USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 537 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 387 TYR OH : rot 35:sc= -4.7! USER MOD Set 1.2: A 404 CYS SG : rot 107:sc= -0.155 USER MOD Single : A 369 ASN :FLIP amide:sc= -0.335 F(o=-1.1,f=-0.33) USER MOD Single : A 371 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0211) USER MOD Single : A 373 GLN :FLIP amide:sc= -1.84 F(o=-3.8!,f=-1.8) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot -29:sc= 0.655 USER MOD Single : A 380 TYR OH : rot -138:sc= 1.39 USER MOD Single : A 382 SER OG : rot 180:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 389 THR OG1 : rot 130:sc= -2.37! USER MOD Single : A 399 ASN : amide:sc= -3.34! C(o=-3.3!,f=-11!) USER MOD Single : A 400 SER OG : rot 70:sc= -1.28 USER MOD Single : A 410 THR OG1 : rot 29:sc= 0.0381 USER MOD Single : A 414 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 419 ASN :FLIP amide:sc= -1.33 F(o=-5.4!,f=-1.3) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN :FLIP amide:sc= -0.577 F(o=-1.3,f=-0.58) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 436 LYS NZ :NH3+ 160:sc= -0.0117 (180deg=-0.174) USER MOD Single : A 437 MET CE :methyl 136:sc= -0.3 (180deg=-2.17!) USER MOD Single : A 441 TYR OH : rot 30:sc= -0.547 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 GLN : amide:sc= -0.0458 X(o=-0.046,f=0) USER MOD ----------------------------------------------------------------- ATOM 102 N ASN A 369 -2.925 -3.147 9.065 1.00 0.00 N ATOM 103 CA ASN A 369 -2.560 -1.825 9.562 1.00 0.00 C ATOM 104 C ASN A 369 -1.538 -1.146 8.644 1.00 0.00 C ATOM 105 O ASN A 369 -1.295 0.054 8.755 1.00 0.00 O ATOM 106 CB ASN A 369 -2.013 -1.926 10.993 1.00 0.00 C ATOM 107 CG ASN A 369 -0.532 -2.270 11.047 1.00 0.00 C ATOM 108 OD1 ASN A 369 -0.092 -3.149 10.155 1.00 0.00 O flip ATOM 109 ND2 ASN A 369 0.205 -1.747 11.883 1.00 0.00 N flip ATOM 0 HA ASN A 369 -3.460 -1.209 9.571 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -2.178 -0.978 11.506 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -2.575 -2.685 11.537 1.00 0.00 H new ATOM 0 HD21 ASN A 369 -0.176 -1.076 12.550 1.00 0.00 H new ATOM 0 HD22 ASN A 369 1.197 -1.985 11.909 1.00 0.00 H new ATOM 116 N ALA A 370 -0.941 -1.917 7.739 1.00 0.00 N ATOM 117 CA ALA A 370 0.047 -1.373 6.816 1.00 0.00 C ATOM 118 C ALA A 370 -0.552 -0.258 5.968 1.00 0.00 C ATOM 119 O ALA A 370 0.124 0.717 5.640 1.00 0.00 O ATOM 120 CB ALA A 370 0.602 -2.476 5.926 1.00 0.00 C ATOM 0 H ALA A 370 -1.124 -2.914 7.626 1.00 0.00 H new ATOM 0 HA ALA A 370 0.863 -0.950 7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 370 1.339 -2.055 5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 370 1.075 -3.239 6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -0.210 -2.925 5.354 1.00 0.00 H new ATOM 126 N LYS A 371 -1.825 -0.406 5.620 1.00 0.00 N ATOM 127 CA LYS A 371 -2.515 0.591 4.810 1.00 0.00 C ATOM 128 C LYS A 371 -2.712 1.885 5.589 1.00 0.00 C ATOM 129 O LYS A 371 -2.474 2.976 5.070 1.00 0.00 O ATOM 130 CB LYS A 371 -3.867 0.049 4.338 1.00 0.00 C ATOM 131 CG LYS A 371 -4.719 1.076 3.606 1.00 0.00 C ATOM 132 CD LYS A 371 -5.441 0.458 2.420 1.00 0.00 C ATOM 133 CE LYS A 371 -6.581 1.341 1.939 1.00 0.00 C ATOM 134 NZ LYS A 371 -6.953 1.050 0.527 1.00 0.00 N ATOM 0 H LYS A 371 -2.400 -1.206 5.886 1.00 0.00 H new ATOM 0 HA LYS A 371 -1.896 0.807 3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -3.697 -0.803 3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -4.421 -0.320 5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -5.448 1.503 4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -4.088 1.895 3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -4.734 0.299 1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -5.831 -0.521 2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -7.450 1.194 2.581 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -6.292 2.388 2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -7.788 1.613 0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -6.159 1.296 -0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -7.172 0.038 0.427 1.00 0.00 H new ATOM 148 N ARG A 372 -3.142 1.759 6.837 1.00 0.00 N ATOM 149 CA ARG A 372 -3.363 2.926 7.681 1.00 0.00 C ATOM 150 C ARG A 372 -2.059 3.686 7.881 1.00 0.00 C ATOM 151 O ARG A 372 -2.052 4.907 8.030 1.00 0.00 O ATOM 152 CB ARG A 372 -3.961 2.517 9.032 1.00 0.00 C ATOM 153 CG ARG A 372 -3.002 1.757 9.937 1.00 0.00 C ATOM 154 CD ARG A 372 -3.247 2.080 11.402 1.00 0.00 C ATOM 155 NE ARG A 372 -4.346 1.294 11.959 1.00 0.00 N ATOM 156 CZ ARG A 372 -4.760 1.388 13.220 1.00 0.00 C ATOM 157 NH1 ARG A 372 -4.172 2.233 14.058 1.00 0.00 N ATOM 158 NH2 ARG A 372 -5.766 0.636 13.645 1.00 0.00 N ATOM 0 H ARG A 372 -3.344 0.866 7.286 1.00 0.00 H new ATOM 0 HA ARG A 372 -4.076 3.582 7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -4.300 3.413 9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -4.841 1.899 8.854 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -3.119 0.685 9.775 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -1.975 2.009 9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -2.338 1.888 11.973 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -3.471 3.142 11.507 1.00 0.00 H new ATOM 0 HE ARG A 372 -4.824 0.634 11.345 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -3.398 2.815 13.736 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -4.494 2.301 15.024 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -6.222 -0.014 13.005 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -6.084 0.708 14.612 1.00 0.00 H new ATOM 170 N GLN A 373 -0.954 2.949 7.868 1.00 0.00 N ATOM 171 CA GLN A 373 0.363 3.547 8.030 1.00 0.00 C ATOM 172 C GLN A 373 0.658 4.494 6.874 1.00 0.00 C ATOM 173 O GLN A 373 0.955 5.670 7.081 1.00 0.00 O ATOM 174 CB GLN A 373 1.436 2.455 8.099 1.00 0.00 C ATOM 175 CG GLN A 373 2.222 2.453 9.400 1.00 0.00 C ATOM 176 CD GLN A 373 3.709 2.654 9.186 1.00 0.00 C ATOM 177 OE1 GLN A 373 4.097 3.874 8.834 1.00 0.00 O flip ATOM 178 NE2 GLN A 373 4.502 1.724 9.338 1.00 0.00 N flip ATOM 0 H GLN A 373 -0.946 1.936 7.747 1.00 0.00 H new ATOM 0 HA GLN A 373 0.375 4.113 8.961 1.00 0.00 H new ATOM 0 HB2 GLN A 373 0.961 1.482 7.970 1.00 0.00 H new ATOM 0 HB3 GLN A 373 2.128 2.585 7.267 1.00 0.00 H new ATOM 0 HG2 GLN A 373 1.843 3.242 10.050 1.00 0.00 H new ATOM 0 HG3 GLN A 373 2.058 1.508 9.917 1.00 0.00 H new ATOM 0 HE21 GLN A 373 4.161 0.802 9.609 1.00 0.00 H new ATOM 0 HE22 GLN A 373 5.500 1.876 9.193 1.00 0.00 H new ATOM 187 N LEU A 374 0.565 3.970 5.656 1.00 0.00 N ATOM 188 CA LEU A 374 0.818 4.766 4.462 1.00 0.00 C ATOM 189 C LEU A 374 -0.157 5.934 4.373 1.00 0.00 C ATOM 190 O LEU A 374 0.232 7.061 4.073 1.00 0.00 O ATOM 191 CB LEU A 374 0.705 3.888 3.212 1.00 0.00 C ATOM 192 CG LEU A 374 1.647 4.256 2.060 1.00 0.00 C ATOM 193 CD1 LEU A 374 3.070 4.453 2.565 1.00 0.00 C ATOM 194 CD2 LEU A 374 1.608 3.179 0.985 1.00 0.00 C ATOM 0 H LEU A 374 0.316 2.998 5.471 1.00 0.00 H new ATOM 0 HA LEU A 374 1.829 5.168 4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 374 0.895 2.853 3.498 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -0.321 3.935 2.848 1.00 0.00 H new ATOM 0 HG LEU A 374 1.308 5.197 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 374 3.720 4.713 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 374 3.087 5.256 3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 374 3.424 3.531 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 374 2.281 3.452 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 374 1.922 2.227 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 374 0.593 3.086 0.600 1.00 0.00 H new ATOM 206 N TYR A 375 -1.425 5.655 4.641 1.00 0.00 N ATOM 207 CA TYR A 375 -2.457 6.683 4.593 1.00 0.00 C ATOM 208 C TYR A 375 -2.256 7.707 5.705 1.00 0.00 C ATOM 209 O TYR A 375 -2.623 8.872 5.561 1.00 0.00 O ATOM 210 CB TYR A 375 -3.845 6.047 4.709 1.00 0.00 C ATOM 211 CG TYR A 375 -4.823 6.518 3.656 1.00 0.00 C ATOM 212 CD1 TYR A 375 -4.916 7.862 3.319 1.00 0.00 C ATOM 213 CD2 TYR A 375 -5.652 5.617 2.999 