USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=11 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 180:sc= 0 USER MOD Single : A 319 ASN : amide:sc= -0.065 X(o=-0.065,f=-0.34) USER MOD Single : A 333 SER OG : rot 102:sc= 0.444! USER MOD Single : A 334 TYR OH : rot 52:sc= 0.228 USER MOD Single : A 336 THR OG1 : rot -171:sc= -2.18! USER MOD Single : A 344 HIS : no HD1:sc= -0.412 K(o=-0.41,f=-1.3) USER MOD Single : A 348 LYS NZ :NH3+ -166:sc= -0.399 (180deg=-0.856) USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 GLN : amide:sc= -1.55 K(o=-1.5,f=-2.1!) USER MOD Single : B 365 THR OG1 : rot 180:sc= 0 USER MOD Single : B 366 LYS NZ :NH3+ -108:sc= -0.241 (180deg=-0.626) USER MOD Single : B 367 GLN : amide:sc= -0.0425 X(o=-0.043,f=-0.13) USER MOD Single : B 368 THR OG1 : rot 93:sc= -0.261 USER MOD Single : B 371 LYS NZ :NH3+ -170:sc= -0.684 (180deg=-1.05) USER MOD Single : B 372 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 306 11.596 -10.641 -2.655 1.00 0.00 N ATOM 2 CA ALA A 306 11.716 -9.836 -1.406 1.00 0.00 C ATOM 3 C ALA A 306 10.373 -9.175 -1.090 1.00 0.00 C ATOM 4 O ALA A 306 9.731 -8.609 -1.950 1.00 0.00 O ATOM 5 CB ALA A 306 12.781 -8.756 -1.586 1.00 0.00 C ATOM 0 HA ALA A 306 12.002 -10.493 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 306 12.864 -8.171 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 306 13.740 -9.224 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 306 12.499 -8.101 -2.411 1.00 0.00 H new ATOM 13 N VAL A 307 9.948 -9.244 0.137 1.00 0.00 N ATOM 14 CA VAL A 307 8.654 -8.624 0.517 1.00 0.00 C ATOM 15 C VAL A 307 8.736 -7.107 0.315 1.00 0.00 C ATOM 16 O VAL A 307 7.793 -6.478 -0.118 1.00 0.00 O ATOM 17 CB VAL A 307 8.375 -8.943 1.986 1.00 0.00 C ATOM 18 CG1 VAL A 307 7.101 -8.236 2.431 1.00 0.00 C ATOM 19 CG2 VAL A 307 8.202 -10.453 2.154 1.00 0.00 C ATOM 0 H VAL A 307 10.445 -9.707 0.898 1.00 0.00 H new ATOM 0 HA VAL A 307 7.849 -9.018 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 307 9.211 -8.600 2.595 1.00 0.00 H new ATOM 0 HG11 VAL A 307 6.905 -8.465 3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 307 7.222 -7.159 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 307 6.264 -8.577 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 307 8.003 -10.682 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 307 7.366 -10.794 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 307 9.113 -10.961 1.838 1.00 0.00 H new ATOM 29 N ASP A 308 9.861 -6.518 0.623 1.00 0.00 N ATOM 30 CA ASP A 308 10.012 -5.043 0.451 1.00 0.00 C ATOM 31 C ASP A 308 9.831 -4.675 -1.025 1.00 0.00 C ATOM 32 O ASP A 308 9.397 -3.591 -1.356 1.00 0.00 O ATOM 33 CB ASP A 308 11.406 -4.618 0.916 1.00 0.00 C ATOM 34 CG ASP A 308 11.524 -4.823 2.428 1.00 0.00 C ATOM 35 OD1 ASP A 308 10.501 -5.036 3.059 1.00 0.00 O ATOM 36 OD2 ASP A 308 12.634 -4.762 2.929 1.00 0.00 O ATOM 0 H ASP A 308 10.685 -6.996 0.988 1.00 0.00 H new ATOM 0 HA ASP A 308 9.256 -4.530 1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 308 12.167 -5.202 0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 308 11.581 -3.572 0.665 1.00 0.00 H new ATOM 41 N LEU A 309 10.170 -5.570 -1.910 1.00 0.00 N ATOM 42 CA LEU A 309 10.032 -5.285 -3.364 1.00 0.00 C ATOM 43 C LEU A 309 8.631 -4.760 -3.670 1.00 0.00 C ATOM 44 O LEU A 309 8.409 -4.117 -4.678 1.00 0.00 O ATOM 45 CB LEU A 309 10.269 -6.573 -4.153 1.00 0.00 C ATOM 46 CG LEU A 309 10.063 -6.311 -5.643 1.00 0.00 C ATOM 47 CD1 LEU A 309 11.033 -5.221 -6.102 1.00 0.00 C ATOM 48 CD2 LEU A 309 10.338 -7.597 -6.424 1.00 0.00 C ATOM 0 H LEU A 309 10.540 -6.494 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 309 10.765 -4.530 -3.649 1.00 0.00 H new ATOM 0 HB2 LEU A 309 11.280 -6.939 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 309 9.585 -7.350 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 309 9.038 -5.987 -5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 309 10.889 -5.031 -7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 309 10.844 -4.306 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 309 12.058 -5.549 -5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 309 10.192 -7.414 -7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 309 11.365 -7.917 -6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 309 9.653 -8.377 -6.093 1.00 0.00 H new ATOM 60 N TYR A 310 7.679 -5.037 -2.833 1.00 0.00 N ATOM 61 CA TYR A 310 6.299 -4.562 -3.117 1.00 0.00 C ATOM 62 C TYR A 310 6.290 -3.042 -3.250 1.00 0.00 C ATOM 63 O TYR A 310 6.655 -2.323 -2.341 1.00 0.00 O ATOM 64 CB TYR A 310 5.394 -4.950 -1.957 1.00 0.00 C ATOM 65 CG TYR A 310 4.775 -6.301 -2.206 1.00 0.00 C ATOM 66 CD1 TYR A 310 5.585 -7.419 -2.429 1.00 0.00 C ATOM 67 CD2 TYR A 310 3.385 -6.431 -2.201 1.00 0.00 C ATOM 68 CE1 TYR A 310 5.001 -8.672 -2.648 1.00 0.00 C ATOM 69 CE2 TYR A 310 2.799 -7.680 -2.422 1.00 0.00 C ATOM 70 CZ TYR A 310 3.606 -8.803 -2.645 1.00 0.00 C ATOM 71 OH TYR A 310 3.028 -10.037 -2.861 1.00 0.00 O ATOM 0 H TYR A 310 7.792 -5.568 -1.969 1.00 0.00 H new ATOM 0 HA TYR A 310 5.948 -5.014 -4.045 1.00 0.00 H new ATOM 0 HB2 TYR A 310 5.968 -4.970 -1.030 1.00 0.00 H new ATOM 0 HB3 TYR A 310 4.612 -4.202 -1.831 1.00 0.00 H new ATOM 0 HD1 TYR A 310 6.660 -7.316 -2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 310 2.762 -5.566 -2.026 1.00 0.00 H new ATOM 0 HE1 TYR A 310 5.625 -9.537 -2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 