 -16.341 1.449 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -6.918 -17.653 0.772 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -5.969 -19.992 3.234 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -6.930 -19.712 1.778 1.00 0.00 H new ATOM 841 N ASN A 419 -0.969 -15.173 0.726 1.00 0.00 N ATOM 842 CA ASN A 419 -0.700 -14.873 -0.672 1.00 0.00 C ATOM 843 C ASN A 419 -0.370 -13.394 -0.841 1.00 0.00 C ATOM 844 O ASN A 419 -0.425 -12.623 0.117 1.00 0.00 O ATOM 845 CB ASN A 419 -1.905 -15.243 -1.538 1.00 0.00 C ATOM 846 CG ASN A 419 -1.500 -15.725 -2.916 1.00 0.00 C ATOM 847 OD1 ASN A 419 -0.494 -16.418 -3.073 1.00 0.00 O ATOM 848 ND2 ASN A 419 -2.282 -15.360 -3.925 1.00 0.00 N ATOM 0 H ASN A 419 -1.617 -14.526 1.176 1.00 0.00 H new ATOM 0 HA ASN A 419 0.157 -15.464 -0.994 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -2.482 -16.021 -1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -2.558 -14.376 -1.637 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -2.059 -15.655 -4.876 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -3.106 -14.785 -3.749 1.00 0.00 H new ATOM 855 N ILE A 420 -0.026 -13.004 -2.061 1.00 0.00 N ATOM 856 CA ILE A 420 0.310 -11.616 -2.348 1.00 0.00 C ATOM 857 C ILE A 420 -0.847 -10.689 -1.996 1.00 0.00 C ATOM 858 O ILE A 420 -0.662 -9.481 -1.840 1.00 0.00 O ATOM 859 CB ILE A 420 0.676 -11.429 -3.832 1.00 0.00 C ATOM 860 CG1 ILE A 420 2.035 -12.066 -4.122 1.00 0.00 C ATOM 861 CG2 ILE A 420 0.681 -9.951 -4.197 1.00 0.00 C ATOM 862 CD1 ILE A 420 1.936 -13.483 -4.642 1.00 0.00 C ATOM 0 H ILE A 420 0.028 -13.628 -2.866 1.00 0.00 H new ATOM 0 HA ILE A 420 1.173 -11.360 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 420 -0.076 -11.926 -4.445 1.00 0.00 H new ATOM 0 HG12 ILE A 420 2.566 -11.455 -4.852 1.00 0.00 H new ATOM 0 HG13 ILE A 420 2.632 -12.063 -3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 420 0.942 -9.837 -5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.308 -9.529 -4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 420 1.413 -9.427 -3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 420 2.937 -13.874 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 420 1.433 -14.107 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.367 -13.491 -5.571 1.00 0.00 H new ATOM 874 N LYS A 421 -2.036 -11.261 -1.869 1.00 0.00 N ATOM 875 CA LYS A 421 -3.208 -10.479 -1.530 1.00 0.00 C ATOM 876 C LYS A 421 -3.241 -10.177 -0.045 1.00 0.00 C ATOM 877 O LYS A 421 -3.232 -9.018 0.359 1.00 0.00 O ATOM 878 CB LYS A 421 -4.475 -11.209 -1.940 1.00 0.00 C ATOM 879 CG LYS A 421 -5.732 -10.516 -1.469 1.00 0.00 C ATOM 880 CD LYS A 421 -5.595 -9.007 -1.567 1.00 0.00 C ATOM 881 CE LYS A 421 -5.434 -8.564 -3.009 1.00 0.00 C ATOM 882 NZ LYS A 421 -6.724 -8.114 -3.602 1.00 0.00 N ATOM 0 H LYS A 421 -2.210 -12.258 -1.995 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.154 -9.537 -2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.501 -11.299 -3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.452 -12.221 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.580 -10.847 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.942 -10.799 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.474 -8.530 -1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -4.734 -8.679 -0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -4.709 -7.752 -3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -5.032 -9.388 -3.