1.00 0.00 C ATOM 214 CE1 TYR A 375 -5.809 8.296 2.358 1.00 0.00 C ATOM 215 CE2 TYR A 375 -6.547 6.043 2.036 1.00 0.00 C ATOM 216 CZ TYR A 375 -6.622 7.383 1.719 1.00 0.00 C ATOM 217 OH TYR A 375 -7.512 7.810 0.761 1.00 0.00 O ATOM 0 H TYR A 375 -1.764 4.727 4.894 1.00 0.00 H new ATOM 0 HA TYR A 375 -2.381 7.197 3.635 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -3.745 4.964 4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -4.254 6.267 5.695 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.280 8.580 3.816 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -5.596 4.567 3.245 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -5.870 9.345 2.108 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -7.184 5.330 1.534 1.00 0.00 H new ATOM 0 HH TYR A 375 -8.007 7.041 0.409 1.00 0.00 H new ATOM 227 N SER A 376 -1.672 7.265 6.812 1.00 0.00 N ATOM 228 CA SER A 376 -1.424 8.147 7.946 1.00 0.00 C ATOM 229 C SER A 376 -0.041 8.793 7.854 1.00 0.00 C ATOM 230 O SER A 376 0.317 9.621 8.692 1.00 0.00 O ATOM 231 CB SER A 376 -1.550 7.371 9.257 1.00 0.00 C ATOM 232 OG SER A 376 -0.433 6.520 9.456 1.00 0.00 O ATOM 0 H SER A 376 -1.362 6.303 6.949 1.00 0.00 H new ATOM 0 HA SER A 376 -2.172 8.939 7.923 1.00 0.00 H new ATOM 0 HB2 SER A 376 -1.632 8.069 10.090 1.00 0.00 H new ATOM 0 HB3 SER A 376 -2.465 6.779 9.246 1.00 0.00 H new ATOM 0 HG SER A 376 -0.076 6.240 8.587 1.00 0.00 H new ATOM 238 N LEU A 377 0.737 8.409 6.843 1.00 0.00 N ATOM 239 CA LEU A 377 2.075 8.957 6.669 1.00 0.00 C ATOM 240 C LEU A 377 2.199 9.753 5.372 1.00 0.00 C ATOM 241 O LEU A 377 3.072 10.613 5.254 1.00 0.00 O ATOM 242 CB LEU A 377 3.117 7.835 6.693 1.00 0.00 C ATOM 243 CG LEU A 377 3.852 7.667 8.024 1.00 0.00 C ATOM 244 CD1 LEU A 377 2.885 7.235 9.115 1.00 0.00 C ATOM 245 CD2 LEU A 377 4.988 6.663 7.884 1.00 0.00 C ATOM 0 H LEU A 377 0.463 7.725 6.138 1.00 0.00 H new ATOM 0 HA LEU A 377 2.258 9.640 7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 377 2.623 6.895 6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 377 3.852 8.024 5.910 1.00 0.00 H new ATOM 0 HG LEU A 377 4.279 8.629 8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 377 3.425 7.120 10.055 1.00 0.00 H new ATOM 0 HD12 LEU A 377 2.108 7.990 9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 377 2.428 6.284 8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 377 5.499 6.556 8.841 1.00 0.00 H new ATOM 0 HD22 LEU A 377 4.585 5.697 7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 377 5.694 7.015 7.132 1.00 0.00 H new ATOM 257 N ILE A 378 1.339 9.470 4.394 1.00 0.00 N ATOM 258 CA ILE A 378 1.400 10.181 3.123 1.00 0.00 C ATOM 259 C ILE A 378 0.012 10.498 2.565 1.00 0.00 C ATOM 260 O ILE A 378 -0.187 11.541 1.944 1.00 0.00 O ATOM 261 CB ILE A 378 2.217 9.395 2.074 1.00 0.00 C ATOM 262 CG1 ILE A 378 1.506 8.099 1.677 1.00 0.00 C ATOM 263 CG2 ILE A 378 3.607 9.091 2.613 1.00 0.00 C ATOM 264 CD1 ILE A 378 2.016 7.505 0.382 1.00 0.00 C ATOM 0 H ILE A 378 0.604 8.765 4.457 1.00 0.00 H new ATOM 0 HA ILE A 378 1.903 11.126 3.329 1.00 0.00 H new ATOM 0 HB ILE A 378 2.309 10.015 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 378 1.627 7.368 2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 378 0.438 8.294 1.583 1.00 0.00 H new ATOM 0 HG21 ILE A 378 4.174 8.537 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 378 4.122 10.025 2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 378 3.523 8.493 3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 378 1.468 6.589 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 378 1.870 8.219 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 378 3.078 7.279 0.479 1.00 0.00 H new ATOM 276 N GLY A 379 -0.941 9.600 2.784 1.00 0.00 N ATOM 277 CA GLY A 379 -2.288 9.821 2.287 1.00 0.00 C ATOM 278 C GLY A 379 -2.987 10.969 2.990 1.00 0.00 C ATOM 279 O GLY A 379 -3.507 10.804 4.094 1.00 0.00 O ATOM 0 H GLY A 379 -0.808 8.727 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -2.248 10.025 1.217 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -2.873 8.910 2.416 1.00 0.00 H new ATOM 283 N TYR A 380 -2.999 12.137 2.352 1.00 0.00 N ATOM 284 CA TYR A 380 -3.641 13.314 2.928 1.00 0.00 C ATOM 285 C TYR A 380 -4.965 13.618 2.233 1.00 0.00 C ATOM 286 O TYR A 380 -5.933 14.025 2.873 1.00 0.00 O ATOM 287 CB TYR A 380 -2.718 14.536 2.850 1.00 0.00 C ATOM 288 CG TYR A 380 -1.830 14.569 1.624 1.00 0.00 C ATOM 289 CD1 TYR A 380 -2.361 14.789 0.358 1.00 0.00 C ATOM 290 CD2 TYR A 380 -0.458 14.384 1.734 1.00 0.00 C ATOM 291 CE1 TYR A 380 -1.550 14.821 -0.760 1.00 0.00 C ATOM 292 CE2 TYR A 380 0.360 14.416 0.621 1.00 0.00 C ATOM 293 CZ TYR A 380 -0.191 14.635 -0.624 1.00 0.00 C ATOM 294 OH TYR A 380 0.620 14.667 -1.735 1.00 0.00 O ATOM 0 H TYR A 380 -2.573 12.293 1.439 1.00 0.00 H new ATOM 0 HA TYR A 380 -3.844 13.094 3.976 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -3.328 15.439 2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.089 14.559 3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -3.425 14.937 0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -0.023 14.212 2.707 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -1.979 14.991 -1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 380 1.425 14.270 0.725 1.00 0.00 H new ATOM 0 HH TYR A 380 1.289 13.953 -1.673 1.00 0.00 H new ATOM 304 N ALA A 381 -5.000 13.422 0.917 1.00 0.00 N ATOM 305 CA ALA A 381 -6.205 13.679 0.138 1.00 0.00 C ATOM 306 C ALA A 381 -5.984 13.367 -1.338 1.00 0.00 C ATOM 307 O ALA A 381 -6.486 12.368 -1.853 1.00 0.00 O ATOM 308 CB ALA A 381 -6.648 15.125 0.311 1.00 0.00 C ATOM 0 H ALA A 381 -4.208 13.086 0.370 1.00 0.00 H new ATOM 0 HA ALA A 381 -6.992 13.021 0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -7.549 15.302 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -6.857 15.318 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -5.856 15.792 -0.030 1.00 0.00 H new ATOM 314 N SER A 382 -5.227 14.227 -2.013 1.00 0.00 N ATOM 315 CA SER A 382 -4.936 14.044 -3.431 1.00 0.00 C ATOM 316 C SER A 382 -4.364 12.654 -3.693 1.00 0.00 C ATOM 317 O SER A 382 -4.558 12.083 -4.766 1.00 0.00 O ATOM 318 CB SER A 382 -3.954 15.111 -3.917 1.00 0.00 C ATOM 319 OG SER A 382 -4.640 16.216 -4.482 1.00 0.00 O ATOM 0 H SER A 382 -4.804 15.058 -1.600 1.00 0.00 H new ATOM 0 HA SER A 382 -5.871 14.145 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 382 -3.338 15.449 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A 382 -3.280 14.680 -4.658 1.00 0.00 H new ATOM 0 HG SER A 382 -3.990 16.885 -4.784 1.00 0.00 H new ATOM 325 N LEU A 383 -3.660 12.116 -2.703 1.00 0.00 N ATOM 326 CA LEU A 383 -3.063 10.792 -2.821 1.00 0.00 C ATOM 327 C LEU A 383 -4.073 9.712 -2.454 1.00 0.00 C ATOM 328 O LEU A 383 -3.988 9.104 -1.387 1.00 0.00 O ATOM 329 CB LEU A 383 -1.830 10.685 -1.922 1.00 0.00 C ATOM 330 CG LEU A 383 -0.712 9.790 -2.457 1.00 0.00 C ATOM 331 CD1 LEU A 383 -0.101 10.391 -3.713 1.00 0.00 C ATOM 332 CD2 LEU A 383 0.354 9.576 -1.393 1.00 0.00 C ATOM 0 H LEU A 383 -3.489 12.577 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 383 -2.759 10.644 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -1.428 11.686 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 383 -2.142 10.308 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 383 -1.140 8.821 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 383 0.693 9.740 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -0.870 10.492 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 383 0.313 11.373 -3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 383 1.142 8.937 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 383 0.778 10.538 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 383 -0.093 9.100 -0.520 1.00 0.00 H new ATOM 344 N ARG A 384 -5.031 9.480 -3.346 1.00 0.00 N ATOM 345 CA ARG A 384 -6.062 8.474 -3.122 1.00 0.00 C ATOM 346 C ARG A 384 -5.447 7.082 -3.012 1.00 0.00 C ATOM 347 O ARG A 384 -5.442 6.316 -3.975 1.00 0.00 O ATOM 348 CB ARG A 384 -7.087 8.505 -4.257 1.00 0.00 C ATOM 349 CG ARG A 384 -8.186 9.534 -4.055 1.00 0.00 C ATOM 350 CD ARG A 