310 1.724 -7.780 -2.421 1.00 0.00 H new ATOM 0 HH TYR A 310 2.052 -9.952 -2.825 1.00 0.00 H new ATOM 81 N VAL A 311 5.856 -2.551 -4.383 1.00 0.00 N ATOM 82 CA VAL A 311 5.797 -1.080 -4.592 1.00 0.00 C ATOM 83 C VAL A 311 4.383 -0.681 -5.017 1.00 0.00 C ATOM 84 O VAL A 311 3.628 -1.483 -5.524 1.00 0.00 O ATOM 85 CB VAL A 311 6.793 -0.672 -5.680 1.00 0.00 C ATOM 86 CG1 VAL A 311 8.219 -0.871 -5.169 1.00 0.00 C ATOM 87 CG2 VAL A 311 6.574 -1.542 -6.919 1.00 0.00 C ATOM 0 H VAL A 311 5.539 -3.112 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 311 6.054 -0.573 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 311 6.642 0.377 -5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 311 8.927 -0.580 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 311 8.377 -0.255 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 311 8.371 -1.920 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 311 7.282 -1.254 -7.696 1.00 0.00 H new ATOM 0 HG22 VAL A 311 6.727 -2.590 -6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 311 5.557 -1.404 -7.286 1.00 0.00 H new ATOM 97 N CYS A 312 4.024 0.558 -4.828 1.00 0.00 N ATOM 98 CA CYS A 312 2.670 1.008 -5.229 1.00 0.00 C ATOM 99 C CYS A 312 2.423 0.566 -6.668 1.00 0.00 C ATOM 100 O CYS A 312 3.073 1.015 -7.592 1.00 0.00 O ATOM 101 CB CYS A 312 2.619 2.532 -5.126 1.00 0.00 C ATOM 102 SG CYS A 312 1.193 3.185 -6.032 1.00 0.00 S ATOM 0 H CYS A 312 4.615 1.278 -4.411 1.00 0.00 H new ATOM 0 HA CYS A 312 1.904 0.578 -4.584 1.00 0.00 H new ATOM 0 HB2 CYS A 312 2.559 2.829 -4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 312 3.538 2.960 -5.526 1.00 0.00 H new ATOM 107 N LEU A 313 1.500 -0.330 -6.862 1.00 0.00 N ATOM 108 CA LEU A 313 1.216 -0.830 -8.233 1.00 0.00 C ATOM 109 C LEU A 313 0.933 0.341 -9.175 1.00 0.00 C ATOM 110 O LEU A 313 1.344 0.338 -10.318 1.00 0.00 O ATOM 111 CB LEU A 313 0.007 -1.762 -8.178 1.00 0.00 C ATOM 112 CG LEU A 313 0.467 -3.207 -8.371 1.00 0.00 C ATOM 113 CD1 LEU A 313 1.459 -3.579 -7.269 1.00 0.00 C ATOM 114 CD2 LEU A 313 -0.745 -4.140 -8.301 1.00 0.00 C ATOM 0 H LEU A 313 0.926 -0.740 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 313 2.083 -1.373 -8.611 1.00 0.00 H new ATOM 0 HB2 LEU A 313 -0.503 -1.657 -7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 313 -0.710 -1.491 -8.953 1.00 0.00 H new ATOM 0 HG LEU A 313 0.950 -3.308 -9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 313 1.787 -4.609 -7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 313 2.322 -2.914 -7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 313 0.977 -3.479 -6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 313 -0.419 -5.171 -8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 313 -1.227 -4.038 -7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 313 -1.453 -3.876 -9.086 1.00 0.00 H new ATOM 126 N LEU A 314 0.237 1.339 -8.715 1.00 0.00 N ATOM 127 CA LEU A 314 -0.062 2.498 -9.600 1.00 0.00 C ATOM 128 C LEU A 314 1.242 3.232 -9.943 1.00 0.00 C ATOM 129 O LEU A 314 1.484 3.572 -11.084 1.00 0.00 O ATOM 130 CB LEU A 314 -1.043 3.429 -8.885 1.00 0.00 C ATOM 131 CG LEU A 314 -2.281 2.630 -8.461 1.00 0.00 C ATOM 132 CD1 LEU A 314 -3.334 3.563 -7.862 1.00 0.00 C ATOM 133 CD2 LEU A 314 -2.871 1.931 -9.680 1.00 0.00 C ATOM 0 H LEU A 314 -0.137 1.404 -7.768 1.00 0.00 H new ATOM 0 HA LEU A 314 -0.516 2.156 -10.530 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -0.568 3.876 -8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -1.332 4.247 -9.544 1.00 0.00 H new ATOM 0 HG LEU A 314 -1.988 1.894 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -4.208 2.983 -7.565 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -2.919 4.067 -6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -3.627 4.306 -8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -3.752 1.362 -9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -3.154 2.675 -10.424 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -2.129 1.255 -10.106 1.00 0.00 H new ATOM 145 N CYS A 315 2.098 3.454 -8.981 1.00 0.00 N ATOM 146 CA CYS A 315 3.394 4.138 -9.281 1.00 0.00 C ATOM 147 C CYS A 315 4.444 3.084 -9.610 1.00 0.00 C ATOM 148 O CYS A 315 4.896 2.958 -10.732 1.00 0.00 O ATOM 149 CB CYS A 315 3.895 4.935 -8.073 1.00 0.00 C ATOM 150 SG CYS A 315 2.691 6.192 -7.603 1.00 0.00 S ATOM 0 H CYS A 315 1.959 3.194 -8.005 1.00 0.00 H new ATOM 0 HA CYS A 315 3.232 4.818 -10.117 1.00 0.00 H new ATOM 0 HB2 CYS A 315 4.073 4.262 -7.234 1.00 0.00 H new ATOM 0 HB3 CYS A 315 4.848 5.407 -8.311 1.00 0.00 H new ATOM 155 N GLY A 316 4.852 2.345 -8.618 1.00 0.00 N ATOM 156 CA GLY A 316 5.894 1.309 -8.821 1.00 0.00 C ATOM 157 C GLY A 316 7.164 1.766 -8.110 1.00 0.00 C ATOM 158 O GLY A 316 8.162 1.075 -8.080 1.00 0.00 O ATOM 0 H GLY A 316 4.501 2.418 -7.663 1.00 0.00 H new ATOM 0 HA2 GLY A 316 5.560 0.351 -8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 316 6.085 1.164 -9.884 1.00 0.00 H new ATOM 162 N SER A 317 7.120 2.930 -7.517 1.00 0.00 N ATOM 163 CA SER A 317 8.305 3.444 -6.782 1.00 0.00 C ATOM 164 C SER A 317 8.157 3.079 -5.307 1.00 0.00 C ATOM 165 O SER A 317 9.126 2.879 -4.608 1.00 0.00 O ATOM 166 CB SER A 317 8.385 4.963 -6.932 1.00 0.00 C ATOM 167 OG SER A 317 8.500 5.294 -8.309 1.00 0.00 O ATOM 0 H SER A 317 6.308 3.547 -7.512 1.00 0.00 H new ATOM 0 HA SER A 317 9.216 3.002 -7.186 1.00 0.00 H new ATOM 0 HB2 SER A 317 7.496 5.429 