USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 487 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 NoAdj-H: A 335 HIS HD1 : A 335 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 310 TYR OH : rot 180:sc= 0 USER MOD Single : A 317 SER OG : rot 160:sc= 0.0614 USER MOD Single : A 319 ASN : amide:sc= -1.71! K(o=-1.7!,f=-0.61) USER MOD Single : A 333 SER OG : rot 27:sc= -1.5 USER MOD Single : A 334 TYR OH : rot 65:sc= -1.3 USER MOD Single : A 336 THR OG1 : rot -171:sc= -2.46! USER MOD Single : A 344 HIS : no HD1:sc= -0.933 K(o=-0.93,f=-3.1) USER MOD Single : A 348 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 GLN : amide:sc= -1.29 K(o=-1.3,f=-0.52) USER MOD Single : B 365 THR OG1 : rot 180:sc= 0 USER MOD Single : B 366 LYS NZ :NH3+ -123:sc= -15.2! (180deg=-18.7!) USER MOD Single : B 367 GLN : amide:sc= -0.491 K(o=-0.49,f=-3.5!) USER MOD Single : B 368 THR OG1 : rot 62:sc= 0.431 USER MOD Single : B 371 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 372 SER OG : rot -65:sc= 0.581 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 306 10.805 -11.263 -0.868 1.00 0.00 N ATOM 2 CA ALA A 306 11.123 -10.221 0.149 1.00 0.00 C ATOM 3 C ALA A 306 9.924 -9.289 0.321 1.00 0.00 C ATOM 4 O ALA A 306 9.331 -8.838 -0.638 1.00 0.00 O ATOM 5 CB ALA A 306 12.334 -9.408 -0.304 1.00 0.00 C ATOM 0 HA ALA A 306 11.348 -10.707 1.099 1.00 0.00 H new ATOM 0 HB1 ALA A 306 12.562 -8.648 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 306 13.192 -10.069 -0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 306 12.113 -8.926 -1.256 1.00 0.00 H new ATOM 13 N VAL A 307 9.567 -8.996 1.540 1.00 0.00 N ATOM 14 CA VAL A 307 8.409 -8.095 1.782 1.00 0.00 C ATOM 15 C VAL A 307 8.738 -6.689 1.276 1.00 0.00 C ATOM 16 O VAL A 307 7.879 -5.979 0.789 1.00 0.00 O ATOM 17 CB VAL A 307 8.115 -8.051 3.283 1.00 0.00 C ATOM 18 CG1 VAL A 307 7.596 -9.415 3.740 1.00 0.00 C ATOM 19 CG2 VAL A 307 9.399 -7.718 4.046 1.00 0.00 C ATOM 0 H VAL A 307 10.029 -9.343 2.380 1.00 0.00 H new ATOM 0 HA VAL A 307 7.534 -8.468 1.250 1.00 0.00 H new ATOM 0 HB VAL A 307 7.363 -7.287 3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 307 7.386 -9.385 4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 307 6.682 -9.657 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 307 8.349 -10.177 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 307 9.189 -7.687 5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 307 10.150 -8.482 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 307 9.774 -6.747 3.721 1.00 0.00 H new ATOM 29 N ASP A 308 9.973 -6.279 1.379 1.00 0.00 N ATOM 30 CA ASP A 308 10.353 -4.921 0.898 1.00 0.00 C ATOM 31 C ASP A 308 10.074 -4.829 -0.602 1.00 0.00 C ATOM 32 O ASP A 308 9.741 -3.783 -1.123 1.00 0.00 O ATOM 33 CB ASP A 308 11.843 -4.685 1.157 1.00 0.00 C ATOM 34 CG ASP A 308 12.096 -4.619 2.664 1.00 0.00 C ATOM 35 OD1 ASP A 308 11.131 -4.518 3.402 1.00 0.00 O ATOM 36 OD2 ASP A 308 13.251 -4.670 3.053 1.00 0.00 O ATOM 0 H ASP A 308 10.736 -6.827 1.776 1.00 0.00 H new ATOM 0 HA ASP A 308 9.773 -4.166 1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 308 12.431 -5.488 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 308 12.163 -3.757 0.683 1.00 0.00 H new ATOM 41 N LEU A 309 10.211 -5.923 -1.296 1.00 0.00 N ATOM 42 CA LEU A 309 9.960 -5.925 -2.762 1.00 0.00 C ATOM 43 C LEU A 309 8.573 -5.361 -3.062 1.00 0.00 C ATOM 44 O LEU A 309 8.347 -4.776 -4.103 1.00 0.00 O ATOM 45 CB LEU A 309 10.049 -7.361 -3.281 1.00 0.00 C ATOM 46 CG LEU A 309 9.779 -7.382 -4.786 1.00 0.00 C ATOM 47 CD1 LEU A 309 10.863 -6.580 -5.507 1.00 0.00 C ATOM 48 CD2 LEU A 309 9.804 -8.828 -5.281 1.00 0.00 C ATOM 0 H LEU A 309 10.489 -6.824 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 309 10.707 -5.302 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 309 11.037 -7.773 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 309 9.326 -7.991 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 309 8.803 -6.941 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 309 10.673 -6.594 -6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 309 10.852 -5.550 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 309 11.838 -7.024 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 309 9.612 -8.849 -6.354 1.00 0.00 H new ATOM 0 HD22 LEU A 309 10.782 -9.265 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 309 9.036 -9.403 -4.764 1.00 0.00 H new ATOM 60 N TYR A 310 7.637 -5.544 -2.178 1.00 0.00 N ATOM 61 CA TYR A 310 6.269 -5.028 -2.451 1.00 0.00 C ATOM 62 C TYR A 310 6.321 -3.513 -2.648 1.00 0.00 C ATOM 63 O TYR A 310 6.736 -2.773 -1.777 1.00 0.00 O ATOM 64 CB TYR A 310 5.374 -5.352 -1.260 1.00 0.00 C ATOM 65 CG TYR A 310 4.687 -6.675 -1.480 1.00 0.00 C ATOM 66 CD1 TYR A 310 5.399 -7.871 -1.339 1.00 0.00 C ATOM 67 CD2 TYR A 310 3.330 -6.703 -1.818 1.00 0.00 C ATOM 68 CE1 TYR A 310 4.754 -9.096 -1.538 1.00 0.00 C ATOM 69 CE2 TYR A 310 2.684 -7.927 -2.019 1.00 0.00 C ATOM 70 CZ TYR A 310 3.397 -9.126 -1.878 1.00 0.00 C ATOM 71 OH TYR A 310 2.759 -10.334 -2.075 1.00 0.00 O ATOM 0 H TYR A 310 7.757 -6.024 -1.286 1.00 0.00 H new ATOM 0 HA TYR A 310 5.873 -5.494 -3.353 1.00 0.00 H new ATOM 0 HB2 TYR A 310 5.968 -5.388 -0.347 1.00 0.00 H new ATOM 0 HB3 TYR A 310 4.632 -4.565 -1.127 1.00 0.00 H new ATOM 0 HD1 TYR A 310 6.446 -7.848 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 310 2.781 -5.779 -1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 310 5.304 -10.019 -1.429 1.00 0.00 H new ATOM 0 HE2 TYR A 310 1.637 -7.949 -2.283 1.00 0.00 H new ATOM 0 HH TYR A 310 1.820 -10.174 -2.304 1.00 0.00 H new ATOM 81 N VAL A 311 5.898 -3.051 -3.796 1.00 0.00 N ATOM 82 CA VAL A 311 5.912 -1.589 -4.076 1.00 0.00 C ATOM 83 C VAL A 311 4.523 -1.127 -4.527 1.00 0.00 C ATOM 84 O VAL A 311 3.726 -1.906 -5.008 1.00 0.00 O ATOM 85 CB VAL A 311 6.932 -1.300 -5.179 1.00 0.00 C ATOM 86 CG1 VAL A 311 8.339 -1.605 -4.662 1.00 0.00 C ATOM 87 CG2 VAL A 311 6.637 -2.194 -6.385 1.00 0.00 C ATOM 0 H VAL A 311 5.541 -3.631 -4.556 1.00 0.00 H new ATOM 0 HA VAL A 311 6.186 -1.050 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 311 6.867 -0.252 -5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 311 9.067 -1.400 -5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 311 8.552 -0.978 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL A 311 8.401 -2.655 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 311 7.361 -1.992 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 311 6.707 -3.240 -6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 311 5.632 -1.988 -6.754 1.00 0.00 H new ATOM 97 N CYS A 312 4.234 0.140 -4.394 1.00 0.00 N ATOM 98 CA CYS A 312 2.909 0.652 -4.826 1.00 0.00 C ATOM 99 C CYS A 312 2.649 0.153 -6.243 1.00 0.00 C ATOM 100 O CYS A 312 3.363 0.474 -7.172 1.00 0.00 O ATOM 101 CB CYS A 312 2.938 2.181 -4.796 1.00 0.00 C ATOM 102 SG CYS A 312 1.582 2.864 -5.787 1.00 0.00 S ATOM 0 H CYS A 312 4.863 0.841 -4.003 1.00 0.00 H new ATOM 0 HA CYS A 312 2.117 0.302 -4.164 1.00 0.00 H new ATOM 0 HB2 CYS A 312 2.856 2.532 -3.767 1.00 0.00 H new ATOM 0 HB3 CYS A 312 3.893 2.540 -5.180 1.00 0.00 H new ATOM 107 N LEU A 313 1.646 -0.659 -6.404 1.00 0.00 N ATOM 108 CA LEU A 313 1.348 -1.225 -7.744 1.00 0.00 C ATOM 109 C LEU A 313 1.233 -0.098 -8.773 1.00 0.00 C ATOM 110 O LEU