384 -9.096 9.626 -5.270 1.00 0.00 C ATOM 351 NE ARG A 384 -9.835 8.384 -5.496 1.00 0.00 N ATOM 352 CZ ARG A 384 -9.386 7.374 -6.239 1.00 0.00 C ATOM 353 NH1 ARG A 384 -8.204 7.449 -6.838 1.00 0.00 N ATOM 354 NH2 ARG A 384 -10.124 6.282 -6.384 1.00 0.00 N ATOM 0 H ARG A 384 -5.114 9.977 -4.233 1.00 0.00 H new ATOM 0 HA ARG A 384 -6.564 8.704 -2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 384 -6.572 8.715 -5.195 1.00 0.00 H new ATOM 0 HB3 ARG A 384 -7.538 7.518 -4.355 1.00 0.00 H new ATOM 0 HG2 ARG A 384 -8.776 9.270 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 384 -7.741 10.509 -3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 384 -9.800 10.447 -5.135 1.00 0.00 H new ATOM 0 HD3 ARG A 384 -8.500 9.859 -6.152 1.00 0.00 H new ATOM 0 HE ARG A 384 -10.751 8.285 -5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 384 -7.630 8.286 -6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 384 -7.869 6.670 -7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 384 -11.034 6.217 -5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 384 -9.782 5.507 -6.953 1.00 0.00 H new ATOM 366 N LEU A 385 -4.927 6.768 -1.832 1.00 0.00 N ATOM 367 CA LEU A 385 -4.305 5.472 -1.589 1.00 0.00 C ATOM 368 C LEU A 385 -5.308 4.338 -1.773 1.00 0.00 C ATOM 369 O LEU A 385 -6.200 4.145 -0.947 1.00 0.00 O ATOM 370 CB LEU A 385 -3.714 5.426 -0.177 1.00 0.00 C ATOM 371 CG LEU A 385 -3.009 4.118 0.187 1.00 0.00 C ATOM 372 CD1 LEU A 385 -1.529 4.359 0.437 1.00 0.00 C ATOM 373 CD2 LEU A 385 -3.658 3.482 1.407 1.00 0.00 C ATOM 0 H LEU A 385 -4.924 7.394 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 385 -3.504 5.340 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 385 -3.004 6.246 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 385 -4.515 5.602 0.542 1.00 0.00 H new ATOM 0 HG LEU A 385 -3.108 3.431 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -1.045 3.417 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.070 4.769 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.409 5.065 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -3.143 2.553 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -3.591 4.166 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -4.706 3.271 1.193 1.00 0.00 H new ATOM 385 N HIS A 386 -5.153 3.589 -2.860 1.00 0.00 N ATOM 386 CA HIS A 386 -6.040 2.471 -3.155 1.00 0.00 C ATOM 387 C HIS A 386 -5.236 1.232 -3.533 1.00 0.00 C ATOM 388 O HIS A 386 -4.210 1.329 -4.206 1.00 0.00 O ATOM 389 CB HIS A 386 -6.999 2.835 -4.290 1.00 0.00 C ATOM 390 CG HIS A 386 -8.276 2.053 -4.268 1.00 0.00 C ATOM 391 ND1 HIS A 386 -9.329 2.356 -3.431 1.00 0.00 N ATOM 392 CD2 HIS A 386 -8.668 0.976 -4.988 1.00 0.00 C ATOM 393 CE1 HIS A 386 -10.313 1.497 -3.636 1.00 0.00 C ATOM 394 NE2 HIS A 386 -9.937 0.650 -4.576 1.00 0.00 N ATOM 0 H HIS A 386 -4.419 3.737 -3.553 1.00 0.00 H new ATOM 0 HA HIS A 386 -6.620 2.252 -2.258 1.00 0.00 H new ATOM 0 HB2 HIS A 386 -7.232 3.898 -4.231 1.00 0.00 H new ATOM 0 HB3 HIS A 386 -6.498 2.671 -5.244 1.00 0.00 H new ATOM 0 HD2 HIS A 386 -8.090 0.467 -5.746 1.00 0.00 H new ATOM 0 HE1 HIS A 386 -11.263 1.490 -3.122 1.00 0.00 H new ATOM 0 HE2 HIS A 386 -10.498 -0.121 -4.938 1.00 0.00 H new ATOM 403 N TYR A 387 -5.701 0.067 -3.090 1.00 0.00 N ATOM 404 CA TYR A 387 -5.016 -1.185 -3.381 1.00 0.00 C ATOM 405 C TYR A 387 -5.824 -2.051 -4.338 1.00 0.00 C ATOM 406 O TYR A 387 -7.000 -2.328 -4.103 1.00 0.00 O ATOM 407 CB TYR A 387 -4.741 -1.952 -2.087 1.00 0.00 C ATOM 408 CG TYR A 387 -3.545 -1.428 -1.330 1.00 0.00 C ATOM 409 CD1 TYR A 387 -3.590 -0.195 -0.694 1.00 0.00 C ATOM 410 CD2 TYR A 387 -2.368 -2.163 -1.257 1.00 0.00 C ATOM 411 CE1 TYR A 387 -2.497 0.293 -0.007 1.00 0.00 C ATOM 412 CE2 TYR A 387 -1.271 -1.682 -0.572 1.00 0.00 C ATOM 413 CZ TYR A 387 -1.340 -0.454 0.050 1.00 0.00 C ATOM 414 OH TYR A 387 -0.249 0.032 0.732 1.00 0.00 O ATOM 0 H TYR A 387 -6.547 -0.034 -2.530 1.00 0.00 H new ATOM 0 HA TYR A 387 -4.069 -0.942 -3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -5.621 -1.898 -1.446 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -4.582 -3.004 -2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -4.495 0.392 -0.737 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -2.311 -3.125 -1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -2.548 1.254 0.483 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -0.363 -2.265 -0.524 1.00 0.00 H new ATOM 0 HH TYR A 387 -0.551 0.539 1.514 1.00 0.00 H new ATOM 424 N VAL A 388 -5.180 -2.478 -5.420 1.00 0.00 N ATOM 425 CA VAL A 388 -5.826 -3.313 -6.417 1.00 0.00 C ATOM 426 C VAL A 388 -5.155 -4.681 -6.503 1.00 0.00 C ATOM 427 O VAL A 388 -4.130 -4.840 -7.166 1.00 0.00 O ATOM 428 CB VAL A 388 -5.793 -2.647 -7.805 1.00 0.00 C ATOM 429 CG1 VAL A 388 -6.513 -3.504 -8.835 1.00 0.00 C ATOM 430 CG2 VAL A 388 -6.400 -1.254 -7.743 1.00 0.00 C ATOM 0 H VAL A 388 -4.206 -2.256 -5.626 1.00 0.00 H new ATOM 0 HA VAL A 388 -6.863 -3.440 -6.107 1.00 0.00 H new ATOM 0 HB VAL A 388 -4.752 -2.554 -8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 388 -6.476 -3.012 -9.807 1.00 0.00 H new ATOM 0 HG12 VAL A 388 -6.027 -4.477 -8.902 1.00 0.00 H new ATOM 0 HG13 VAL A 388 -7.552 -3.637 -8.535 1.00 0.00 H new ATOM 0 HG21 VAL A 388 -6.368 -0.799 -8.733 1.00 0.00 H new ATOM 0 HG22 VAL A 388 -7.435 -1.323 -7.408 1.00 0.00 H new ATOM 0 HG23 VAL A 388 -5.832 -0.641 -7.043 1.00 0.00 H new ATOM 440 N THR A 389 -5.741 -5.667 -5.831 1.00 0.00 N ATOM 441 CA THR A 389 -5.202 -7.022 -5.838 1.00 0.00 C ATOM 442 C THR A 389 -5.559 -7.731 -7.140 1.00 0.00 C ATOM 443 O THR A 389 -6.721 -7.755 -7.544 1.00 0.00 O ATOM 444 CB THR A 389 -5.742 -7.816 -4.644 1.00 0.00 C ATOM 445 OG1 THR A 389 -5.611 -7.090 -3.435 1.00 0.00 O ATOM 446 CG2 THR A 389 -5.078 -9.168 -4.462 1.00 0.00 C ATOM 0 H THR A 389 -6.589 -5.553 -5.275 1.00 0.00 H new ATOM 0 HA THR A 389 -4.117 -6.961 -5.759 1.00 0.00 H new ATOM 0 HB THR A 389 -6.794 -7.983 -4.876 1.00 0.00 H new ATOM 0 HG1 THR A 389 -6.468 -7.088 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 389 -5.511 -9.673 -3.598 1.00 0.00 H new ATOM 0 HG22 THR A 389 -5.237 -9.774 -5.354 1.00 0.00 H new ATOM 0 HG23 THR A 389 -4.009 -9.030 -4.303 1.00 0.00 H new ATOM 594 N ASN A 399 0.983 -16.060 -7.136 1.00 0.00 N ATOM 595 CA ASN A 399 0.955 -15.517 -5.781 1.00 0.00 C ATOM 596 C ASN A 399 -0.037 -14.366 -5.670 1.00 0.00 C ATOM 597 O ASN A 399 -0.553 -13.877 -6.675 1.00 0.00 O ATOM 598 CB ASN A 399 2.352 -15.043 -5.370 1.00 0.00 C ATOM 599 CG ASN A 399 2.777 -15.576 -4.013 1.00 0.00 C ATOM 600 OD1 ASN A 399 3.450 -14.888 -3.247 1.00 0.00 O ATOM 601 ND2 ASN A 399 2.393 -16.807 -3.710 1.00 0.00 N ATOM 0 HA ASN A 399 0.634 -16.312 -5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 399 3.074 -15.360 -6.122 1.00 0.00 H new ATOM 0 HB3 ASN A 399 2.370 -13.953 -5.349 1.00 0.00 H new ATOM 0 HD21 ASN A 399 2.655 -17.217 -2.813 1.00 0.00 H new ATOM 0 HD22 ASN A 399 1.835 -17.345 -4.373 1.00 0.00 H new ATOM 608 N SER A 400 -0.289 -13.930 -4.439 1.00 0.00 N ATOM 609 CA SER A 400 -1.210 -12.829 -4.198 1.00 0.00 C ATOM 610 C SER A 400 -0.498 -11.502 -4.403 1.00 0.00 C ATOM 611 O SER A 400 0.168 -10.997 -3.500 1.00 0.00 O ATOM 612 CB SER A 400 -1.788 -12.909 -2.785 1.00 0.00 C ATOM 613 OG SER A 400 -1.972 -14.256 -2.386 1.00 0.00 O ATOM 0 H SER A 400 0.131 -14.322 -3.597 1.00 0.00 H new ATOM 0 HA SER A 400 -2.033 -12.902 -4.908 1.00 0.00 H new ATOM 0 HB2 SER A 400 -1.119 -12.407 -2.086 1.00 0.00 H new ATOM 0 HB3 SER A 400 -2.741 -12.382 -2.748 1.00 0.00 H new ATOM 0 HG SER A 400 -1.099 -14.680 -2.254 1.00 0.00 H new ATOM 619 N ILE A 401 -0.623 -10.953 -5.604 1.00 0.00 N ATOM 620 CA ILE A 401 0.030 -9.698 -5.934 1.00 0.00 C ATOM 621 C ILE A 401 -0.958 -8.533 -5.935 1.00 0.00 C ATOM 622 O ILE A 401 -2.020 -8.604 -6.554 1.00 0.00 O ATOM 623 CB ILE A 401 0.743 -9.795 -7.307 1.00 0.00 C ATOM 624 CG1 ILE A 401 2.117 -9.131 -7.238 1.00 0.00 C ATOM 625 CG2 ILE A 401 -0.095 -9.177 -8.420 1.00 0.00 C ATOM 626 CD1 ILE A 401 2.057 -7.636 -7.005 1.00 0.00 C ATOM 0 H ILE A 401 -1.170 -11.358 -6.363 1.00 0.00 H new ATOM 0 HA ILE A 401 0.775 -9.506 -5.162 1.00 0.00 H new ATOM 0 HB ILE A 401 0.872 -10.852 -7.542 1.00 0.00 H new ATOM 0 HG12 ILE A 401 2.694 -9.592 -6.437 1.00 0.00 H new ATOM 0 HG13 ILE A 401 2.652 -9.324 -8.168 1.00 0.00 H new ATOM 0 HG21 ILE A 401 0.437 -9.264 -9.367 1.00 0.00 H new ATOM 0 HG22 ILE A 401 -1.049 -9.700 -8.491 1.00 0.00 H new ATOM 0 HG23 ILE A 401 -0.274 -8.125 -8.199 1.00 0.00 H new ATOM 0 HD11 ILE A 401 3.069 -7.233 -6.967 1.00 0.00 H new ATOM 0 HD12 ILE A 401 1.508 -7.163 -7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 401 1.551 -7.435 -6.061 1.00 0.00 H new ATOM 638 N VAL A 402 -0.592 -7.459 -5.245 1.00 0.00 N ATOM 639 CA VAL A 402 -1.430 -6.272 -5.172 1.00 0.00 C ATOM 640 C VAL A 402 -0.602 -5.018 -5.433 1.00 0.00 C ATOM 641 O VAL A 402 0.600 -4.991 -5.171 1.00 0.00 O ATOM 642 CB VAL A 402 -2.130 -6.151 -3.804 1.00 0.00 C ATOM 643 CG1 VAL A 402 -2.953 -4.873 -3.727 1.00 0.00 C ATOM 644 CG2 VAL A 402 -3.005 -7.368 -3.545 1.00 0.00 C ATOM 0 H VAL A 402 0.284 -7.388 -4.727 1.00 0.00 H new ATOM 0 HA VAL A 402 -2.197 -6.370 -5.940 1.00 0.00 H new ATOM 0 HB VAL A 402 -1.363 -6.106 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 402 -3.437 -4.810 -2.752 1.00 0.00 H new ATOM 0 HG12 VAL A 402 -2.300 -4.011 -3.864 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -3.712 -4.881 -4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 402 -3.492 -7.266 -2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 402 -3.763 -7.444 -4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 402 -2.388 -8.267 -3.549 1.00 0.00 H new ATOM 654 N GLU A 403 -1.251 -3.985 -5.956 1.00 0.00 N ATOM 655 CA GLU A 403 -0.569 -2.734 -6.257 1.00 0.00 C ATOM 656 C GLU A 403 -1.326 -1.542 -5.683 1.00 0.00 C ATOM 657 O GLU A 403 -2.524 -1.379 -5.918 1.00 0.00 O ATOM 658 CB GLU A 403 -0.406 -2.571 -7.770 1.00 0.00 C ATOM 659 CG GLU A 403 0.248 -3.766 -8.442 1.00 0.00 C ATOM 660 CD GLU A 403 0.294 -3.634 -9.952 1.00 0.00 C ATOM 661 OE1 GLU A 403 0.993 -2.727 -10.448 1.00 0.00 O ATOM 662 OE2 GLU A 403 -0.368 -4.441 -10.638 1.00 0.00 O ATOM 0 H GLU A 403 -2.246 -3.989 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 403 0.416 -2.768 -5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 403 -1.386 -2.404 -8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 403 0.191 -1.681 -7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 403 1.262 -3.882 -8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 403 -0.298 -4.671 -8.177 1.00 0.00 H new ATOM 669 N CYS A 404 -0.615 -0.708 -4.931 1.00 0.00 N ATOM 670 CA CYS A 404 -1.211 0.476 -4.325 1.00 0.00 C ATOM 671 C CYS A 404 -1.082 1.678 -5.252 1.00 0.00 C ATOM 672 O CYS A 404 -0.001 2.249 -5.391 1.00 0.00 O ATOM 673 CB CYS A 404 -0.540 0.779 -2.984 1.00 0.00 C ATOM 674 SG CYS A 404 -1.196 2.239 -2.142 1.00 0.00 S ATOM 0 H CYS A 404 0.377 -0.831 -4.727 1.00 0.00 H new ATOM 0 HA CYS A 404 -2.270 0.278 -4.157 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -0.653 -0.086 -2.330 1.00 0.00 H new ATOM 0 HB3 CYS A 404 0.529 0.917 -3.148 1.00 0.00 H new ATOM 0 HG CYS A 404 -1.909 1.867 -1.120 1.00 0.00 H new ATOM 680 N ARG A 405 -2.188 2.062 -5.879 1.00 0.00 N ATOM 681 CA ARG A 405 -2.193 3.197 -6.787 1.00 0.00 C ATOM 682 C ARG A 405 -2.792 4.418 -6.111 1.00 0.00 C ATOM 683 O ARG A 405 -3.778 4.317 -5.382 1.00 0.00 O ATOM 684 CB ARG A 405 -2.979 2.867 -8.056 1.00 0.00 C ATOM 685 CG ARG A 405 -2.525 1.586 -8.740 1.00 0.00 C ATOM 686 CD ARG A 405 -3.517 0.454 -8.525 1.00 0.00 C ATOM 687 NE ARG A 405 -3.716 -0.340 -9.735 1.00 0.00 N ATOM 688 CZ ARG A 405 -4.502 0.030 -10.744 1.00 0.00 C ATOM 689 NH1 ARG A 405 -5.165 1.179 -10.691 1.00 0.00 N ATOM 690 NH2 ARG A 405 -4.626 -0.752 -11.808 1.00 0.00 N ATOM 0 H ARG A 405 -3.092 1.602 -5.773 1.00 0.00 H new ATOM 0 HA ARG A 405 -1.161 3.417 -7.060 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -4.036 2.780 -7.806 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -2.885 3.696 -8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -2.404 1.767 -9.808 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -1.549 1.293 -8.354 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -3.161 -0.192 -7.723 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -4.473 0.867 -8.202 1.00 0.00 H new ATOM 0 HE ARG A 405 -3.224 -1.230 -9.811 1.00 0.00 H new ATOM 0 HH11 ARG A 405 -5.074 1.783 -9.874 1.00 0.00 H new ATOM 0 HH12 ARG A 405 -5.766 1.457 -11.467 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -4.119 -1.636 -11.853 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -5.228 -0.469 -12.581 1.00 0.00 H new ATOM 702 N VAL A 406 -2.192 5.575 -6.357 1.00 0.00 N ATOM 703 CA VAL A 406 -2.672 6.812 -5.768 1.00 0.00 C ATOM 704 C VAL A 406 -3.035 7.830 -6.845 1.00 0.00 C ATOM 705 O VAL A 406 -2.595 7.721 -7.989 1.00 0.00 O ATOM 706 CB VAL A 406 -1.628 7.431 -4.819 1.00 0.00 C ATOM 707 CG1 VAL A 406 -1.366 6.507 -3.640 1.00 0.00 C ATOM 708 CG2 VAL A 406 -0.337 7.737 -5.566 1.00 0.00 C ATOM 0 H VAL A 406 -1.375 5.680 -6.959 1.00 0.00 H new ATOM 0 HA VAL A 406 -3.564 6.561 -5.194 1.00 0.00 H new ATOM 0 HB VAL A 406 -2.026 8.370 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 406 -0.626 6.960 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 406 -2.293 6.347 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 406 -0.990 5.551 -4.004 1.00 0.00 H new ATOM 0 HG21 VAL A 406 0.387 8.173 -4.878 1.00 0.00 H new ATOM 0 HG22 VAL A 406 0.069 6.816 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 406 -0.541 8.441 -6.372 1.00 0.00 H new ATOM 744 N THR A 410 -0.843 6.140 -10.181 1.00 0.00 N ATOM 745 CA THR A 410 0.540 6.055 -9.733 1.00 0.00 C ATOM 746 C THR A 410 0.692 5.009 -8.634 1.00 0.00 C ATOM 747 O THR A 410 0.248 5.214 -7.504 1.00 0.00 O ATOM 748 CB THR A 410 1.020 7.419 -9.226 1.00 0.00 C ATOM 749 OG1 THR A 410 0.994 8.378 -10.268 1.00 0.00 O ATOM 750 CG2 THR A 410 2.425 7.391 -8.662 1.00 0.00 C ATOM 0 HA THR A 410 1.153 5.755 -10.583 1.00 0.00 H new ATOM 0 HB THR A 410 0.331 7.686 -8.424 1.00 0.00 H new ATOM 0 HG1 THR A 410 0.296 8.140 -10.914 1.00 0.00 H new ATOM 0 HG21 THR A 410 2.700 8.389 -8.322 1.00 0.00 H new ATOM 0 HG22 THR A 410 2.466 6.697 -7.822 1.00 0.00 H new ATOM 0 HG23 THR A 410 3.121 7.066 -9.435 1.00 0.00 H new ATOM 758 N VAL A 411 1.327 3.891 -8.967 1.00 0.00 N ATOM 759 CA VAL A 411 1.539 2.823 -7.999 1.00 0.00 C ATOM 760 C VAL A 411 2.785 3.085 -7.165 1.00 0.00 C ATOM 761 O VAL A 411 3.892 3.181 -7.694 1.00 0.00 O ATOM 762 CB VAL A 411 1.667 1.446 -8.678 1.00 0.00 C ATOM 763 CG1 VAL A 411 1.581 0.337 -7.642 1.00 0.00 C ATOM 764 CG2 VAL A 411 0.598 1.274 -9.748 1.00 0.00 C ATOM 0 H VAL A 411 1.702 3.702 -9.896 1.00 0.00 H new ATOM 0 HA VAL A 411 0.662 2.810 -7.352 1.00 0.00 H new ATOM 0 HB VAL A 411 2.641 1.387 -9.163 1.00 0.00 H new ATOM 0 HG11 VAL A 411 1.673 -0.630 -8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 411 2.387 0.453 -6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 411 0.621 0.392 -7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 411 0.705 0.295 -10.216 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -0.389 1.352 -9.292 1.00 0.00 H new ATOM 0 HG23 VAL A 411 0.711 2.051 -10.504 1.00 0.00 H new ATOM 774 N LEU A 412 2.592 3.210 -5.860 1.00 0.00 N ATOM 775 CA LEU A 412 3.690 3.472 -4.943 1.00 0.00 C ATOM 776 C LEU A 412 3.952 2.279 -4.029 1.00 0.00 C ATOM 777 O LEU A 412 5.039 2.144 -3.468 1.00 0.00 O ATOM 778 CB LEU A 412 3.380 4.712 -4.106 1.00 0.00 C ATOM 779 CG LEU A 412 4.509 5.739 -4.035 1.00 0.00 C ATOM 780 CD1 LEU A 412 3.969 7.101 -3.630 1.00 0.00 C ATOM 781 CD2 LEU A 412 5.583 5.271 -3.066 1.00 0.00 C ATOM 0 H LEU A 412 1.679 3.134 -5.411 1.00 0.00 H new ATOM 0 HA LEU A 412 4.590 3.644 -5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 412 2.493 5.196 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 412 3.132 4.396 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 412 4.956 5.836 -5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 412 4.788 7.819 -3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 412 3.235 7.434 -4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 