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 317 9.242 5.350 -6.381 1.00 0.00 H new ATOM 0 HG SER A 317 8.550 6.268 -8.408 1.00 0.00 H new ATOM 173 N GLY A 318 6.932 2.990 -4.853 1.00 0.00 N ATOM 174 CA GLY A 318 6.634 2.634 -3.430 1.00 0.00 C ATOM 175 C GLY A 318 7.796 2.985 -2.499 1.00 0.00 C ATOM 176 O GLY A 318 8.096 2.256 -1.577 1.00 0.00 O ATOM 0 H GLY A 318 6.103 3.154 -5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 318 5.736 3.160 -3.105 1.00 0.00 H new ATOM 0 HA3 GLY A 318 6.422 1.567 -3.359 1.00 0.00 H new ATOM 180 N ASN A 319 8.443 4.093 -2.713 1.00 0.00 N ATOM 181 CA ASN A 319 9.560 4.464 -1.821 1.00 0.00 C ATOM 182 C ASN A 319 8.996 5.220 -0.625 1.00 0.00 C ATOM 183 O ASN A 319 9.614 5.303 0.418 1.00 0.00 O ATOM 184 CB ASN A 319 10.538 5.356 -2.582 1.00 0.00 C ATOM 185 CG ASN A 319 10.049 6.804 -2.533 1.00 0.00 C ATOM 186 OD1 ASN A 319 10.467 7.571 -1.687 1.00 0.00 O ATOM 187 ND2 ASN A 319 9.172 7.212 -3.409 1.00 0.00 N ATOM 0 H ASN A 319 8.244 4.753 -3.465 1.00 0.00 H new ATOM 0 HA ASN A 319 10.083 3.571 -1.479 1.00 0.00 H new ATOM 0 HB2 ASN A 319 11.533 5.281 -2.143 1.00 0.00 H new ATOM 0 HB3 ASN A 319 10.621 5.023 -3.617 1.00 0.00 H new ATOM 0 HD21 ASN A 319 8.837 8.175 -3.384 1.00 0.00 H new ATOM 0 HD22 ASN A 319 8.822 6.568 -4.118 1.00 0.00 H new ATOM 194 N ASP A 320 7.816 5.757 -0.768 1.00 0.00 N ATOM 195 CA ASP A 320 7.187 6.502 0.356 1.00 0.00 C ATOM 196 C ASP A 320 6.799 5.514 1.455 1.00 0.00 C ATOM 197 O ASP A 320 5.669 5.073 1.542 1.00 0.00 O ATOM 198 CB ASP A 320 5.936 7.219 -0.153 1.00 0.00 C ATOM 199 CG ASP A 320 6.343 8.349 -1.099 1.00 0.00 C ATOM 200 OD1 ASP A 320 7.523 8.654 -1.152 1.00 0.00 O ATOM 201 OD2 ASP A 320 5.468 8.891 -1.755 1.00 0.00 O ATOM 0 H ASP A 320 7.258 5.711 -1.621 1.00 0.00 H new ATOM 0 HA ASP A 320 7.888 7.235 0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 320 5.286 6.514 -0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 320 5.368 7.620 0.686 1.00 0.00 H new ATOM 206 N GLU A 321 7.733 5.162 2.291 1.00 0.00 N ATOM 207 CA GLU A 321 7.439 4.197 3.386 1.00 0.00 C ATOM 208 C GLU A 321 6.237 4.671 4.203 1.00 0.00 C ATOM 209 O GLU A 321 5.418 3.886 4.638 1.00 0.00 O ATOM 210 CB GLU A 321 8.661 4.096 4.300 1.00 0.00 C ATOM 211 CG GLU A 321 8.987 5.475 4.877 1.00 0.00 C ATOM 212 CD GLU A 321 10.299 5.402 5.662 1.00 0.00 C ATOM 213 OE1 GLU A 321 10.826 4.310 5.796 1.00 0.00 O ATOM 214 OE2 GLU A 321 10.753 6.440 6.114 1.00 0.00 O ATOM 0 H GLU A 321 8.694 5.503 2.263 1.00 0.00 H new ATOM 0 HA GLU A 321 7.210 3.223 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 321 8.466 3.390 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 321 9.515 3.714 3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 321 9.072 6.207 4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 321 8.179 5.809 5.528 1.00 0.00 H new ATOM 221 N ASP A 322 6.134 5.942 4.431 1.00 0.00 N ATOM 222 CA ASP A 322 5.002 6.465 5.239 1.00 0.00 C ATOM 223 C ASP A 322 3.676 6.364 4.475 1.00 0.00 C ATOM 224 O ASP A 322 2.624 6.293 5.078 1.00 0.00 O ATOM 225 CB ASP A 322 5.268 7.930 5.588 1.00 0.00 C ATOM 226 CG ASP A 322 6.486 8.022 6.509 1.00 0.00 C ATOM 227 OD1 ASP A 322 6.891 6.995 7.028 1.00 0.00 O ATOM 228 OD2 ASP A 322 6.994 9.118 6.680 1.00 0.00 O ATOM 0 H ASP A 322 6.787 6.648 4.092 1.00 0.00 H new ATOM 0 HA ASP A 322 4.923 5.864 6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 322 5.442 8.506 4.679 1.00 0.00 H new ATOM 0 HB3 ASP A 322 4.395 8.363 6.077 1.00 0.00 H new ATOM 233 N ARG A 323 3.701 6.402 3.164 1.00 0.00 N ATOM 234 CA ARG A 323 2.412 6.356 2.408 1.00 0.00 C ATOM 235 C ARG A 323 2.184 5.007 1.715 1.00 0.00 C ATOM 236 O ARG A 323 1.078 4.712 1.311 1.00 0.00 O ATOM 237 CB ARG A 323 2.411 7.476 1.368 1.00 0.00 C ATOM 238 CG ARG A 323 2.717 8.809 2.057 1.00 0.00 C ATOM 239 CD ARG A 323 1.668 9.081 3.134 1.00 0.00 C ATOM 240 NE ARG A 323 1.615 10.544 3.415 1.00 0.00 N ATOM 241 CZ ARG A 323 0.598 11.048 4.060 1.00 0.00 C ATOM 242 NH1 ARG A 323 -0.373 10.271 4.458 1.00 0.00 N ATOM 243 NH2 ARG A 323 0.551 12.329 4.305 1.00 0.00 N ATOM 0 H ARG A 323 4.544 6.462 2.593 1.00 0.00 H new ATOM 0 HA ARG A 323 1.599 6.488 3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 323 3.155 7.273 0.598 1.00 0.00 H new ATOM 0 HB3 ARG A 323 1.442 7.525 0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 323 3.711 8.780 2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 323 2.719 9.616 1.325 1.00 0.00 H new ATOM 0 HD2 ARG A 323 0.691 8.727 2.804 1.00 0.00 H new ATOM 0 HD3 ARG A 323 1.914 8.533 4.044 1.00 0.00 H new ATOM 0 HE ARG A 323 2.373 11.151 3.103 1.00 0.00 H new ATOM 0 HH11 ARG A 323 -0.337 9.270 4.265 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -1.167 10.665 4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 323 1.309 12.936 3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 323 -0.243 12.723 4.809 1.00 0.00 H new ATOM 257 N LEU A 324 3.184 4.183 1.550 1.00 0.00 N ATOM 258 CA LEU A 324 2.933 2.889 0.864 1.00 0.00 C ATOM 259 C LEU A 324 2.160 1.954 1.797 1.00 0.00 C ATOM 260 O LEU A 324 2.693 1.466 2.773 1.00 0.00 O ATOM 261 CB LEU A 324 4.276 2.263 0.516 1.00 0.00 C ATOM 262 CG LEU A 324 4.117 1.230 -0.597 1.00 0.00 C ATOM 263 CD1 LEU A 324 3.087 0.174 -0.199 1.00 0.00 C ATOM 264 CD2 LEU A 324 3.661 1.915 -1.882 1.00 0.00 C ATOM 0 H LEU A 324 4.144 4.347 1.854 1.00 0.00 H new ATOM 0 HA LEU A 324 2.347 3.051 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 