A 313 1.680 -0.224 -9.895 1.00 0.00 O ATOM 111 CB LEU A 313 0.024 -1.988 -7.662 1.00 0.00 C ATOM 112 CG LEU A 313 0.043 -3.167 -8.635 1.00 0.00 C ATOM 113 CD1 LEU A 313 0.754 -4.354 -7.976 1.00 0.00 C ATOM 114 CD2 LEU A 313 -1.393 -3.565 -8.981 1.00 0.00 C ATOM 0 H LEU A 313 1.016 -0.957 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 313 2.150 -1.896 -8.052 1.00 0.00 H new ATOM 0 HB2 LEU A 313 -0.137 -2.347 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 313 -0.805 -1.322 -7.900 1.00 0.00 H new ATOM 0 HG LEU A 313 0.571 -2.882 -9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 313 0.770 -5.197 -8.666 1.00 0.00 H new ATOM 0 HD12 LEU A 313 1.776 -4.072 -7.724 1.00 0.00 H new ATOM 0 HD13 LEU A 313 0.222 -4.638 -7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 313 -1.380 -4.406 -9.675 1.00 0.00 H new ATOM 0 HD22 LEU A 313 -1.920 -3.853 -8.071 1.00 0.00 H new ATOM 0 HD23 LEU A 313 -1.903 -2.720 -9.444 1.00 0.00 H new ATOM 126 N LEU A 314 0.632 0.998 -8.405 1.00 0.00 N ATOM 127 CA LEU A 314 0.482 2.124 -9.365 1.00 0.00 C ATOM 128 C LEU A 314 1.845 2.776 -9.656 1.00 0.00 C ATOM 129 O LEU A 314 2.162 3.068 -10.792 1.00 0.00 O ATOM 130 CB LEU A 314 -0.497 3.142 -8.776 1.00 0.00 C ATOM 131 CG LEU A 314 -1.802 2.432 -8.401 1.00 0.00 C ATOM 132 CD1 LEU A 314 -2.842 3.449 -7.934 1.00 0.00 C ATOM 133 CD2 LEU A 314 -2.341 1.692 -9.619 1.00 0.00 C ATOM 0 H LEU A 314 0.238 1.162 -7.479 1.00 0.00 H new ATOM 0 HA LEU A 314 0.092 1.751 -10.312 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -0.061 3.615 -7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -0.695 3.934 -9.499 1.00 0.00 H new ATOM 0 HG LEU A 314 -1.602 1.728 -7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -3.764 2.931 -7.671 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -2.463 3.982 -7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -3.041 4.160 -8.736 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -3.270 1.186 -9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -2.531 2.404 -10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -1.608 0.957 -9.952 1.00 0.00 H new ATOM 145 N CYS A 315 2.657 3.009 -8.656 1.00 0.00 N ATOM 146 CA CYS A 315 3.991 3.641 -8.918 1.00 0.00 C ATOM 147 C CYS A 315 5.045 2.560 -9.131 1.00 0.00 C ATOM 148 O CYS A 315 5.540 2.359 -10.222 1.00 0.00 O ATOM 149 CB CYS A 315 4.438 4.490 -7.726 1.00 0.00 C ATOM 150 SG CYS A 315 3.229 5.782 -7.386 1.00 0.00 S ATOM 0 H CYS A 315 2.460 2.793 -7.679 1.00 0.00 H new ATOM 0 HA CYS A 315 3.889 4.268 -9.804 1.00 0.00 H new ATOM 0 HB2 CYS A 315 4.561 3.858 -6.847 1.00 0.00 H new ATOM 0 HB3 CYS A 315 5.410 4.938 -7.935 1.00 0.00 H new ATOM 155 N GLY A 316 5.408 1.886 -8.078 1.00 0.00 N ATOM 156 CA GLY A 316 6.452 0.836 -8.175 1.00 0.00 C ATOM 157 C GLY A 316 7.705 1.323 -7.448 1.00 0.00 C ATOM 158 O GLY A 316 8.727 0.665 -7.438 1.00 0.00 O ATOM 0 H GLY A 316 5.020 2.021 -7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 316 6.095 -0.094 -7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 316 6.679 0.624 -9.220 1.00 0.00 H new ATOM 162 N SER A 317 7.630 2.474 -6.831 1.00 0.00 N ATOM 163 CA SER A 317 8.809 3.009 -6.095 1.00 0.00 C ATOM 164 C SER A 317 8.824 2.424 -4.681 1.00 0.00 C ATOM 165 O SER A 317 9.866 2.204 -4.104 1.00 0.00 O ATOM 166 CB SER A 317 8.713 4.534 -6.014 1.00 0.00 C ATOM 167 OG SER A 317 8.682 5.072 -7.329 1.00 0.00 O ATOM 0 H SER A 317 6.800 3.066 -6.806 1.00 0.00 H new ATOM 0 HA SER A 317 9.724 2.733 -6.618 1.00 0.00 H new ATOM 0 HB2 SER A 317 7.816 4.825 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 317 9.565 4.935 -5.464 1.00 0.00 H new ATOM 0 HG SER A 317 8.307 5.977 -7.303 1.00 0.00 H new ATOM 173 N GLY A 318 7.670 2.157 -4.135 1.00 0.00 N ATOM 174 CA GLY A 318 7.588 1.565 -2.767 1.00 0.00 C ATOM 175 C GLY A 318 8.614 2.194 -1.821 1.00 0.00 C ATOM 176 O GLY A 318 8.946 1.624 -0.801 1.00 0.00 O ATOM 0 H GLY A 318 6.769 2.325 -4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 318 6.585 1.710 -2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 318 7.756 0.489 -2.824 1.00 0.00 H new ATOM 180 N ASN A 319 9.126 3.350 -2.133 1.00 0.00 N ATOM 181 CA ASN A 319 10.123 3.968 -1.227 1.00 0.00 C ATOM 182 C ASN A 319 9.415 4.793 -0.150 1.00 0.00 C ATOM 183 O ASN A 319 9.954 5.013 0.915 1.00 0.00 O ATOM 184 CB ASN A 319 11.037 4.876 -2.044 1.00 0.00 C ATOM 185 CG ASN A 319 10.364 6.236 -2.237 1.00 0.00 C ATOM 186 OD1 ASN A 319 10.568 7.144 -1.455 1.00 0.00 O ATOM 187 ND2 ASN A 319 9.563 6.415 -3.251 1.00 0.00 N ATOM 0 H ASN A 319 8.898 3.888 -2.969 1.00 0.00 H new ATOM 0 HA ASN A 319 10.708 3.185 -0.744 1.00 0.00 H new ATOM 0 HB2 ASN A 319 11.993 5.000 -1.535 1.00 0.00 H new ATOM 0 HB3 ASN A 319 11.248 4.422 -3.012 1.00 0.00 H new ATOM 0 HD21 ASN A 319 9.107 7.317 -3.388 1.00 0.00 H new ATOM 0 HD22 ASN A 319 9.392 5.653 -3.907 1.00 0.00 H new ATOM 194 N ASP A 320 8.214 5.237 -0.412 1.00 0.00 N ATOM 195 CA ASP A 320 7.476 6.047 0.606 1.00 0.00 C ATOM 196 C ASP A 320 6.969 5.127 1.720 1.00 0.00 C ATOM 197 O ASP A 320 5.842 4.673 1.706 1.00 0.00 O ATOM 198 CB ASP A 320 6.293 6.744 -0.064 1.00 0.00 C ATOM 199 CG ASP A 320 6.808 7.743 -1.102 1.00 0.00 C ATOM 200 OD1 ASP A 320 7.989 8.051 -1.062 1.00 0.00 O ATOM 201 OD2 ASP A 320 6.015 8.184 -1.916 1.00 0.00 O ATOM 0 H ASP A 320 7.712 5.075 -1.285 1.00 0.00 H new ATOM 0 HA ASP A 320 8.143 6.795 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 320 5.647 6.008 -0.542 1.00 0.00 H new ATOM 0 HB3 ASP A 320 5.690 7.259 0.684 1.00 0.00 H new ATOM 206 N GLU A 321 7.809 4.837 2.671 1.00 0.00 N ATOM 207 CA GLU A 321 7.416 3.930 3.787 1.00 0.00 C ATOM 208 C GLU A 321 6.154 4.395 4.512 1.00 0.00 C ATOM 209 O GLU A 321 5.284 3.607 4.826 1.00 0.00 O ATOM 210 CB GLU A 321 8.552 3.867 4.800 1.00 0.00 C ATOM 211 CG GLU A 321 8.165 2.883 5.902 1.00 0.00 C ATOM 212 CD GLU A 321 9.349 2.671 6.846 1.00 0.00 C ATOM 213 OE1 GLU A 321 10.359 3.327 6.655 1.00 0.00 O ATOM 214 OE2 GLU A 321 9.226 1.854 7.744 1.00 0.00 O ATOM 0 H GLU A 321 8.763 5.193 2.725 1.00 0.00 H new ATOM 0 HA GLU A 321 7.210 2.953 3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 321 9.475 3.549 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 321 8.738 4.855 5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 321 7.308 3.264 6.458 1.00 0.00 H new ATOM 0 HG3 GLU A 321 7.863 1.932 5.463 1.00 0.00 H new ATOM 221 N ASP A 322 6.066 5.648 4.829 1.00 0.00 N ATOM 222 CA ASP A 322 4.883 6.141 5.588 1.00 0.00 C ATOM 223 C ASP A 322 3.615 6.099 4.737 1.00 0.00 C ATOM 224 O ASP A 322 2.519 6.102 5.261 1.00 0.00 O ATOM 225 CB ASP A 322 5.137 7.583 6.030 1.00 0.00 C ATOM 226 CG ASP A 322 6.278 7.614 7.047 1.00 0.00 C ATOM 227 OD1 ASP A 322 6.641 6.554 7.532 1.00 0.00 O ATOM 228 OD2 ASP A 322 6.771 8.695 7.323 1.00 0.00 O ATOM 0 H ASP A 322 6.761 6.358 4.597 1.00 0.00 H new ATOM 0 HA ASP A 322 4.738 5.492 6.452 1.00 0.00 H new ATOM 0 HB2 ASP A 322 5.389 8.200 5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 322 4.233 8.004 6.470 1.00 0.00 H new ATOM 233 N ARG A 323 3.740 6.102 3.439 1.00 0.00 N ATOM 234 CA ARG A 323 2.518 6.114 2.587 1.00 0.00 C ATOM 235 C ARG A 323 2.263 4.763 1.910 1.00 0.00 C ATOM 236 O ARG A 323 1.168 4.504 1.456 1.00 0.00 O ATOM 237 CB ARG A 323 2.695 7.190 1.527 1.00 0.00 C ATOM 238 CG ARG A 323 3.002 8.529 2.208 1.00 0.00 C ATOM 