USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 630 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 368 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 369 ASN : amide:sc= -4.21! C(o=-4.2!,f=-7.9!) USER MOD Single : A 371 LYS NZ :NH3+ 157:sc= -1.95! (180deg=-3.24!) 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= -6.49! C(o=-6.5!,f=-6.1!) USER MOD Single : A 387 TYR OH : rot 17:sc= -3.17! USER MOD Single : A 389 THR OG1 : rot 146:sc= -1.84! 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 -140:sc= -1.74! USER MOD Single : A 399 ASN : amide:sc= -1.45! C(o=-1.5!,f=-5.7!) USER MOD Single : A 400 SER OG : rot -3:sc= -0.572 USER MOD Single : A 404 CYS SG : rot -80:sc= -4.58 USER MOD Single : A 410 THR OG1 : rot 180:sc= 0 USER MOD Single : A 414 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 419 ASN : amide:sc= -0.27 K(o=-0.27,f=-3.4!) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -0.495! C(o=-0.49!,f=-10!) USER MOD Single : A 435 LYS NZ :NH3+ -128:sc= -0.581 (180deg=-1.8!) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 MET CE :methyl 138:sc= -2.41 (180deg=-7.23!) USER MOD Single : A 441 TYR OH : rot 120:sc= -2.06! USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 GLN : amide:sc= -2.43! K(o=-2.4!,f=-1) USER MOD ----------------------------------------------------------------- ATOM 40 N ASP A 367 -7.990 -6.862 7.064 1.00 0.00 N ATOM 41 CA ASP A 367 -9.178 -6.121 6.657 1.00 0.00 C ATOM 42 C ASP A 367 -9.795 -6.732 5.404 1.00 0.00 C ATOM 43 O ASP A 367 -9.380 -7.802 4.955 1.00 0.00 O ATOM 44 CB ASP A 367 -8.828 -4.652 6.404 1.00 0.00 C ATOM 45 CG ASP A 367 -8.701 -3.860 7.691 1.00 0.00 C ATOM 46 OD1 ASP A 367 -8.078 -4.371 8.645 1.00 0.00 O ATOM 47 OD2 ASP A 367 -9.226 -2.727 7.744 1.00 0.00 O ATOM 0 HA ASP A 367 -9.907 -6.179 7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 367 -7.891 -4.594 5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 367 -9.597 -4.201 5.777 1.00 0.00 H new ATOM 52 N MET A 368 -10.787 -6.050 4.842 1.00 0.00 N ATOM 53 CA MET A 368 -11.459 -6.532 3.642 1.00 0.00 C ATOM 54 C MET A 368 -11.008 -5.755 2.410 1.00 0.00 C ATOM 55 O MET A 368 -10.714 -6.342 1.367 1.00 0.00 O ATOM 56 CB MET A 368 -12.978 -6.423 3.798 1.00 0.00 C ATOM 57 CG MET A 368 -13.414 -5.639 5.026 1.00 0.00 C ATOM 58 SD MET A 368 -15.207 -5.596 5.222 1.00 0.00 S ATOM 59 CE MET A 368 -15.376 -6.125 6.925 1.00 0.00 C ATOM 0 H MET A 368 -11.143 -5.163 5.198 1.00 0.00 H new ATOM 0 HA MET A 368 -11.189 -7.579 3.507 1.00 0.00 H new ATOM 0 HB2 MET A 368 -13.392 -5.947 2.909 1.00 0.00 H new ATOM 0 HB3 MET A 368 -13.402 -7.426 3.849 1.00 0.00 H new ATOM 0 HG2 MET A 368 -12.966 -6.084 5.914 1.00 0.00 H new ATOM 0 HG3 MET A 368 -13.036 -4.619 4.955 1.00 0.00 H new ATOM 0 HE1 MET A 368 -16.432 -6.149 7.196 1.00 0.00 H new ATOM 0 HE2 MET A 368 -14.949 -7.121 7.041 1.00 0.00 H new ATOM 0 HE3 MET A 368 -14.850 -5.427 7.577 1.00 0.00 H new ATOM 69 N ASN A 369 -10.958 -4.434 2.533 1.00 0.00 N ATOM 70 CA ASN A 369 -10.547 -3.581 1.425 1.00 0.00 C ATOM 71 C ASN A 369 -9.407 -2.655 1.833 1.00 0.00 C ATOM 72 O ASN A 369 -9.618 -1.475 2.113 1.00 0.00 O ATOM 73 CB ASN A 369 -11.733 -2.754 0.942 1.00 0.00 C ATOM 74 CG ASN A 369 -12.246 -3.205 -0.412 1.00 0.00 C ATOM 75 OD1 ASN A 369 -11.494 -3.262 -1.385 1.00 0.00 O ATOM 76 ND2 ASN A 369 -13.532 -3.528 -0.479 1.00 0.00 N ATOM 0 H ASN A 369 -11.197 -3.931 3.388 1.00 0.00 H new ATOM 0 HA ASN A 369 -10.193 -4.222 0.618 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -12.539 -2.821 1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -11.441 -1.705 0.885 1.00 0.00 H new ATOM 0 HD21 ASN A 369 -13.934 -3.839 -1.363 1.00 0.00 H new ATOM 0 HD22 ASN A 369 -14.118 -3.465 0.354 1.00 0.00 H new ATOM 83 N ALA A 370 -8.200 -3.198 1.845 1.00 0.00 N ATOM 84 CA ALA A 370 -7.015 -2.424 2.196 1.00 0.00 C ATOM 85 C ALA A 370 -6.526 -1.622 1.003 1.00 0.00 C ATOM 86 O ALA A 370 -6.444 -0.399 1.057 1.00 0.00 O ATOM 87 CB ALA A 370 -5.905 -3.319 2.708 1.00 0.00 C ATOM 0 H ALA A 370 -8.013 -4.174 1.615 1.00 0.00 H new ATOM 0 HA ALA A 370 -7.296 -1.736 2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -5.036 -2.712 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -6.247 -3.851 3.596 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -5.633 -4.039 1.936 1.00 0.00 H new ATOM 93 N LYS A 371 -6.208 -2.321 -0.079 1.00 0.00 N ATOM 94 CA LYS A 371 -5.737 -1.665 -1.293 1.00 0.00 C ATOM 95 C LYS A 371 -6.805 -0.703 -1.797 1.00 0.00 C ATOM 96 O LYS A 371 -6.518 0.257 -2.501 1.00 0.00 O ATOM 97 CB LYS A 371 -5.393 -2.695 -2.373 1.00 0.00 C ATOM 98 CG LYS A 371 -6.220 -3.968 -2.294 1.00 0.00 C ATOM 99 CD LYS A 371 -5.499 -5.055 -1.510 1.00 0.00 C ATOM 100 CE LYS A 371 -4.445 -5.749 -2.360 1.00 0.00 C ATOM 101 NZ LYS A 371 -3.247 -4.890 -2.568 1.00 0.00 N ATOM 0 H LYS A 371 -6.267 -3.337 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 371 -4.829 -1.108 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -5.536 -2.241 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -4.337 -2.953 -2.292 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -7.178 -3.752 -1.821 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -6.435 -4.326 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -5.028 -4.618 -0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -6.222 -5.789 -1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -4.145 -6.680 -1.879 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -4.874 -6.014 -3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -2.426 -5.488 -2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -3.423 -4.233 -3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -3.054 -4.348 -1.702 1.00 0.00 H new ATOM 115 N ARG A 372 -8.036 -0.971 -1.389 1.00 0.00 N ATOM 116 CA ARG A 372 -9.162 -0.126 -1.756 1.00 0.00 C ATOM 117 C ARG A 372 -9.184 1.104 -0.871 1.00 0.00 C ATOM 118 O ARG A 372 -9.125 2.234 -1.354 1.00 0.00 O ATOM 119 CB ARG A 372 -10.489 -0.871 -1.632 1.00 0.00 C ATOM 120 CG ARG A 372 -11.700 0.053 -1.680 1.00 0.00 C ATOM 121 CD ARG A 372 -12.405 -0.032 -3.023 1.00 0.00 C ATOM 122 NE ARG A 372 -13.254 1.131 -3.271 1.00 0.00 N ATOM 123 CZ ARG A 372 -12.804 2.277 -3.772 1.00 0.00 C ATOM 124 NH1 ARG A 372 -11.520 2.410 -4.081 1.00 0.00 N ATOM 125 NH2 ARG A 372 -13.637 3.291 -3.965 1.00 0.00 N ATOM 0 H ARG A 372 -8.281 -1.769 -0.802 1.00 0.00 H new ATOM 0 HA ARG A 372 -9.037 0.166 -2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -10.565 -1.602 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -10.501 -1.427 -0.694 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -12.395 -0.213 -0.884 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -11.384 1.080 -1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -11.663 -0.115 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -13.011 -0.937 -3.057 1.00 0.00 H new ATOM 0 HE ARG A 372 -14.247 1.060 -3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -10.877 1.632 -3.934 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -11.176 3.290 -4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -14.624 3.192 -3.729 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -13.290 4.170 -4.350 1.00 0.00 H new ATOM 139 N GLN A 373 -9.262 0.877 0.432 1.00 0.00 N ATOM 140 CA GLN A 373 -9.283 1.972 1.384 1.00 0.00 C ATOM 141 C GLN A 373 -8.031 2.822 1.211 1.00 0.00 C ATOM 142 O GLN A 373 -8.106 4.029 1.040 1.00 0.00 O ATOM 143 CB GLN A 373 -9.394 1.419 2.804 1.00 0.00 C ATOM 144 CG GLN A 373 -9.415 2.487 3.881 1.00 0.00 C ATOM 145 CD GLN A 373 -10.751 2.576 4.592 1.00 0.00 C ATOM 146 OE1 GLN A 373 -11.791 2.760 3.961 1.00 0.00 O ATOM 147 NE2 GLN A 373 -10.729 2.443 5.913 1.00 0.00 N ATOM 0 H GLN A 373 -9.311 -0.052 0.851 1.00 0.00 H new ATOM 0 HA GLN A 373 -10.151 2.606 1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 373 -10.303 0.822 2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -8.555 0.748 2.988 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -8.633 2.276 4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -9.181 3.453 3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -9.843 2.292 6.396 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -11.598 2.492 6.445 1.00 0.00 H new ATOM 156 N LEU A 374 -6.890 2.161 1.202 1.00 0.00 N ATOM 157 CA LEU A 374 -5.620 2.832 0.999 1.00 0.00 C ATOM 158 C LEU A 374 -5.710 3.713 -0.245 1.00 0.00 C ATOM 159 O LEU A 374 -5.595 4.936 -0.165 1.00 0.00 O ATOM 160 CB LEU A 374 -4.506 1.791 0.854 1.00 0.00 C ATOM 161 CG LEU A 374 -3.085 2.345 0.895 1.00 0.00 C ATOM 162 CD1 LEU A 374 -2.697 2.923 -0.452 1.00 0.00 C ATOM 163 CD2 LEU A 374 -2.960 3.389 1.991 1.00 0.00 C ATOM 0 H LEU A 374 -6.816 1.152 1.334 1.00 0.00 H new ATOM 0 HA LEU A 374 -5.389 3.463 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 374 -4.614 1.054 1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -4.645 1.263 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 374 -2.399 1.529 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 374 -1.680 3.313 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 374 -2.749 2.143 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU A 374 -3.382 3.730 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 374 -1.941 3.777 2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 