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -6.785 -8.438 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.515 -8.513 -3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -6.775 -7.076 -3.575 1.00 0.00 H new ATOM 896 N ILE A 422 -3.262 -11.215 0.773 1.00 0.00 N ATOM 897 CA ILE A 422 -3.281 -11.015 2.209 1.00 0.00 C ATOM 898 C ILE A 422 -2.116 -10.146 2.612 1.00 0.00 C ATOM 899 O ILE A 422 -2.229 -9.300 3.500 1.00 0.00 O ATOM 900 CB ILE A 422 -3.236 -12.344 2.969 1.00 0.00 C ATOM 901 CG1 ILE A 422 -4.486 -13.173 2.664 1.00 0.00 C ATOM 902 CG2 ILE A 422 -3.113 -12.093 4.466 1.00 0.00 C ATOM 903 CD1 ILE A 422 -5.672 -12.364 2.154 1.00 0.00 C ATOM 0 H ILE A 422 -3.266 -12.190 0.473 1.00 0.00 H new ATOM 0 HA ILE A 422 -4.217 -10.522 2.470 1.00 0.00 H new ATOM 0 HB ILE A 422 -2.361 -12.905 2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 422 -4.232 -13.930 1.922 1.00 0.00 H new ATOM 0 HG13 ILE A 422 -4.785 -13.702 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 422 -3.082 -13.046 4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 422 -2.197 -11.537 4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 422 -3.971 -11.516 4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -6.513 -13.031 1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -5.957 -11.625 2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -5.396 -11.856 1.230 1.00 0.00 H new ATOM 915 N ALA A 423 -1.004 -10.328 1.918 1.00 0.00 N ATOM 916 CA ALA A 423 0.167 -9.522 2.168 1.00 0.00 C ATOM 917 C ALA A 423 -0.150 -8.093 1.750 1.00 0.00 C ATOM 918 O ALA A 423 -0.039 -7.155 2.538 1.00 0.00 O ATOM 919 CB ALA A 423 1.374 -10.058 1.411 1.00 0.00 C ATOM 0 H ALA A 423 -0.893 -11.025 1.182 1.00 0.00 H new ATOM 0 HA ALA A 423 0.421 -9.554 3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 423 2.241 -9.431 1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 423 1.580 -11.080 1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 423 1.166 -10.048 0.341 1.00 0.00 H new ATOM 925 N GLY A 424 -0.573 -7.953 0.494 1.00 0.00 N ATOM 926 CA GLY A 424 -0.940 -6.653 -0.031 1.00 0.00 C ATOM 927 C GLY A 424 -1.990 -5.981 0.828 1.00 0.00 C ATOM 928 O GLY A 424 -1.868 -4.802 1.155 1.00 0.00 O ATOM 0 H GLY A 424 -0.667 -8.722 -0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -0.055 -6.019 -0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -1.317 -6.764 -1.048 1.00 0.00 H new ATOM 932 N ILE A 425 -3.014 -6.740 1.223 1.00 0.00 N ATOM 933 CA ILE A 425 -4.059 -6.200 2.081 1.00 0.00 C ATOM 934 C ILE A 425 -3.426 -5.653 3.353 1.00 0.00 C ATOM 935 O ILE A 425 -3.523 -4.465 3.658 1.00 0.00 O ATOM 936 CB ILE A 425 -5.103 -7.267 2.473 1.00 0.00 C ATOM 937 CG1 ILE A 425 -5.832 -7.796 1.239 1.00 0.00 C ATOM 938 CG2 ILE A 425 -6.099 -6.690 3.468 1.00 0.00 C ATOM 939 CD1 ILE A 425 -6.134 -9.274 1.308 1.00 0.00 C ATOM 0 H ILE A 425 -3.138 -7.719 0.964 1.00 0.00 H new ATOM 0 HA ILE A 425 -4.569 -5.415 1.523 1.00 0.00 H new ATOM 0 HB ILE A 425 -4.579 -8.100 