239 CD ARG A 323 1.878 8.882 3.182 1.00 0.00 C ATOM 240 NE ARG A 323 1.846 10.357 3.392 1.00 0.00 N ATOM 241 CZ ARG A 323 0.972 10.882 4.206 1.00 0.00 C ATOM 242 NH1 ARG A 323 0.127 10.114 4.839 1.00 0.00 N ATOM 243 NH2 ARG A 323 0.944 12.173 4.390 1.00 0.00 N ATOM 0 H ARG A 323 4.627 6.097 2.935 1.00 0.00 H new ATOM 0 HA ARG A 323 1.656 6.318 3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 323 3.505 6.919 0.850 1.00 0.00 H new ATOM 0 HB3 ARG A 323 1.791 7.275 0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 323 3.951 8.468 2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 323 3.106 9.314 1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 323 0.921 8.539 2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 323 2.033 8.372 4.133 1.00 0.00 H new ATOM 0 HE ARG A 323 2.508 10.956 2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 323 0.150 9.104 4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -0.557 10.524 5.476 1.00 0.00 H new ATOM 0 HH21 ARG A 323 1.606 12.773 3.897 1.00 0.00 H new ATOM 0 HH22 ARG A 323 0.260 12.583 5.027 1.00 0.00 H new ATOM 257 N LEU A 324 3.237 3.903 1.809 1.00 0.00 N ATOM 258 CA LEU A 324 2.981 2.609 1.131 1.00 0.00 C ATOM 259 C LEU A 324 2.130 1.707 2.029 1.00 0.00 C ATOM 260 O LEU A 324 2.590 1.232 3.042 1.00 0.00 O ATOM 261 CB LEU A 324 4.324 1.942 0.862 1.00 0.00 C ATOM 262 CG LEU A 324 4.194 0.903 -0.246 1.00 0.00 C ATOM 263 CD1 LEU A 324 3.129 -0.129 0.118 1.00 0.00 C ATOM 264 CD2 LEU A 324 3.808 1.590 -1.554 1.00 0.00 C ATOM 0 H LEU A 324 4.184 4.039 2.162 1.00 0.00 H new ATOM 0 HA LEU A 324 2.444 2.775 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 324 5.060 2.695 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 324 4.689 1.467 1.773 1.00 0.00 H new ATOM 0 HG LEU A 324 5.152 0.398 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 324 3.047 -0.865 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 324 3.410 -0.630 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 324 2.169 0.370 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 324 3.716 0.844 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 324 2.855 2.104 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 324 4.577 2.313 -1.826 1.00 0.00 H new ATOM 276 N LEU A 325 0.897 1.453 1.652 1.00 0.00 N ATOM 277 CA LEU A 325 0.033 0.564 2.484 1.00 0.00 C ATOM 278 C LEU A 325 -0.218 -0.742 1.721 1.00 0.00 C ATOM 279 O LEU A 325 -0.548 -0.734 0.553 1.00 0.00 O ATOM 280 CB LEU A 325 -1.317 1.229 2.806 1.00 0.00 C ATOM 281 CG LEU A 325 -1.468 2.560 2.068 1.00 0.00 C ATOM 282 CD1 LEU A 325 -1.911 2.284 0.638 1.00 0.00 C ATOM 283 CD2 LEU A 325 -2.536 3.400 2.767 1.00 0.00 C ATOM 0 H LEU A 325 0.457 1.822 0.809 1.00 0.00 H new ATOM 0 HA LEU A 325 0.547 0.368 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -2.131 0.560 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -1.397 1.395 3.880 1.00 0.00 H new ATOM 0 HG LEU A 325 -0.518 3.095 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -2.022 3.227 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -1.163 1.669 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -2.866 1.758 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -2.649 4.351 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -3.485 2.864 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -2.236 3.585 3.799 1.00 0.00 H new ATOM 295 N LEU A 326 -0.056 -1.864 2.369 1.00 0.00 N ATOM 296 CA LEU A 326 -0.277 -3.166 1.675 1.00 0.00 C ATOM 297 C LEU A 326 -1.656 -3.723 2.029 1.00 0.00 C ATOM 298 O LEU A 326 -1.988 -3.890 3.188 1.00 0.00 O ATOM 299 CB LEU A 326 0.813 -4.150 2.119 1.00 0.00 C ATOM 300 CG LEU A 326 0.455 -5.577 1.690 1.00 0.00 C ATOM 301 CD1 LEU A 326 1.687 -6.253 1.087 1.00 0.00 C ATOM 302 CD2 LEU A 326 -0.008 -6.366 2.915 1.00 0.00 C ATOM 0 H LEU A 326 0.220 -1.936 3.348 1.00 0.00 H new ATOM 0 HA LEU A 326 -0.230 -3.020 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 326 1.770 -3.862 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 326 0.930 -4.108 3.202 1.00 0.00 H new ATOM 0 HG LEU A 326 -0.342 -5.548 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 326 1.432 -7.268 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 326 2.024 -5.687 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 326 2.484 -6.287 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 326 -0.265 -7.383 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 326 0.793 -6.395 3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 326 -0.884 -5.883 3.349 1.00 0.00 H new ATOM 314 N CYS A 327 -2.459 -4.023 1.030 1.00 0.00 N ATOM 315 CA CYS A 327 -3.815 -4.586 1.308 1.00 0.00 C ATOM 316 C CYS A 327 -3.691 -6.099 1.431 1.00 0.00 C ATOM 317 O CYS A 327 -3.205 -6.773 0.541 1.00 0.00 O ATOM 318 CB CYS A 327 -4.795 -4.227 0.184 1.00 0.00 C ATOM 319 SG CYS A 327 -5.571 -5.734 -0.475 1.00 0.00 S ATOM 0 H CYS A 327 -2.232 -3.902 0.043 1.00 0.00 H new ATOM 0 HA CYS A 327 -4.202 -4.163 2.235 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -5.561 -3.550 0.562 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -4.269 -3.701 -0.613 1.00 0.00 H new ATOM 324 N ASP A 328 -4.109 -6.623 2.547 1.00 0.00 N ATOM 325 CA ASP A 328 -4.006 -8.091 2.785 1.00 0.00 C ATOM 326 C ASP A 328 -5.094 -8.846 2.023 1.00 0.00 C ATOM 327 O ASP A 328 -4.892 -9.960 1.579 1.00 0.00 O ATOM 328 CB ASP A 328 -4.159 -8.362 4.281 1.00 0.00 C ATOM 329 CG ASP A 328 -2.976 -7.753 5.035 1.00 0.00 C ATOM 330 OD1 ASP A 328 -2.010 -7.390 4.386 1.00 0.00 O ATOM 331 OD2 ASP A 328 -3.057 -7.663 6.248 1.00 0.00 O ATOM 0 H ASP A 328 -4.522 -6.092 3.314 1.00 0.00 H new ATOM 0 HA ASP A 328 -3.034 -8.436 2.432 1.00 0.00 H new ATOM 0 HB2 ASP A 328 -5.094 -7.935 4.645 1.00 0.00 H new ATOM 0 HB3 ASP A 328 -4.206 -9.436 4.464 1.00 0.00 H new ATOM 336 N GLY A 329 -6.253 -8.270 1.891 1.00 0.00 N ATOM 337 CA GLY A 329 -7.354 -8.979 1.186 1.00 0.00 C ATOM 338 C GLY A 329 -6.929 -9.341 -0.235 1.00 0.00 C ATOM 339 O GLY A 329 -6.921 -10.497 -0.614 1.00 0.00 O ATOM 0 H GLY A 329 -6.486 -7.340 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -7.623 -9.882 1.733 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -8.242 -8.348 1.157 1.00 0.00 H new ATOM 343 N CYS A 330 -6.589 -8.370 -1.032 1.00 0.00 N ATOM 344 CA CYS A 330 -6.182 -8.672 -2.432 1.00 0.00 C ATOM 345 C CYS A 330 -5.064 -7.726 -2.895 1.00 0.00 C ATOM 346 O CYS A 330 -3.947 -8.149 -3.124 1.00 0.00 O ATOM 347 CB CYS A 330 -7.400 -8.552 -3.350 1.00 0.00 C ATOM 348 SG CYS A 330 -7.989 -6.844 -3.397 1.00 0.00 S ATOM 0 H CYS A 330 -6.575 -7.383 -0.777 1.00 0.00 H new ATOM 0 HA CYS A 330 -5.794 -9.690 -2.476 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -7.139 -8.881 -4.356 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -8.196 -9.208 -2.997 1.00 0.00 H new ATOM 353 N ASP A 331 -5.351 -6.459 -3.052 1.00 0.00 N ATOM 354 CA ASP A 331 -4.306 -5.505 -3.515 1.00 0.00 C ATOM 355 C ASP A 331 -2.989 -5.813 -2.819 1.00 0.00 C ATOM 356 O ASP A 331 -2.955 -6.264 -1.691 1.00 0.00 O ATOM 357 CB ASP A 331 -4.733 -4.071 -3.188 1.00 0.00 C ATOM 358 CG ASP A 331 -5.253 -3.378 -4.450 1.00 0.00 C ATOM 359 OD1 ASP A 331 -5.657 -4.075 -5.367 1.00 0.00 O ATOM 360 OD2 ASP A 331 -5.238 -2.158 -4.479 1.00 0.00 O ATOM 0 H ASP A 331 -6.267 -6.046 -2.878 1.00 0.00 H new ATOM 0 HA ASP A 331 -4.180 -5.607 -4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 331 -5.509 -4.080 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 331 -3.889 -3.516 -2.780 1.00 0.00 H new ATOM 365 N ASP A 332 -1.904 -5.594 -3.495 1.00 0.00 N ATOM 366 CA ASP A 332 -0.580 -5.888 -2.901 1.00 0.00 C ATOM 367 C ASP A 332 -0.005 -4.645 -2.225 1.00 0.00 C ATOM 368 O ASP A 332 0.127 -4.590 -1.020 1.00 0.00 O ATOM 369 CB ASP A 332 0.359 -6.329 -4.026 1.00 0.00 C ATOM 370 CG ASP A 332 0.110 -7.801 -4.359 1.00 0.00 C ATOM 371 OD1 ASP A 332 -0.698 -8.415 -3.682 1.00 0.00 O ATOM 372 OD2 ASP A 332 0.731 -8.289 -5.289 1.00 0.00 O ATOM 0 H ASP A 332 -1.878 -5.220 -4.444 1.00 0.00 H new ATOM 0 HA ASP A 332 -0.684 -6.672 -2.150 1.00 0.00 H new ATOM 0 HB2 ASP A 332 0.196 -5.714 -4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 332 1.396 -6.185 -3.724 1.00 0.00 H new ATOM 377 N SER A 333 0.337 -3.648 -2.988 1.00 0.00 N ATOM 378 CA SER A 333 0.918 -2.424 -2.378 1.00 0.00 C ATOM 379 C SER A 333 0.375 -1.171 -3.055 1.00 0.00 C ATOM 380 O SER A 333 0.201 -1.122 -4.256 1.00 0.00 O ATOM 381 CB SER A 333 2.434 -2.477 -2.528 1.00 0.00 C ATOM 382 OG SER A 333 2.991 -3.066 -1.365 1.00 0.00 O ATOM 0 H SER A 333 0.240 -3.627 -4.003 1.00 0.00 H new ATOM 0 HA SER A 333 0.644 -2.384 -1.324 1.00 0.00 H new ATOM 0 HB2 SER A 333 2.705 -3.056 -3.411 1.00 0.00 H new ATOM 0 HB3 SER A 333 2.834 -1.473 -2.670 1.00 0.00 H new ATOM 0 HG SER A 333 2.335 -3.670 -0.958 1.00 0.00 H new ATOM 388 N TYR A 334 0.105 -0.157 -2.283 1.00 0.00 N ATOM 389 CA TYR A 334 -0.431 1.100 -2.861 1.00 0.00 C ATOM 390 C TYR A 334 -0.056 2.277 -1.963 1.00 0.00 C ATOM 391 O TYR A 334 0.316 2.108 -0.819 1.00 0.00 O ATOM 392 CB TYR A 334 -1.957 1.006 -2.948 1.00 0.00 C ATOM 393 CG TYR A 334 -2.348 0.058 -4.055 1.00 0.00 C ATOM 394 CD1 TYR A 334 -2.352 -1.325 -3.834 1.00 0.00 C ATOM 395 CD2 TYR A 334 -2.704 0.567 -5.306 1.00 0.00 C ATOM 396 CE1 TYR A 334 -2.711 -2.198 -4.869 1.00 0.00 C ATOM 397 CE2 TYR A 334 -3.063 -0.305 -6.342 1.00 0.00 C ATOM 398 CZ TYR A 334 -3.066 -1.686 -6.124 1.00 0.00 C ATOM 399 OH TYR A 334 -3.422 -2.546 -7.143 1.00 0.00 O ATOM 0 H TYR A 334 0.234 -0.147 -1.271 1.00 0.00 H new ATOM 0 HA TYR A 334 -0.010 1.249 -3.855 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -2.364 0.658 -1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -2.381 1.993 -3.135 1.00 0.00 H new ATOM 0 HD1 TYR A 334 -2.078 -1.718 -2.866 1.00 0.00 H new ATOM 0 HD2 TYR A 334 -2.703 1.634 -5.475 1.00 0.00 H new ATOM 0 HE1 TYR A 334 -2.714 -3.265 -4.700 1.00 0.00 H new ATOM 0 HE2 TYR A 334 -3.337 0.090 -7.309 1.00 0.00 H new ATOM 0 HH TYR A 334 -4.252 -3.009 -6.905 1.00 0.00 H new ATOM 409 N HIS A 335 -0.176 3.468 -2.467 1.00 0.00 N ATOM 410 CA HIS A 335 0.132 4.664 -1.644 1.00 0.00 C ATOM 411 C HIS A 335 -1.184 5.295 -1.206 1.00 0.00 C ATOM 412 O HIS A 335 -2.173 5.231 -1.911 1.00 0.00 O ATOM 413 CB HIS A 335 0.889 5.693 -2.477 1.00 0.00 C ATOM 414 CG HIS A 335 2.341 5.338 -2.569 1.00 0.00 C ATOM 415 ND1 HIS A 335 2.978 5.151 -3.790 1.00 0.00 N ATOM 416 CD2 HIS A 335 3.295 5.124 -1.607 1.00 0.00 C ATOM 417 CE1 HIS A 335 4.259 4.831 -3.523 1.00 0.00 C ATOM 418 NE2 HIS A 335 4.501 4.805 -2.213 1.00 0.00 N ATOM 0 H HIS A 335 -0.477 3.666 -3.421 1.00 0.00 H new ATOM 0 HA HIS A 335 0.737 4.366 -0.788 1.00 0.00 H new ATOM 0 HB2 HIS A 335 0.459 5.746 -3.477 1.00 0.00 H new ATOM 0 HB3 HIS A 335 0.779 6.681 -2.030 1.00 0.00 H new ATOM 0 HD2 HIS A 335 3.132 5.193 -0.542 1.00 0.00 H new ATOM 0 HE1 HIS A 335 5.000 4.621 -4.280 1.00 0.00 H new ATOM 0 HE2 HIS A 335 5.387 4.595 -1.753 1.00 0.00 H new ATOM 426 N THR A 336 -1.217 5.912 -0.066 1.00 0.00 N ATOM 427 CA THR A 336 -2.485 6.548 0.379 1.00 0.00 C ATOM 428 C THR A 336 -2.962 7.533 -0.696 1.00 0.00 C ATOM 429 O THR A 336 -4.145 7.707 -0.906 1.00 0.00 O ATOM 430 CB THR A 336 -2.256 7.294 1.704 1.00 0.00 C ATOM 431 OG1 THR A 336 -3.508 7.653 2.265 1.00 0.00 O ATOM 432 CG2 THR A 336 -1.428 8.560 1.466 1.00 0.00 C ATOM 0 H THR A 336 -0.429 6.005 0.575 1.00 0.00 H new ATOM 0 HA THR A 336 -3.244 5.780 0.531 1.00 0.00 H new ATOM 0 HB THR A 336 -1.716 6.640 2.388 1.00 0.00 H new ATOM 0 HG1 THR A 336 -3.365 8.248 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 336 -1.274 9.077 2.413 1.00 0.00 H new ATOM 0 HG22 THR A 336 -0.462 8.288 1.040 1.00 0.00 H new ATOM 0 HG23 THR A 336 -1.957 9.217 0.776 1.00 0.00 H new ATOM 440 N PHE A 337 -2.050 8.193 -1.367 1.00 0.00 N ATOM 441 CA PHE A 337 -2.458 9.182 -2.406 1.00 0.00 C ATOM 442 C PHE A 337 -2.720 8.506 -3.757 1.00 0.00 C ATOM 443 O PHE A 337 -3.417 9.042 -4.594 1.00 0.00 O ATOM 444 CB PHE A 337 -1.358 10.236 -2.566 1.00 0.00 C ATOM 445 CG PHE A 337 -0.003 9.569 -2.647 1.00 0.00 C ATOM 446 CD1 PHE A 337 0.495 9.128 -3.880 1.00 0.00 C ATOM 447 CD2 PHE A 337 0.763 9.408 -1.486 1.00 0.00 C ATOM 448 CE1 PHE A 337 1.756 8.520 -3.949 1.00 0.00 C ATOM 449 CE2 PHE A 337 2.023 8.800 -1.556 1.00 0.00 C ATOM 450 CZ PHE A 337 2.520 8.356 -2.786 1.00 0.00 C ATOM 0 H PHE A 337 -1.044 8.088 -1.239 1.00 0.00 H new ATOM 0 HA PHE A 337 -3.386 9.652 -2.079 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -1.536 10.824 -3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -1.381 10.927 -1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -0.093 9.256 -4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 337 0.382 9.753 -0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 337 2.139 8.178 -4.899 1.00 0.00 H new ATOM 0 HE2 PHE A 337 2.612 8.674 -0.659 1.00 0.00 H new ATOM 0 HZ PHE A 337 3.492 7.887 -2.839 1.00 0.00 H new ATOM 460 N CYS A 338 -2.175 7.348 -3.988 1.00 0.00 N ATOM 461 CA CYS A 338 -2.406 6.673 -5.294 1.00 0.00 C ATOM 462 C CYS A 338 -3.730 5.916 -5.258 1.00 0.00 C ATOM 463 O CYS A 338 -4.126 5.292 -6.222 1.00 0.00 O ATOM 464 CB CYS A 338 -1.276 5.690 -5.556 1.00 0.00 C ATOM 465 SG CYS A 338 0.269 6.594 -5.785 1.00 0.00 S ATOM 0 H CYS A 338 -1.581 6.840 -3.332 1.00 0.00 H new ATOM 0 HA CYS A 338 -2.439 7.422 -6.086 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -1.183 4.996 -4.721 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -1.496 5.095 -6.442 1.00 0.00 H new ATOM 470 N LEU A 339 -4.406 5.944 -4.148 1.00 0.00 N ATOM 471 CA LEU A 339 -5.688 5.202 -4.040 1.00 0.00 C ATOM 472 C LEU A 339 -6.879 6.147 -4.231 1.00 0.00 C ATOM 473 O LEU A 339 -7.258 6.490 -5.332 1.00 0.00 O ATOM 474 CB LEU A 339 -5.750 4.569 -2.653 1.00 0.00 C ATOM 475 CG LEU A 339 -5.040 3.224 -2.703 1.00 0.00 C ATOM 476 CD1 LEU A 339 -4.469 2.907 -1.328 1.00 0.00 C ATOM 477 CD2 LEU A 339 -6.033 2.140 -3.103 1.00 0.00 C ATOM 0 H LEU A 339 -4.125 6.450 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 339 -5.737 4.438 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -5.276 5.220 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -6.787 4.439 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 339 -4.233 3.263 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -3.959 1.944 -1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -3.760 3.684 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -5.278 2.866 -0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -5.525 1.176 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -6.840 2.098 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -6.446 2.369 -4.085 1.00 0.00 H new ATOM 489 N ILE A 340 -7.454 6.564 -3.147 1.00 