374 -3.655 4.206 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 374 -3.193 2.935 2.954 1.00 0.00 H new ATOM 175 N TYR A 375 -5.925 3.078 -1.394 1.00 0.00 N ATOM 176 CA TYR A 375 -6.041 3.798 -2.663 1.00 0.00 C ATOM 177 C TYR A 375 -6.920 5.023 -2.495 1.00 0.00 C ATOM 178 O TYR A 375 -6.701 6.066 -3.108 1.00 0.00 O ATOM 179 CB TYR A 375 -6.636 2.903 -3.740 1.00 0.00 C ATOM 180 CG TYR A 375 -6.321 3.354 -5.149 1.00 0.00 C ATOM 181 CD1 TYR A 375 -5.096 3.935 -5.459 1.00 0.00 C ATOM 182 CD2 TYR A 375 -7.251 3.202 -6.170 1.00 0.00 C ATOM 183 CE1 TYR A 375 -4.810 4.351 -6.744 1.00 0.00 C ATOM 184 CE2 TYR A 375 -6.970 3.614 -7.458 1.00 0.00 C ATOM 185 CZ TYR A 375 -5.748 4.188 -7.740 1.00 0.00 C ATOM 186 OH TYR A 375 -5.464 4.602 -9.022 1.00 0.00 O ATOM 0 H TYR A 375 -6.023 2.066 -1.474 1.00 0.00 H new ATOM 0 HA TYR A 375 -5.040 4.104 -2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -6.265 1.887 -3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -7.718 2.867 -3.613 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.357 4.063 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -8.210 2.754 -5.953 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -3.855 4.802 -6.968 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -7.704 3.487 -8.240 1.00 0.00 H new ATOM 0 HH TYR A 375 -6.230 4.414 -9.604 1.00 0.00 H new ATOM 196 N SER A 376 -7.912 4.881 -1.638 1.00 0.00 N ATOM 197 CA SER A 376 -8.831 5.972 -1.351 1.00 0.00 C ATOM 198 C SER A 376 -8.128 7.009 -0.477 1.00 0.00 C ATOM 199 O SER A 376 -8.174 8.211 -0.742 1.00 0.00 O ATOM 200 CB SER A 376 -10.087 5.434 -0.653 1.00 0.00 C ATOM 201 OG SER A 376 -10.714 6.441 0.123 1.00 0.00 O ATOM 0 H SER A 376 -8.105 4.020 -1.126 1.00 0.00 H new ATOM 0 HA SER A 376 -9.138 6.446 -2.283 1.00 0.00 H new ATOM 0 HB2 SER A 376 -10.787 5.057 -1.399 1.00 0.00 H new ATOM 0 HB3 SER A 376 -9.819 4.593 -0.014 1.00 0.00 H new ATOM 0 HG SER A 376 -11.512 6.071 0.555 1.00 0.00 H new ATOM 207 N LEU A 377 -7.482 6.512 0.568 1.00 0.00 N ATOM 208 CA LEU A 377 -6.757 7.338 1.518 1.00 0.00 C ATOM 209 C LEU A 377 -5.585 8.062 0.859 1.00 0.00 C ATOM 210 O LEU A 377 -5.558 9.292 0.802 1.00 0.00 O ATOM 211 CB LEU A 377 -6.266 6.463 2.674 1.00 0.00 C ATOM 212 CG LEU A 377 -7.242 6.347 3.843 1.00 0.00 C ATOM 213 CD1 LEU A 377 -8.595 5.875 3.345 1.00 0.00 C ATOM 214 CD2 LEU A 377 -6.706 5.397 4.902 1.00 0.00 C ATOM 0 H LEU A 377 -7.447 5.515 0.781 1.00 0.00 H new ATOM 0 HA LEU A 377 -7.434 8.103 1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -6.056 5.464 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.324 6.867 3.043 1.00 0.00 H new ATOM 0 HG LEU A 377 -7.356 7.331 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -9.284 5.795 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -8.986 6.590 2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -8.488 4.900 2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -7.418 5.330 5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -6.563 4.409 4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -5.753 5.770 5.276 1.00 0.00 H new ATOM 226 N ILE A 378 -4.613 7.297 0.372 1.00 0.00 N ATOM 227 CA ILE A 378 -3.434 7.873 -0.270 1.00 0.00 C ATOM 228 C ILE A 378 -3.520 7.777 -1.791 1.00 0.00 C ATOM 229 O ILE A 378 -3.202 8.733 -2.496 1.00 0.00 O ATOM 230 CB ILE A 378 -2.178 7.131 0.205 1.00 0.00 C ATOM 231 CG1 ILE A 378 -1.981 7.332 1.706 1.00 0.00 C ATOM 232 CG2 ILE A 378 -0.961 7.584 -0.567 1.00 0.00 C ATOM 233 CD1 ILE A 378 -0.946 6.404 2.304 1.00 0.00 C ATOM 0 H ILE A 378 -4.617 6.278 0.409 1.00 0.00 H new ATOM 0 HA ILE A 378 -3.384 8.926 0.007 1.00 0.00 H new ATOM 0 HB ILE A 378 -2.313 6.066 0.016 1.00 0.00 H new ATOM 0 HG12 ILE A 378 -1.684 8.364 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 378 -2.933 7.179 2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 378 -0.083 7.044 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 378 -1.107 7.382 -1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 378 -0.813 8.654 -0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 378 -0.856 6.600 3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 378 -1.252 5.369 2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 378 0.017 6.573 1.822 1.00 0.00 H new ATOM 245 N GLY A 379 -3.932 6.612 -2.284 1.00 0.00 N ATOM 246 CA GLY A 379 -4.036 6.396 -3.720 1.00 0.00 C ATOM 247 C GLY A 379 -4.314 7.666 -4.503 1.00 0.00 C ATOM 248 O GLY A 379 -5.383 8.262 -4.378 1.00 0.00 O ATOM 0 H GLY A 379 -4.197 5.809 -1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -3.109 5.951 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -4.831 5.677 -3.915 1.00 0.00 H new ATOM 252 N TYR A 380 -3.342 8.071 -5.316 1.00 0.00 N ATOM 253 CA TYR A 380 -3.469 9.271 -6.135 1.00 0.00 C ATOM 254 C TYR A 380 -2.736 9.093 -7.459 1.00 0.00 C ATOM 255 O TYR A 380 -1.568 8.703 -7.485 1.00 0.00 O ATOM 256 CB TYR A 380 -2.911 10.488 -5.394 1.00 0.00 C ATOM 257 CG TYR A 380 -3.857 11.066 -4.365 1.00 0.00 C ATOM 258 CD1 TYR A 380 -5.142 11.458 -4.717 1.00 0.00 C ATOM 259 CD2 TYR A 380 -3.461 11.221 -3.043 1.00 0.00 C ATOM 260 CE1 TYR A 380 -6.008 11.988 -3.779 1.00 0.00 C ATOM 261 CE2 TYR A 380 -4.320 11.750 -2.099 1.00 0.00 C ATOM 262 CZ TYR A 380 -5.592 12.132 -2.472 1.00 0.00 C ATOM 263 OH TYR A 380 -6.452 12.659 -1.536 1.00 0.00 O ATOM 0 H TYR A 380 -2.453 7.582 -5.425 1.00 0.00 H new ATOM 0 HA TYR A 380 -4.528 9.435 -6.336 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -1.981 10.206 -4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.664 11.262 -6.121 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -5.470 11.347 -5.740 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -2.466 10.923 -2.748 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -7.005 12.288 -4.068 1.00 0.00 H new ATOM 0 HE2 TYR A 380 -3.997 11.864 -1.075 1.00 0.00 H new ATOM 0 HH TYR A 380 -6.006 12.692 -0.664 1.00 0.00 H new ATOM 273 N ALA A 381 -3.425 9.379 -8.557 1.00 0.00 N ATOM 274 CA ALA A 381 -2.835 9.247 -9.883 1.00 0.00 C ATOM 275 C ALA A 381 -1.414 9.802 -9.907 1.00 0.00 C ATOM 276 O ALA A 381 -0.590 9.386 -10.722 1.00 0.00 O ATOM 277 CB ALA A 381 -3.689 9.946 -10.930 1.00 0.00 C ATOM 0 H ALA A 381 -4.392 9.704 -8.555 1.00 0.00 H new ATOM 0 HA ALA A 381 -2.794 8.184 -10.122 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -3.227 9.833 -11.911 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -4.684 9.501 -10.944 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -3.769 11.005 -10.686 1.00 0.00 H new ATOM 283 N SER A 382 -1.136 10.744 -9.012 1.00 0.00 N ATOM 284 CA SER A 382 0.184 11.360 -8.933 1.00 0.00 C ATOM 285 C SER A 382 1.119 10.553 -8.036 1.00 0.00 C ATOM 286 O SER A 382 2.336 10.575 -8.216 1.00 0.00 O ATOM 287 CB SER A 382 0.067 12.793 -8.408 1.00 0.00 C ATOM 288 OG SER A 382 1.266 13.203 -7.773 1.00 0.00 O ATOM 0 H SER A 382 -1.807 11.098 -8.331 1.00 0.00 H new ATOM 0 HA SER A 382 0.607 11.377 -9.938 1.00 0.00 H new ATOM 0 HB2 SER A 382 -0.161 13.468 -9.233 1.00 0.00 H new ATOM 0 HB3 SER A 382 -0.762 12.859 -7.704 1.00 0.00 H new ATOM 0 HG SER A 382 1.166 14.122 -7.448 1.00 0.00 H new ATOM 294 N LEU A 383 0.546 9.844 -7.067 1.00 0.00 N ATOM 295 CA LEU A 383 1.339 9.037 -6.145 1.00 0.00 C ATOM 296 C LEU A 383 1.625 7.657 -6.726 1.00 0.00 C ATOM 297 O LEU A 383 2.480 6.928 -6.226 1.00 0.00 O ATOM 298 CB LEU A 383 0.606 8.892 -4.811 1.00 0.00 C ATOM 299 CG LEU A 383 1.385 9.377 -3.590 1.00 0.00 C ATOM 300 CD1 LEU A 383 0.862 8.717 -2.326 1.00 0.00 C ATOM 301 CD2 LEU A 383 2.870 9.098 -3.761 1.00 0.00 C ATOM 0 H LEU A 383 -0.460 9.812 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 383 2.290 9.546 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 383 -0.332 9.444 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 383 0.350 7.842 -4.666 1.00 0.00 H new ATOM 0 HG LEU A 383 1.244 10.454 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 383 1.429 9.075 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 383 -0.191 8.966 -2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 383 0.972 7.636 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 383 3.410 9.450 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 383 3.028 8.026 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 383 3.238 9.618 -4.645 1.00 0.00 H new ATOM 313 N ARG A 384 0.908 7.315 -7.789 1.00 0.00 N ATOM 314 CA ARG A 384 1.077 6.028 -8.458 1.00 0.00 C ATOM 315 C ARG A 384 1.507 4.929 -7.488 1.00 0.00 C ATOM 316 O ARG A 384 2.482 4.220 -7.740 1.00 0.00 O ATOM 317 CB ARG A 384 2.103 6.154 -9.585 1.00 0.00 C ATOM 318 CG ARG A 384 1.549 5.793 -10.953 1.00 0.00 C ATOM 319 CD ARG A 384 1.329 4.295 -11.085 1.00 0.00 C ATOM 320 NE ARG A 384 0.726 3.939 -12.366 1.00 0.00 N ATOM 321 CZ ARG A 384 -0.586 3.903 -12.578 1.00 0.00 C ATOM 322 NH1 ARG A 384 -1.428 4.206 -11.600 1.00 0.00 N ATOM 323 NH2 ARG A 384 -1.056 3.564 -13.771 1.00 0.00 N ATOM 0 H ARG A 384 0.199 7.915 -8.210 1.00 0.00 H new ATOM 0 HA ARG A 384 0.108 5.745 -8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 384 2.477 7.177 -9.612 1.00 0.00 H new ATOM 0 HB3 ARG A 384 2.954 5.509 -9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 384 0.607 6.316 -11.115 1.00 0.00 H new ATOM 0 HG3 ARG A 384 2.238 6.131 -11.727 1.00 0.00 H new ATOM 0 HD2 ARG A 384 2.283 3.778 -10.978 1.00 0.00 H new ATOM 0 HD3 ARG A 384 0.687 3.951 -10.274 1.00 0.00 H new ATOM 0 HE ARG A 384 1.346 3.705 -13.142 1.00 0.00 H new ATOM 0 HH11 ARG A 384 -1.070 4.468 -10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 384 -2.434 4.177 -11.766 1.00 0.00 H new ATOM 0 HH21 ARG A 384 -0.411 3.331 -14.526 1.00 0.00 H new ATOM 0 HH22 ARG A 384 -2.063 3.536 -13.934 1.00 0.00 H new ATOM 337 N LEU A 385 0.772 4.774 -6.389 1.00 0.00 N ATOM 338 CA LEU A 385 1.088 3.741 -5.410 1.00 0.00 C ATOM 339 C LEU A 385 0.916 2.360 -6.036 1.00 0.00 C ATOM 340 O LEU A 385 0.105 2.179 -6.944 1.00 0.00 O ATOM 341 CB LEU A 385 0.202 3.895 -4.166 1.00 0.00 C ATOM 342 CG LEU A 385 -1.268 4.210 -4.443 1.00 0.00 C ATOM 343 CD1 LEU A 385 -1.753 3.478 -5.682 1.00 0.00 C ATOM 344 CD2 LEU A 385 -2.117 3.831 -3.245 1.00 0.00 C ATOM 0 H LEU A 385 -0.040 5.346 -6.157 1.00 0.00 H new ATOM 0 HA LEU A 385 2.127 3.851 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 385 0.256 2.974 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 385 0.615 4.688 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 385 -1.362 5.281 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -2.801 3.718 -5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.160 3.787 -6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.646 2.403 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -3.162 4.060 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -2.011 2.764 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -1.789 4.396 -2.373 1.00 0.00 H new ATOM 356 N HIS A 386 1.687 1.386 -5.564 1.00 0.00 N ATOM 357 CA HIS A 386 1.605 0.031 -6.102 1.00 0.00 C ATOM 358 C HIS A 386 1.988 -1.003 -5.056 1.00 0.00 C ATOM 359 O HIS A 386 2.504 -0.668 -3.990 1.00 0.00 O ATOM 360 CB HIS A 386 2.509 -0.118 -7.330 1.00 0.00 C ATOM 361 CG HIS A 386 3.975 -0.050 -7.020 1.00 0.00 C ATOM 362 ND1 HIS A 386 4.698 -1.113 -6.509 1.00 0.00 N ATOM 363 CD2 HIS A 386 4.860 0.964 -7.168 1.00 0.00 C ATOM 364 CE1 HIS A 386 5.959 -0.750 -6.357 1.00 0.00 C ATOM 365 NE2 HIS A 386 6.083 0.503 -6.751 1.00 0.00 N ATOM 0 H HIS A 386 2.370 1.507 -4.817 1.00 0.00 H new ATOM 0 HA HIS A 386 0.570 -0.142 -6.396 1.00 0.00 H new ATOM 0 HB2 HIS A 386 2.294 -1.071 -7.813 1.00 0.00 H new ATOM 0 HB3 HIS A 386 2.263 0.665 -8.047 1.00 0.00 H new ATOM 0 HD2 HIS A 386 4.643 1.953 -7.545 1.00 0.00 H new ATOM 0 HE1 HIS A 386 6.754 -1.373 -5.975 1.00 0.00 H new ATOM 0 HE2 HIS A 386 6.949 1.042 -6.746 1.00 0.00 H new ATOM 374 N TYR A 387 1.730 -2.265 -5.372 1.00 0.00 N ATOM 375 CA TYR A 387 2.044 -3.357 -4.467 1.00 0.00 C ATOM 376 C TYR A 387 3.098 -4.270 -5.074 1.00 0.00 C ATOM 377 O TYR A 387 2.953 -4.744 -6.201 1.00 0.00 O ATOM 378 CB TYR A 387 0.774 -4.138 -4.137 1.00 0.00 C ATOM 379 CG TYR A 387 -0.356 -3.238 -3.703 1.00 0.00 C ATOM 380 CD1 TYR A 387 -1.167 -2.608 -4.638 1.00 0.00 C ATOM 381 CD2 TYR A 387 -0.594 -2.997 -2.357 1.00 0.00 C ATOM 382 CE1 TYR A 387 -2.188 -1.766 -4.241 1.00 0.00 C ATOM 383 CE2 TYR A 387 -1.609 -2.155 -1.954 1.00 0.00 C ATOM 384 CZ TYR A 387 -2.404 -1.542 -2.899 1.00 0.00 C ATOM 385 OH TYR A 387 -3.415 -0.699 -2.501 1.00 0.00 O ATOM 0 H TYR A 387 1.303 -2.556 -6.251 1.00 0.00 H new ATOM 0 HA TYR A 387 2.450 -2.945 -3.544 1.00 0.00 H new ATOM 0 HB2 TYR A 387 0.464 -4.710 -5.012 1.00 0.00 H new ATOM 0 HB3 TYR A 387 0.987 -4.857 -3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -0.997 -2.779 -5.691 1.00 0.00 H new ATOM 0 HD2 TYR A 387 0.026 -3.476 -1.614 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -2.814 -1.286 -4.979 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -1.780 -1.977 -0.903 1.00 0.00 H new ATOM 0 HH TYR A 387 -4.038 -0.562 -3.245 1.00 0.00 H new ATOM 395 N VAL A 388 4.159 -4.502 -4.319 1.00 0.00 N ATOM 396 CA VAL A 388 5.249 -5.346 -4.774 1.00 0.00 C ATOM 397 C VAL A 388 5.293 -6.649 -3.990 1.00 0.00 C ATOM 398 O VAL A 388 5.191 -6.644 -2.769 1.00 0.00 O ATOM 399 CB VAL A 388 6.601 -4.629 -4.621 1.00 0.00 C ATOM 400 CG1 VAL A 388 6.694 -3.945 -3.266 1.00 0.00 C ATOM 401 CG2 VAL A 388 7.743 -5.607 -4.809 1.00 0.00 C ATOM 0 H VAL A 388 4.288 -4.115 -3.384 1.00 0.00 H new ATOM 0 HA VAL A 388 5.071 -5.563 -5.827 1.00 0.00 H new ATOM 0 HB VAL A 388 6.675 -3.863 -5.393 1.00 0.00 H new ATOM 0 HG11 VAL A 388 7.658 -3.443 -3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 388 5.893 -3.211 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 388 6.598 -4.689 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 388 8.692 -5.083 -4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 388 7.674 -6.396 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 388 7.686 -6.046 -5.805 1.00 0.00 H new ATOM 411 N THR A 389 5.454 -7.763 -4.696 1.00 0.00 N ATOM 412 CA THR A 389 5.520 -9.066 -4.049 1.00 0.00 C ATOM 413 C THR A 389 6.964 -9.518 -3.872 1.00 0.00 C ATOM 414 O THR A 389 7.655 -9.820 -4.845 1.00 0.00 O ATOM 415 CB THR A 389 4.755 -10.137 -4.848 1.00 0.00 C ATOM 416 OG1 THR A 389 3.419 -9.713 -5.145 1.00 0.00 O ATOM 417 CG2 THR A 389 4.688 -11.443 -4.070 1.00 0.00 C ATOM 0 H THR A 389 5.541 -7.789 -5.712 1.00 0.00 H new ATOM 0 HA THR A 389 5.052 -8.953 -3.071 1.00 0.00 H new ATOM 0 HB THR A 389 5.299 -10.288 -5.781 1.00 0.00 H new ATOM 0 HG1 THR A 389 3.151 -10.064 -6.020 1.00 0.00 H new ATOM 0 HG21 THR A 389 4.143 -12.186 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 389 5.698 -11.803 -3.876 1.00 0.00 H new ATOM 0 HG23 THR A 389 4.174 -11.277 -3.123 1.00 0.00 H new ATOM 425 N VAL A 390 7.414 -9.569 -2.624 1.00 0.00 N ATOM 426 CA VAL A 390 8.778 -9.994 -2.324 1.00 0.00 C ATOM 427 C VAL A 390 8.860 -11.511 -2.238 1.00 0.00 C ATOM 428 O VAL A 390 9.854 -12.114 -2.645 1.00 0.00 O ATOM 429 CB VAL A 390 9.313 -9.388 -1.008 1.00 0.00 C ATOM 430 CG1 VAL A 390 10.589 -8.605 -1.269 1.00 0.00 C ATOM 431 CG2 VAL A 390 8.271 -8.503 -0.341 1.00 0.00 C ATOM 0 H VAL A 390 6.858 -9.323 -1.805 1.00 0.00 H new ATOM 0 HA VAL A 390 9.399 -9.629 -3.142 1.00 0.00 H new ATOM 0 HB VAL A 390 9.536 -10.209 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 390 10.955 -8.183 -0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 390 11.345 -9.270 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.384 -7.799 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 390 8.680 -8.092 0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 390 8.002 -7.688 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 390 7.384 -9.094 -0.114 1.00 0.00 H new ATOM 441 N LYS A 391 7.806 -12.125 -1.711 1.00 0.00 N ATOM 442 CA LYS A 391 7.759 -13.577 -1.580 1.00 0.00 C ATOM 443 C LYS A 391 6.326 -14.090 -1.684 1.00 0.00 C ATOM 444 O LYS A 391 5.368 -13.347 -1.469 1.00 0.00 O ATOM 445 CB LYS A 391 8.412 -14.026 -0.262 1.00 0.00 C ATOM 446 CG LYS A 391 7.437 -14.391 0.848 1.00 0.00 C ATOM 447 CD LYS A 391 8.110 -15.239 1.915 1.00 0.00 C ATOM 448 CE LYS A 391 8.344 -16.661 1.428 1.00 0.00 C ATOM 449 NZ LYS A 391 9.283 -17.403 2.315 1.00 0.00 N ATOM 0 H LYS A 391 6.975 -11.642 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 391 8.327 -14.010 -2.403 1.00 0.00 H new ATOM 0 HB2 LYS A 391 9.048 -14.888 -0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 391 9.062 -13.227 0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 391 7.039 -13.482 1.300 1.00 0.00 H new ATOM 0 HG3 LYS A 391 6.591 -14.935 0.428 1.00 0.00 H new ATOM 0 HD2 LYS A 391 9.062 -14.787 2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 391 7.491 -15.257 2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 391 7.392 -17.191 1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 391 8.744 -16.637 0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 9.417 -18.368 1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 10.199 -16.912 2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 8.889 -17.449 3.277 1.00 0.00 H new ATOM 463 N LYS A 392 6.194 -15.368 -2.018 1.00 0.00 N ATOM 464 CA LYS A 392 4.887 -15.999 -2.159 1.00 0.00 C ATOM 465 C LYS A 392 4.900 -17.389 -1.534 1.00 0.00 C ATOM 466 O LYS A 392 5.954 -17.898 -1.155 1.00 0.00 O ATOM 467 CB LYS A 392 4.502 -16.102 -3.637 1.00 0.00 C ATOM 468 CG LYS A 392 5.519 -15.482 -4.581 1.00 0.00 C ATOM 469 CD LYS A 392 6.686 -16.422 -4.838 1.00 0.00 C ATOM 470 CE LYS A 392 7.680 -15.823 -5.820 1.00 0.00 C ATOM 471 NZ LYS A 392 7.535 -16.404 -7.184 1.00 0.00 N ATOM 0 H LYS A 392 6.981 -15.991 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 392 4.151 -15.383 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 392 4.373 -17.153 -3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 392 3.538 -15.616 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 392 5.036 -15.233 -5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 392 5.889 -14.548 -4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 392 7.191 -16.642 -3.897 1.00 0.00 H new ATOM 0 HD3 LYS A 392 6.313 -17.368 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 392 7.536 -14.744 -5.868 1.00 0.00 H new ATOM 0 HE3 LYS A 392 8.694 -15.994 -5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 8.231 -15.969 -7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 7.697 -17.430 -7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 6.575 -16.219 -7.540 1.00 0.00 H new ATOM 485 N PRO A 393 3.726 -18.026 -1.421 1.00 0.00 N ATOM 486 CA PRO A 393 3.616 -19.366 -0.843 1.00 0.00 C ATOM 487 C PRO A 393 4.466 -20.378 -1.603 1.00 0.00 C ATOM 488 O PRO A 393 4.429 -20.435 -2.832 1.00 0.00 O ATOM 489 CB PRO A 393 2.125 -19.705 -0.978 1.00 0.00 C ATOM 490 CG PRO A 393 1.592 -18.743 -1.986 1.00 0.00 C ATOM 491 CD PRO A 393 2.424 -17.501 -1.852 1.00 0.00 C ATOM 0 HA PRO A 393 3.971 -19.399 0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 393 1.984 -20.735 -1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 393 1.610 -19.600 -0.023 1.00 0.00 H new ATOM 0 HG2 PRO A 393 1.663 -19.154 -2.993 1.00 0.00 H new ATOM 0 HG3 PRO A 393 0.539 -18.529 -1.803 1.00 0.00 H new ATOM 0 HD2 PRO A 393 2.498 -16.960 -2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 393 2.004 -16.810 -1.121 1.00 0.00 H new ATOM 499 N THR A 394 5.237 -21.168 -0.867 1.00 0.00 N ATOM 500 CA THR A 394 6.102 -22.171 -1.475 1.00 0.00 C ATOM 501 C THR A 394 6.206 -23.413 -0.598 1.00 0.00 C ATOM 502 O THR A 394 5.863 -23.381 0.584 1.00 0.00 O ATOM 503 CB THR A 394 7.512 -21.608 -1.729 1.00 0.00 C ATOM 504 OG1 THR A 394 8.302 -21.619 -0.532 1.00 0.00 O ATOM 505 CG2 THR A 394 7.439 -20.178 -2.245 1.00 0.00 C ATOM 0 H THR A 394 5.281 -21.134 0.151 1.00 0.00 H new ATOM 0 HA THR A 394 5.652 -22.446 -2.429 1.00 0.00 H new ATOM 0 HB THR A 394 7.980 -22.249 -2.477 1.00 0.00 H new ATOM 0 HG1 THR A 394 8.833 -20.797 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 394 8.447 -19.801 -2.417 1.00 0.00 H new ATOM 0 HG22 THR A 394 6.879 -20.157 -3.180 1.00 0.00 H new ATOM 0 HG23 THR A 394 6.938 -19.550 -1.508 1.00 0.00 H new ATOM 513 N ALA A 395 6.681 -24.507 -1.183 1.00 0.00 N ATOM 514 CA ALA A 395 6.829 -25.758 -0.453 1.00 0.00 C ATOM 515 C ALA A 395 7.571 -25.540 0.859 1.00 0.00 C ATOM 516 O ALA A 395 7.102 -25.939 1.925 1.00 0.00 O ATOM 517 CB ALA A 395 7.546 -26.801 -1.298 1.00 0.00 C ATOM 0 H ALA A 395 6.970 -24.552 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 395 5.829 -26.128 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 395 7.643 -27.726 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 395 6.972 -26.992 -2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 395 8.537 -26.434 -1.566 1.00 0.00 H new ATOM 523 N VAL A 396 8.731 -24.903 0.774 1.00 0.00 N ATOM 524 CA VAL A 396 9.540 -24.627 1.949 1.00 0.00 C ATOM 525 C VAL A 396 8.796 -23.729 2.930 1.00 0.00 C ATOM 526 O VAL A 396 8.832 -23.948 4.141 1.00 0.00 O ATOM 527 CB VAL A 396 10.872 -23.958 1.559 1.00 0.00 C ATOM 528 CG1 VAL A 396 11.457 -24.621 0.324 1.00 0.00 C ATOM 529 CG2 VAL A 396 10.685 -22.464 1.330 1.00 0.00 C ATOM 0 H VAL A 396 9.133 -24.567 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 396 9.747 -25.584 2.429 1.00 0.00 H new ATOM 0 HB VAL A 396 11.572 -24.086 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 396 12.398 -24.137 0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 396 11.637 -25.676 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 396 10.757 -24.527 -0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 396 11.640 -22.016 1.056 1.00 0.00 H new ATOM 0 HG22 VAL A 396 9.966 -22.306 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 396 10.315 -21.999 2.244 1.00 0.00 H new ATOM 539 N ASP A 397 8.125 -22.716 2.395 1.00 0.00 N ATOM 540 CA ASP A 397 7.375 -21.779 3.221 1.00 0.00 C ATOM 541 C ASP A 397 6.171 -21.220 2.468 1.00 0.00 C ATOM 542 O ASP A 397 6.320 -20.523 1.465 1.00 0.00 O ATOM 543 CB ASP A 397 8.280 -20.633 3.677 1.00 0.00 C ATOM 544 CG ASP A 397 8.426 -20.579 5.186 1.00 0.00 C ATOM 545 OD1 ASP A 397 8.743 -21.626 5.788 1.00 0.00 O ATOM 546 OD2 ASP A 397 8.222 -19.491 5.763 1.00 0.00 O ATOM 0 H ASP A 397 8.085 -22.523 1.394 1.00 0.00 H new ATOM 0 HA ASP A 397 7.011 -22.320 4.094 1.00 0.00 H new ATOM 0 HB2 ASP A 397 9.264 -20.748 3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 397 7.873 -19.687 3.320 1.00 0.00 H new ATOM 551 N PRO A 398 4.955 -21.523 2.950 1.00 0.00 N ATOM 552 CA PRO A 398 3.715 -21.055 2.331 1.00 0.00 C ATOM 553 C PRO A 398 3.361 -19.629 2.744 1.00 0.00 C ATOM 554 O PRO A 398 2.229 -19.350 3.137 1.00 0.00 O ATOM 555 CB PRO A 398 2.680 -22.038 2.871 1.00 0.00 C ATOM 556 CG PRO A 398 3.190 -22.411 4.222 1.00 0.00 C ATOM 557 CD PRO A 398 4.696 -22.349 4.143 1.00 0.00 C ATOM 0 HA PRO A 398 3.780 -21.024 1.243 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.692 -21.581 2.932 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.588 -22.912 2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.813 -21.726 4.982 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.857 -23.411 4.500 1.00 0.00 H new ATOM 0 HD2 PRO A 398 5.125 -21.901 5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 398 5.132 -23.343 4.043 1.00 0.00 H new ATOM 565 N ASN A 399 4.336 -18.730 2.657 1.00 0.00 N ATOM 566 CA ASN A 399 4.123 -17.335 3.028 1.00 0.00 C ATOM 567 C ASN A 399 4.408 -16.399 1.857 1.00 0.00 C ATOM 568 O ASN A 399 5.150 -16.744 0.937 1.00 0.00 O ATOM 569 CB ASN A 399 5.009 -16.961 4.217 1.00 0.00 C ATOM 570 CG ASN A 399 5.124 -18.084 5.229 1.00 0.00 C ATOM 571 OD1 ASN A 399 5.396 -19.231 4.873 1.00 0.00 O ATOM 572 ND2 ASN A 399 4.915 -17.759 6.499 1.00 0.00 N ATOM 0 H ASN A 399 5.280 -18.942 2.333 1.00 0.00 H new ATOM 0 HA ASN A 399 3.076 -17.222 3.308 1.00 0.00 H new ATOM 0 HB2 ASN A 399 6.003 -16.697 3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 399 4.602 -16.076 4.706 1.00 0.00 H new ATOM 0 HD21 ASN A 399 4.977 -18.473 7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 399 4.692 -16.796 6.749 1.00 0.00 H new ATOM 579 N SER A 400 3.820 -15.210 1.908 1.00 0.00 N ATOM 580 CA SER A 400 4.004 -14.205 0.867 1.00 0.00 C ATOM 581 C SER A 400 4.266 -12.840 1.496 1.00 0.00 C ATOM 582 O SER A 400 3.762 -12.543 2.578 1.00 0.00 O ATOM 583 CB SER A 400 2.767 -14.131 -0.031 1.00 0.00 C ATOM 584 OG SER A 400 3.047 -13.430 -1.230 1.00 0.00 O ATOM 0 H SER A 400 3.206 -14.916 2.667 1.00 0.00 H new ATOM 0 HA SER A 400 4.863 -14.491 0.260 1.00 0.00 H new ATOM 0 HB2 SER A 400 2.425 -15.139 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 400 1.956 -13.635 0.502 1.00 0.00 H new ATOM 0 HG SER A 400 3.969 -13.098 -1.207 1.00 0.00 H new ATOM 590 N ILE A 401 5.050 -12.011 0.816 1.00 0.00 N ATOM 591 CA ILE A 401 5.362 -10.680 1.323 1.00 0.00 C ATOM 592 C ILE A 401 4.994 -9.607 0.306 1.00 0.00 C ATOM 593 O ILE A 401 5.103 -9.817 -0.902 1.00 0.00 O ATOM 594 CB ILE A 401 6.853 -10.543 1.687 1.00 0.00 C ATOM 595 CG1 ILE A 401 7.236 -11.564 2.757 1.00 0.00 C ATOM 596 CG2 ILE A 401 7.152 -9.131 2.168 1.00 0.00 C ATOM 597 CD1 ILE A 401 8.635 -12.116 2.592 1.00 0.00 C ATOM 0 H ILE A 401 5.479 -12.235 -0.082 1.00 0.00 H new ATOM 0 HA ILE A 401 4.768 -10.541 2.226 1.00 0.00 H new ATOM 0 HB ILE A 401 7.448 -10.738 0.795 1.00 0.00 H new ATOM 0 HG12 ILE A 401 7.151 -11.098 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 401 6.524 -12.389 2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 401 8.209 -9.049 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 401 6.912 -8.419 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 401 6.549 -8.912 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 401 8.839 -12.834 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 401 8.719 -12.611 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 401 9.357 -11.301 2.646 1.00 0.00 H new ATOM 609 N VAL A 402 4.564 -8.454 0.804 1.00 0.00 N ATOM 610 CA VAL A 402 4.192 -7.351 -0.072 1.00 0.00 C ATOM 611 C VAL A 402 4.532 -5.993 0.530 1.00 0.00 C ATOM 612 O VAL A 402 4.374 -5.769 1.730 1.00 0.00 O ATOM 613 CB VAL A 402 2.696 -7.387 -0.430 1.00 0.00 C ATOM 614 CG1 VAL A 402 2.287 -6.113 -1.155 1.00 0.00 C ATOM 615 CG2 VAL A 402 2.379 -8.613 -1.272 1.00 0.00 C ATOM 0 H VAL A 402 4.465 -8.260 1.800 1.00 0.00 H new ATOM 0 HA VAL A 402 4.780 -7.483 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 402 2.122 -7.450 0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.226 -6.158 -1.399 1.00 0.00 H new ATOM 0 HG12 VAL A 402 2.475 -5.253 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 402 2.867 -6.015 -2.073 1.00 0.00 H new ATOM 0 HG21 VAL A 402 1.317 -8.622 -1.516 1.00 0.00 H new ATOM 0 HG22 VAL A 402 2.962 -8.583 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 402 2.630 -9.514 -0.712 1.00 0.00 H new ATOM 625 N GLU A 403 4.991 -5.089 -0.328 1.00 0.00 N ATOM 626 CA GLU A 403 5.351 -3.737 0.088 1.00 0.00 C ATOM 627 C GLU A 403 4.662 -2.703 -0.799 1.00 0.00 C ATOM 628 O GLU A 403 4.928 -2.628 -1.997 1.00 0.00 O ATOM 629 CB GLU A 403 6.868 -3.548 0.029 1.00 0.00 C ATOM 630 CG GLU A 403 7.642 -4.853 -0.058 1.00 0.00 C ATOM 631 CD GLU A 403 9.068 -4.654 -0.534 1.00 0.00 C ATOM 632 OE1 GLU A 403 9.433 -3.502 -0.847 1.00 0.00 O ATOM 633 OE2 GLU A 403 9.819 -5.650 -0.593 1.00 0.00 O ATOM 0 H GLU A 403 5.124 -5.269 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 403 5.017 -3.594 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 403 7.115 -2.931 -0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 403 7.192 -3.002 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 403 7.653 -5.331 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 403 7.127 -5.532 -0.738 1.00 0.00 H new ATOM 640 N CYS A 404 3.769 -1.911 -0.216 1.00 0.00 N ATOM 641 CA CYS A 404 3.053 -0.902 -0.981 1.00 0.00 C ATOM 642 C CYS A 404 3.925 0.320 -1.244 1.00 0.00 C ATOM 