412 3.496 7.028 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 412 6.382 6.011 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 412 5.149 5.148 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 412 5.989 4.318 -3.405 1.00 0.00 H new ATOM 793 N GLY A 413 2.950 1.420 -3.876 1.00 0.00 N ATOM 794 CA GLY A 413 3.102 0.257 -3.017 1.00 0.00 C ATOM 795 C GLY A 413 2.760 -1.046 -3.712 1.00 0.00 C ATOM 796 O GLY A 413 1.591 -1.423 -3.801 1.00 0.00 O ATOM 0 H GLY A 413 2.040 1.506 -4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 413 4.130 0.211 -2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 413 2.463 0.373 -2.142 1.00 0.00 H new ATOM 800 N THR A 414 3.784 -1.740 -4.200 1.00 0.00 N ATOM 801 CA THR A 414 3.595 -3.011 -4.883 1.00 0.00 C ATOM 802 C THR A 414 4.269 -4.140 -4.108 1.00 0.00 C ATOM 803 O THR A 414 5.479 -4.112 -3.882 1.00 0.00 O ATOM 804 CB THR A 414 4.160 -2.932 -6.302 1.00 0.00 C ATOM 805 OG1 THR A 414 3.442 -1.987 -7.074 1.00 0.00 O ATOM 806 CG2 THR A 414 4.121 -4.253 -7.043 1.00 0.00 C ATOM 0 H THR A 414 4.757 -1.440 -4.133 1.00 0.00 H new ATOM 0 HA THR A 414 2.527 -3.221 -4.939 1.00 0.00 H new ATOM 0 HB THR A 414 5.202 -2.636 -6.179 1.00 0.00 H new ATOM 0 HG1 THR A 414 3.819 -1.949 -7.978 1.00 0.00 H new ATOM 0 HG21 THR A 414 4.537 -4.122 -8.042 1.00 0.00 H new ATOM 0 HG22 THR A 414 4.708 -4.993 -6.499 1.00 0.00 H new ATOM 0 HG23 THR A 414 3.089 -4.596 -7.122 1.00 0.00 H new ATOM 814 N GLY A 415 3.481 -5.131 -3.701 1.00 0.00 N ATOM 815 CA GLY A 415 4.028 -6.248 -2.953 1.00 0.00 C ATOM 816 C GLY A 415 3.226 -7.523 -3.128 1.00 0.00 C ATOM 817 O GLY A 415 2.027 -7.480 -3.402 1.00 0.00 O ATOM 0 H GLY A 415 2.477 -5.180 -3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 415 5.055 -6.424 -3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 415 4.062 -5.988 -1.895 1.00 0.00 H new ATOM 821 N VAL A 416 3.894 -8.661 -2.968 1.00 0.00 N ATOM 822 CA VAL A 416 3.252 -9.959 -3.107 1.00 0.00 C ATOM 823 C VAL A 416 2.884 -10.535 -1.745 1.00 0.00 C ATOM 824 O VAL A 416 3.406 -10.108 -0.715 1.00 0.00 O ATOM 825 CB VAL A 416 4.176 -10.953 -3.832 1.00 0.00 C ATOM 826 CG1 VAL A 416 3.480 -12.289 -4.048 1.00 0.00 C ATOM 827 CG2 VAL A 416 4.658 -10.372 -5.154 1.00 0.00 C ATOM 0 H VAL A 416 4.887 -8.708 -2.740 1.00 0.00 H new ATOM 0 HA VAL A 416 2.346 -9.810 -3.694 1.00 0.00 H new ATOM 0 HB VAL A 416 5.046 -11.129 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 416 4.156 -12.972 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 416 3.199 -12.713 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 416 2.586 -12.140 -4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 416 5.310 -11.090 -5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 416 3.800 -10.159 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.209 -9.450 -4.967 1.00 0.00 H new ATOM 837 N GLY A 417 1.986 -11.510 -1.750 1.00 0.00 N ATOM 838 CA GLY A 417 1.564 -12.137 -0.512 1.00 0.00 C ATOM 839 C GLY A 417 0.878 -13.470 -0.739 1.00 0.00 C ATOM 840 O GLY A 417 0.599 -13.846 -1.877 1.00 0.00 O ATOM 0 H GLY A 417 1.541 -11.879 -2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 417 2.432 -12.284 0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 417 0.885 -11.468 0.017 1.00 0.00 H new ATOM 844 N ARG A 418 0.601 -14.184 0.347 1.00 0.00 N ATOM 845 CA ARG A 418 -0.064 -15.478 0.262 1.00 0.00 C ATOM 846 C ARG A 418 -1.569 -15.295 0.092 1.00 0.00 C ATOM 847 O ARG A 418 -2.249 -16.142 -0.487 1.00 0.00 O ATOM 848 CB ARG A 418 0.224 -16.310 1.515 1.00 0.00 C ATOM 849 CG ARG A 418 1.409 -17.251 1.360 1.00 0.00 C ATOM 850 CD ARG A 418 1.118 -18.619 1.957 1.00 0.00 C ATOM 851 NE ARG A 418 0.167 -19.378 1.148 1.00 0.00 N ATOM 852 CZ ARG A 418 0.490 -20.010 0.021 1.00 0.00 C ATOM 853 NH1 ARG A 418 1.736 -19.973 -0.434 1.00 0.00 N ATOM 854 NH2 ARG A 418 -0.435 -20.678 -0.652 1.00 0.00 N ATOM 0 H ARG A 418 0.827 -13.888 1.296 1.00 0.00 H new ATOM 0 HA ARG A 418 0.325 -16.006 -0.608 1.00 0.00 H new ATOM 0 HB2 ARG A 418 0.411 -15.638 2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -0.662 -16.893 1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 418 1.653 -17.359 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 418 2.284 -16.819 1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 418 2.048 -19.181 2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 418 0.721 -18.498 2.965 1.00 0.00 H new ATOM 0 HE ARG A 418 -0.801 -19.427 1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 418 2.452 -19.459 0.080 1.00 0.00 H new ATOM 0 HH12 ARG A 418 1.978 -20.459 -1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -1.394 -20.708 -0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -0.188 -21.162 -1.515 1.00 0.00 H new ATOM 866 N ASN A 419 -2.079 -14.175 0.594 1.00 0.00 N ATOM 867 CA ASN A 419 -3.497 -13.860 0.499 1.00 0.00 C ATOM 868 C ASN A 419 -3.694 -12.367 0.257 1.00 0.00 C ATOM 869 O ASN A 419 -2.746 -11.654 -0.071 1.00 0.00 O ATOM 870 CB ASN A 419 -4.224 -14.289 1.775 1.00 0.00 C ATOM 871 CG ASN A 419 -3.902 -15.716 2.173 1.00 0.00 C ATOM 872 OD1 ASN A 419 -2.682 -15.937 2.648 1.00 0.00 O flip ATOM 873 ND2 ASN A 419 -4.740 -16.610 2.055 1.00 0.00 N flip ATOM 0 H ASN A 419 -1.525 -13.466 1.074 1.00 0.00 H new ATOM 0 HA ASN A 419 -3.918 -14.409 -0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -3.950 -13.617 2.589 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -5.299 -14.190 1.628 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -5.666 -16.395 1.685 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -4.508 -17.565 2.327 1.00 0.00 H new ATOM 880 N ILE A 420 -4.926 -11.896 0.422 1.00 0.00 N ATOM 881 CA ILE A 420 -5.232 -10.486 0.220 1.00 0.00 C ATOM 882 C ILE A 420 -4.680 -9.636 1.360 1.00 0.00 C ATOM 883 O ILE A 420 -4.245 -8.504 1.149 1.00 0.00 O ATOM 884 CB ILE A 420 -6.751 -10.247 0.109 1.00 0.00 C ATOM 885 CG1 ILE A 420 -7.379 -11.248 -0.853 1.00 0.00 C ATOM 886 CG2 ILE A 420 -7.035 -8.822 -0.339 1.00 0.00 C ATOM 887 CD1 ILE A 420 -6.766 -11.201 -2.224 1.00 0.00 C ATOM 0 H ILE A 420 -5.725 -12.468 0.694 1.00 0.00 H new ATOM 0 HA ILE A 420 -4.757 -10.192 -0.716 1.00 0.00 H new ATOM 0 HB ILE A 420 -7.196 -10.391 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -7.271 -12.253 -0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -8.448 -11.049 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -8.112 -8.671 -0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -6.619 -8.123 0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -6.578 -8.649 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -7.253 -11.935 -2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -6.897 -10.205 -2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -5.702 -11.428 -2.155 1.00 0.00 H new ATOM 899 N LYS A 421 -4.699 -10.192 2.566 1.00 0.00 N ATOM 900 CA LYS A 421 -4.200 -9.487 3.741 1.00 0.00 C ATOM 901 C LYS A 421 -2.683 -9.349 3.691 1.00 0.00 C ATOM 902 O LYS A 421 -2.137 -8.268 3.917 1.00 0.00 O ATOM 903 CB LYS A 421 -4.615 -10.223 5.016 1.00 0.00 C ATOM 904 CG LYS A 421 -4.168 -9.530 6.291 1.00 0.00 C ATOM 905 CD LYS A 421 -4.824 -10.143 7.518 1.00 0.00 C ATOM 906 CE LYS A 421 -3.925 -11.181 8.170 1.00 0.00 C ATOM 907 NZ LYS A 421 -4.040 -11.162 9.654 1.00 0.00 N ATOM 0 H LYS A 421 -5.055 -11.129 2.756 1.00 0.00 H new ATOM 0 HA LYS A 421 -4.636 -8.488 3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -5.700 -10.326 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.200 -11.231 4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -3.084 -9.600 6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -4.416 -8.470 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -5.057 -9.358 8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -5.769 -10.606 7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -4.186 -12.172 7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -2.890 -10.996 7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -3.411 -11.884 10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -3.767 -10.224 10.