0.00 N ATOM 490 CA ILE A 340 -8.614 7.490 -3.180 1.00 0.00 C ATOM 491 C ILE A 340 -8.189 8.702 -2.356 1.00 0.00 C ATOM 492 O ILE A 340 -7.131 8.649 -1.766 1.00 0.00 O ATOM 493 CB ILE A 340 -9.816 6.770 -2.544 1.00 0.00 C ATOM 494 CG1 ILE A 340 -9.949 7.182 -1.076 1.00 0.00 C ATOM 495 CG2 ILE A 340 -9.591 5.258 -2.615 1.00 0.00 C ATOM 496 CD1 ILE A 340 -10.961 6.268 -0.381 1.00 0.00 C ATOM 0 H ILE A 340 -7.160 6.294 -2.209 1.00 0.00 H new ATOM 0 HA ILE A 340 -8.901 7.797 -4.186 1.00 0.00 H new ATOM 0 HB ILE A 340 -10.724 7.041 -3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -8.981 7.115 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -10.272 8.221 -1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -10.440 4.742 -2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -9.492 4.953 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -8.681 5.000 -2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -11.057 6.560 0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -11.930 6.357 -0.873 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -10.618 5.235 -0.439 1.00 0.00 H new ATOM 508 N PRO A 341 -8.955 9.779 -2.287 1.00 0.00 N ATOM 509 CA PRO A 341 -8.560 10.955 -1.485 1.00 0.00 C ATOM 510 C PRO A 341 -7.597 10.522 -0.366 1.00 0.00 C ATOM 511 O PRO A 341 -7.969 9.751 0.497 1.00 0.00 O ATOM 512 CB PRO A 341 -9.903 11.429 -0.943 1.00 0.00 C ATOM 513 CG PRO A 341 -10.896 11.094 -2.024 1.00 0.00 C ATOM 514 CD PRO A 341 -10.250 10.029 -2.935 1.00 0.00 C ATOM 0 HA PRO A 341 -8.029 11.733 -2.033 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -10.152 10.926 -0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -9.890 12.499 -0.736 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -11.822 10.716 -1.590 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -11.153 11.984 -2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -10.855 9.124 -2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -10.127 10.392 -3.955 1.00 0.00 H new ATOM 522 N PRO A 342 -6.347 10.925 -0.423 1.00 0.00 N ATOM 523 CA PRO A 342 -5.327 10.469 0.547 1.00 0.00 C ATOM 524 C PRO A 342 -5.886 10.171 1.933 1.00 0.00 C ATOM 525 O PRO A 342 -6.627 10.944 2.509 1.00 0.00 O ATOM 526 CB PRO A 342 -4.337 11.623 0.580 1.00 0.00 C ATOM 527 CG PRO A 342 -4.391 12.225 -0.790 1.00 0.00 C ATOM 528 CD PRO A 342 -5.757 11.865 -1.394 1.00 0.00 C ATOM 0 HA PRO A 342 -4.885 9.519 0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -4.609 12.353 1.342 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -3.332 11.273 0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -4.266 13.307 -0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -3.583 11.840 -1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -6.381 12.749 -1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -5.649 11.406 -2.377 1.00 0.00 H new ATOM 536 N LEU A 343 -5.520 9.038 2.464 1.00 0.00 N ATOM 537 CA LEU A 343 -5.997 8.639 3.810 1.00 0.00 C ATOM 538 C LEU A 343 -5.259 9.472 4.859 1.00 0.00 C ATOM 539 O LEU A 343 -4.211 10.027 4.594 1.00 0.00 O ATOM 540 CB LEU A 343 -5.697 7.154 4.011 1.00 0.00 C ATOM 541 CG LEU A 343 -6.141 6.378 2.768 1.00 0.00 C ATOM 542 CD1 LEU A 343 -6.000 4.874 3.012 1.00 0.00 C ATOM 543 CD2 LEU A 343 -7.599 6.711 2.450 1.00 0.00 C ATOM 0 H LEU A 343 -4.901 8.364 2.013 1.00 0.00 H new ATOM 0 HA LEU A 343 -7.069 8.808 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -4.631 7.006 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -6.219 6.781 4.893 1.00 0.00 H new ATOM 0 HG LEU A 343 -5.510 6.663 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -6.318 4.330 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -4.959 4.637 3.230 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -6.623 4.583 3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -7.914 6.158 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -8.229 6.432 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -7.695 7.780 2.263 1.00 0.00 H new ATOM 555 N HIS A 344 -5.793 9.579 6.043 1.00 0.00 N ATOM 556 CA HIS A 344 -5.110 10.393 7.086 1.00 0.00 C ATOM 557 C HIS A 344 -3.737 9.789 7.375 1.00 0.00 C ATOM 558 O HIS A 344 -2.757 10.491 7.521 1.00 0.00 O ATOM 559 CB HIS A 344 -5.947 10.393 8.366 1.00 0.00 C ATOM 560 CG HIS A 344 -5.932 9.018 8.971 1.00 0.00 C ATOM 561 ND1 HIS A 344 -6.578 7.941 8.379 1.00 0.00 N ATOM 562 CD2 HIS A 344 -5.354 8.523 10.115 1.00 0.00 C ATOM 563 CE1 HIS A 344 -6.373 6.864 9.161 1.00 0.00 C ATOM 564 NE2 HIS A 344 -5.635 7.168 10.229 1.00 0.00 N ATOM 0 H HIS A 344 -6.667 9.141 6.333 1.00 0.00 H new ATOM 0 HA HIS A 344 -4.993 11.417 6.732 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -5.548 11.119 9.075 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -6.971 10.694 8.144 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -4.771 9.099 10.818 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -6.758 5.877 8.950 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -5.339 6.537 10.974 1.00 0.00 H new ATOM 573 N ASP A 345 -3.659 8.492 7.443 1.00 0.00 N ATOM 574 CA ASP A 345 -2.348 7.841 7.706 1.00 0.00 C ATOM 575 C ASP A 345 -2.426 6.372 7.302 1.00 0.00 C ATOM 576 O ASP A 345 -3.471 5.875 6.937 1.00 0.00 O ATOM 577 CB ASP A 345 -2.003 7.944 9.192 1.00 0.00 C ATOM 578 CG ASP A 345 -0.507 7.685 9.387 1.00 0.00 C ATOM 579 OD1 ASP A 345 0.182 7.536 8.392 1.00 0.00 O ATOM 580 OD2 ASP A 345 -0.078 7.642 10.528 1.00 0.00 O ATOM 0 H ASP A 345 -4.446 7.854 7.328 1.00 0.00 H new ATOM 0 HA ASP A 345 -1.574 8.342 7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -2.264 8.933 9.569 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -2.586 7.221 9.763 1.00 0.00 H new ATOM 585 N VAL A 346 -1.328 5.673 7.368 1.00 0.00 N ATOM 586 CA VAL A 346 -1.333 4.233 6.988 1.00 0.00 C ATOM 587 C VAL A 346 -1.955 3.401 8.129 1.00 0.00 C ATOM 588 O VAL A 346 -1.401 3.332 9.206 1.00 0.00 O ATOM 589 CB VAL A 346 0.109 3.773 6.763 1.00 0.00 C ATOM 590 CG1 VAL A 346 1.037 4.491 7.744 1.00 0.00 C ATOM 591 CG2 VAL A 346 0.199 2.264 6.989 1.00 0.00 C ATOM 0 H VAL A 346 -0.425 6.038 7.670 1.00 0.00 H new ATOM 0 HA VAL A 346 -1.916 4.096 6.077 1.00 0.00 H new ATOM 0 HB VAL A 346 0.411 4.010 5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 346 2.063 4.162 7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 346 0.972 5.567 7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 346 0.738 4.257 8.766 1.00 0.00 H new ATOM 0 HG21 VAL A 346 1.225 1.933 6.829 1.00 0.00 H new ATOM 0 HG22 VAL A 346 -0.103 2.030 8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 346 -0.461 1.751 6.289 1.00 0.00 H new ATOM 601 N PRO A 347 -3.089 2.766 7.905 1.00 0.00 N ATOM 602 CA PRO A 347 -3.756 1.931 8.952 1.00 0.00 C ATOM 603 C PRO A 347 -2.780 0.972 9.649 1.00 0.00 C ATOM 604 O PRO A 347 -1.777 0.573 9.091 1.00 0.00 O ATOM 605 CB PRO A 347 -4.812 1.152 8.177 1.00 0.00 C ATOM 606 CG PRO A 347 -5.143 2.012 7.002 1.00 0.00 C ATOM 607 CD PRO A 347 -3.867 2.772 6.650 1.00 0.00 C ATOM 0 HA PRO A 347 -4.169 2.544 9.753 1.00 0.00 H new ATOM 0 HB2 PRO A 347 -4.432 0.181 7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 347 -5.694 0.965 8.790 1.00 0.00 H new ATOM 0 HG2 PRO A 347 -5.479 1.407 6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -5.952 2.702 7.242 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -3.323 2.285 5.841 