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -6.766 -7.247 1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -5.226 -7.598 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 425 -6.830 -7.453 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 425 -5.571 -6.363 4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 425 -6.611 -5.839 3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -6.652 -9.582 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -5.202 -9.832 1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 425 -6.766 -9.476 2.173 1.00 0.00 H new ATOM 951 N ARG A 426 -2.774 -6.552 4.087 1.00 0.00 N ATOM 952 CA ARG A 426 -2.108 -6.205 5.336 1.00 0.00 C ATOM 953 C ARG A 426 -1.178 -5.009 5.163 1.00 0.00 C ATOM 954 O ARG A 426 -1.080 -4.161 6.047 1.00 0.00 O ATOM 955 CB ARG A 426 -1.323 -7.405 5.860 1.00 0.00 C ATOM 956 CG ARG A 426 -1.569 -7.697 7.331 1.00 0.00 C ATOM 957 CD ARG A 426 -0.266 -7.771 8.112 1.00 0.00 C ATOM 958 NE ARG A 426 -0.398 -7.200 9.448 1.00 0.00 N ATOM 959 CZ ARG A 426 -0.897 -7.862 10.486 1.00 0.00 C ATOM 960 NH1 ARG A 426 -1.314 -9.113 10.339 1.00 0.00 N ATOM 961 NH2 ARG A 426 -0.982 -7.275 11.672 1.00 0.00 N ATOM 0 H ARG A 426 -2.694 -7.536 3.833 1.00 0.00 H new ATOM 0 HA ARG A 426 -2.876 -5.929 6.058 1.00 0.00 H new ATOM 0 HB2 ARG A 426 -1.587 -8.285 5.274 1.00 0.00 H new ATOM 0 HB3 ARG A 426 -0.259 -7.228 5.706 1.00 0.00 H new ATOM 0 HG2 ARG A 426 -2.205 -6.920 7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 426 -2.108 -8.639 7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 426 0.051 -8.811 8.192 1.00 0.00 H new ATOM 0 HD3 ARG A 426 0.515 -7.241 7.566 1.00 0.00 H new ATOM 0 HE ARG A 426 -0.090 -6.239 9.593 1.00 0.00 H new ATOM 0 HH11 ARG A 426 -1.252 -9.568 9.428 1.00 0.00 H new ATOM 0 HH12 ARG A 426 -1.697 -9.620 11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 426 -0.664 -6.313 11.789 1.00 0.00 H new ATOM 0 HH22 ARG A 426 -1.366 -7.786 12.467 1.00 0.00 H new ATOM 975 N ALA A 427 -0.492 -4.946 4.026 1.00 0.00 N ATOM 976 CA ALA A 427 0.430 -3.846 3.751 1.00 0.00 C ATOM 977 C ALA A 427 -0.337 -2.554 3.488 1.00 0.00 C ATOM 978 O ALA A 427 -0.178 -1.562 4.199 1.00 0.00 O ATOM 979 CB ALA A 427 1.329 -4.170 2.567 1.00 0.00 C ATOM 0 H ALA A 427 -0.556 -5.640 3.282 1.00 0.00 H new ATOM 0 HA ALA A 427 1.057 -3.709 4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 427 2.005 -3.335 2.384 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.910 -5.066 2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.717 -4.342 1.682 1.00 0.00 H new ATOM 985 N ALA A 428 -1.169 -2.579 2.456 1.00 0.00 N ATOM 986 CA ALA A 428 -1.959 -1.413 2.096 1.00 0.00 C ATOM 987 C ALA A 428 -2.506 -0.797 3.366 1.00 0.00 C ATOM 988 O ALA A 428 -2.330 0.390 3.632 1.00 0.00 O ATOM 989 CB ALA A 428 -3.093 -1.783 1.153 1.00 0.00 C ATOM 0 H ALA A 428 -1.313 -3.391 1.856 1.00 0.00 H new ATOM 0 HA ALA A 428 -1.326 -0.696 1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -3.665 -0.889 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -2.681 -2.217 0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -3.747 -2.508 1.637 1.00 0.00 H new ATOM 995 N GLU A 429 -3.128 -1.650 4.163 1.00 0.00 N ATOM 996 CA GLU A 429 -3.681 -1.266 5.446 