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -5.022 -11.364 9.929 1.00 0.00 H new ATOM 921 N ILE A 422 -2.009 -10.451 3.391 1.00 0.00 N ATOM 922 CA ILE A 422 -0.552 -10.458 3.309 1.00 0.00 C ATOM 923 C ILE A 422 -0.067 -9.552 2.186 1.00 0.00 C ATOM 924 O ILE A 422 0.684 -8.603 2.420 1.00 0.00 O ATOM 925 CB ILE A 422 -0.002 -11.886 3.093 1.00 0.00 C ATOM 926 CG1 ILE A 422 -0.243 -12.743 4.337 1.00 0.00 C ATOM 927 CG2 ILE A 422 1.485 -11.850 2.756 1.00 0.00 C ATOM 928 CD1 ILE A 422 -1.680 -13.188 4.499 1.00 0.00 C ATOM 0 H ILE A 422 -2.447 -11.352 3.200 1.00 0.00 H new ATOM 0 HA ILE A 422 -0.177 -10.082 4.261 1.00 0.00 H new ATOM 0 HB ILE A 422 -0.533 -12.331 2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 422 0.398 -13.623 4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 422 0.055 -12.178 5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 422 1.849 -12.867 2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 422 1.637 -11.274 1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 422 2.033 -11.384 3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -1.775 -13.791 5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -2.325 -12.313 4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -1.977 -13.781 3.634 1.00 0.00 H new ATOM 940 N ALA A 423 -0.498 -9.851 0.968 1.00 0.00 N ATOM 941 CA ALA A 423 -0.107 -9.065 -0.197 1.00 0.00 C ATOM 942 C ALA A 423 -0.280 -7.576 0.069 1.00 0.00 C ATOM 943 O ALA A 423 0.572 -6.765 -0.294 1.00 0.00 O ATOM 944 CB ALA A 423 -0.914 -9.486 -1.417 1.00 0.00 C ATOM 0 H ALA A 423 -1.119 -10.633 0.760 1.00 0.00 H new ATOM 0 HA ALA A 423 0.948 -9.253 -0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 423 -0.610 -8.890 -2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 423 -0.735 -10.541 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 423 -1.975 -9.329 -1.223 1.00 0.00 H new ATOM 950 N GLY A 424 -1.384 -7.227 0.717 1.00 0.00 N ATOM 951 CA GLY A 424 -1.646 -5.838 1.037 1.00 0.00 C ATOM 952 C GLY A 424 -0.584 -5.261 1.949 1.00 0.00 C ATOM 953 O GLY A 424 -0.185 -4.106 1.800 1.00 0.00 O ATOM 0 H GLY A 424 -2.103 -7.881 1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -1.691 -5.255 0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -2.622 -5.753 1.516 1.00 0.00 H new ATOM 957 N ILE A 425 -0.116 -6.075 2.892 1.00 0.00 N ATOM 958 CA ILE A 425 0.915 -5.648 3.827 1.00 0.00 C ATOM 959 C ILE A 425 2.248 -5.473 3.111 1.00 0.00 C ATOM 960 O ILE A 425 2.973 -4.507 3.349 1.00 0.00 O ATOM 961 CB ILE A 425 1.084 -6.664 4.974 1.00 0.00 C ATOM 962 CG1 ILE A 425 -0.241 -6.856 5.711 1.00 0.00 C ATOM 963 CG2 ILE A 425 2.169 -6.208 5.940 1.00 0.00 C ATOM 964 CD1 ILE A 425 -0.435 -8.255 6.252 1.00 0.00 C ATOM 0 H ILE A 425 -0.436 -7.034 3.027 1.00 0.00 H new ATOM 0 HA ILE A 425 0.600 -4.693 4.247 1.00 0.00 H new ATOM 0 HB ILE A 425 1.387 -7.620 4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -0.295 -6.146 6.536 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -1.062 -6.620 5.033 1.00 0.00 H new ATOM 0 HG21 ILE A 425 2.273 -6.939 6.742 1.00 0.00 H new ATOM 0 HG22 ILE A 425 3.116 -6.117 5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 425 1.897 -5.241 6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -1.396 -8.318 6.762 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -0.414 -8.969 5.429 1.00 0.00 H new ATOM 0 HD13 ILE A 425 0.365 -8.487 6.955 1.00 0.00 H new ATOM 976 N ARG A 426 2.561 -6.414 2.227 1.00 0.00 N ATOM 977 CA ARG A 426 3.803 -6.366 1.468 1.00 0.00 C ATOM 978 C ARG A 426 3.826 -5.144 0.561 1.00 0.00 C ATOM 979 O ARG A 426 4.836 -4.447 0.464 1.00 0.00 O ATOM 980 CB ARG A 426 3.972 -7.642 0.638 1.00 0.00 C ATOM 981 CG ARG A 426 4.916 -8.654 1.267 1.00 0.00 C ATOM 982 CD ARG A 426 5.833 -9.285 0.230 1.00 0.00 C ATOM 983 NE ARG A 426 7.207 -8.803 0.346 1.00 0.00 N ATOM 984 CZ ARG A 426 8.255 -9.412 -0.200 1.00 0.00 C ATOM 985 NH1 ARG A 426 8.091 -10.528 -0.901 1.00 0.00 N ATOM 986 NH2 ARG A 426 9.471 -8.907 -0.048 1.00 0.00 N ATOM 0 H ARG A 426 1.971 -7.219 2.019 1.00 0.00 H new ATOM 0 HA ARG A 426 4.633 -6.294 2.171 1.00 0.00 H new ATOM 0 HB2 ARG A 426 2.996 -8.106 0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 426 4.344 -7.376 -0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 426 5.516 -8.165 2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 426 4.337 -9.433 1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 426 5.818 -10.369 0.345 1.00 0.00 H new ATOM 0 HD3 ARG A 426 5.455 -9.066 -0.769 1.00 0.00 H new ATOM 0 HE ARG A 426 7.372 -7.948 0.878 1.00 0.00 H new ATOM 0 HH11 ARG A 426 7.158 -10.922 -1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 426 8.898 -10.992 -1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 426 9.604 -8.050 0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 426 10.274 -9.376 -0.468 1.00 0.00 H new ATOM 998 N ALA A 427 2.700 -4.883 -0.093 1.00 0.00 N ATOM 999 CA ALA A 427 2.588 -3.735 -0.985 1.00 0.00 C ATOM 1000 C ALA A 427 2.775 -2.439 -0.211 1.00 0.00 C ATOM 1001 O ALA A 427 3.606 -1.603 -0.566 1.00 0.00 O ATOM 1002 CB ALA A 427 1.244 -3.745 -1.697 1.00 0.00 C ATOM 0 H ALA A 427 1.854 -5.449 -0.023 1.00 0.00 H new ATOM 0 HA ALA A 427 3.375 -3.802 -1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.176 -2.882 -2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.149 -4.659 -2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.442 -3.701 -0.960 1.00 0.00 H new ATOM 1008 N ALA A 428 2.004 -2.287 0.858 1.00 0.00 N ATOM 1009 CA ALA A 428 2.092 -1.100 1.700 1.00 0.00 C ATOM 1010 C ALA A 428 3.479 -0.990 2.310 1.00 0.00 C ATOM 1011 O ALA A 428 4.032 0.103 2.434 1.00 0.00 O ATOM 1012 CB ALA A 428 1.033 -1.143 2.791 1.00 0.00 C ATOM 0 H ALA A 428 1.311 -2.970 1.163 1.00 0.00 H new ATOM 0 HA ALA A 428 1.913 -0.220 1.082 1.00 0.00 H new ATOM 0 HB1 ALA A 428 1.112 -0.250 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 428 0.043 -1.182 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 428 1.183 -2.028 3.409 1.00 0.00 H new ATOM 1018 N GLU A 429 4.043 -2.135 2.674 1.00 0.00 N ATOM 1019 CA GLU A 429 5.376 -2.173 3.257 1.00 0.00 C ATOM 1020 C GLU A 429 6.400 -1.700 2.236 1.00 0.00 C ATOM 1021 O GLU A 429 7.387 -1.049 2.579 1.00 0.00 O ATOM 1022 CB GLU A 429 5.716 -3.586 3.730 1.00 0.00 C ATOM 1023 CG GLU A 429 5.350 -3.842 5.182 1.00 0.00 C ATOM 1024 CD GLU A 429 6.136 -4.988 5.789 1.00 0.00 C ATOM 1025 OE1 GLU A 429 6.229 -6.052 5.143 1.00 0.00 O ATOM 1026 OE2 GLU A 429 6.660 -4.820 6.911 1.00 0.00 O ATOM 0 H GLU A 429 3.598 -3.048 2.576 1.00 0.00 H new ATOM 0 HA GLU A 429 5.399 -1.508 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 429 5.196 -4.307 3.100 1.00 0.00 H new ATOM 0 HB3 GLU A 429 6.784 -3.758 3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 429 5.528 -2.937 5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 429 4.284 -4.061 5.251 1.00 0.00 H new ATOM 1033 N ASN A 430 6.145 -2.022 0.970 1.00 0.00 N ATOM 1034 CA ASN A 430 7.030 -1.619 -0.112 1.00 0.00 C ATOM 1035 C ASN A 430 6.983 -0.107 -0.287 1.00 0.00 C ATOM 1036 O ASN A 430 7.992 0.528 -0.593 1.00 0.00 O ATOM 1037 CB ASN A 430 6.628 -2.316 -1.415 1.00 0.00 C ATOM 1038 CG ASN A 430 7.531 -3.486 -1.748 1.00 0.00 C ATOM 1039 OD1 ASN A 430 7.884 -3.619 -3.021 1.00 0.00 O flip ATOM 1040 ND2 ASN A 430 7.911 -4.261 -0.870 1.00 0.00 N flip ATOM 0 H ASN A 430 5.332 -2.561 0.672 1.00 0.00 H new ATOM 0 HA ASN A 430 8.049 -1.914 0.139 1.00 0.00 H new ATOM 0 HB2 ASN A 430 5.599 -2.667 -1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 430 6.655 -1.595 -2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 430 7.615 -4.122 0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 430 8.521 -5.042 -1.109 1.00 0.00 H new ATOM 1047 N ALA A 431 5.801 0.462 -0.074 1.00 0.00 N ATOM 1048 CA ALA A 431 5.613 1.901 -0.190 1.00 0.00 C ATOM 1049 C ALA A 431 6.110 2.609 1.064 1.00 0.00 C ATOM 1050 O ALA A 431 6.589 3.742 1.003 1.00 0.00 O ATOM 1051 CB ALA A 431 4.148 2.225 -0.440 1.00 0.00 C ATOM 0 H ALA A 431 4.958 -0.054 0.180 1.00 0.00 H new ATOM 0 HA ALA A 431 6.196 2.258 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 431 4.023 3.305 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 