643 O CYS A 404 4.030 1.206 -0.397 1.00 0.00 O ATOM 644 CB CYS A 404 1.815 -0.457 -0.206 1.00 0.00 C ATOM 645 SG CYS A 404 0.613 -1.771 0.100 1.00 0.00 S ATOM 0 H CYS A 404 3.527 -1.948 0.774 1.00 0.00 H new ATOM 0 HA CYS A 404 2.772 -1.345 -1.936 1.00 0.00 H new ATOM 0 HB2 CYS A 404 2.131 -0.040 0.750 1.00 0.00 H new ATOM 0 HB3 CYS A 404 1.325 0.346 -0.757 1.00 0.00 H new ATOM 0 HG CYS A 404 -0.099 -1.966 -0.970 1.00 0.00 H new ATOM 651 N ARG A 405 4.554 0.369 -2.415 1.00 0.00 N ATOM 652 CA ARG A 405 5.414 1.492 -2.761 1.00 0.00 C ATOM 653 C ARG A 405 4.628 2.570 -3.495 1.00 0.00 C ATOM 654 O ARG A 405 3.408 2.479 -3.630 1.00 0.00 O ATOM 655 CB ARG A 405 6.589 1.024 -3.621 1.00 0.00 C ATOM 656 CG ARG A 405 7.002 -0.416 -3.359 1.00 0.00 C ATOM 657 CD ARG A 405 8.514 -0.574 -3.394 1.00 0.00 C ATOM 658 NE ARG A 405 9.143 0.391 -4.292 1.00 0.00 N ATOM 659 CZ ARG A 405 9.357 0.166 -5.585 1.00 0.00 C ATOM 660 NH1 ARG A 405 8.992 -0.986 -6.132 1.00 0.00 N ATOM 661 NH2 ARG A 405 9.935 1.095 -6.333 1.00 0.00 N ATOM 0 H ARG A 405 4.484 -0.351 -3.134 1.00 0.00 H new ATOM 0 HA ARG A 405 5.803 1.916 -1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 405 6.323 1.131 -4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 405 7.443 1.676 -3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 405 6.624 -0.734 -2.387 1.00 0.00 H new ATOM 0 HG3 ARG A 405 6.549 -1.068 -4.106 1.00 0.00 H new ATOM 0 HD2 ARG A 405 8.915 -0.449 -2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 405 8.766 -1.585 -3.714 1.00 0.00 H new ATOM 0 HE ARG A 405 9.435 1.289 -3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 405 8.545 -1.703 -5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 405 9.158 -1.155 -7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 405 10.216 1.983 -5.917 1.00 0.00 H new ATOM 0 HH22 ARG A 405 10.099 0.922 -7.325 1.00 0.00 H new ATOM 675 N VAL A 406 5.333 3.593 -3.962 1.00 0.00 N ATOM 676 CA VAL A 406 4.697 4.692 -4.676 1.00 0.00 C ATOM 677 C VAL A 406 5.638 5.299 -5.711 1.00 0.00 C ATOM 678 O VAL A 406 6.856 5.159 -5.616 1.00 0.00 O ATOM 679 CB VAL A 406 4.221 5.793 -3.704 1.00 0.00 C ATOM 680 CG1 VAL A 406 2.704 5.788 -3.598 1.00 0.00 C ATOM 681 CG2 VAL A 406 4.855 5.612 -2.331 1.00 0.00 C ATOM 0 H VAL A 406 6.344 3.684 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 406 3.830 4.277 -5.189 1.00 0.00 H new ATOM 0 HB VAL A 406 4.537 6.759 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 406 2.385 6.570 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 406 2.270 5.971 -4.581 1.00 0.00 H new ATOM 0 HG13 VAL A 406 2.368 4.819 -3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 406 4.506 6.399 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 406 4.574 4.640 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 406 5.940 5.668 -2.421 1.00 0.00 H new ATOM 691 N GLY A 407 5.059 5.968 -6.705 1.00 0.00 N ATOM 692 CA GLY A 407 5.853 6.584 -7.756 1.00 0.00 C ATOM 693 C GLY A 407 7.116 7.242 -7.235 1.00 0.00 C ATOM 694 O GLY A 407 8.099 7.374 -7.965 1.00 0.00 O ATOM 0 H GLY A 407 4.052 6.095 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 407 6.122 5.827 -8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 407 5.248 7.329 -8.272 1.00 0.00 H new ATOM 698 N ASP A 408 7.093 7.659 -5.973 1.00 0.00 N ATOM 699 CA ASP A 408 8.244 8.309 -5.360 1.00 0.00 C ATOM 700 C ASP A 408 9.348 7.302 -5.048 1.00 0.00 C ATOM 701 O ASP A 408 10.394 7.663 -4.509 1.00 0.00 O ATOM 702 CB ASP A 408 7.820 9.028 -4.082 1.00 0.00 C ATOM 703 CG ASP A 408 7.150 10.359 -4.361 1.00 0.00 C ATOM 704 OD1 ASP A 408 7.799 11.234 -4.972 1.00 0.00 O ATOM 705 OD2 ASP A 408 5.975 10.526 -3.970 1.00 0.00 O ATOM 0 H ASP A 408 6.288 7.558 -5.355 1.00 0.00 H new ATOM 0 HA ASP A 408 8.638 9.035 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 408 7.137 8.391 -3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 408 8.695 9.190 -3.452 1.00 0.00 H new ATOM 710 N GLY A 409 9.111 6.039 -5.388 1.00 0.00 N ATOM 711 CA GLY A 409 10.095 5.006 -5.133 1.00 0.00 C ATOM 712 C GLY A 409 10.195 4.653 -3.662 1.00 0.00 C ATOM 713 O GLY A 409 11.041 3.854 -3.265 1.00 0.00 O ATOM 0 H GLY A 409 8.254 5.714 -5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 409 9.836 4.113 -5.701 1.00 0.00 H new ATOM 0 HA3 GLY A 409 11.069 5.340 -5.491 1.00 0.00 H new ATOM 717 N THR A 410 9.328 5.251 -2.852 1.00 0.00 N ATOM 718 CA THR A 410 9.324 4.997 -1.419 1.00 0.00 C ATOM 719 C THR A 410 8.215 4.023 -1.036 1.00 0.00 C ATOM 720 O THR A 410 7.156 3.990 -1.663 1.00 0.00 O ATOM 721 CB THR A 410 9.151 6.301 -0.617 1.00 0.00 C ATOM 722 OG1 THR A 410 9.738 7.416 -1.300 1.00 0.00 O ATOM 723 CG2 THR A 410 9.801 6.180 0.752 1.00 0.00 C ATOM 0 H THR A 410 8.620 5.915 -3.165 1.00 0.00 H new ATOM 0 HA THR A 410 10.290 4.556 -1.173 1.00 0.00 H new ATOM 0 HB THR A 410 8.079 6.468 -0.508 1.00 0.00 H new ATOM 0 HG1 THR A 410 9.611 8.229 -0.768 1.00 0.00 H new ATOM 0 HG21 THR A 410 9.667 7.112 1.302 1.00 0.00 H new ATOM 0 HG22 THR A 410 9.337 5.363 1.304 1.00 0.00 H new ATOM 0 HG23 THR A 410 10.866 5.979 0.633 1.00 0.00 H new ATOM 731 N VAL A 411 8.468 3.233 -0.001 1.00 0.00 N ATOM 732 CA VAL A 411 7.496 2.258 0.475 1.00 0.00 C ATOM 733 C VAL A 411 6.631 2.850 1.580 1.00 0.00 C ATOM 734 O VAL A 411 7.114 3.112 2.683 1.00 0.00 O ATOM 735 CB VAL A 411 8.186 0.985 1.004 1.00 0.00 C ATOM 736 CG1 VAL A 411 7.214 -0.185 1.014 1.00 0.00 C ATOM 737 CG2 VAL A 411 9.415 0.657 0.169 1.00 0.00 C ATOM 0 H VAL A 411 9.341 3.249 0.526 1.00 0.00 H new ATOM 0 HA VAL A 411 6.869 1.992 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 411 8.509 1.169 2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 411 7.719 -1.074 1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 411 6.367 0.051 1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 411 6.858 -0.371 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 411 9.889 -0.245 0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 411 9.118 0.493 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 411 10.120 1.487 0.217 1.00 0.00 H new ATOM 747 N LEU A 412 5.352 3.064 1.284 1.00 0.00 N ATOM 748 CA LEU A 412 4.437 3.632 2.264 1.00 0.00 C ATOM 749 C LEU A 412 3.862 2.552 3.165 1.00 0.00 C ATOM 750 O LEU A 412 3.664 2.772 4.360 1.00 0.00 O ATOM 751 CB LEU A 412 3.308 4.418 1.586 1.00 0.00 C ATOM 752 CG LEU A 412 2.616 3.747 0.397 1.00 0.00 C ATOM 753 CD1 LEU A 412 1.529 2.800 0.875 1.00 0.00 C ATOM 754 CD2 LEU A 412 2.023 4.808 -0.516 1.00 0.00 C ATOM 0 H LEU A 412 4.930 2.854 0.380 1.00 0.00 H new ATOM 0 HA LEU A 412 5.010 4.325 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 412 2.551 4.641 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 412 3.713 5.372 1.249 1.00 0.00 H new ATOM 0 HG LEU A 412 3.354 3.168 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 412 1.049 2.333 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 412 1.970 2.029 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 412 0.787 3.357 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 412 1.531 4.327 -1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 412 1.295 5.400 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 412 2.817 5.459 -0.881 1.00 0.00 H new ATOM 766 N GLY A 413 3.592 1.387 2.595 1.00 0.00 N ATOM 767 CA GLY A 413 3.039 0.305 3.381 1.00 0.00 C ATOM 768 C GLY A 413 3.747 -1.013 3.149 1.00 0.00 C ATOM 769 O GLY A 413 4.532 -1.154 2.213 1.00 0.00 O ATOM 0 H GLY A 413 3.745 1.173 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 413 3.099 0.563 4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 413 1.982 0.191 3.140 1.00 0.00 H new ATOM 773 N THR A 414 3.464 -1.975 4.014 1.00 0.00 N ATOM 774 CA THR A 414 4.062 -3.299 3.928 1.00 0.00 C ATOM 775 C THR A 414 3.212 -4.298 4.696 1.00 0.00 C ATOM 776 O THR A 414 2.621 -3.955 5.720 1.00 0.00 O ATOM 777 CB THR A 414 5.495 -3.311 4.492 1.00 0.00 C ATOM 778 OG1 THR A 414 6.247 -2.181 4.033 1.00 0.00 O ATOM 779 CG2 THR A 414 6.229 -4.578 4.079 1.00 0.00 C ATOM 0 H THR A 414 2.816 -1.861 4.793 1.00 0.00 H new ATOM 0 HA THR A 414 4.107 -3.576 2.875 1.00 0.00 H new ATOM 0 HB THR A 414 5.408 -3.270 5.578 1.00 0.00 H new ATOM 0 HG1 THR A 414 7.151 -2.215 4.409 1.00 0.00 H new ATOM 0 HG21 THR A 414 7.239 -4.564 4.489 1.00 0.00 H new ATOM 0 HG22 THR A 414 5.695 -5.448 4.460 1.00 0.00 H new ATOM 0 HG23 THR A 414 6.280 -4.631 2.991 1.00 0.00 H new ATOM 787 N GLY A 415 3.143 -5.532 4.212 1.00 0.00 N ATOM 788 CA GLY A 415 2.351 -6.534 4.892 1.00 0.00 C ATOM 789 C GLY A 415 2.605 -7.932 4.369 1.00 0.00 C ATOM 790 O GLY A 415 2.799 -8.129 3.169 1.00 0.00 O ATOM 0 H GLY A 415 3.617 -5.853 3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 415 2.572 -6.504 5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 415 1.294 -6.294 4.779 1.00 0.00 H new ATOM 794 N VAL A 416 2.593 -8.904 5.270 1.00 0.00 N ATOM 795 CA VAL A 416 2.806 -10.291 4.902 1.00 0.00 C ATOM 796 C VAL A 416 1.491 -11.060 4.992 1.00 0.00 C ATOM 797 O VAL A 416 0.658 -10.776 5.853 1.00 0.00 O ATOM 798 CB VAL A 416 3.875 -10.948 5.811 1.00 0.00 C ATOM 799 CG1 VAL A 416 3.641 -12.444 5.960 1.00 0.00 C ATOM 800 CG2 VAL A 416 5.270 -10.678 5.268 1.00 0.00 C ATOM 0 H VAL A 416 2.437 -8.753 6.267 1.00 0.00 H new ATOM 0 HA VAL A 416 3.170 -10.323 3.875 1.00 0.00 H new ATOM 0 HB VAL A 