1.00 0.00 C ATOM 997 C GLU A 429 -2.568 -0.794 6.370 1.00 0.00 C ATOM 998 O GLU A 429 -2.671 0.237 7.018 1.00 0.00 O ATOM 999 CB GLU A 429 -4.379 -2.478 6.046 1.00 0.00 C ATOM 1000 CG GLU A 429 -5.802 -2.205 6.502 1.00 0.00 C ATOM 1001 CD GLU A 429 -5.907 -2.018 8.003 1.00 0.00 C ATOM 1002 OE1 GLU A 429 -5.418 -2.895 8.747 1.00 0.00 O ATOM 1003 OE2 GLU A 429 -6.477 -0.994 8.436 1.00 0.00 O ATOM 0 H GLU A 429 -3.263 -2.635 3.934 1.00 0.00 H new ATOM 0 HA GLU A 429 -4.392 -0.450 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 429 -4.392 -3.280 5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 429 -3.798 -2.836 6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 429 -6.175 -1.312 6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 429 -6.443 -3.032 6.197 1.00 0.00 H new ATOM 1010 N ASN A 430 -1.506 -1.580 6.408 1.00 0.00 N ATOM 1011 CA ASN A 430 -0.356 -1.261 7.244 1.00 0.00 C ATOM 1012 C ASN A 430 0.013 0.196 7.050 1.00 0.00 C ATOM 1013 O ASN A 430 0.041 0.976 8.002 1.00 0.00 O ATOM 1014 CB ASN A 430 0.826 -2.150 6.897 1.00 0.00 C ATOM 1015 CG ASN A 430 2.106 -1.705 7.577 1.00 0.00 C ATOM 1016 OD1 ASN A 430 2.534 -2.297 8.567 1.00 0.00 O ATOM 1017 ND2 ASN A 430 2.721 -0.653 7.050 1.00 0.00 N ATOM 0 H ASN A 430 -1.414 -2.443 5.872 1.00 0.00 H new ATOM 0 HA ASN A 430 -0.617 -1.437 8.288 1.00 0.00 H new ATOM 0 HB2 ASN A 430 0.602 -3.177 7.187 1.00 0.00 H new ATOM 0 HB3 ASN A 430 0.973 -2.149 5.817 1.00 0.00 H new ATOM 0 HD21 ASN A 430 3.584 -0.305 7.467 1.00 0.00 H new ATOM 0 HD22 ASN A 430 2.330 -0.193 6.228 1.00 0.00 H new ATOM 1024 N ALA A 431 0.255 0.564 5.804 1.00 0.00 N ATOM 1025 CA ALA A 431 0.574 1.939 5.475 1.00 0.00 C ATOM 1026 C ALA A 431 -0.630 2.803 5.790 1.00 0.00 C ATOM 1027 O ALA A 431 -0.513 3.897 6.343 1.00 0.00 O ATOM 1028 CB ALA A 431 0.943 2.074 4.010 1.00 0.00 C ATOM 0 H ALA A 431 0.236 -0.070 5.006 1.00 0.00 H new ATOM 0 HA ALA A 431 1.432 2.261 6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 431 1.178 3.115 3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 431 1.812 1.452 3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 431 0.105 1.752 3.392 1.00 0.00 H new ATOM 1034 N LEU A 432 -1.792 2.277 5.432 1.00 0.00 N ATOM 1035 CA LEU A 432 -3.065 2.941 5.653 1.00 0.00 C ATOM 1036 C LEU A 432 -3.256 3.320 7.110 1.00 0.00 C ATOM 1037 O LEU A 432 -3.750 4.403 7.427 1.00 0.00 O ATOM 1038 CB LEU A 432 -4.175 1.987 5.244 1.00 0.00 C ATOM 1039 CG LEU A 432 -5.548 2.603 5.053 1.00 0.00 C ATOM 1040 CD1 LEU A 432 -6.375 1.700 4.160 1.00 0.00 C ATOM 1041 CD2 LEU A 432 -6.232 2.813 6.396 1.00 0.00 C ATOM 0 H LEU A 432 -1.877 1.369 4.976 1.00 0.00 H new ATOM 0 HA LEU A 432 -3.087 3.857 5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -3.884 1.502 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -4.252 1.206 6.000 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.446 3.579 4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -7.364 2.136 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -5.882 1.594 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -6.474 0.720 4.626 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -7.215 3.256 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -6.343 1.854 