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -4.086 3.788 6.321 1.00 0.00 H new ATOM 615 N LYS A 348 -3.066 0.617 10.874 1.00 0.00 N ATOM 616 CA LYS A 348 -2.159 -0.287 11.639 1.00 0.00 C ATOM 617 C LYS A 348 -2.356 -1.752 11.229 1.00 0.00 C ATOM 618 O LYS A 348 -2.134 -2.652 12.016 1.00 0.00 O ATOM 619 CB LYS A 348 -2.454 -0.137 13.129 1.00 0.00 C ATOM 620 CG LYS A 348 -2.121 1.288 13.575 1.00 0.00 C ATOM 621 CD LYS A 348 -2.303 1.406 15.090 1.00 0.00 C ATOM 622 CE LYS A 348 -2.080 2.858 15.520 1.00 0.00 C ATOM 623 NZ LYS A 348 -0.630 3.086 15.769 1.00 0.00 N ATOM 0 H LYS A 348 -3.898 0.918 11.382 1.00 0.00 H new ATOM 0 HA LYS A 348 -1.128 -0.009 11.422 1.00 0.00 H new ATOM 0 HB2 LYS A 348 -3.504 -0.355 13.326 1.00 0.00 H new ATOM 0 HB3 LYS A 348 -1.866 -0.855 13.701 1.00 0.00 H new ATOM 0 HG2 LYS A 348 -1.095 1.536 13.301 1.00 0.00 H new ATOM 0 HG3 LYS A 348 -2.768 2.001 13.064 1.00 0.00 H new ATOM 0 HD2 LYS A 348 -3.304 1.082 15.373 1.00 0.00 H new ATOM 0 HD3 LYS A 348 -1.599 0.751 15.604 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -2.438 3.537 14.746 1.00 0.00 H new ATOM 0 HE3 LYS A 348 -2.653 3.073 16.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -0.479 4.073 16.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 -0.303 2.448 16.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -0.094 2.897 14.898 1.00 0.00 H new ATOM 637 N GLY A 349 -2.753 -2.007 10.012 1.00 0.00 N ATOM 638 CA GLY A 349 -2.937 -3.423 9.573 1.00 0.00 C ATOM 639 C GLY A 349 -4.423 -3.787 9.527 1.00 0.00 C ATOM 640 O GLY A 349 -4.780 -4.897 9.186 1.00 0.00 O ATOM 0 H GLY A 349 -2.957 -1.301 9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 349 -2.492 -3.564 8.588 1.00 0.00 H new ATOM 0 HA3 GLY A 349 -2.415 -4.092 10.257 1.00 0.00 H new ATOM 644 N ASP A 350 -5.291 -2.870 9.859 1.00 0.00 N ATOM 645 CA ASP A 350 -6.751 -3.177 9.827 1.00 0.00 C ATOM 646 C ASP A 350 -7.419 -2.362 8.720 1.00 0.00 C ATOM 647 O ASP A 350 -8.175 -1.447 8.980 1.00 0.00 O ATOM 648 CB ASP A 350 -7.376 -2.811 11.177 1.00 0.00 C ATOM 649 CG ASP A 350 -8.843 -3.250 11.195 1.00 0.00 C ATOM 650 OD1 ASP A 350 -9.265 -3.874 10.236 1.00 0.00 O ATOM 651 OD2 ASP A 350 -9.516 -2.954 12.167 1.00 0.00 O ATOM 0 H ASP A 350 -5.053 -1.922 10.151 1.00 0.00 H new ATOM 0 HA ASP A 350 -6.896 -4.240 9.633 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -6.830 -3.296 11.986 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -7.305 -1.736 11.344 1.00 0.00 H new ATOM 656 N TRP A 351 -7.140 -2.682 7.486 1.00 0.00 N ATOM 657 CA TRP A 351 -7.758 -1.920 6.364 1.00 0.00 C ATOM 658 C TRP A 351 -7.702 -2.743 5.078 1.00 0.00 C ATOM 659 O TRP A 351 -6.905 -3.650 4.938 1.00 0.00 O ATOM 660 CB TRP A 351 -6.990 -0.616 6.174 1.00 0.00 C ATOM 661 CG TRP A 351 -7.062 -0.162 4.749 1.00 0.00 C ATOM 662 CD1 TRP A 351 -7.995 0.676 4.243 1.00 0.00 C ATOM 663 CD2 TRP A 351 -6.166 -0.488 3.649 1.00 0.00 C ATOM 664 NE1 TRP A 351 -7.725 0.886 2.900 1.00 0.00 N ATOM 665 CE2 TRP A 351 -6.605 0.189 2.489 1.00 0.00 C ATOM 666 CE3 TRP A 351 -5.024 -1.297 3.548 1.00 0.00 C ATOM 667 CZ2 TRP A 351 -5.929 0.066 1.271 1.00 0.00 C ATOM 668 CZ3 TRP A 351 -4.347 -1.421 2.327 1.00 0.00 C ATOM 669 CH2 TRP A 351 -4.795 -0.741 1.193 1.00 0.00 C ATOM 0 H TRP A 351 -6.513 -3.436 7.207 1.00 0.00 H new ATOM 0 HA TRP A 351 -8.801 -1.707 6.597 1.00 0.00 H new ATOM 0 HB2 TRP A 351 -7.402 0.153 6.827 1.00 0.00 H new ATOM 0 HB3 TRP A 351 -5.949 -0.756 6.464 1.00 0.00 H new ATOM 0 HD1 TRP A 351 -8.816 1.110 4.795 1.00 0.00 H new ATOM 0 HE1 TRP A 351 -8.284 1.482 2.290 1.00 0.00 H new ATOM 0 HE3 TRP A 351 -4.664 -1.828 4.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 -6.283 0.592 0.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 -3.470 -2.049 2.263 1.00 0.00 H new ATOM 0 HH2 TRP A 351 -4.264 -0.840 0.258 1.00 0.00 H new ATOM 680 N ARG A 352 -8.545 -2.424 4.140 1.00 0.00 N ATOM 681 CA ARG A 352 -8.561 -3.166 2.855 1.00 0.00 C ATOM 682 C ARG A 352 -8.626 -2.157 1.706 1.00 0.00 C ATOM 683 O ARG A 352 -8.992 -1.013 1.892 1.00 0.00 O ATOM 684 CB ARG A 352 -9.784 -4.080 2.813 1.00 0.00 C ATOM 685 CG ARG A 352 -9.734 -5.056 3.987 1.00 0.00 C ATOM 686 CD ARG A 352 -10.963 -5.965 3.945 1.00 0.00 C ATOM 687 NE ARG A 352 -10.763 -7.033 2.924 1.00 0.00 N ATOM 688 CZ ARG A 352 -10.203 -8.164 3.260 1.00 0.00 C ATOM 689 NH1 ARG A 352 -9.781 -8.350 4.482 1.00 0.00 N ATOM 690 NH2 ARG A 352 -10.058 -9.108 2.372 1.00 0.00 N ATOM 0 H ARG A 352 -9.231 -1.672 4.211 1.00 0.00 H new ATOM 0 HA ARG A 352 -7.660 -3.773 2.760 1.00 0.00 H new ATOM 0 HB2 ARG A 352 -10.697 -3.486 2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 352 -9.809 -4.629 1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 352 -8.824 -5.654 3.938 1.00 0.00 H new ATOM 0 HG3 ARG A 352 -9.705 -4.508 4.929 1.00 0.00 H new ATOM 0 HD2 ARG A 352 -11.130 -6.412 4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 352 -11.851 -5.381 3.705 1.00 0.00 H new ATOM 0 HE ARG A 352 -11.064 -6.880 1.962 1.00 0.00 H new ATOM 0 HH11 ARG A 352 -9.888 -7.611 5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 352 -9.344 -9.234 4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 352 -10.382 -8.963 1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 352 -9.621 -9.992 2.634 1.00 0.00 H new ATOM 704 N CYS A 353 -8.273 -2.566 0.523 1.00 0.00 N ATOM 705 CA CYS A 353 -8.309 -1.633 -0.638 1.00 0.00 C ATOM 706 C CYS A 353 -9.725 -1.625 -1.234 1.00 0.00 C ATOM 707 O CYS A 353 -10.573 -2.378 -0.808 1.00 0.00 O ATOM 708 CB CYS A 353 -7.310 -2.134 -1.671 1.00 0.00 C ATOM 709 SG CYS A 353 -8.050 -3.525 -2.552 1.00 0.00 S ATOM 0 H CYS A 353 -7.959 -3.512 0.307 1.00 0.00 H new ATOM 0 HA CYS A 353 -8.052 -0.619 -0.331 1.00 0.00 H new ATOM 0 HB2 CYS A 353 -7.054 -1.337 -2.368 1.00 0.00 H new ATOM 0 HB3 CYS A 353 -6.384 -2.442 -1.185 1.00 0.00 H new ATOM 714 N PRO A 354 -10.003 -0.784 -2.207 1.00 0.00 N ATOM 715 CA PRO A 354 -11.360 -0.721 -2.830 1.00 0.00 C ATOM 716 C PRO A 354 -11.720 -2.032 -3.529 1.00 0.00 C ATOM 717 O PRO A 354 -12.860 -2.454 -3.537 1.00 0.00 O ATOM 718 CB PRO A 354 -11.263 0.433 -3.838 1.00 0.00 C ATOM 719 CG PRO A 354 -10.046 1.204 -3.442 1.00 0.00 C ATOM 720 CD PRO A 354 -9.091 0.185 -2.833 1.00 0.00 C ATOM 0 HA PRO A 354 -12.143 -0.563 -2.088 1.00 0.00 H new ATOM 0 HB2 PRO A 354 -11.176 0.058 -4.858 1.00 0.00 H new ATOM 0 HB3 PRO A 354 -12.154 1.060 -3.804 1.00 0.00 H new ATOM 0 HG2 PRO A 354 -9.596 1.695 -4.305 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -10.294 1.986 -2.724 1.00 0.00 H new ATOM 0 HD2 PRO A 354 -8.462 -0.283 -3.590 1.00 0.00 H new ATOM 0 HD3 PRO A 354 -8.424 0.642 -2.103 1.00 0.00 H new ATOM 728 N LYS A 355 -10.750 -2.683 -4.107 1.00 0.00 N ATOM 729 CA LYS A 355 -11.024 -3.974 -4.799 1.00 0.00 C ATOM 730 C LYS A 355 -11.576 -4.977 -3.787 1.00 0.00 C ATOM 731 O LYS A 355 -12.425 -5.785 -4.100 1.00 0.00 O ATOM 732 CB LYS A 355 -9.733 -4.516 -5.410 1.00 0.00 C ATOM 733 CG LYS A 355 -10.046 -5.756 -6.251 1.00 0.00 C ATOM 734 CD LYS A 355 -8.747 -6.329 -6.820 1.00 0.00 C ATOM 735 CE LYS A 355 -9.073 -7.466 -7.789 1.00 0.00 C ATOM 736 NZ LYS A 355 -7.930 -8.421 -7.836 1.00 0.00 N ATOM 0 H LYS A 355 -9.777 -2.377 -4.130 1.00 0.00 H new ATOM 0 HA LYS A 355 -11.754 -3.816 -5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 355 -9.263 -3.752 