324 4.974 3.039 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 324 4.702 1.790 1.400 1.00 0.00 H new ATOM 0 HG LEU A 324 5.081 0.748 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 324 2.985 -0.555 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 324 3.416 -0.331 0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 324 2.125 0.654 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 324 3.550 1.171 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 324 2.704 2.409 -1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 324 4.403 2.655 -2.183 1.00 0.00 H new ATOM 276 N LEU A 325 0.912 1.683 1.495 1.00 0.00 N ATOM 277 CA LEU A 325 0.119 0.762 2.360 1.00 0.00 C ATOM 278 C LEU A 325 -0.108 -0.547 1.602 1.00 0.00 C ATOM 279 O LEU A 325 -0.486 -0.548 0.448 1.00 0.00 O ATOM 280 CB LEU A 325 -1.239 1.372 2.743 1.00 0.00 C ATOM 281 CG LEU A 325 -1.470 2.701 2.025 1.00 0.00 C ATOM 282 CD1 LEU A 325 -1.948 2.418 0.607 1.00 0.00 C ATOM 283 CD2 LEU A 325 -2.548 3.490 2.764 1.00 0.00 C ATOM 0 H LEU A 325 0.413 2.060 0.689 1.00 0.00 H new ATOM 0 HA LEU A 325 0.676 0.586 3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -2.038 0.675 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -1.280 1.526 3.821 1.00 0.00 H new ATOM 0 HG LEU A 325 -0.544 3.275 2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -2.116 3.360 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -1.192 1.839 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -2.879 1.852 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -2.717 4.439 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -3.474 2.916 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -2.224 3.679 3.787 1.00 0.00 H new ATOM 295 N LEU A 326 0.128 -1.661 2.236 1.00 0.00 N ATOM 296 CA LEU A 326 -0.064 -2.967 1.548 1.00 0.00 C ATOM 297 C LEU A 326 -1.424 -3.559 1.918 1.00 0.00 C ATOM 298 O LEU A 326 -1.740 -3.724 3.083 1.00 0.00 O ATOM 299 CB LEU A 326 1.055 -3.917 1.989 1.00 0.00 C ATOM 300 CG LEU A 326 0.741 -5.352 1.556 1.00 0.00 C ATOM 301 CD1 LEU A 326 2.002 -6.002 0.983 1.00 0.00 C ATOM 302 CD2 LEU A 326 0.270 -6.153 2.772 1.00 0.00 C ATOM 0 H LEU A 326 0.446 -1.723 3.203 1.00 0.00 H new ATOM 0 HA LEU A 326 -0.031 -2.826 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 326 2.003 -3.599 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 326 1.171 -3.875 3.072 1.00 0.00 H new ATOM 0 HG LEU A 326 -0.040 -5.340 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 326 1.777 -7.023 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 326 2.346 -5.431 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 326 2.782 -6.016 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 326 0.045 -7.176 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 326 1.055 -6.163 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 326 -0.626 -5.692 3.186 1.00 0.00 H new ATOM 314 N CYS A 327 -2.229 -3.893 0.934 1.00 0.00 N ATOM 315 CA CYS A 327 -3.564 -4.495 1.237 1.00 0.00 C ATOM 316 C CYS A 327 -3.391 -6.001 1.369 1.00 0.00 C ATOM 317 O CYS A 327 -2.902 -6.666 0.473 1.00 0.00 O ATOM 318 CB CYS A 327 -4.571 -4.172 0.127 1.00 0.00 C ATOM 319 SG CYS A 327 -5.349 -5.701 -0.478 1.00 0.00 S ATOM 0 H CYS A 327 -2.019 -3.775 -0.057 1.00 0.00 H new ATOM 0 HA CYS A 327 -3.951 -4.078 2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -5.334 -3.492 0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -4.067 -3.662 -0.694 1.00 0.00 H new ATOM 324 N ASP A 328 -3.765 -6.531 2.498 1.00 0.00 N ATOM 325 CA ASP A 328 -3.610 -7.992 2.744 1.00 0.00 C ATOM 326 C ASP A 328 -4.686 -8.795 2.012 1.00 0.00 C ATOM 327 O ASP A 328 -4.452 -9.903 1.573 1.00 0.00 O ATOM 328 CB ASP A 328 -3.721 -8.256 4.245 1.00 0.00 C ATOM 329 CG ASP A 328 -2.545 -7.601 4.971 1.00 0.00 C ATOM 330 OD1 ASP A 328 -1.573 -7.273 4.310 1.00 0.00 O ATOM 331 OD2 ASP A 328 -2.634 -7.440 6.177 1.00 0.00 O ATOM 0 H ASP A 328 -4.177 -6.008 3.271 1.00 0.00 H new ATOM 0 HA ASP A 328 -2.635 -8.305 2.369 1.00 0.00 H new ATOM 0 HB2 ASP A 328 -4.662 -7.859 4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 328 -3.727 -9.329 4.436 1.00 0.00 H new ATOM 336 N GLY A 329 -5.869 -8.263 1.900 1.00 0.00 N ATOM 337 CA GLY A 329 -6.957 -9.022 1.226 1.00 0.00 C ATOM 338 C GLY A 329 -6.563 -9.358 -0.213 1.00 0.00 C ATOM 339 O GLY A 329 -6.522 -10.508 -0.600 1.00 0.00 O ATOM 0 H GLY A 329 -6.130 -7.339 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -7.163 -9.940 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -7.875 -8.434 1.230 1.00 0.00 H new ATOM 343 N CYS A 330 -6.289 -8.367 -1.013 1.00 0.00 N ATOM 344 CA CYS A 330 -5.917 -8.647 -2.428 1.00 0.00 C ATOM 345 C CYS A 330 -4.849 -7.658 -2.920 1.00 0.00 C ATOM 346 O CYS A 330 -3.724 -8.037 -3.183 1.00 0.00 O ATOM 347 CB CYS A 330 -7.167 -8.568 -3.307 1.00 0.00 C ATOM 348 SG CYS A 330 -7.811 -6.879 -3.342 1.00 0.00 S ATOM 0 H CYS A 330 -6.306 -7.381 -0.752 1.00 0.00 H new ATOM 0 HA CYS A 330 -5.495 -9.650 -2.491 1.00 0.00 H new ATOM 0 HB2 CYS A 330 -6.928 -8.893 -4.319 1.00 0.00 H new ATOM 0 HB3 CYS A 330 -7.930 -9.247 -2.926 1.00 0.00 H new ATOM 353 N ASP A 331 -5.188 -6.401 -3.065 1.00 0.00 N ATOM 354 CA ASP A 331 -4.194 -5.407 -3.555 1.00 0.00 C ATOM 355 C ASP A 331 -2.850 -5.668 -2.888 1.00 0.00 C ATOM 356 O ASP A 331 -2.775 -6.115 -1.762 1.00 0.00 O ATOM 357 CB ASP A 331 -4.674 -3.991 -3.218 1.00 0.00 C ATOM 358 CG ASP A 331 -5.290 -3.323 -4.454 1.00 0.00 C ATOM 359 OD1 ASP A 331 -5.525 -4.013 -5.432 1.00 0.00 O ATOM 360 OD2 ASP A 331 -5.516 -2.124 -4.400 1.00 0.00 O ATOM 0 H ASP A 331 -6.114 -6.023 -2.864 1.00 0.00 H new ATOM 0 HA ASP A 331 -4.086 -5.500 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 331 -5.410 -4.032 -2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 331 -3.838 -3.394 -2.854 1.00 0.00 H new ATOM 365 N ASP A 332 -1.789 -5.417 -3.592 1.00 0.00 N ATOM 366 CA ASP A 332 -0.444 -5.672 -3.030 1.00 0.00 C ATOM 367 C ASP A 332 0.129 -4.412 -2.386 1.00 0.00 C ATOM 368 O ASP A 332 0.313 -4.350 -1.188 1.00 0.00 O ATOM 369 CB ASP A 332 0.472 -6.116 -4.169 1.00 0.00 C ATOM 370 CG ASP A 332 0.158 -7.565 -4.545 1.00 0.00 C ATOM 371 OD1 ASP A 332 -0.626 -8.182 -3.842 1.00 0.00 O ATOM 372 OD2 ASP A 332 0.706 -8.033 -5.528 1.00 0.00 O ATOM 0 H ASP A 332 -1.797 -5.043 -4.541 1.00 0.00 H new ATOM 0 HA ASP A 332 -0.516 -6.443 -2.263 1.00 0.00 H new ATOM 0 HB2 ASP A 332 0.334 -5.467 -5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 332 1.515 -6.026 -3.866 1.00 0.00 H new ATOM 377 N SER A 333 0.422 -3.408 -3.166 1.00 0.00 N ATOM 378 CA SER A 333 1.006 -2.170 -2.582 1.00 0.00 C ATOM 379 C SER A 333 0.356 -0.934 -3.201 1.00 0.00 C ATOM 380 O SER A 333 0.107 -0.877 -4.389 1.00 0.00 O ATOM 381 CB SER A 333 2.507 -2.166 -2.861 1.00 0.00 C ATOM 382 OG SER A 333 2.762 -2.946 -4.021 1.00 0.00 O ATOM 0 H SER A 333 0.283 -3.392 -4.176 1.00 0.00 H new ATOM 0 HA SER A 333 0.825 -2.148 -1.507 1.00 0.00 H new ATOM 0 HB2 SER A 333 2.860 -1.145 -3.008 1.00 0.00 H new ATOM 0 HB3 SER A 333 3.050 -2.571 -2.007 1.00 0.00 H new ATOM 0 HG SER A 333 2.909 -2.354 -4.788 1.00 0.00 H new ATOM 388 N TYR A 334 0.076 0.057 -2.397 1.00 0.00 N ATOM 389 CA TYR A 334 -0.563 1.287 -2.931 1.00 0.00 C ATOM 390 C TYR A 334 -0.205 2.483 -2.048 1.00 0.00 C ATOM 391 O TYR A 334 0.238 2.334 -0.928 1.00 0.00 O ATOM 392 CB TYR A 334 -2.085 1.102 -2.931 1.00 0.00 C ATOM 393 CG TYR A 334 -2.481 0.159 -4.043 1.00 0.00 C ATOM 394 CD1 TYR A 334 -2.386 -1.227 -3.862 1.00 0.00 C ATOM 395 CD2 TYR A 334 -2.937 0.676 -5.258 1.00 0.00 C ATOM 396 CE1 TYR A 334 -2.745 -2.095 -4.902 1.00 0.00 C ATOM 397 CE2 TYR A 334 -3.301 -0.191 -6.296 1.00 0.00 C ATOM 398 CZ TYR A 334 -3.203 -1.576 -6.118 1.00 0.00 C ATOM 399 OH TYR A 334 -3.558 -2.430 -7.142 1.00 0.00 O ATOM 0 H TYR A 334 0.263 0.065 -1.394 1.00 0.00 H new ATOM 0 HA TYR A 334 -0.207 1.467 -3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -2.413 0.706 -1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -2.578 2.065 -3.064 1.00 0.00 H new ATOM 0 HD1 TYR A 334 -2.036 -1.626 -2.921 1.00 0.00 H new ATOM 0 HD2 TYR A 334 -3.009 1.745 -5.397 1.00 0.00 H new ATOM 0 HE1 TYR A 334 -2.668 -3.164 -4.765 1.00 0.00 H new ATOM 0 HE2 TYR A 334 -3.657 0.209 -7.234 1.00 0.00 H new ATOM 0 HH TYR A 334 -4.198 -3.093 -6.808 1.00 0.00 H new ATOM 409 N HIS A 335 -0.412 3.671 -2.542 1.00 0.00 N ATOM 410 CA HIS A 335 -0.120 4.881 -1.733 1.00 0.00 C ATOM 411 C HIS A 335 -1.442 5.463 -1.239 1.00 0.00 C ATOM 412 O HIS A 335 -2.452 5.370 -1.907 1.00 0.00 O ATOM 413 CB HIS A 335 0.563 5.936 -2.595 1.00 0.00 C ATOM 414 CG HIS A 335 2.021 5.629 -2.760 1.00 0.00 C ATOM 415 ND1 HIS A 335 2.600 5.460 -4.011 1.00 0.00 N ATOM 416 CD2 HIS A 335 3.031 5.446 -1.847 1.00 0.00 C ATOM 417 CE1 HIS A 335 3.905 5.183 -3.812 1.00 0.00 C ATOM 418 NE2 HIS A 335 4.213 5.167 -2.515 1.00 0.00 N ATOM 0 H HIS A 335 -0.773 3.855 -3.478 1.00 0.00 H new ATOM 0 HA HIS A 335 0.529 4.608 -0.901 1.00 0.00 H new ATOM 0 HB2 HIS A 335 0.083 5.979 -3.573 1.00 0.00 H new ATOM 0 HB3 HIS A 335 0.443 6.918 -2.138 1.00 0.00 H new ATOM 0 HD2 HIS A 335 2.921 5.510 -0.775 1.00 0.00 H new ATOM 0 HE1 HIS A 335 4.613 4.997 -4.606 1.00 0.00 H new ATOM 0 HE2 HIS A 335 5.128 4.987 -2.101 1.00 0.00 H new ATOM 426 N THR A 336 -1.450 6.071 -0.093 1.00 0.00 N ATOM 427 CA THR A 336 -2.721 6.661 0.406 1.00 0.00 C ATOM 428 C THR A 336 -3.270 7.639 -0.640 1.00 0.00 C ATOM 429 O THR A 336 -4.466 7.782 -0.798 1.00 0.00 O ATOM 430 CB THR A 336 -2.465 7.402 1.728 1.00 0.00 C ATOM 431 OG1 THR A 336 -3.707 7.701 2.347 1.00 0.00 O ATOM 432 CG2 THR A 336 -1.705 8.706 1.468 1.00 0.00 C ATOM 0 H THR A 336 -0.641 6.186 0.518 1.00 0.00 H new ATOM 0 HA THR A 336 -3.448 5.868 0.579 1.00 0.00 H new ATOM 0 HB THR A 336 -1.867 6.765 2.380 1.00 0.00 H new ATOM 0 HG1 THR A 336 -3.557 8.294 3.113 1.00 0.00 H new ATOM 0 HG21 THR A 336 -1.531 9.220 2.413 1.00 0.00 H new ATOM 0 HG22 THR A 336 -0.749 8.482 0.995 1.00 0.00 H new ATOM 0 HG23 THR A 336 -2.294 9.345 0.810 1.00 0.00 H new ATOM 440 N PHE A 337 -2.407 8.328 -1.345 1.00 0.00 N ATOM 441 CA PHE A 337 -2.887 9.311 -2.360 1.00 0.00 C ATOM 442 C PHE A 337 -3.188 8.635 -3.701 1.00 0.00 C ATOM 443 O PHE A 337 -3.936 9.155 -4.506 1.00 0.00 O ATOM 444 CB PHE A 337 -1.826 10.398 -2.562 1.00 0.00 C ATOM 445 CG PHE A 337 -0.454 9.776 -2.699 1.00 0.00 C ATOM 446 CD1 PHE A 337 0.007 9.348 -3.951 1.00 0.00 C ATOM 447 CD2 PHE A 337 0.365 9.641 -1.570 1.00 0.00 C ATOM 448 CE1 PHE A 337 1.287 8.786 -4.073 1.00 0.00 C ATOM 449 CE2 PHE A 337 1.641 9.078 -1.692 1.00 0.00 C ATOM 450 CZ PHE A 337 2.101 8.650 -2.943 1.00 0.00 C ATOM 0 H PHE A 337 -1.393 8.251 -1.261 1.00 0.00 H new ATOM 0 HA PHE A 337 -3.812 9.753 -1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -2.059 10.981 -3.453 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -1.837 11.088 -1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -0.623 9.451 -4.822 1.00 0.00 H new ATOM 0 HD2 PHE A 337 0.011 9.972 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 337 1.644 8.459 -5.038 1.00 0.00 H new ATOM 0 HE2 PHE A 337 2.271 8.974 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 337 3.085 8.215 -3.036 1.00 0.00 H new ATOM 460 N CYS A 338 -2.618 7.495 -3.964 1.00 0.00 N ATOM 461 CA CYS A 338 -2.886 6.822 -5.263 1.00 0.00 C ATOM 462 C CYS A 338 -4.182 6.020 -5.173 1.00 0.00 C ATOM 463 O CYS A 338 -4.600 5.387 -6.122 1.00 0.00 O ATOM 464 CB CYS A 338 -1.734 5.882 -5.582 1.00 0.00 C ATOM 465 SG CYS A 338 -0.235 6.847 -5.867 1.00 0.00 S ATOM 0 H CYS A 338 -1.981 7.001 -3.339 1.00 0.00 H new ATOM 0 HA CYS A 338 -2.983 7.572 -6.048 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -1.580 5.185 -4.758 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -1.970 5.286 -6.464 1.00 0.00 H new ATOM 470 N LEU A 339 -4.808 6.022 -4.033 1.00 0.00 N ATOM 471 CA LEU A 339 -6.059 5.239 -3.871 1.00 0.00 C ATOM 472 C LEU A 339 -7.286 6.143 -4.006 1.00 0.00 C ATOM 473 O LEU A 339 -7.724 6.477 -5.089 1.00 0.00 O ATOM 474 CB LEU A 339 -6.038 4.602 -2.485 1.00 0.00 C ATOM 475 CG LEU A 339 -5.280 3.285 -2.569 1.00 0.00 C ATOM 476 CD1 LEU A 339 -4.648 2.982 -1.220 1.00 0.00 C ATOM 477 CD2 LEU A 339 -6.244 2.166 -2.941 1.00 0.00 C ATOM 0 H LEU A 339 -4.506 6.534 -3.204 1.00 0.00 H new ATOM 0 HA LEU A 339 -6.118 4.475 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -5.559 5.270 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -7.055 4.432 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 339 -4.502 3.360 -3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -4.104 2.039 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -3.959 3.783 -0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -5.427 2.906 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -5.701 1.223 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -7.022 2.089 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -6.700 2.384 -3.907 1.00 0.00 H new ATOM 489 N ILE A 340 -7.827 6.538 -2.896 1.00 0.00 N ATOM 490 CA ILE A 340 -9.017 7.427 -2.876 1.00 0.00 C ATOM 491 C ILE A 340 -8.599 8.646 -2.059 1.00 0.00 C ATOM 492 O ILE A 340 -7.517 8.622 -1.509 1.00 0.00 O ATOM 493 CB ILE A 340 -10.170 6.666 -2.201 1.00 0.00 C ATOM 494 CG1 ILE A 340 -10.271 7.073 -0.729 1.00 0.00 C ATOM 495 CG2 ILE A 340 -9.893 5.163 -2.279 1.00 0.00 C ATOM 496 CD1 ILE A 340 -11.237 6.132 -0.005 1.00 0.00 C ATOM 0 H ILE A 340 -7.484 6.274 -1.972 1.00 0.00 H new ATOM 0 HA ILE A 340 -9.352 7.731 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 340 -11.104 6.905 -2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -9.287 7.032 -0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -10.620 8.102 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -10.707 4.618 -1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -9.817 4.861 -3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -8.957 4.938 -1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -11.309 6.421 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -12.222 6.195 -0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -10.869 5.109 -0.074 1.00 0.00 H new ATOM 508 N PRO A 341 -9.395 9.698 -1.953 1.00 0.00 N ATOM 509 CA PRO A 341 -9.009 10.881 -1.156 1.00 0.00 C ATOM 510 C PRO A 341 -7.988 10.474 -0.081 1.00 0.00 C ATOM 511 O PRO A 341 -8.298 9.685 0.791 1.00 0.00 O ATOM 512 CB PRO A 341 -10.346 11.303 -0.558 1.00 0.00 C ATOM 513 CG PRO A 341 -11.372 10.931 -1.597 1.00 0.00 C ATOM 514 CD PRO A 341 -10.719 9.911 -2.552 1.00 0.00 C ATOM 0 HA PRO A 341 -8.527 11.682 -1.717 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -10.536 10.791 0.385 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -10.365 12.373 -0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -12.257 10.503 -1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -11.699 11.814 -2.146 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -11.291 8.985 -2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -10.645 10.299 -3.568 1.00 0.00 H new ATOM 522 N PRO A 342 -6.756 10.919 -0.186 1.00 0.00 N ATOM 523 CA PRO A 342 -5.680 10.493 0.738 1.00 0.00 C ATOM 524 C PRO A 342 -6.169 10.171 2.145 1.00 0.00 C ATOM 525 O PRO A 342 -6.911 10.915 2.756 1.00 0.00 O ATOM 526 CB PRO A 342 -4.727 11.677 0.733 1.00 0.00 C ATOM 527 CG PRO A 342 -4.859 12.282 -0.628 1.00 0.00 C ATOM 528 CD PRO A 342 -6.238 11.884 -1.175 1.00 0.00 C ATOM 0 HA PRO A 342 -5.221 9.559 0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -4.988 12.395 1.510 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -3.702 11.358 0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -4.765 13.367 -0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -4.067 11.924 -1.286 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -6.894 12.749 -1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -6.159 11.436 -2.165 1.00 0.00 H new ATOM 536 N LEU A 343 -5.743 9.048 2.655 1.00 0.00 N ATOM 537 CA LEU A 343 -6.148 8.626 4.017 1.00 0.00 C ATOM 538 C LEU A 343 -5.373 9.455 5.042 1.00 0.00 C ATOM 539 O LEU A 343 -4.341 10.021 4.739 1.00 0.00 O ATOM 540 CB LEU A 343 -5.813 7.142 4.186 1.00 0.00 C ATOM 541 CG LEU A 343 -6.297 6.375 2.950 1.00 0.00 C ATOM 542 CD1 LEU A 343 -6.108 4.872 3.166 1.00 0.00 C ATOM 543 CD2 LEU A 343 -7.775 6.676 2.705 1.00 0.00 C ATOM 0 H LEU A 