6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -5.628 3.480 7.011 1.00 0.00 H new ATOM 1053 N ARG A 433 -2.881 2.407 7.992 1.00 0.00 N ATOM 1054 CA ARG A 433 -3.027 2.619 9.419 1.00 0.00 C ATOM 1055 C ARG A 433 -2.271 3.861 9.878 1.00 0.00 C ATOM 1056 O ARG A 433 -2.474 4.347 10.990 1.00 0.00 O ATOM 1057 CB ARG A 433 -2.563 1.372 10.164 1.00 0.00 C ATOM 1058 CG ARG A 433 -3.585 0.251 10.110 1.00 0.00 C ATOM 1059 CD ARG A 433 -2.925 -1.098 9.896 1.00 0.00 C ATOM 1060 NE ARG A 433 -2.517 -1.716 11.156 1.00 0.00 N ATOM 1061 CZ ARG A 433 -3.370 -2.211 12.046 1.00 0.00 C ATOM 1062 NH1 ARG A 433 -4.676 -2.159 11.820 1.00 0.00 N ATOM 1063 NH2 ARG A 433 -2.917 -2.759 13.165 1.00 0.00 N ATOM 0 H ARG A 433 -2.471 1.508 7.740 1.00 0.00 H new ATOM 0 HA ARG A 433 -4.079 2.793 9.646 1.00 0.00 H new ATOM 0 HB2 ARG A 433 -1.623 1.024 9.735 1.00 0.00 H new ATOM 0 HB3 ARG A 433 -2.363 1.627 11.205 1.00 0.00 H new ATOM 0 HG2 ARG A 433 -4.156 0.234 11.038 1.00 0.00 H new ATOM 0 HG3 ARG A 433 -4.293 0.442 9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 433 -3.616 -1.761 9.375 1.00 0.00 H new ATOM 0 HD3 ARG A 433 -2.053 -0.977 9.253 1.00 0.00 H new ATOM 0 HE ARG A 433 -1.520 -1.770 11.364 1.00 0.00 H new ATOM 0 HH11 ARG A 433 -5.028 -1.738 10.960 1.00 0.00 H new ATOM 0 HH12 ARG A 433 -5.328 -2.540 12.506 1.00 0.00 H new ATOM 0 HH21 ARG A 433 -1.913 -2.801 13.343 1.00 0.00 H new ATOM 0 HH22 ARG A 433 -3.572 -3.139 13.848 1.00 0.00 H new ATOM 1077 N ASP A 434 -1.417 4.384 9.005 1.00 0.00 N ATOM 1078 CA ASP A 434 -0.652 5.583 9.309 1.00 0.00 C ATOM 1079 C ASP A 434 -1.365 6.821 8.768 1.00 0.00 C ATOM 1080 O ASP A 434 -1.403 7.050 7.562 1.00 0.00 O ATOM 1081 CB ASP A 434 0.749 5.487 8.706 1.00 0.00 C ATOM 1082 CG ASP A 434 1.741 4.826 9.644 1.00 0.00 C ATOM 1083 OD1 ASP A 434 1.527 4.884 10.873 1.00 0.00 O ATOM 1084 OD2 ASP A 434 2.733 4.251 9.149 1.00 0.00 O ATOM 0 H ASP A 434 -1.238 3.994 8.080 1.00 0.00 H new ATOM 0 HA ASP A 434 -0.566 5.670 10.392 1.00 0.00 H new ATOM 0 HB2 ASP A 434 0.702 4.922 7.775 1.00 0.00 H new ATOM 0 HB3 ASP A 434 1.102 6.487 8.455 1.00 0.00 H new ATOM 1089 N LYS A 435 -1.922 7.620 9.665 1.00 0.00 N ATOM 1090 CA LYS A 435 -2.621 8.839 9.263 1.00 0.00 C ATOM 1091 C LYS A 435 -1.641 9.829 8.653 1.00 0.00 C ATOM 1092 O LYS A 435 -1.791 10.239 7.501 1.00 0.00 O ATOM 1093 CB LYS A 435 -3.345 9.475 10.453 1.00 0.00 C ATOM 1094 CG LYS A 435 -2.571 9.399 11.759 1.00 0.00 C ATOM 1095 CD LYS A 435 -3.334 8.618 12.817 1.00 0.00 C ATOM 1096 CE LYS A 435 -3.954 7.356 12.241 1.00 0.00 C ATOM 1097 NZ LYS A 435 -3.560 6.142 13.009 1.00 0.00 N ATOM 0 H LYS A 435 -1.906 7.451 10.671 1.00 0.00 H new ATOM 0 HA LYS A 435 -3.368 8.572 8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -3.550 10.521 10.224 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -4.309 8.983 10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -1.605 8.926 11.583 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -2.371 10.407 12.123 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -2.660 8.354 13.632 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -4.116 9.247 13.241 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -5.040 7.451 12.244 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -3.647 7.243 11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -3.184 5.425 12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -2.829 6.394 13.