431 3.823 1.749 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 431 3.547 1.854 0.390 1.00 0.00 H new ATOM 1057 N LEU A 432 6.000 1.929 2.204 1.00 0.00 N ATOM 1058 CA LEU A 432 6.445 2.488 3.474 1.00 0.00 C ATOM 1059 C LEU A 432 7.964 2.396 3.604 1.00 0.00 C ATOM 1060 O LEU A 432 8.581 3.165 4.340 1.00 0.00 O ATOM 1061 CB LEU A 432 5.777 1.756 4.643 1.00 0.00 C ATOM 1062 CG LEU A 432 4.271 1.997 4.783 1.00 0.00 C ATOM 1063 CD1 LEU A 432 3.570 0.737 5.271 1.00 0.00 C ATOM 1064 CD2 LEU A 432 4.002 3.155 5.731 1.00 0.00 C ATOM 0 H LEU A 432 5.606 0.990 2.272 1.00 0.00 H new ATOM 0 HA LEU A 432 6.156 3.539 3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 432 5.949 0.686 4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 432 6.266 2.060 5.569 1.00 0.00 H new ATOM 0 HG LEU A 432 3.873 2.254 3.801 1.00 0.00 H new ATOM 0 HD11 LEU A 432 2.501 0.928 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 432 3.733 -0.070 4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 432 3.973 0.449 6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 432 2.927 3.312 5.818 1.00 0.00 H new ATOM 0 HD22 LEU A 432 4.416 2.925 6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 432 4.470 4.059 5.343 1.00 0.00 H new ATOM 1076 N ARG A 433 8.563 1.449 2.883 1.00 0.00 N ATOM 1077 CA ARG A 433 10.008 1.258 2.919 1.00 0.00 C ATOM 1078 C ARG A 433 10.737 2.501 2.415 1.00 0.00 C ATOM 1079 O ARG A 433 11.756 2.905 2.973 1.00 0.00 O ATOM 1080 CB ARG A 433 10.403 0.041 2.079 1.00 0.00 C ATOM 1081 CG ARG A 433 10.858 -1.149 2.908 1.00 0.00 C ATOM 1082 CD ARG A 433 11.829 -2.026 2.136 1.00 0.00 C ATOM 1083 NE ARG A 433 12.952 -1.260 1.600 1.00 0.00 N ATOM 1084 CZ ARG A 433 13.956 -0.798 2.342 1.00 0.00 C ATOM 1085 NH1 ARG A 433 13.983 -1.024 3.650 1.00 0.00 N ATOM 1086 NH2 ARG A 433 14.937 -0.109 1.776 1.00 0.00 N ATOM 0 H ARG A 433 8.068 0.803 2.268 1.00 0.00 H new ATOM 0 HA ARG A 433 10.301 1.086 3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 433 9.553 -0.258 1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 433 11.204 0.325 1.397 1.00 0.00 H new ATOM 0 HG2 ARG A 433 11.333 -0.796 3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 433 9.991 -1.739 3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 433 12.206 -2.812 2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 433 11.302 -2.517 1.318 1.00 0.00 H new ATOM 0 HE ARG A 433 12.968 -1.068 0.598 1.00 0.00 H new ATOM 0 HH11 ARG A 433 13.232 -1.554 4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 433 14.755 -0.667 4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 433 14.923 0.067 0.771 1.00 0.00 H new ATOM 0 HH22 ARG A 433 15.706 0.245 2.345 1.00 0.00 H new ATOM 1098 N ASP A 434 10.206 3.098 1.354 1.00 0.00 N ATOM 1099 CA ASP A 434 10.804 4.295 0.771 1.00 0.00 C ATOM 1100 C ASP A 434 10.774 5.454 1.760 1.00 0.00 C ATOM 1101 O ASP A 434 9.890 6.308 1.704 1.00 0.00 O ATOM 1102 CB ASP A 434 10.070 4.683 -0.513 1.00 0.00 C ATOM 1103 CG ASP A 434 10.464 3.811 -1.690 1.00 0.00 C ATOM 1104 OD1 ASP A 434 10.967 2.692 -1.457 1.00 0.00 O ATOM 1105 OD2 ASP A 434 10.267 4.247 -2.844 1.00 0.00 O ATOM 0 H ASP A 434 9.363 2.774 0.880 1.00 0.00 H new ATOM 0 HA ASP A 434 11.844 4.073 0.532 1.00 0.00 H new ATOM 0 HB2 ASP A 434 8.995 4.606 -0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 434 10.283 5.726 -0.749 1.00 0.00 H new ATOM 1110 N LYS A 435 11.748 5.479 2.664 1.00 0.00 N ATOM 1111 CA LYS A 435 11.836 6.532 3.669 1.00 0.00 C ATOM 1112 C LYS A 435 11.909 7.908 3.014 1.00 0.00 C ATOM 1113 O LYS A 435 11.324 8.872 3.506 1.00 0.00 O ATOM 1114 CB LYS A 435 13.058 6.313 4.563 1.00 0.00 C ATOM 1115 CG LYS A 435 12.791 6.578 6.035 1.00 0.00 C ATOM 1116 CD LYS A 435 13.635 5.679 6.926 1.00 0.00 C ATOM 1117 CE LYS A 435 12.813 5.086 8.059 1.00 0.00 C ATOM 1118 NZ LYS A 435 12.680 6.030 9.202 1.00 0.00 N ATOM 0 H LYS A 435 12.489 4.780 2.721 1.00 0.00 H new ATOM 0 HA LYS A 435 10.935 6.490 4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 435 13.405 5.287 4.444 1.00 0.00 H new ATOM 0 HB3 LYS A 435 13.865 6.963 4.226 1.00 0.00 H new ATOM 0 HG2 LYS A 435 13.006 7.622 6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 435 11.735 6.416 6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 435 14.067 4.875 6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 435 14.466 6.251 7.339 1.00 0.00 H new ATOM 0 HE2 LYS A 435 11.822 4.822 7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 435 13.281 4.164 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 12.113 5.588 9.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 13.624 6.262 9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 12.210 6.900 8.881 1.00 0.00 H new ATOM 1132 N LYS A 436 12.626 7.987 1.900 1.00 0.00 N ATOM 1133 CA LYS A 436 12.770 9.243 1.175 1.00 0.00 C ATOM 1134 C LYS A 436 11.418 9.728 0.679 1.00 0.00 C ATOM 1135 O LYS A 436 10.961 10.813 1.039 1.00 0.00 O ATOM 1136 CB LYS A 436 13.724 9.066 -0.004 1.00 0.00 C ATOM 1137 CG LYS A 436 15.083 8.513 0.390 1.00 0.00 C ATOM 1138 CD LYS A 436 15.167 7.014 0.144 1.00 0.00 C ATOM 1139 CE LYS A 436 15.996 6.698 -1.091 1.00 0.00 C ATOM 1140 NZ LYS A 436 17.438 7.005 -0.886 1.00 0.00 N ATOM 0 H LYS A 436 13.116 7.198 1.479 1.00 0.00 H new ATOM 0 HA LYS A 436 13.182 9.988 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 436 13.267 8.397 -0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 436 13.862 10.029 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 436 15.862 9.020 -0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 436 15.270 8.721 1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 436 15.607 6.526 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 436 14.163 6.607 0.024 1.00 0.00 H new ATOM 0 HE2 LYS A 436 15.882 5.644 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 436 15.619 7.272 -1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 18.007 6.482 -1.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 17.596 8.026 -1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 17.720 6.722 0.074 1.00 0.00 H new ATOM 1154 N MET A 437 10.781 8.909 -0.146 1.00 0.00 N ATOM 1155 CA MET A 437 9.471 9.241 -0.694 1.00 0.00 C ATOM 1156 C MET A 437 8.466 9.467 0.430 1.00 0.00 C ATOM 1157 O MET A 437 7.541 10.268 0.298 1.00 0.00 O ATOM 1158 CB MET A 437 8.986 8.123 -1.619 1.00 0.00 C ATOM 1159 CG MET A 437 7.587 8.351 -2.171 1.00 0.00 C ATOM 1160 SD MET A 437 7.521 8.257 -3.971 1.00 0.00 S ATOM 1161 CE MET A 437 6.997 9.921 -4.378 1.00 0.00 C ATOM 0 H MET A 437 11.150 8.008 -0.452 1.00 0.00 H new ATOM 0 HA MET A 437 9.559 10.161 -1.271 1.00 0.00 H new ATOM 0 HB2 MET A 437 9.683 8.023 -2.451 1.00 0.00 H new ATOM 0 HB3 MET A 437 9.003 7.179 -1.074 1.00 0.00 H new ATOM 0 HG2 MET A 437 6.909 7.609 -1.748 1.00 0.00 H new ATOM 0 HG3 MET A 437 7.230 9.329 -1.850 1.00 0.00 H new ATOM 0 HE1 MET A 437 7.587 10.294 -5.215 1.00 0.00 H new ATOM 0 HE2 MET A 437 5.942 9.913 -4.652 1.00 0.00 H new ATOM 0 HE3 MET A 437 7.143 10.570 -3.514 1.00 0.00 H new ATOM 1171 N LEU A 438 8.660 8.761 1.540 1.00 0.00 N ATOM 1172 CA LEU A 438 7.777 8.891 2.690 1.00 0.00 C ATOM 1173 C LEU A 438 8.026 10.213 3.407 1.00 0.00 C ATOM 1174 O LEU A 438 7.104 10.824 3.946 1.00 0.00 O ATOM 1175 CB LEU A 438 7.982 7.722 3.657 1.00 0.00 C ATOM 1176 CG LEU A 438 6.770 7.375 4.522 1.00 0.00 C ATOM 1177 CD1 LEU A 438 6.282 8.604 5.273 1.00 0.00 C ATOM 1178 CD2 LEU A 438 5.655 6.791 3.668 1.00 0.00 C ATOM 0 H LEU A 438 9.421 8.094 1.666 1.00 0.00 H new ATOM 0 HA LEU A 438 6.747 8.875 2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 438 8.263 6.840 3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 438 8.821 7.956 4.312 1.00 0.00 H new ATOM 0 HG LEU A 438 7.071 6.624 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 438 5.419 8.338 5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 438 7.079 8.978 5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 438 5.998 9.377 4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 438 4.801 6.550 4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 438 5.355 7.519 