416 3.789 -10.501 6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 416 4.410 -12.870 6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 416 2.660 -12.616 6.403 1.00 0.00 H new ATOM 0 HG13 VAL A 416 3.685 -12.919 4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 416 6.010 -11.146 5.917 1.00 0.00 H new ATOM 0 HG22 VAL A 416 5.356 -11.092 4.263 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.445 -9.603 5.234 1.00 0.00 H new ATOM 810 N GLY A 417 1.307 -12.030 4.107 1.00 0.00 N ATOM 811 CA GLY A 417 0.088 -12.813 4.121 1.00 0.00 C ATOM 812 C GLY A 417 0.252 -14.143 3.416 1.00 0.00 C ATOM 813 O GLY A 417 1.177 -14.323 2.625 1.00 0.00 O ATOM 0 H GLY A 417 1.977 -12.288 3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 417 -0.218 -12.986 5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 417 -0.711 -12.246 3.642 1.00 0.00 H new ATOM 817 N ARG A 418 -0.651 -15.075 3.696 1.00 0.00 N ATOM 818 CA ARG A 418 -0.598 -16.390 3.074 1.00 0.00 C ATOM 819 C ARG A 418 -0.274 -16.258 1.593 1.00 0.00 C ATOM 820 O ARG A 418 0.548 -16.997 1.053 1.00 0.00 O ATOM 821 CB ARG A 418 -1.930 -17.113 3.253 1.00 0.00 C ATOM 822 CG ARG A 418 -3.124 -16.284 2.817 1.00 0.00 C ATOM 823 CD ARG A 418 -4.301 -16.465 3.760 1.00 0.00 C ATOM 824 NE ARG A 418 -4.815 -17.832 3.738 1.00 0.00 N ATOM 825 CZ ARG A 418 -5.421 -18.375 2.686 1.00 0.00 C ATOM 826 NH1 ARG A 418 -5.593 -17.667 1.577 1.00 0.00 N ATOM 827 NH2 ARG A 418 -5.857 -19.625 2.743 1.00 0.00 N ATOM 0 H ARG A 418 -1.425 -14.944 4.347 1.00 0.00 H new ATOM 0 HA ARG A 418 0.187 -16.972 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -1.912 -18.041 2.681 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -2.049 -17.387 4.301 1.00 0.00 H new ATOM 0 HG2 ARG A 418 -2.844 -15.231 2.781 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -3.418 -16.570 1.807 1.00 0.00 H new ATOM 0 HD2 ARG A 418 -3.995 -16.209 4.774 1.00 0.00 H new ATOM 0 HD3 ARG A 418 -5.097 -15.774 3.483 1.00 0.00 H new ATOM 0 HE ARG A 418 -4.703 -18.402 4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -5.260 -16.704 1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -6.058 -18.086 0.772 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -5.728 -20.172 3.594 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -6.322 -20.040 1.936 1.00 0.00 H new ATOM 841 N ASN A 419 -0.926 -15.299 0.949 1.00 0.00 N ATOM 842 CA ASN A 419 -0.715 -15.046 -0.469 1.00 0.00 C ATOM 843 C ASN A 419 -0.414 -13.572 -0.708 1.00 0.00 C ATOM 844 O ASN A 419 -0.423 -12.768 0.224 1.00 0.00 O ATOM 845 CB ASN A 419 -1.942 -15.468 -1.277 1.00 0.00 C ATOM 846 CG ASN A 419 -1.579 -15.928 -2.674 1.00 0.00 C ATOM 847 OD1 ASN A 419 -0.402 -16.010 -3.028 1.00 0.00 O ATOM 848 ND2 ASN A 419 -2.591 -16.232 -3.479 1.00 0.00 N ATOM 0 H ASN A 419 -1.608 -14.681 1.389 1.00 0.00 H new ATOM 0 HA ASN A 419 0.140 -15.636 -0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -2.459 -16.273 -0.755 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -2.637 -14.631 -1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -2.408 -16.548 -4.431 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -3.551 -16.150 -3.145 1.00 0.00 H new ATOM 855 N ILE A 420 -0.148 -13.222 -1.959 1.00 0.00 N ATOM 856 CA ILE A 420 0.155 -11.843 -2.311 1.00 0.00 C ATOM 857 C ILE A 420 -1.012 -10.923 -1.977 1.00 0.00 C ATOM 858 O ILE A 420 -0.855 -9.704 -1.921 1.00 0.00 O ATOM 859 CB ILE A 420 0.503 -11.710 -3.806 1.00 0.00 C ATOM 860 CG1 ILE A 420 1.922 -12.218 -4.053 1.00 0.00 C ATOM 861 CG2 ILE A 420 0.361 -10.264 -4.265 1.00 0.00 C ATOM 862 CD1 ILE A 420 1.972 -13.570 -4.732 1.00 0.00 C ATOM 0 H ILE A 420 -0.136 -13.872 -2.745 1.00 0.00 H new ATOM 0 HA ILE A 420 1.022 -11.545 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 420 -0.194 -12.315 -4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 420 2.457 -11.493 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 420 2.448 -12.280 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 420 0.611 -10.192 -5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.666 -9.933 -4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 420 1.036 -9.631 -3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 420 3.011 -13.867 -4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 420 1.466 -14.308 -4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.475 -13.509 -5.700 1.00 0.00 H new ATOM 874 N LYS A 421 -2.176 -11.509 -1.749 1.00 0.00 N ATOM 875 CA LYS A 421 -3.349 -10.732 -1.414 1.00 0.00 C ATOM 876 C LYS A 421 -3.341 -10.363 0.056 1.00 0.00 C ATOM 877 O LYS A 421 -3.366 -9.188 0.409 1.00 0.00 O ATOM 878 CB LYS A 421 -4.611 -11.509 -1.750 1.00 0.00 C ATOM 879 CG LYS A 421 -5.870 -10.833 -1.259 1.00 0.00 C ATOM 880 CD LYS A 421 -5.788 -9.330 -1.437 1.00 0.00 C ATOM 881 CE LYS A 421 -5.741 -8.955 -2.906 1.00 0.00 C ATOM 882 NZ LYS A 421 -7.080 -8.561 -3.425 1.00 0.00 N ATOM 0 H LYS A 421 -2.330 -12.517 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 421 -3.333 -9.815 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.673 -11.640 -2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.545 -12.505 -1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.731 -11.220 -1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -6.027 -11.070 -0.207 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.650 -8.857 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -4.900 -8.949 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -5.041 -8.132 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -5.362 -9.798 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -7.003 -8.313 -4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.743 -9.355 -3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -7.431 -7.740 -2.892 1.00 0.00 H new ATOM 896 N ILE A 422 -3.290 -11.365 0.915 1.00 0.00 N ATOM 897 CA ILE A 422 -3.265 -11.118 2.344 1.00 0.00 C ATOM 898 C ILE A 422 -2.128 -10.184 2.684 1.00 0.00 C ATOM 899 O ILE A 422 -2.277 -9.274 3.499 1.00 0.00 O ATOM 900 CB ILE A 422 -3.140 -12.423 3.138 1.00 0.00 C ATOM 901 CG1 ILE A 422 -4.355 -13.315 2.872 1.00 0.00 C ATOM 902 CG2 ILE A 422 -3.004 -12.129 4.625 1.00 0.00 C ATOM 903 CD1 ILE A 422 -5.594 -12.563 2.401 1.00 0.00 C ATOM 0 H ILE A 422 -3.265 -12.350 0.650 1.00 0.00 H new ATOM 0 HA ILE A 422 -4.210 -10.652 2.624 1.00 0.00 H new ATOM 0 HB ILE A 422 -2.243 -12.950 2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 422 -4.088 -14.058 2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 422 -4.599 -13.858 3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 422 -2.916 -13.066 5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 422 -2.114 -11.523 4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 422 -3.884 -11.587 4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -6.408 -13.269 2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -5.890 -11.839 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -5.371 -12.042 1.470 1.00 0.00 H new ATOM 915 N ALA A 423 -1.001 -10.381 2.017 1.00 0.00 N ATOM 916 CA ALA A 423 0.135 -9.513 2.222 1.00 0.00 C ATOM 917 C ALA A 423 -0.235 -8.128 1.713 1.00 0.00 C ATOM 918 O ALA A 423 -0.178 -7.143 2.448 1.00 0.00 O ATOM 919 CB ALA A 423 1.375 -10.034 1.512 1.00 0.00 C ATOM 0 H ALA A 423 -0.855 -11.127 1.337 1.00 0.00 H new ATOM 0 HA ALA A 423 0.376 -9.476 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 423 2.208 -9.354 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 423 1.625 -11.023 1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 423 1.181 -10.098 0.441 1.00 0.00 H new ATOM 925 N GLY A 424 -0.656 -8.077 0.450 1.00 0.00 N ATOM 926 CA GLY A 424 -1.076 -6.824 -0.147 1.00 0.00 C ATOM 927 C GLY A 424 -2.114 -6.132 0.711 1.00 0.00 C ATOM 928 O GLY A 424 -2.010 -4.936 0.980 1.00 0.00 O ATOM 0 H GLY A 424 -0.713 -8.885 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -0.212 -6.171 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -1.486 -7.010 -1.140 1.00 0.00 H new ATOM 932 N ILE A 425 -3.104 -6.898 1.168 1.00 0.00 N ATOM 933 CA ILE A 425 -4.141 -6.354 2.032 1.00 0.00 C ATOM 934 C ILE A 425 -3.495 -5.724 3.257 1.00 0.00 C ATOM 935 O ILE A 425 -3.625 -4.526 3.510 1.00 0.00 O ATOM 936 CB ILE A 425 -5.124 -7.444 2.514 1.00 0.00 C ATOM 937 CG1 ILE A 425 -5.915 -8.024 1.344 1.00 0.00 C ATOM 938 CG2 ILE A 425 -6.067 -6.877 3.566 1.00 0.00 C ATOM 939 CD1 ILE A 425 -6.198 -9.500 1.486 1.00 0.00 C ATOM 0 H ILE A 425 -3.206 -7.890 0.954 1.00 0.00 H new ATOM 0 HA ILE A 425 -4.696 -5.617 1.452 1.00 0.00 H new ATOM 0 HB ILE A 425 -4.544 -8.251 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -6.859 -7.488 1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -5.361 -7.855 0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 425 -6.754 -7.656 3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 425 -5.489 -6.518 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 425 -6.634 -6.050 3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -6.763 -9.847 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -5.257 -10.047 1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 425 -6.779 -9.674 2.392 1.00 0.00 H new ATOM 951 N ARG A 426 -2.798 -6.568 4.011 1.00 0.00 N ATOM 952 CA ARG A 426 -2.110 -6.156 5.226 1.00 0.00 C ATOM 953 C ARG A 426 -1.235 -4.931 4.993 1.00 0.00 C ATOM 