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 355 -9.023 -4.768 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 355 -10.549 -6.505 -5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 355 -10.727 -5.496 -7.062 1.00 0.00 H new ATOM 0 HD2 LYS A 355 -8.187 -5.548 -7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 355 -8.114 -6.696 -6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 355 -9.979 -7.982 -7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 355 -9.268 -7.066 -8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 -8.151 -9.195 -8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 -7.076 -7.924 -8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 -7.765 -8.812 -6.886 1.00 0.00 H new ATOM 750 N CYS A 356 -11.098 -4.927 -2.573 1.00 0.00 N ATOM 751 CA CYS A 356 -11.593 -5.877 -1.534 1.00 0.00 C ATOM 752 C CYS A 356 -13.109 -5.728 -1.397 1.00 0.00 C ATOM 753 O CYS A 356 -13.833 -6.696 -1.270 1.00 0.00 O ATOM 754 CB CYS A 356 -10.941 -5.546 -0.190 1.00 0.00 C ATOM 755 SG CYS A 356 -9.293 -6.293 -0.084 1.00 0.00 S ATOM 0 H CYS A 356 -10.386 -4.269 -2.255 1.00 0.00 H new ATOM 0 HA CYS A 356 -11.343 -6.897 -1.826 1.00 0.00 H new ATOM 0 HB2 CYS A 356 -10.865 -4.465 -0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 356 -11.566 -5.912 0.624 1.00 0.00 H new ATOM 760 N LEU A 357 -13.591 -4.521 -1.414 1.00 0.00 N ATOM 761 CA LEU A 357 -15.059 -4.297 -1.286 1.00 0.00 C ATOM 762 C LEU A 357 -15.761 -4.714 -2.580 1.00 0.00 C ATOM 763 O LEU A 357 -16.875 -5.197 -2.567 1.00 0.00 O ATOM 764 CB LEU A 357 -15.317 -2.814 -1.035 1.00 0.00 C ATOM 765 CG LEU A 357 -14.588 -2.368 0.234 1.00 0.00 C ATOM 766 CD1 LEU A 357 -14.909 -0.899 0.515 1.00 0.00 C ATOM 767 CD2 LEU A 357 -15.050 -3.221 1.417 1.00 0.00 C ATOM 0 H LEU A 357 -13.031 -3.674 -1.511 1.00 0.00 H new ATOM 0 HA LEU A 357 -15.445 -4.890 -0.457 1.00 0.00 H new ATOM 0 HB2 LEU A 357 -14.975 -2.227 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 357 -16.387 -2.634 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 357 -13.514 -2.489 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -14.390 -0.580 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 357 -14.582 -0.288 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -15.984 -0.781 0.653 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -14.530 -2.902 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -16.124 -3.100 1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 357 -14.825 -4.269 1.220 1.00 0.00 H new ATOM 779 N ALA A 358 -15.118 -4.517 -3.696 1.00 0.00 N ATOM 780 CA ALA A 358 -15.743 -4.883 -4.998 1.00 0.00 C ATOM 781 C ALA A 358 -16.047 -6.381 -5.020 1.00 0.00 C ATOM 782 O ALA A 358 -16.911 -6.838 -5.740 1.00 0.00 O ATOM 783 CB ALA A 358 -14.780 -4.539 -6.135 1.00 0.00 C ATOM 0 H ALA A 358 -14.182 -4.117 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 358 -16.672 -4.327 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -15.234 -4.805 -7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -14.567 -3.470 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -13.852 -5.096 -6.007 1.00 0.00 H new ATOM 789 N GLN A 359 -15.342 -7.148 -4.238 1.00 0.00 N ATOM 790 CA GLN A 359 -15.585 -8.614 -4.215 1.00 0.00 C ATOM 791 C GLN A 359 -17.047 -8.864 -3.860 1.00 0.00 C ATOM 792 O GLN A 359 -17.690 -9.748 -4.388 1.00 0.00 O ATOM 793 CB GLN A 359 -14.702 -9.238 -3.143 1.00 0.00 C ATOM 794 CG GLN A 359 -13.263 -8.783 -3.357 1.00 0.00 C ATOM 795 CD GLN A 359 -12.342 -9.532 -2.393 1.00 0.00 C ATOM 796 OE1 GLN A 359 -11.856 -10.601 -2.706 1.00 0.00 O ATOM 797 NE2 GLN A 359 -12.086 -9.018 -1.221 1.00 0.00 N ATOM 0 H GLN A 359 -14.606 -6.821 -3.612 1.00 0.00 H new ATOM 0 HA GLN A 359 -15.358 -9.050 -5.188 1.00 0.00 H new ATOM 0 HB2 GLN A 359 -15.047 -8.942 -2.152 1.00 0.00 H new ATOM 0 HB3 GLN A 359 -14.764 -10.325 -3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 359 -12.960 -8.972 -4.387 1.00 0.00 H new ATOM 0 HG3 GLN A 359 -13.182 -7.708 -3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 359 -12.493 -8.121 -0.958 1.00 0.00 H new ATOM 0 HE22 GLN A 359 -11.478 -9.513 -0.569 1.00 0.00 H new ATOM 806 N GLU A 360 -17.569 -8.082 -2.960 1.00 0.00 N ATOM 807 CA GLU A 360 -18.991 -8.254 -2.552 1.00 0.00 C ATOM 808 C GLU A 360 -19.877 -8.305 -3.796 1.00 0.00 C ATOM 809 O GLU A 360 -19.464 -7.780 -4.816 1.00 0.00 O ATOM 810 CB GLU A 360 -19.412 -7.076 -1.669 1.00 0.00 C ATOM 811 CG GLU A 360 -18.559 -7.055 -0.401 1.00 0.00 C ATOM 812 CD GLU A 360 -19.031 -5.924 0.514 1.00 0.00 C ATOM 813 OE1 GLU A 360 -19.846 -5.131 0.071 1.00 0.00 O ATOM 814 OE2 GLU A 360 -18.569 -5.869 1.642 1.00 0.00 O ATOM 815 OXT GLU A 360 -20.957 -8.866 -3.707 1.00 0.00 O ATOM 0 H GLU A 360 -17.071 -7.328 -2.487 1.00 0.00 H new ATOM 0 HA GLU A 360 -19.100 -9.184 -1.994 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -19.294 -6.140 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -20.467 -7.163 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -18.635 -8.011 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -17.509 -6.914 -0.659 1.00 0.00 H new TER 822 GLU A 360 ATOM 823 N ALA B 363 -3.750 -1.973 7.447 1.00 0.00 N ATOM 824 CA ALA B 363 -2.764 -1.893 6.335 1.00 0.00 C ATOM 825 C ALA B 363 -1.358 -2.050 6.899 1.00 0.00 C ATOM 826 O ALA B 363 -1.096 -1.713 8.036 1.00 0.00 O ATOM 827 CB ALA B 363 -2.871 -0.536 5.637 1.00 0.00 C ATOM 0 HA ALA B 363 -2.971 -2.686 5.617 1.00 0.00 H new ATOM 0 HB1 ALA B 363 -2.146 -0.486 4.825 1.00 0.00 H new ATOM 0 HB2 ALA B 363 -3.876 -0.412 5.234 1.00 0.00 H new ATOM 0 HB3 ALA B 363 -2.667 0.259 6.354 1.00 0.00 H new ATOM 835 N ARG B 364 -0.454 -2.556 6.111 1.00 0.00 N ATOM 836 CA ARG B 364 0.942 -2.734 6.596 1.00 0.00 C ATOM 837 C ARG B 364 1.861 -1.789 5.822 1.00 0.00 C ATOM 838 O ARG B 364 1.765 -1.660 4.617 1.00 0.00 O ATOM 839 CB ARG B 364 1.349 -4.190 6.387 1.00 0.00 C ATOM 840 CG ARG B 364 0.661 -5.048 7.451 1.00 0.00 C ATOM 841 CD ARG B 364 0.462 -6.464 6.918 1.00 0.00 C ATOM 842 NE ARG B 364 0.020 -7.356 8.028 1.00 0.00 N ATOM 843 CZ ARG B 364 -1.159 -7.196 8.565 1.00 0.00 C ATOM 844 NH1 ARG B 364 -1.957 -6.263 8.123 1.00 0.00 N ATOM 845 NH2 ARG B 364 -1.541 -7.971 9.543 1.00 0.00 N ATOM 0 H ARG B 364 -0.621 -2.855 5.150 1.00 0.00 H new ATOM 0 HA ARG B 364 1.019 -2.497 7.657 1.00 0.00 H new ATOM 0 HB2 ARG B 364 1.063 -4.523 5.389 1.00 0.00 H new ATOM 0 HB3 ARG B 364 2.432 -4.294 6.459 1.00 0.00 H new ATOM 0 HG2 ARG B 364 1.264 -5.072 8.359 1.00 0.00 H new ATOM 0 HG3 ARG B 364 -0.301 -4.611 7.719 1.00 0.00 H new ATOM 0 HD2 ARG B 364 -0.281 -6.463 6.121 1.00 0.00 H new ATOM 0 HD3 ARG B 364 1.392 -6.836 6.487 1.00 0.00 H new ATOM 0 HE ARG B 364 0.639 -8.092 8.368 1.00 0.00 H new ATOM 0 HH11 ARG B 364 -1.660 -5.658 7.357 1.00 0.00 H new ATOM 0 HH12 ARG B 364 -2.878 -6.139 8.543 1.00 0.00 H new ATOM 0 HH21 ARG B 364 -0.918 -8.702 9.888 1.00 0.00 H new ATOM 0 HH22 ARG B 364 -2.462 -7.846 9.963 1.00 0.00 H new ATOM 859 N THR B 365 2.730 -1.102 6.512 1.00 0.00 N ATOM 860 CA THR B 365 3.632 -0.134 5.827 1.00 0.00 C ATOM 861 C THR B 365 4.806 -0.863 5.172 1.00 0.00 C ATOM 862 O THR B 365 5.387 -1.764 5.742 1.00 0.00 O ATOM 863 CB THR B 365 4.170 0.868 6.851 1.00 0.00 C ATOM 864 OG1 THR B 365 5.588 0.882 6.796 1.00 0.00 O ATOM 865 CG2 THR B 365 3.716 0.459 8.253 1.00 0.00 C ATOM 0 H THR B 365 2.854 -1.170 7.522 1.00 0.00 H new ATOM 0 HA THR B 365 3.065 0.386 5.055 1.00 0.00 H new ATOM 0 HB THR B 365 3.787 1.863 6.623 1.00 0.00 H new ATOM 0 HG1 THR B 365 5.934 1.524 7.450 1.00 0.00 H new ATOM 0 HG21 THR B 365 4.099 1.173 8.982 1.00 0.00 H new ATOM 0 HG22 THR B 365 2.627 0.448 8.294 1.00 0.00 H new ATOM 0 HG23 THR B 365 4.098 -0.536 8.483 1.00 0.00 H new ATOM 873 N LYS B 366 5.168 -0.460 3.981 1.00 0.00 N ATOM 874 CA LYS B 366 6.318 -1.106 3.291 1.00 0.00 C ATOM 875 C LYS B 366 7.258 -0.014 2.776 1.00 0.00 C ATOM 876 O LYS B 366 6.823 1.034 2.327 1.00 0.00 O ATOM 877 CB LYS B 366 5.826 -1.957 2.118 1.00 0.00 C ATOM 878 CG LYS B 366 6.624 -3.261 2.085 1.00 0.00 C ATOM 879 CD LYS B 366 6.154 -4.176 3.222 1.00 0.00 C ATOM 880 CE LYS B 366 7.350 -4.581 4.091 1.00 0.00 C ATOM 881 NZ LYS B 366 8.484 -4.992 3.219 1.00 0.00 N ATOM 0 H LYS B 366 4.715 0.289 3.458 1.00 0.00 H new ATOM 0 HA LYS B 366 6.844 -1.754 3.992 1.00 0.00 H new ATOM 0 HB2 LYS B 366 4.762 -2.168 2.225 1.00 0.00 H new ATOM 0 HB3 LYS B 366 5.950 -1.415 1.181 1.00 0.00 H new ATOM 0 HG2 LYS B 366 6.489 -3.758 1.124 1.00 0.00 H new ATOM 0 HG3 LYS B 366 7.689 -3.051 2.189 1.00 0.00 H new ATOM 0 HD2 LYS B 366 5.409 -3.663 3.830 1.00 0.00 H new ATOM 0 HD3 LYS B 366 5.674 -5.064 2.811 1.00 0.00 H new ATOM 0 HE2 LYS B 366 7.650 -3.747 4.726 1.00 0.00 H new ATOM 0 HE3 LYS B 366 7.071 -5.401 4.752 1.00 0.00 H new ATOM 0 HZ1 LYS B 366 8.774 -5.961 3.461 1.00 0.00 H new ATOM 0 HZ2 LYS B 366 8.186 -4.958 2.223 1.00 0.00 H new ATOM 0 HZ3 LYS B 366 9.285 -4.345 3.363 1.00 0.00 H new ATOM 895 N GLN B 367 8.545 -0.253 2.851 1.00 0.00 N ATOM 896 CA GLN B 367 9.533 0.764 2.388 1.00 0.00 C ATOM 897 C GLN B 367 10.430 0.155 1.310 1.00 0.00 C ATOM 898 O GLN B 367 10.676 -1.034 1.298 1.00 0.00 O ATOM 899 CB GLN B 367 10.408 1.184 3.571 1.00 0.00 C ATOM 900 CG GLN B 367 11.426 0.081 3.875 1.00 0.00 C ATOM 901 CD GLN B 367 12.067 0.340 5.240 1.00 0.00 C ATOM 902 OE1 GLN B 367 11.392 0.719 6.178 1.00 0.00 O ATOM 903 NE2 GLN B 367 13.348 0.151 5.394 1.00 0.00 N ATOM 0 H GLN B 367 8.953 -1.114 3.215 1.00 0.00 H new ATOM 0 HA GLN B 367 9.002 1.626 1.983 1.00 0.00 H new ATOM 0 HB2 GLN B 367 10.924 2.116 3.341 1.00 0.00 H new ATOM 0 HB3 GLN B 367 9.787 1.371 4.447 1.00 0.00 H new ATOM 0 HG2 GLN B 367 10.936 -0.892 3.871 1.00 0.00 H new ATOM 0 HG3 GLN B 367 12.192 0.055 3.100 1.00 0.00 H new ATOM 0 HE21 GLN B 367 13.915 -0.167 4.608 1.00 0.00 H new ATOM 0 HE22 GLN B 367 13.783 0.321 6.301 1.00 0.00 H new ATOM 912 N THR B 368 10.939 0.962 0.416 1.00 0.00 N ATOM 913 CA THR B 368 11.840 0.409 -0.639 1.00 0.00 C ATOM 914 C THR B 368 13.006 1.370 -0.871 1.00 0.00 C ATOM 915 O THR B 368 12.816 2.547 -1.103 1.00 0.00 O ATOM 916 CB THR B 368 11.065 0.234 -1.942 1.00 0.00 C ATOM 917 OG1 THR B 368 9.842 -0.441 -1.682 1.00 0.00 O ATOM 918 CG2 THR B 368 11.901 -0.586 -2.927 1.00 0.00 C ATOM 0 H THR B 368 10.773 1.967 0.370 1.00 0.00 H new ATOM 0 HA THR B 368 12.221 -0.558 -0.312 1.00 0.00 H new ATOM 0 HB THR B 368 10.854 1.213 -2.371 1.00 0.00 H new ATOM 0 HG1 THR B 368 9.294 0.098 -1.075 1.00 0.00 H new ATOM 0 HG21 THR B 368 11.348 -0.711 -3.858 1.00 0.00 H new ATOM 0 HG22 THR B 368 12.838 -0.067 -3.129 1.00 0.00 H new ATOM 0 HG23 THR B 368 12.114 -1.565 -2.497 1.00 0.00 H new ATOM 926 N ALA B 369 14.211 0.870 -0.821 1.00 0.00 N ATOM 927 CA ALA B 369 15.399 1.745 -1.041 1.00 0.00 C ATOM 928 C ALA B 369 15.525 2.083 -2.527 1.00 0.00 C ATOM 929 O ALA B 369 16.436 2.772 -2.939 1.00 0.00 O ATOM 930 CB ALA B 369 16.660 1.015 -0.576 1.00 0.00 C ATOM 0 H ALA B 369 14.425 -0.110 -0.637 1.00 0.00 H new ATOM 0 HA ALA B 369 15.278 2.667 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA B 369 17.529 1.653 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA B 369 16.573 0.779 0.485 1.00 0.00 H new ATOM 0 HB3 ALA B 369 16.777 0.093 -1.145 1.00 0.00 H new ATOM 936 N ARG B 370 14.621 1.597 -3.337 1.00 0.00 N ATOM 937 CA ARG B 370 14.693 1.886 -4.799 1.00 0.00 C ATOM 938 C ARG B 370 16.045 1.418 -5.344 1.00 0.00 C ATOM 939 O ARG B 370 17.081 1.949 -4.998 1.00 0.00 O ATOM 940 CB ARG B 370 14.543 3.391 -5.036 1.00 0.00 C ATOM 941 CG ARG B 370 14.488 3.667 -6.541 1.00 0.00 C ATOM 942 CD ARG B 370 14.518 5.177 -6.786 1.00 0.00 C ATOM 943 NE ARG B 370 13.341 5.813 -6.127 1.00 0.00 N ATOM 944 CZ ARG B 370 12.203 5.897 -6.760 1.00 0.00 C ATOM 945 NH1 ARG B 370 12.086 5.409 -7.964 1.00 0.00 N ATOM 946 NH2 ARG B 370 11.180 6.469 -6.186 1.00 0.00 N ATOM 0 H ARG B 370 13.836 1.013 -3.049 1.00 0.00 H new ATOM 0 HA ARG B 370 13.889 1.358 -5.311 1.00 0.00 H new ATOM 0 HB2 ARG B 370 13.636 3.757 -4.555 1.00 0.00 H new ATOM 0 HB3 ARG B 370 15.380 3.926 -4.588 1.00 0.00 H new ATOM 0 HG2 ARG B 370 15.332 3.190 -7.040 1.00 0.00 H new ATOM 0 HG3 ARG B 370 13.582 3.237 -6.967 1.00 0.00 H new ATOM 0 HD2 ARG B 370 15.442 5.601 -6.392 1.00 0.00 H new ATOM 0 HD3 ARG B 370 14.504 5.383 -7.856 1.00 0.00 H new ATOM 0 HE ARG B 370 13.426 6.183 -5.180 1.00 0.00 H new ATOM 0 HH11 ARG B 370 12.885 4.961 -8.412 1.00 0.00 H new ATOM 0 HH12 ARG B 370 11.196 5.476 -8.457 1.00 0.00 H new ATOM 0 HH21 ARG B 370 11.271 6.850 -5.244 1.00 0.00 H new ATOM 0 HH22 ARG B 370 10.290 6.536 -6.679 1.00 0.00 H new ATOM 960 N LYS B 371 16.040 0.427 -6.195 1.00 0.00 N ATOM 961 CA LYS B 371 17.321 -0.080 -6.766 1.00 0.00 C ATOM 962 C LYS B 371 17.198 -0.172 -8.287 1.00 0.00 C ATOM 963 O LYS B 371 16.235 -0.696 -8.813 1.00 0.00 O ATOM 964 CB LYS B 371 17.619 -1.467 -6.194 1.00 0.00 C ATOM 965 CG LYS B 371 18.997 -1.931 -6.670 1.00 0.00 C ATOM 966 CD LYS B 371 19.266 -3.347 -6.153 1.00 0.00 C ATOM 967 CE LYS B 371 20.701 -3.752 -6.495 1.00 0.00 C ATOM 968 NZ LYS B 371 20.680 -4.854 -7.496 1.00 0.00 N ATOM 0 H LYS B 371 15.201 -0.054 -6.520 1.00 0.00 H new ATOM 0 HA LYS B 371 18.131 0.602 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS B 371 17.590 -1.437 -5.105 1.00 0.00 H new ATOM 0 HB3 LYS B 371 16.855 -2.176 -6.513 1.00 0.00 H new ATOM 0 HG2 LYS B 371 19.042 -1.915 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS B 371 19.767 -1.249 -6.310 1.00 0.00 H new ATOM 0 HD2 LYS B 371 19.113 -3.387 -5.075 1.00 0.00 H new ATOM 0 HD3 LYS B 371 18.562 -4.049 -6.601 1.00 0.00 H new ATOM 0 HE2 LYS B 371 21.247 -2.896 -6.892 1.00 0.00 H new ATOM 0 HE3 LYS B 371 21.224 -4.074 -5.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 371 21.655 -5.130 -7.729 1.00 0.00 H new ATOM 0 HZ2 LYS B 371 20.174 -5.672 -7.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 371 20.196 -4.531 -8.358 1.00 0.00 H new ATOM 982 N SER B 372 18.166 0.334 -9.002 1.00 0.00 N ATOM 983 CA SER B 372 18.104 0.275 -10.490 1.00 0.00 C ATOM 984 C SER B 372 18.498 -1.126 -10.962 1.00 0.00 C ATOM 985 O SER B 372 19.679 -1.348 -11.177 1.00 0.00 O ATOM 986 CB SER B 372 19.071 1.302 -11.081 1.00 0.00 C ATOM 987 OG SER B 372 19.462 0.884 -12.382 1.00 0.00 O ATOM 988 OXT SER B 372 17.611 -1.954 -11.099 1.00 0.00 O ATOM 0 H SER B 372 18.997 0.786 -8.620 1.00 0.00 H new ATOM 0 HA SER B 372 17.090 0.498 -10.820 1.00 0.00 H new ATOM 0 HB2 SER B 372 18.595 2.281 -11.129 1.00 0.00 H new ATOM 0 HB3 SER B 372 19.947 1.404 -10.441 1.00 0.00 H new ATOM 0 HG SER B 372 19.979 0.054 -12.317 1.00 0.00 H new TER 994 SER B 372 HETATM 995 ZN ZN A 401 2.016 5.110 -5.560 1.00 0.00 ZN HETATM 996 ZN ZN A 402 -7.651 -5.547 -1.519 1.00 0.00 ZN