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -4.391 5.759 13.503 1.00 0.00 H new ATOM 1111 N LYS A 436 -0.649 10.223 9.440 1.00 0.00 N ATOM 1112 CA LYS A 436 0.344 11.185 8.984 1.00 0.00 C ATOM 1113 C LYS A 436 0.676 10.933 7.526 1.00 0.00 C ATOM 1114 O LYS A 436 0.647 11.853 6.718 1.00 0.00 O ATOM 1115 CB LYS A 436 1.609 11.096 9.836 1.00 0.00 C ATOM 1116 CG LYS A 436 2.273 12.440 10.086 1.00 0.00 C ATOM 1117 CD LYS A 436 1.271 13.474 10.572 1.00 0.00 C ATOM 1118 CE LYS A 436 1.810 14.258 11.757 1.00 0.00 C ATOM 1119 NZ LYS A 436 3.258 14.569 11.605 1.00 0.00 N ATOM 0 H LYS A 436 -0.511 9.892 10.395 1.00 0.00 H new ATOM 0 HA LYS A 436 -0.070 12.188 9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 436 1.360 10.640 10.794 1.00 0.00 H new ATOM 0 HB3 LYS A 436 2.322 10.434 9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 436 3.065 12.324 10.826 1.00 0.00 H new ATOM 0 HG3 LYS A 436 2.743 12.791 9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 436 1.031 14.160 9.759 1.00 0.00 H new ATOM 0 HD3 LYS A 436 0.343 12.978 10.855 1.00 0.00 H new ATOM 0 HE2 LYS A 436 1.249 15.186 11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 436 1.656 13.685 12.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 3.474 15.462 12.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 3.823 13.802 12.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 3.489 14.661 10.595 1.00 0.00 H new ATOM 1133 N MET A 437 0.977 9.690 7.186 1.00 0.00 N ATOM 1134 CA MET A 437 1.289 9.349 5.807 1.00 0.00 C ATOM 1135 C MET A 437 0.070 9.612 4.926 1.00 0.00 C ATOM 1136 O MET A 437 0.169 10.270 3.895 1.00 0.00 O ATOM 1137 CB MET A 437 1.752 7.890 5.696 1.00 0.00 C ATOM 1138 CG MET A 437 0.653 6.896 5.350 1.00 0.00 C ATOM 1139 SD MET A 437 1.304 5.350 4.690 1.00 0.00 S ATOM 1140 CE MET A 437 2.477 4.908 5.968 1.00 0.00 C ATOM 0 H MET A 437 1.012 8.907 7.839 1.00 0.00 H new ATOM 0 HA MET A 437 2.110 9.977 5.462 1.00 0.00 H new ATOM 0 HB2 MET A 437 2.531 7.828 4.936 1.00 0.00 H new ATOM 0 HB3 MET A 437 2.205 7.594 6.642 1.00 0.00 H new ATOM 0 HG2 MET A 437 0.063 6.687 6.242 1.00 0.00 H new ATOM 0 HG3 MET A 437 -0.021 7.344 4.620 1.00 0.00 H new ATOM 0 HE1 MET A 437 3.479 4.862 5.542 1.00 0.00 H new ATOM 0 HE2 MET A 437 2.453 5.658 6.759 1.00 0.00 H new ATOM 0 HE3 MET A 437 2.214 3.935 6.382 1.00 0.00 H new ATOM 1150 N LEU A 438 -1.084 9.107 5.357 1.00 0.00 N ATOM 1151 CA LEU A 438 -2.328 9.307 4.619 1.00 0.00 C ATOM 1152 C LEU A 438 -2.476 10.782 4.255 1.00 0.00 C ATOM 1153 O LEU A 438 -2.502 11.158 3.082 1.00 0.00 O ATOM 1154 CB LEU A 438 -3.521 8.889 5.483 1.00 0.00 C ATOM 1155 CG LEU A 438 -3.897 7.403 5.463 1.00 0.00 C ATOM 1156 CD1 LEU A 438 -2.748 6.540 4.964 1.00 0.00 C ATOM 1157 CD2 LEU A 438 -4.336 6.959 6.852 1.00 0.00 C ATOM 0 H LEU A 438 -1.183 8.558 6.211 1.00 0.00 H new ATOM 0 HA LEU A 438 -2.302 8.701 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -3.311 9.173 6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -4.390 9.464 5.165 1.00 0.00 H new ATOM 0 HG LEU A 