954 O ARG A 426 -1.165 -4.047 5.840 1.00 0.00 O ATOM 955 CB ARG A 426 -1.258 -7.309 5.749 1.00 0.00 C ATOM 956 CG ARG A 426 -1.297 -7.463 7.259 1.00 0.00 C ATOM 957 CD ARG A 426 -0.129 -6.750 7.921 1.00 0.00 C ATOM 958 NE ARG A 426 0.005 -7.108 9.330 1.00 0.00 N ATOM 959 CZ ARG A 426 0.541 -8.248 9.753 1.00 0.00 C ATOM 960 NH1 ARG A 426 0.990 -9.138 8.878 1.00 0.00 N ATOM 961 NH2 ARG A 426 0.631 -8.499 11.052 1.00 0.00 N ATOM 0 H ARG A 426 -2.695 -7.559 3.795 1.00 0.00 H new ATOM 0 HA ARG A 426 -2.866 -5.888 5.964 1.00 0.00 H new ATOM 0 HB2 ARG A 426 -1.598 -8.237 5.289 1.00 0.00 H new ATOM 0 HB3 ARG A 426 -0.225 -7.157 5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 426 -2.235 -7.061 7.643 1.00 0.00 H new ATOM 0 HG3 ARG A 426 -1.273 -8.521 7.519 1.00 0.00 H new ATOM 0 HD2 ARG A 426 0.793 -6.999 7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 426 -0.265 -5.672 7.833 1.00 0.00 H new ATOM 0 HE ARG A 426 -0.332 -6.446 10.029 1.00 0.00 H new ATOM 0 HH11 ARG A 426 0.924 -8.948 7.878 1.00 0.00 H new ATOM 0 HH12 ARG A 426 1.401 -10.012 9.205 1.00 0.00 H new ATOM 0 HH21 ARG A 426 0.288 -7.817 11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 426 1.043 -9.375 11.375 1.00 0.00 H new ATOM 975 N ALA A 427 -0.560 -4.890 3.849 1.00 0.00 N ATOM 976 CA ALA A 427 0.317 -3.768 3.517 1.00 0.00 C ATOM 977 C ALA A 427 -0.500 -2.511 3.232 1.00 0.00 C ATOM 978 O ALA A 427 -0.385 -1.503 3.926 1.00 0.00 O ATOM 979 CB ALA A 427 1.202 -4.105 2.324 1.00 0.00 C ATOM 0 H ALA A 427 -0.602 -5.618 3.136 1.00 0.00 H new ATOM 0 HA ALA A 427 0.959 -3.577 4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.845 -3.255 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.818 -4.973 2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.577 -4.329 1.459 1.00 0.00 H new ATOM 985 N ALA A 428 -1.327 -2.578 2.202 1.00 0.00 N ATOM 986 CA ALA A 428 -2.158 -1.439 1.838 1.00 0.00 C ATOM 987 C ALA A 428 -2.728 -0.847 3.114 1.00 0.00 C ATOM 988 O ALA A 428 -2.624 0.351 3.372 1.00 0.00 O ATOM 989 CB ALA A 428 -3.271 -1.843 0.889 1.00 0.00 C ATOM 0 H ALA A 428 -1.442 -3.399 1.608 1.00 0.00 H new ATOM 0 HA ALA A 428 -1.553 -0.699 1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -3.871 -0.968 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -2.840 -2.260 -0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -3.903 -2.592 1.367 1.00 0.00 H new ATOM 995 N GLU A 429 -3.303 -1.731 3.914 1.00 0.00 N ATOM 996 CA GLU A 429 -3.885 -1.380 5.199 1.00 0.00 C ATOM 997 C GLU A 429 -2.804 -0.943 6.177 1.00 0.00 C ATOM 998 O GLU A 429 -3.034 -0.106 7.046 1.00 0.00 O ATOM 999 CB GLU A 429 -4.599 -2.603 5.747 1.00 0.00 C ATOM 1000 CG GLU A 429 -6.040 -2.342 6.149 1.00 0.00 C ATOM 1001 CD GLU A 429 -6.197 -2.109 7.639 1.00 0.00 C ATOM 1002 OE1 GLU A 429 -6.132 -3.094 8.404 1.00 0.00 O ATOM 1003 OE2 GLU A 429 -6.384 -0.941 8.041 1.00 0.00 O ATOM 0 H GLU A 429 -3.379 -2.722 3.687 1.00 0.00 H new ATOM 0 HA GLU A 429 -4.583 -0.553 5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 429 -4.578 -3.392 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 429 -4.051 -2.974 6.613 1.00 0.00 H new ATOM 0 HG2 GLU A 429 -6.412 -1.472 5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 429 -6.656 -3.191 5.851 1.00 0.00 H new ATOM 1010 N ASN A 430 -1.624 -1.522 6.017 1.00 0.00 N ATOM 1011 CA ASN A 430 -0.498 -1.194 6.877 1.00 0.00 C ATOM 1012 C ASN A 430 -0.212 0.287 6.755 1.00 0.00 C ATOM 1013 O ASN A 430 -0.256 1.023 7.741 1.00 0.00 O ATOM 1014 CB ASN A 430 0.726 -2.021 6.505 1.00 0.00 C ATOM 1015 CG ASN A 430 2.011 -1.458 7.082 1.00 0.00 C ATOM 1016 OD1 ASN A 430 2.973 -1.210 6.355 1.00 0.00 O ATOM 1017 ND2 ASN A 430 2.032 -1.254 8.393 1.00 0.00 N ATOM 0 H ASN A 430 -1.422 -2.220 5.301 1.00 0.00 H new ATOM 0 HA ASN A 430 -0.745 -1.431 7.912 1.00 0.00 H new ATOM 0 HB2 ASN A 430 0.590 -3.043 6.860 1.00 0.00 H new ATOM 0 HB3 ASN A 430 0.811 -2.069 5.419 1.00 0.00 H new ATOM 0 HD21 ASN A 430 2.869 -0.877 8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 430 1.211 -1.474 8.957 1.00 0.00 H new ATOM 1024 N ALA A 431 0.025 0.732 5.531 1.00 0.00 N ATOM 1025 CA ALA A 431 0.248 2.141 5.288 1.00 0.00 C ATOM 1026 C ALA A 431 -1.014 2.876 5.691 1.00 0.00 C ATOM 1027 O ALA A 431 -0.971 3.945 6.298 1.00 0.00 O ATOM 1028 CB ALA A 431 0.582 2.418 3.831 1.00 0.00 C ATOM 0 H ALA A 431 0.067 0.141 4.700 1.00 0.00 H new ATOM 0 HA ALA A 431 1.103 2.482 5.872 1.00 0.00 H new ATOM 0 HB1 ALA A 431 0.742 3.487 3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 431 1.487 1.877 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 431 -0.243 2.089 3.200 1.00 0.00 H new ATOM 1034 N LEU A 432 -2.145 2.261 5.354 1.00 0.00 N ATOM 1035 CA LEU A 432 -3.456 2.800 5.674 1.00 0.00 C ATOM 1036 C LEU A 432 -3.575 3.114 7.154 1.00 0.00 C ATOM 1037 O LEU A 432 -3.988 4.206 7.544 1.00 0.00 O ATOM 1038 CB LEU A 432 -4.512 1.766 5.305 1.00 0.00 C ATOM 1039 CG LEU A 432 -5.890 2.322 4.991 1.00 0.00 C ATOM 1040 CD1 LEU A 432 -6.581 1.432 3.977 1.00 0.00 C ATOM 1041 CD2 LEU A 432 -6.722 2.444 6.260 1.00 0.00 C ATOM 0 H LEU A 432 -2.174 1.374 4.851 1.00 0.00 H new ATOM 0 HA LEU A 432 -3.599 3.723 5.112 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -4.160 1.205 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -4.604 1.057 6.128 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.781 3.320 4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -7.569 1.834 3.754 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -5.989 1.395 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -6.682 0.426 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -7.705 2.844 6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -6.835 1.461 6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -6.223 3.114 6.959 1.00 0.00 H new ATOM 1053 N ARG A 433 -3.224 2.133 7.969 1.00 0.00 N ATOM 1054 CA ARG A 433 -3.295 2.269 9.411 1.00 0.00 C ATOM 1055 C ARG A 433 -2.453 3.446 9.886 1.00 0.00 C ATOM 1056 O ARG A 433 -2.610 3.926 11.008 1.00 0.00 O ATOM 1057 CB ARG A 433 -2.845 0.965 10.060 1.00 0.00 C ATOM 1058 CG ARG A 433 -3.817 -0.177 9.817 1.00 0.00 C ATOM 1059 CD ARG A 433 -3.090 -1.477 9.528 1.00 0.00 C ATOM 1060 NE ARG A 433 -2.962 -2.311 10.719 1.00 0.00 N ATOM 1061 CZ ARG A 433 -1.974 -2.192 11.600 1.00 0.00 C ATOM 1062 NH1 ARG A 433 -1.029 -1.280 11.422 1.00 0.00 N ATOM 1063 NH2 ARG A 433 -1.930 -2.987 12.661 1.00 0.00 N ATOM 0 H ARG A 433 -2.884 1.226 7.650 1.00 0.00 H new ATOM 0 HA ARG A 433 -4.325 2.471 9.706 1.00 0.00 H new ATOM 0 HB2 ARG A 433 -1.864 0.690 9.672 1.00 0.00 H new ATOM 0 HB3 ARG A 433 -2.732 1.118 11.133 1.00 0.00 H new ATOM 0 HG2 ARG A 433 -4.456 -0.303 10.691 1.00 0.00 H new ATOM 0 HG3 ARG A 433 -4.468 0.071 8.979 1.00 0.00 H new ATOM 0 HD2 ARG A 433 -3.627 -2.028 8.756 1.00 0.00 H new ATOM 0 HD3 ARG A 433 -2.099 -1.257 9.132 1.00 0.00 H new ATOM 0 HE ARG A 433 -3.671 -3.026 10.885 1.00 0.00 H new ATOM 0 HH11 ARG A 433 -1.059 -0.667 10.607 1.00 0.00 H new ATOM 0 HH12 ARG A 433 -0.272 -1.191 12.100 1.00 0.00 H new ATOM 0 HH21 ARG A 433 -2.655 -3.691 12.801 1.00 0.00 H new ATOM 0 HH22 ARG A 433 -1.171 -2.895 13.336 1.00 0.00 H new ATOM 1077 N ASP A 434 -1.573 3.916 9.010 1.00 0.00 N ATOM 1078 CA ASP A 434 -0.719 5.049 9.316 1.00 0.00 C ATOM 1079 C ASP A 434 -1.299 6.321 8.702 1.00 0.00 C ATOM 1080 O ASP A 434 -1.290 6.498 7.485 1.00 0.00 O ATOM 1081 CB ASP A 434 0.695 4.802 8.796 1.00 0.00 C ATOM 1082 CG ASP A 434 1.553 4.046 9.791 1.00 0.00 C ATOM 1083 OD1 ASP A 434 1.902 4.630 10.838 1.00 0.00 O ATOM 1084 OD2 ASP A 434 1.876 2.870 9.522 1.00 0.00 O ATOM 0 H ASP A 434 -1.435 3.525 8.078 1.00 0.00 H new ATOM 0 HA ASP A 434 -0.671 5.173 10.398 1.00 0.00 H new ATOM 0 HB2 ASP A 434 0.643 4.239 7.864 1.00 0.00 H new ATOM 0 HB3 ASP A 434 1.167 5.757 8.566 1.00 0.00 H new ATOM 1089 N LYS A 435 -1.810 7.197 9.559 1.00 0.00 N ATOM 1090 CA LYS A 435 -2.405 8.451 9.107 1.00 0.00 C ATOM 1091 C LYS A 435 -1.335 9.415 8.618 1.00 0.00 C ATOM 1092 O LYS A 435 -1.408 9.925 7.503 1.00 0.00 O ATOM 1093 CB LYS A 435 -3.212 9.096 10.233 1.00 0.00 C ATOM 1094 CG LYS A 435 -4.151 10.187 9.748 1.00 0.00 C ATOM 1095 CD LYS A 435 -5.608 9.811 9.967 1.00 0.00 C ATOM 1096 CE LYS A 435 -5.938 8.465 9.343 1.00 0.00 C ATOM 1097 NZ LYS A 435 -6.035 7.387 10.365 1.00 0.00 N ATOM 0 H LYS A 435 -1.825 7.063 10.570 1.00 0.00 H new ATOM 0 HA LYS A 435 -3.073 8.225 8.276 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -3.792 8.326 10.742 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -2.526 9.517 10.968 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -3.932 11.116 10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -3.978 10.372 8.688 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -5.819 9.779 11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -6.251 10.579 9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -6.881 8.538 8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -5.171 8.205 8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -5.429 6.589 10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -5.723 7.754 11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -7.021 7.064 10.437 1.00 0.00 H new ATOM 1111 N LYS A 436 -0.367 9.690 9.479 1.00 0.00 N ATOM 1112 CA LYS A 436 0.691 10.631 9.153 1.00 0.00 C ATOM 1113 C LYS A 436 1.076 10.522 7.683 1.00 0.00 C ATOM 1114 O LYS A 436 1.074 11.520 6.965 1.00 0.00 O ATOM 1115 CB LYS A 436 1.910 10.380 10.039 1.00 0.00 C ATOM 1116 CG LYS A 436 1.940 11.241 11.290 1.00 0.00 C ATOM 1117 CD LYS A 436 2.329 12.675 10.971 1.00 0.00 C ATOM 1118 CE LYS A 436 3.110 13.307 12.112 1.00 0.00 C ATOM 1119 NZ LYS A 436 2.492 14.581 12.573 1.00 0.00 N ATOM 0 H LYS A 436 -0.293 9.275 10.408 1.00 0.00 H new ATOM 0 HA LYS A 436 0.323 11.640 9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 436 1.927 9.330 10.330 1.00 0.00 H new ATOM 0 HB3 LYS A 436 2.814 10.565 9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 436 0.960 11.226 11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 436 2.648 10.821 12.005 1.00 0.00 H new ATOM 0 HD2 LYS A 436 2.930 12.697 10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 436 1.432 13.261 10.774 1.00 0.00 H new ATOM 0 HE2 LYS A 436 3.163 12.607 12.946 1.00 0.00 H new ATOM 0 HE3 LYS A 436 4.134 13.497 11.