343 -5.122 8.398 2.174 1.00 0.00 H new ATOM 0 HA LEU A 343 -7.217 8.779 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -4.738 7.011 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -6.290 6.749 5.084 1.00 0.00 H new ATOM 0 HG LEU A 343 -5.715 6.689 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -6.454 4.331 2.285 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -5.052 4.658 3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -6.684 4.554 4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -8.117 6.130 1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -8.358 6.368 3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -7.906 7.746 2.541 1.00 0.00 H new ATOM 555 N HIS A 344 -5.857 9.542 6.250 1.00 0.00 N ATOM 556 CA HIS A 344 -5.134 10.349 7.273 1.00 0.00 C ATOM 557 C HIS A 344 -3.744 9.761 7.493 1.00 0.00 C ATOM 558 O HIS A 344 -2.764 10.473 7.583 1.00 0.00 O ATOM 559 CB HIS A 344 -5.910 10.326 8.591 1.00 0.00 C ATOM 560 CG HIS A 344 -5.057 10.920 9.676 1.00 0.00 C ATOM 561 ND1 HIS A 344 -4.202 11.988 9.443 1.00 0.00 N ATOM 562 CD2 HIS A 344 -4.906 10.601 11.003 1.00 0.00 C ATOM 563 CE1 HIS A 344 -3.578 12.269 10.602 1.00 0.00 C ATOM 564 NE2 HIS A 344 -3.973 11.454 11.581 1.00 0.00 N ATOM 0 H HIS A 344 -6.715 9.093 6.572 1.00 0.00 H new ATOM 0 HA HIS A 344 -5.045 11.378 6.924 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -6.837 10.890 8.491 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -6.185 9.303 8.847 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -5.431 9.810 11.518 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -2.849 13.056 10.724 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -3.657 11.456 12.551 1.00 0.00 H new ATOM 573 N ASP A 345 -3.647 8.467 7.565 1.00 0.00 N ATOM 574 CA ASP A 345 -2.316 7.833 7.765 1.00 0.00 C ATOM 575 C ASP A 345 -2.392 6.365 7.359 1.00 0.00 C ATOM 576 O ASP A 345 -3.449 5.850 7.065 1.00 0.00 O ATOM 577 CB ASP A 345 -1.904 7.934 9.234 1.00 0.00 C ATOM 578 CG ASP A 345 -0.391 7.738 9.354 1.00 0.00 C ATOM 579 OD1 ASP A 345 0.256 7.634 8.324 1.00 0.00 O ATOM 580 OD2 ASP A 345 0.093 7.694 10.473 1.00 0.00 O ATOM 0 H ASP A 345 -4.431 7.819 7.494 1.00 0.00 H new ATOM 0 HA ASP A 345 -1.577 8.348 7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -2.189 8.906 9.637 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -2.427 7.180 9.822 1.00 0.00 H new ATOM 585 N VAL A 346 -1.279 5.687 7.343 1.00 0.00 N ATOM 586 CA VAL A 346 -1.285 4.248 6.957 1.00 0.00 C ATOM 587 C VAL A 346 -1.863 3.408 8.112 1.00 0.00 C ATOM 588 O VAL A 346 -1.276 3.342 9.174 1.00 0.00 O ATOM 589 CB VAL A 346 0.152 3.800 6.683 1.00 0.00 C ATOM 590 CG1 VAL A 346 0.544 4.184 5.255 1.00 0.00 C ATOM 591 CG2 VAL A 346 1.097 4.485 7.672 1.00 0.00 C ATOM 0 H VAL A 346 -0.363 6.068 7.581 1.00 0.00 H new ATOM 0 HA VAL A 346 -1.896 4.111 6.065 1.00 0.00 H new ATOM 0 HB VAL A 346 0.223 2.719 6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 346 1.568 3.865 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 346 -0.129 3.696 4.549 1.00 0.00 H new ATOM 0 HG13 VAL A 346 0.472 5.265 5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 346 2.121 4.166 7.477 1.00 0.00 H new ATOM 0 HG22 VAL A 346 1.025 5.566 7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 346 0.819 4.211 8.690 1.00 0.00 H new ATOM 601 N PRO A 347 -2.996 2.765 7.921 1.00 0.00 N ATOM 602 CA PRO A 347 -3.623 1.922 8.986 1.00 0.00 C ATOM 603 C PRO A 347 -2.617 0.979 9.659 1.00 0.00 C ATOM 604 O PRO A 347 -1.621 0.596 9.077 1.00 0.00 O ATOM 605 CB PRO A 347 -4.689 1.126 8.237 1.00 0.00 C ATOM 606 CG PRO A 347 -5.064 1.981 7.072 1.00 0.00 C ATOM 607 CD PRO A 347 -3.811 2.767 6.689 1.00 0.00 C ATOM 0 HA PRO A 347 -4.023 2.530 9.797 1.00 0.00 H new ATOM 0 HB2 PRO A 347 -4.303 0.161 7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 347 -5.551 0.926 8.873 1.00 0.00 H new ATOM 0 HG2 PRO A 347 -5.409 1.370 6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -5.880 2.655 7.332 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -3.282 2.296 5.860 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -4.057 3.781 6.375 1.00 0.00 H new ATOM 615 N LYS A 348 -2.865 0.622 10.892 1.00 0.00 N ATOM 616 CA LYS A 348 -1.926 -0.270 11.630 1.00 0.00 C ATOM 617 C LYS A 348 -2.071 -1.730 11.182 1.00 0.00 C ATOM 618 O LYS A 348 -1.824 -2.641 11.948 1.00 0.00 O ATOM 619 CB LYS A 348 -2.225 -0.168 13.127 1.00 0.00 C ATOM 620 CG LYS A 348 -3.596 -0.781 13.423 1.00 0.00 C ATOM 621 CD LYS A 348 -3.951 -0.548 14.894 1.00 0.00 C ATOM 622 CE LYS A 348 -5.159 -1.408 15.270 1.00 0.00 C ATOM 623 NZ LYS A 348 -6.070 -1.526 14.097 1.00 0.00 N ATOM 0 H LYS A 348 -3.686 0.914 11.423 1.00 0.00 H new ATOM 0 HA LYS A 348 -0.905 0.048 11.418 1.00 0.00 H new ATOM 0 HB2 LYS A 348 -1.454 -0.686 13.698 1.00 0.00 H new ATOM 0 HB3 LYS A 348 -2.207 0.876 13.441 1.00 0.00 H new ATOM 0 HG2 LYS A 348 -4.353 -0.333 12.779 1.00 0.00 H new ATOM 0 HG3 LYS A 348 -3.584 -1.849 13.205 1.00 0.00 H new ATOM 0 HD2 LYS A 348 -3.101 -0.799 15.528 1.00 0.00 H new ATOM 0 HD3 LYS A 348 -4.175 0.505 15.063 1.00 0.00 H new ATOM 0 HE2 LYS A 348 -4.830 -2.397 15.589 1.00 0.00 H new ATOM 0 HE3 LYS A 348 -5.689 -0.962 16.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 -6.989 -1.900 14.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 -6.205 -0.589 13.