438 -4.727 7.274 4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -3.052 5.493 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.481 6.840 3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -1.886 6.667 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -4.601 5.902 6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -3.520 7.113 7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -5.201 7.544 7.164 1.00 0.00 H new ATOM 1169 N ASP A 439 -2.567 11.601 5.293 1.00 0.00 N ATOM 1170 CA ASP A 439 -2.711 13.051 5.163 1.00 0.00 C ATOM 1171 C ASP A 439 -1.488 13.671 4.489 1.00 0.00 C ATOM 1172 O ASP A 439 -1.563 14.719 3.851 1.00 0.00 O ATOM 1173 CB ASP A 439 -2.873 13.650 6.562 1.00 0.00 C ATOM 1174 CG ASP A 439 -4.075 14.566 6.671 1.00 0.00 C ATOM 1175 OD1 ASP A 439 -4.900 14.578 5.733 1.00 0.00 O ATOM 1176 OD2 ASP A 439 -4.192 15.271 7.696 1.00 0.00 O ATOM 0 H ASP A 439 -2.543 11.278 6.260 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.583 13.264 4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.969 12.844 7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.972 14.207 6.821 1.00 0.00 H new ATOM 1181 N PHE A 440 -0.372 12.994 4.655 1.00 0.00 N ATOM 1182 CA PHE A 440 0.895 13.438 4.093 1.00 0.00 C ATOM 1183 C PHE A 440 0.865 13.343 2.577 1.00 0.00 C ATOM 1184 O PHE A 440 1.030 14.343 1.882 1.00 0.00 O ATOM 1185 CB PHE A 440 2.062 12.622 4.650 1.00 0.00 C ATOM 1186 CG PHE A 440 3.371 12.917 3.976 1.00 0.00 C ATOM 1187 CD1 PHE A 440 4.055 14.091 4.249 1.00 0.00 C ATOM 1188 CD2 PHE A 440 3.916 12.022 3.071 1.00 0.00 C ATOM 1189 CE1 PHE A 440 5.260 14.367 3.630 1.00 0.00 C ATOM 1190 CE2 PHE A 440 5.120 12.293 2.447 1.00 0.00 C ATOM 1191 CZ PHE A 440 5.793 13.466 2.728 1.00 0.00 C ATOM 0 H PHE A 440 -0.312 12.122 5.181 1.00 0.00 H new ATOM 0 HA PHE A 440 1.042 14.480 4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 440 2.158 12.821 5.717 1.00 0.00 H new ATOM 0 HB3 PHE A 440 1.838 11.561 4.543 1.00 0.00 H new ATOM 0 HD1 PHE A 440 3.642 14.798 4.953 1.00 0.00 H new ATOM 0 HD2 PHE A 440 3.395 11.102 2.850 1.00 0.00 H new ATOM 0 HE1 PHE A 440 5.784 15.285 3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 440 5.534 11.588 1.741 1.00 0.00 H new ATOM 0 HZ PHE A 440 6.734 13.679 2.243 1.00 0.00 H new ATOM 1201 N TYR A 441 0.647 12.137 2.066 1.00 0.00 N ATOM 1202 CA TYR A 441 0.588 11.921 0.634 1.00 0.00 C ATOM 1203 C TYR A 441 -0.538 12.734 0.026 1.00 0.00 C ATOM 1204 O TYR A 441 -0.372 13.357 -1.021 1.00 0.00 O ATOM 1205 CB TYR A 441 0.406 10.440 0.337 1.00 0.00 C ATOM 1206 CG TYR A 441 1.592 9.611 0.762 1.00 0.00 C ATOM 1207 CD1 TYR A 441 2.877 10.134 0.726 1.00 0.00 C ATOM 1208 CD2 TYR A 441 1.425 8.304 1.181 1.00 0.00 C ATOM 1209 CE1 TYR A 441 3.966 9.374 1.103 1.00 0.00 C ATOM 1210 CE2 TYR A 441 2.506 7.535 1.557 1.00 0.00 C ATOM 1211 CZ TYR A 441 3.775 8.075 1.519 1.00 0.00 C ATOM 1212 OH TYR A 441 4.857 7.313 1.894 1.00 0.00 O ATOM 0 H TYR A 441 0.509 11.296 2.626 1.00 0.00 H new ATOM 0 HA TYR A 441 1.526 12.250 0.187 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -0.487 10.078 0.848 1.00 0.00 H new ATOM 0 HB3 TYR A 441 0.238 10.306 -0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 441 3.027 11.152 0.398 1.00 