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 3.056 14.979 13.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 2.464 15.259 11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 1.524 14.397 12.906 1.00 0.00 H new ATOM 1133 N MET A 437 1.379 9.316 7.223 1.00 0.00 N ATOM 1134 CA MET A 437 1.729 9.128 5.818 1.00 0.00 C ATOM 1135 C MET A 437 0.532 9.481 4.952 1.00 0.00 C ATOM 1136 O MET A 437 0.664 10.174 3.946 1.00 0.00 O ATOM 1137 CB MET A 437 2.188 7.697 5.522 1.00 0.00 C ATOM 1138 CG MET A 437 1.693 6.663 6.514 1.00 0.00 C ATOM 1139 SD MET A 437 2.073 4.979 5.992 1.00 0.00 S ATOM 1140 CE MET A 437 3.313 4.521 7.199 1.00 0.00 C ATOM 0 H MET A 437 1.391 8.467 7.788 1.00 0.00 H new ATOM 0 HA MET A 437 2.566 9.787 5.589 1.00 0.00 H new ATOM 0 HB2 MET A 437 1.848 7.418 4.525 1.00 0.00 H new ATOM 0 HB3 MET A 437 3.278 7.674 5.505 1.00 0.00 H new ATOM 0 HG2 MET A 437 2.146 6.850 7.488 1.00 0.00 H new ATOM 0 HG3 MET A 437 0.615 6.768 6.638 1.00 0.00 H new ATOM 0 HE1 MET A 437 3.134 3.500 7.535 1.00 0.00 H new ATOM 0 HE2 MET A 437 4.303 4.586 6.747 1.00 0.00 H new ATOM 0 HE3 MET A 437 3.259 5.198 8.051 1.00 0.00 H new ATOM 1150 N LEU A 438 -0.648 9.026 5.367 1.00 0.00 N ATOM 1151 CA LEU A 438 -1.873 9.330 4.639 1.00 0.00 C ATOM 1152 C LEU A 438 -1.947 10.832 4.411 1.00 0.00 C ATOM 1153 O LEU A 438 -1.888 11.319 3.283 1.00 0.00 O ATOM 1154 CB LEU A 438 -3.079 8.898 5.472 1.00 0.00 C ATOM 1155 CG LEU A 438 -3.898 7.744 4.911 1.00 0.00 C ATOM 1156 CD1 LEU A 438 -3.001 6.571 4.551 1.00 0.00 C ATOM 1157 CD2 LEU A 438 -4.956 7.325 5.920 1.00 0.00 C ATOM 0 H LEU A 438 -0.780 8.449 6.198 1.00 0.00 H new ATOM 0 HA LEU A 438 -1.876 8.801 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.728 8.619 6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -3.737 9.758 5.596 1.00 0.00 H new ATOM 0 HG LEU A 438 -4.394 8.076 3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -3.608 5.758 4.152 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.276 6.885 3.800 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -2.475 6.228 5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -5.539 6.499 5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -4.472 7.008 6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -5.616 8.168 6.127 1.00 0.00 H new ATOM 1169 N ASP A 439 -2.063 11.548 5.521 1.00 0.00 N ATOM 1170 CA ASP A 439 -2.135 12.999 5.526 1.00 0.00 C ATOM 1171 C ASP A 439 -0.900 13.598 4.878 1.00 0.00 C ATOM 1172 O ASP A 439 -0.905 14.744 4.449 1.00 0.00 O ATOM 1173 CB ASP A 439 -2.250 13.493 6.967 1.00 0.00 C ATOM 1174 CG ASP A 439 -3.381 14.486 7.150 1.00 0.00 C ATOM 1175 OD1 ASP A 439 -3.712 15.195 6.175 1.00 0.00 O ATOM 1176 OD2 ASP A 439 -3.937 14.555 8.266 1.00 0.00 O ATOM 0 H ASP A 439 -2.110 11.132 6.451 1.00 0.00 H new ATOM 0 HA ASP A 439 -3.010 13.311 4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.408 12.641 7.629 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.310 13.958 7.265 1.00 0.00 H new ATOM 1181 N PHE A 440 0.150 12.804 4.799 1.00 0.00 N ATOM 1182 CA PHE A 440 1.389 13.250 4.194 1.00 0.00 C ATOM 1183 C PHE A 440 1.248 13.252 2.681 1.00 0.00 C ATOM 1184 O PHE A 440 1.444 14.276 2.027 1.00 0.00 O ATOM 1185 CB PHE A 440 2.549 12.349 4.620 1.00 0.00 C ATOM 1186 CG PHE A 440 3.891 12.820 4.134 1.00 0.00 C ATOM 1187 CD1 PHE A 440 4.262 12.652 2.809 1.00 0.00 C ATOM 1188 CD2 PHE A 440 4.783 13.428 5.004 1.00 0.00 C ATOM 1189 CE1 PHE A 440 5.496 13.084 2.361 1.00 0.00 C ATOM 1190 CE2 PHE A 440 6.018 13.860 4.561 1.00 0.00 C ATOM 1191 CZ PHE A 440 6.376 13.687 3.239 1.00 0.00 C ATOM 0 H PHE A 440 0.169 11.845 5.147 1.00 0.00 H new ATOM 0 HA PHE A 440 1.603 14.264 4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 440 2.568 12.287 5.708 1.00 0.00 H new ATOM 0 HB3 PHE A 440 2.371 11.341 4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 440 3.579 12.178 2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 440 4.509 13.565 6.040 1.00 0.00 H new ATOM 0 HE1 PHE A 440 5.772 12.950 1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 440 6.703 14.333 5.249 1.00 0.00 H new ATOM 0 HZ PHE A 440 7.342 14.022 2.892 1.00 0.00 H new ATOM 1201 N TYR A 441 0.890 12.098 2.132 1.00 0.00 N ATOM 1202 CA TYR A 441 0.706 11.967 0.704 1.00 0.00 C ATOM 1203 C TYR A 441 -0.389 12.901 0.231 1.00 0.00 C ATOM 1204 O TYR A 441 -0.185 13.687 -0.694 1.00 0.00 O ATOM 1205 CB TYR A 441 0.391 10.521 0.351 1.00 0.00 C ATOM 1206 CG TYR A 441 1.567 9.609 0.578 1.00 0.00 C ATOM 1207 CD1 TYR A 441 2.860 10.038 0.305 1.00 0.00 C ATOM 1208 CD2 TYR A 441 1.390 8.323 1.053 1.00 0.00 C ATOM 1209 CE1 TYR A 441 3.944 9.207 0.505 1.00 0.00 C ATOM 1210 CE2 TYR A 441 2.465 7.486 1.256 1.00 0.00 C ATOM 1211 CZ TYR A 441 3.742 7.932 0.981 1.00 0.00 C ATOM 1212 OH TYR A 441 4.820 7.102 1.182 1.00 0.00 O ATOM 0 H TYR A 441 0.723 11.242 2.660 1.00 0.00 H new ATOM 0 HA TYR A 441 1.628 12.247 0.194 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -0.453 10.178 0.950 1.00 0.00 H new ATOM 0 HB3 TYR A 441 0.085 10.463 -0.693 1.00 0.00 H new ATOM 0 HD1 TYR A 441 3.020 11.038 -0.070 1.00 0.00 H new ATOM 0 HD2 TYR A 441 0.393 7.969 1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 441 4.943 9.555 0.289 1.00 0.00 H new ATOM 0 HE2 TYR A 441 2.309 6.484 1.629 1.00 0.00 H new ATOM 0 HH TYR A 441 4.860 6.841 2.126 1.00 0.00 H new ATOM 1222 N ALA A 442 -1.542 12.848 0.887 1.00 0.00 N ATOM 1223 CA ALA A 442 -2.628 13.737 0.523 1.00 0.00 C ATOM 1224 C ALA A 442 -2.088 15.160 0.532 1.00 0.00 C ATOM 1225 O ALA A 442 -2.035 15.829 -0.499 1.00 0.00 O ATOM 1226 CB ALA A 442 -3.801 13.603 1.482 1.00 0.00 C ATOM 0 H ALA A 442 -1.743 12.211 1.658 1.00 0.00 H new ATOM 0 HA ALA A 442 -2.999 13.476 -0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 442 -4.597 14.283 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 442 -4.172 12.578 1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 442 -3.475 13.851 2.492 1.00 0.00 H new ATOM 1232 N LYS A 443 -1.683 15.608 1.719 1.00 0.00 N ATOM 1233 CA LYS A 443 -1.135 16.944 1.887 1.00 0.00 C ATOM 1234 C LYS A 443 -0.158 17.235 0.766 1.00 0.00 C ATOM 1235 O LYS A 443 -0.062 18.360 0.284 1.00 0.00 O ATOM 1236 CB LYS A 443 -0.409 17.057 3.223 1.00 0.00 C ATOM 1237 CG LYS A 443 -1.328 17.217 4.414 1.00 0.00 C ATOM 1238 CD LYS A 443 -1.654 18.679 4.672 1.00 0.00 C ATOM 1239 CE LYS A 443 -2.093 19.389 3.400 1.00 0.00 C ATOM 1240 NZ LYS A 443 -2.360 20.835 3.635 1.00 0.00 N ATOM 0 H LYS A 443 -1.726 15.060 2.578 1.00 0.00 H new ATOM 0 HA LYS A 443 -1.954 17.663 1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 443 0.204 16.167 3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 443 0.270 17.909 3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -2.250 16.662 4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -0.858 16.786 5.298 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -2.444 18.750 5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -0.779 19.180 5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -1.320 19.282 2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -2.992 18.912 3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -2.656 21.283 2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -3.115 20.938 4.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -1.495 21.296 3.983 1.00 0.00 H new ATOM 1254 N GLN A 444 0.543 16.195 0.338 1.00 0.00 N ATOM 1255 CA GLN A 444 1.490 16.322 -0.756 1.00 0.00 C ATOM 1256 C GLN A 444 0.725 16.666 -2.029 1.00 0.00 C ATOM 1257 O GLN A 444 0.990 17.672 -2.685 1.00 0.00 O ATOM 1258 CB GLN A 444 2.268 15.017 -0.943 1.00 0.00 C ATOM 1259 CG GLN A 444 3.623 15.204 -1.609 1.00 0.00 C ATOM 1260 CD GLN A 444 4.707 15.601 -0.627 1.00 0.00 C ATOM 1261 OE1 GLN A 444 4.938 16.785 -0.382 1.00 0.00 O ATOM 1262 NE2 GLN A 444 5.383 14.607 -0.064 1.00 0.00 N ATOM 0 H GLN A 444 0.473 15.257 0.732 1.00 0.00 H new ATOM 0 HA GLN A 444 2.205 17.113 -0.530 1.00 0.00 H new ATOM 0 HB2 GLN A 444 2.413 14.548 0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 444 1.670 14.330 -1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 444 3.910 14.277 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 444 3.541 15.968 -2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 444 5.157 13.640 -0.297 1.00 0.00 H new ATOM 0 HE22 GLN A 444 6.129 14.810 0.602 1.00 0.00 H new