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 438 6.010 5.885 3.177 1.00 0.00 H new ATOM 1190 N ASP A 439 9.280 10.653 3.402 1.00 0.00 N ATOM 1191 CA ASP A 439 9.651 11.907 4.047 1.00 0.00 C ATOM 1192 C ASP A 439 9.017 13.090 3.323 1.00 0.00 C ATOM 1193 O ASP A 439 8.567 14.049 3.951 1.00 0.00 O ATOM 1194 CB ASP A 439 11.172 12.063 4.075 1.00 0.00 C ATOM 1195 CG ASP A 439 11.805 11.349 5.253 1.00 0.00 C ATOM 1196 OD1 ASP A 439 11.153 11.260 6.314 1.00 0.00 O ATOM 1197 OD2 ASP A 439 12.954 10.880 5.115 1.00 0.00 O ATOM 0 H ASP A 439 10.056 10.160 2.959 1.00 0.00 H new ATOM 0 HA ASP A 439 9.281 11.887 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 439 11.592 11.672 3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 439 11.425 13.122 4.117 1.00 0.00 H new ATOM 1202 N PHE A 440 8.985 13.013 1.998 1.00 0.00 N ATOM 1203 CA PHE A 440 8.405 14.074 1.183 1.00 0.00 C ATOM 1204 C PHE A 440 6.914 14.221 1.465 1.00 0.00 C ATOM 1205 O PHE A 440 6.403 15.334 1.596 1.00 0.00 O ATOM 1206 CB PHE A 440 8.624 13.784 -0.301 1.00 0.00 C ATOM 1207 CG PHE A 440 8.563 15.008 -1.168 1.00 0.00 C ATOM 1208 CD1 PHE A 440 7.357 15.442 -1.694 1.00 0.00 C ATOM 1209 CD2 PHE A 440 9.713 15.727 -1.456 1.00 0.00 C ATOM 1210 CE1 PHE A 440 7.298 16.570 -2.491 1.00 0.00 C ATOM 1211 CE2 PHE A 440 9.661 16.855 -2.252 1.00 0.00 C ATOM 1212 CZ PHE A 440 8.452 17.277 -2.771 1.00 0.00 C ATOM 0 H PHE A 440 9.354 12.226 1.464 1.00 0.00 H new ATOM 0 HA PHE A 440 8.902 15.009 1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 440 9.595 13.306 -0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 440 7.871 13.072 -0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 440 6.452 14.893 -1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 440 10.661 15.401 -1.053 1.00 0.00 H new ATOM 0 HE1 PHE A 440 6.351 16.898 -2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 440 10.564 17.406 -2.468 1.00 0.00 H new ATOM 0 HZ PHE A 440 8.409 18.158 -3.394 1.00 0.00 H new ATOM 1222 N TYR A 441 6.223 13.090 1.567 1.00 0.00 N ATOM 1223 CA TYR A 441 4.793 13.090 1.843 1.00 0.00 C ATOM 1224 C TYR A 441 4.547 13.324 3.321 1.00 0.00 C ATOM 1225 O TYR A 441 3.644 14.063 3.701 1.00 0.00 O ATOM 1226 CB TYR A 441 4.166 11.765 1.415 1.00 0.00 C ATOM 1227 CG TYR A 441 3.747 11.725 -0.037 1.00 0.00 C ATOM 1228 CD1 TYR A 441 4.645 11.347 -1.028 1.00 0.00 C ATOM 1229 CD2 TYR A 441 2.454 12.061 -0.415 1.00 0.00 C ATOM 1230 CE1 TYR A 441 4.265 11.306 -2.356 1.00 0.00 C ATOM 1231 CE2 TYR A 441 2.066 12.023 -1.741 1.00 0.00 C ATOM 1232 CZ TYR A 441 2.974 11.644 -2.707 1.00 0.00 C ATOM 1233 OH TYR A 441 2.591 11.605 -4.028 1.00 0.00 O ATOM 0 H TYR A 441 6.632 12.161 1.462 1.00 0.00 H new ATOM 0 HA TYR A 441 4.331 13.896 1.273 1.00 0.00 H new ATOM 0 HB2 TYR A 441 4.879 10.961 1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 441 3.295 11.568 2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 441 5.656 11.081 -0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 441 1.740 12.357 0.339 1.00 0.00 H new ATOM 0 HE1 TYR A 441 4.975 11.011 -3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 441 1.057 12.289 -2.019 1.00 0.00 H new ATOM 0 HH TYR A 441 3.107 10.917 -4.498 1.00 0.00 H new ATOM 1243 N ALA A 442 5.366 12.697 4.152 1.00 0.00 N ATOM 1244 CA ALA A 442 5.241 12.847 5.593 1.00 0.00 C ATOM 1245 C ALA A 442 5.340 14.316 5.990 1.00 0.00 C ATOM 1246 O ALA A 442 4.762 14.740 6.989 1.00 0.00 O ATOM 1247 CB ALA A 442 6.301 12.023 6.309 1.00 0.00 C ATOM 0 H ALA A 442 6.122 12.081 3.854 1.00 0.00 H new ATOM 0 HA ALA A 442 4.260 12.478 5.894 1.00 0.00 H new ATOM 0 HB1 ALA A 442 6.192 12.147 7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 442 6.180 10.971 6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 442 7.292 12.360 6.003 1.00 0.00 H new ATOM 1253 N LYS A 443 6.066 15.092 5.188 1.00 0.00 N ATOM 1254 CA LYS A 443 6.225 16.518 5.447 1.00 0.00 C ATOM 1255 C LYS A 443 5.034 17.303 4.898 1.00 0.00 C ATOM 1256 O LYS A 443 4.920 18.509 5.119 1.00 0.00 O ATOM 1257 CB LYS A 443 7.524 17.033 4.825 1.00 0.00 C ATOM 1258 CG LYS A 443 8.753 16.776 5.681 1.00 0.00 C ATOM 1259 CD LYS A 443 8.739 17.622 6.945 1.00 0.00 C ATOM 1260 CE LYS A 443 9.348 16.879 8.124 1.00 0.00 C ATOM 1261 NZ LYS A 443 10.572 17.555 8.635 1.00 0.00 N ATOM 0 H LYS A 443 6.552 14.757 4.356 1.00 0.00 H new ATOM 0 HA LYS A 443 6.270 16.664 6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 443 7.664 16.560 3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 443 7.432 18.105 4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 443 8.797 15.720 5.949 1.00 0.00 H new ATOM 0 HG3 LYS A 443 9.652 16.996 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 443 9.292 18.545 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 443 7.713 17.904 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 443 8.613 16.805 8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 443 9.595 15.861 7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 10.956 17.017 9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 11.284 17.603 7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 10.332 18.518 8.946 1.00 0.00 H new ATOM 1275 N GLN A 444 4.147 16.609 4.189 1.00 0.00 N ATOM 1276 CA GLN A 444 2.963 17.232 3.620 1.00 0.00 C ATOM 1277 C GLN A 444 1.711 16.709 4.310 1.00 0.00 C ATOM 1278 O GLN A 444 0.850 17.481 4.729 1.00 0.00 O ATOM 1279 CB GLN A 444 2.885 16.965 2.115 1.00 0.00 C ATOM 1280 CG GLN A 444 4.162 17.314 1.368 1.00 0.00 C ATOM 1281 CD GLN A 444 4.112 18.692 0.740 1.00 0.00 C ATOM 1282 OE1 GLN A 444 4.043 18.828 -0.482 1.00 0.00 O ATOM 1283 NE2 GLN A 444 4.146 19.725 1.574 1.00 0.00 N ATOM 0 H GLN A 444 4.230 15.611 3.996 1.00 0.00 H new ATOM 0 HA GLN A 444 3.030 18.308 3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 444 2.655 15.912 1.953 1.00 0.00 H new ATOM 0 HB3 GLN A 444 2.060 17.540 1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 444 5.006 17.263 2.056 1.00 0.00 H new ATOM 0 HG3 GLN A 444 4.338 16.571 0.591 1.00 0.00 H new ATOM 0 HE21 GLN A 444 4.203 19.567 2.580 1.00 0.00 H new ATOM 0 HE22 GLN A 444 4.115 20.677 1.209 1.00 0.00 H new ATOM 1292 N ARG A 445 1.626 15.390 4.432 1.00 0.00 N ATOM 1293 CA ARG A 445 0.484 14.757 5.084 1.00 0.00 C ATOM 1294 C ARG A 445 0.461 15.101 6.567 1.00 0.00 C ATOM 1295 O ARG A 445 -0.579 15.464 7.118 1.00 0.00 O ATOM 1296 CB ARG A 445 0.536 13.239 4.904 1.00 0.00 C ATOM 1297 CG ARG A 445 -0.817 12.564 5.055 1.00 0.00 C ATOM 1298 CD ARG A 445 -0.798 11.510 6.150 1.00 0.00 C ATOM 1299 NE ARG A 445 -0.857 12.104 7.483 1.00 0.00 N ATOM 1300 CZ ARG A 445 -1.932 12.714 7.975 1.00 0.00 C ATOM 1301 NH1 ARG A 445 -3.040 12.810 7.249 1.00 0.00 N ATOM 1302 NH2 ARG A 445 -1.902 13.228 9.197 1.00 0.00 N ATOM 0 H ARG A 445 2.332 14.738 4.089 1.00 0.00 H new ATOM 0 HA ARG A 445 -0.426 15.135 4.619 1.00 0.00 H new ATOM 0 HB2 ARG A 445 0.938 13.012 3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 445 1.227 12.818 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 445 -1.575 13.314 5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 445 -1.101 12.102 4.110 1.00 0.00 H new ATOM 0 HD2 ARG A 445 -1.642 10.834 6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 445 0.108 10.910 6.060 1.00 0.00 H new ATOM 0 HE ARG A 445 -0.025 12.048 8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 445 -3.070 12.415 6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 445 -3.861 13.279 7.631 1.00 0.00 H new ATOM 0 HH21 ARG A 445 -1.055 13.156 9.760 1.00 0.00 H new ATOM 0 HH22 ARG A 445 -2.726 13.696 9.574 1.00 0.00 H new ATOM 1314 N ALA A 446 1.619 14.989 7.205 1.00 0.00 N ATOM 1315 CA ALA A 446 1.744 15.292 8.624 1.00 0.00 C ATOM 1316 C ALA A 446 1.729 16.798 8.859 1.00 0.00 C ATOM 1317 O ALA A 446 1.299 17.270 9.912 1.00 0.00 O ATOM 1318 CB ALA A 446 3.022 14.684 9.182 1.00 0.00 C ATOM 0 H ALA A 446 2.487 14.690 6.760 1.00 0.00 H new ATOM 0 HA ALA A 446 0.891 14.856 9.144 1.00 0.00 H new ATOM 0 HB1 ALA A 446 3.103 14.918 10.243 1.00 0.00 H new ATOM 0 HB2 ALA A 446 2.998 13.602 9.050 1.00 0.00 H new ATOM 0 HB3 ALA A 446 3.882 15.095 8.653 1.00 0.00 H new