0.00 H new ATOM 0 HD2 TYR A 441 0.433 7.879 1.214 1.00 0.00 H new ATOM 0 HE1 TYR A 441 4.960 9.795 1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 441 2.360 6.515 1.880 1.00 0.00 H new ATOM 0 HH TYR A 441 4.833 7.165 2.862 1.00 0.00 H new ATOM 1222 N ALA A 442 -1.675 12.754 0.707 1.00 0.00 N ATOM 1223 CA ALA A 442 -2.805 13.536 0.235 1.00 0.00 C ATOM 1224 C ALA A 442 -2.384 14.997 0.170 1.00 0.00 C ATOM 1225 O ALA A 442 -2.336 15.604 -0.900 1.00 0.00 O ATOM 1226 CB ALA A 442 -4.012 13.367 1.144 1.00 0.00 C ATOM 0 H ALA A 442 -1.837 12.245 1.576 1.00 0.00 H new ATOM 0 HA ALA A 442 -3.098 13.186 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 442 -4.840 13.965 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 442 -4.304 12.317 1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 442 -3.758 13.698 2.151 1.00 0.00 H new ATOM 1232 N LYS A 443 -2.059 15.541 1.337 1.00 0.00 N ATOM 1233 CA LYS A 443 -1.611 16.921 1.458 1.00 0.00 C ATOM 1234 C LYS A 443 -0.543 17.224 0.430 1.00 0.00 C ATOM 1235 O LYS A 443 -0.473 18.325 -0.111 1.00 0.00 O ATOM 1236 CB LYS A 443 -1.040 17.158 2.848 1.00 0.00 C ATOM 1237 CG LYS A 443 -2.086 17.222 3.936 1.00 0.00 C ATOM 1238 CD LYS A 443 -2.627 18.634 4.091 1.00 0.00 C ATOM 1239 CE LYS A 443 -3.328 19.110 2.824 1.00 0.00 C ATOM 1240 NZ LYS A 443 -4.348 20.155 3.114 1.00 0.00 N ATOM 0 H LYS A 443 -2.099 15.038 2.224 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.466 17.575 1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -0.335 16.360 3.082 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -0.476 18.091 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -2.903 16.540 3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -1.655 16.889 4.880 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -3.325 18.667 4.928 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.809 19.313 4.332 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.589 19.507 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -3.806 18.262 2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -4.802 20.452 2.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -5.067 19.769 3.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -3.888 20.975 3.559 1.00 0.00 H new ATOM 1254 N GLN A 444 0.277 16.224 0.157 1.00 0.00 N ATOM 1255 CA GLN A 444 1.335 16.366 -0.826 1.00 0.00 C ATOM 1256 C GLN A 444 0.712 16.511 -2.204 1.00 0.00 C ATOM 1257 O GLN A 444 0.900 17.516 -2.890 1.00 0.00 O ATOM 1258 CB GLN A 444 2.268 15.153 -0.791 1.00 0.00 C ATOM 1259 CG GLN A 444 3.700 15.474 -1.194 1.00 0.00 C ATOM 1260 CD GLN A 444 4.122 14.762 -2.463 1.00 0.00 C ATOM 1261 OE1 GLN A 444 4.844 13.766 -2.420 1.00 0.00 O ATOM 1262 NE2 GLN A 444 3.672 15.269 -3.606 1.00 0.00 N ATOM 0 H GLN A 444 0.230 15.307 0.601 1.00 0.00 H new ATOM 0 HA GLN A 444 1.926 17.253 -0.595 1.00 0.00 H new ATOM 0 HB2 GLN A 444 2.268 14.734 0.215 1.00 0.00 H new ATOM 0 HB3 GLN A 444 1.876 14.384 -1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 444 3.801 16.550 -1.335 1.00 0.00 H new ATOM 0 HG3 GLN A 444 4.373 15.194 -0.384 1.00 0.00 H new ATOM 0 HE21 GLN A 444 3.076 16.096 -3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 444 3.923 14.831 -4.492 1.00 0.00 H new