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -5.653 -2.172 13.397 1.00 0.00 H new ATOM 637 N GLY A 349 -2.453 -1.969 9.957 1.00 0.00 N ATOM 638 CA GLY A 349 -2.586 -3.379 9.485 1.00 0.00 C ATOM 639 C GLY A 349 -4.058 -3.804 9.469 1.00 0.00 C ATOM 640 O GLY A 349 -4.382 -4.908 9.081 1.00 0.00 O ATOM 0 H GLY A 349 -2.678 -1.254 9.265 1.00 0.00 H new ATOM 0 HA2 GLY A 349 -2.163 -3.475 8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 349 -2.017 -4.042 10.137 1.00 0.00 H new ATOM 644 N ASP A 350 -4.951 -2.945 9.885 1.00 0.00 N ATOM 645 CA ASP A 350 -6.396 -3.314 9.890 1.00 0.00 C ATOM 646 C ASP A 350 -7.132 -2.520 8.809 1.00 0.00 C ATOM 647 O ASP A 350 -7.940 -1.661 9.099 1.00 0.00 O ATOM 648 CB ASP A 350 -7.000 -2.989 11.258 1.00 0.00 C ATOM 649 CG ASP A 350 -8.442 -3.493 11.312 1.00 0.00 C ATOM 650 OD1 ASP A 350 -8.858 -4.142 10.366 1.00 0.00 O ATOM 651 OD2 ASP A 350 -9.106 -3.224 12.300 1.00 0.00 O ATOM 0 H ASP A 350 -4.742 -2.005 10.221 1.00 0.00 H new ATOM 0 HA ASP A 350 -6.498 -4.381 9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -6.411 -3.456 12.048 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -6.973 -1.913 11.433 1.00 0.00 H new ATOM 656 N TRP A 351 -6.856 -2.800 7.566 1.00 0.00 N ATOM 657 CA TRP A 351 -7.538 -2.058 6.468 1.00 0.00 C ATOM 658 C TRP A 351 -7.453 -2.855 5.170 1.00 0.00 C ATOM 659 O TRP A 351 -6.619 -3.726 5.013 1.00 0.00 O ATOM 660 CB TRP A 351 -6.854 -0.709 6.282 1.00 0.00 C ATOM 661 CG TRP A 351 -6.960 -0.257 4.858 1.00 0.00 C ATOM 662 CD1 TRP A 351 -7.940 0.526 4.355 1.00 0.00 C ATOM 663 CD2 TRP A 351 -6.054 -0.533 3.754 1.00 0.00 C ATOM 664 NE1 TRP A 351 -7.688 0.750 3.010 1.00 0.00 N ATOM 665 CE2 TRP A 351 -6.534 0.115 2.595 1.00 0.00 C ATOM 666 CE3 TRP A 351 -4.872 -1.277 3.652 1.00 0.00 C ATOM 667 CZ2 TRP A 351 -5.854 0.026 1.375 1.00 0.00 C ATOM 668 CZ3 TRP A 351 -4.190 -1.368 2.432 1.00 0.00 C ATOM 669 CH2 TRP A 351 -4.678 -0.717 1.297 1.00 0.00 C ATOM 0 H TRP A 351 -6.189 -3.509 7.263 1.00 0.00 H new ATOM 0 HA TRP A 351 -8.587 -1.911 6.725 1.00 0.00 H new ATOM 0 HB2 TRP A 351 -7.311 0.031 6.939 1.00 0.00 H new ATOM 0 HB3 TRP A 351 -5.805 -0.784 6.568 1.00 0.00 H new ATOM 0 HD1 TRP A 351 -8.782 0.914 4.910 1.00 0.00 H new ATOM 0 HE1 TRP A 351 -8.282 1.314 2.402 1.00 0.00 H new ATOM 0 HE3 TRP A 351 -4.483 -1.785 4.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 -6.238 0.530 0.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 -3.280 -1.946 2.369 1.00 0.00 H new ATOM 0 HH2 TRP A 351 -4.145 -0.789 0.361 1.00 0.00 H new ATOM 680 N ARG A 352 -8.306 -2.555 4.237 1.00 0.00 N ATOM 681 CA ARG A 352 -8.286 -3.275 2.943 1.00 0.00 C ATOM 682 C ARG A 352 -8.467 -2.265 1.808 1.00 0.00 C ATOM 683 O ARG A 352 -8.927 -1.160 2.015 1.00 0.00 O ATOM 684 CB ARG A 352 -9.417 -4.300 2.913 1.00 0.00 C ATOM 685 CG ARG A 352 -9.215 -5.317 4.036 1.00 0.00 C ATOM 686 CD ARG A 352 -10.279 -6.408 3.926 1.00 0.00 C ATOM 687 NE ARG A 352 -9.990 -7.270 2.747 1.00 0.00 N ATOM 688 CZ ARG A 352 -10.834 -8.200 2.395 1.00 0.00 C ATOM 689 NH1 ARG A 352 -11.932 -8.377 3.079 1.00 0.00 N ATOM 690 NH2 ARG A 352 -10.579 -8.955 1.362 1.00 0.00 N ATOM 0 H ARG A 352 -9.023 -1.834 4.318 1.00 0.00 H new ATOM 0 HA ARG A 352 -7.335 -3.793 2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 352 -10.378 -3.800 3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 352 -9.437 -4.807 1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 352 -8.219 -5.756 3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 352 -9.282 -4.824 5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 352 -10.293 -7.010 4.835 1.00 0.00 H new ATOM 0 HD3 ARG A 352 -11.267 -5.958 3.827 1.00 0.00 H new ATOM 0 HE ARG A 352 -9.131 -7.133 2.214 1.00 0.00 H new ATOM 0 HH11 ARG A 352 -12.129 -7.788 3.888 1.00 0.00 H new ATOM 0 HH12 ARG A 352 -12.592 -9.104 2.804 1.00 0.00 H new ATOM 0 HH21 ARG A 352 -9.720 -8.818 0.830 1.00 0.00 H new ATOM 0 HH22 ARG A 352 -11.239 -9.682 1.087 1.00 0.00 H new ATOM 704 N CYS A 353 -8.101 -2.632 0.613 1.00 0.00 N ATOM 705 CA CYS A 353 -8.242 -1.697 -0.537 1.00 0.00 C ATOM 706 C CYS A 353 -9.687 -1.748 -1.059 1.00 0.00 C ATOM 707 O CYS A 353 -10.475 -2.546 -0.601 1.00 0.00 O ATOM 708 CB CYS A 353 -7.276 -2.147 -1.624 1.00 0.00 C ATOM 709 SG CYS A 353 -7.986 -3.578 -2.465 1.00 0.00 S ATOM 0 H CYS A 353 -7.708 -3.544 0.382 1.00 0.00 H new ATOM 0 HA CYS A 353 -8.017 -0.674 -0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 353 -7.101 -1.339 -2.334 1.00 0.00 H new ATOM 0 HB3 CYS A 353 -6.310 -2.404 -1.190 1.00 0.00 H new ATOM 714 N PRO A 354 -10.055 -0.907 -2.003 1.00 0.00 N ATOM 715 CA PRO A 354 -11.444 -0.899 -2.553 1.00 0.00 C ATOM 716 C PRO A 354 -11.784 -2.216 -3.252 1.00 0.00 C ATOM 717 O PRO A 354 -12.905 -2.684 -3.211 1.00 0.00 O ATOM 718 CB PRO A 354 -11.454 0.269 -3.548 1.00 0.00 C ATOM 719 CG PRO A 354 -10.254 1.091 -3.206 1.00 0.00 C ATOM 720 CD PRO A 354 -9.222 0.112 -2.661 1.00 0.00 C ATOM 0 HA PRO A 354 -12.191 -0.787 -1.767 1.00 0.00 H new ATOM 0 HB2 PRO A 354 -11.404 -0.090 -4.576 1.00 0.00 H new ATOM 0 HB3 PRO A 354 -12.369 0.854 -3.458 1.00 0.00 H new ATOM 0 HG2 PRO A 354 -9.873 1.612 -4.085 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -10.500 1.853 -2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 354 -8.611 -0.316 -3.456 1.00 0.00 H new ATOM 0 HD3 PRO A 354 -8.540 0.592 -1.959 1.00 0.00 H new ATOM 728 N LYS A 355 -10.818 -2.822 -3.886 1.00 0.00 N ATOM 729 CA LYS A 355 -11.078 -4.113 -4.581 1.00 0.00 C ATOM 730 C LYS A 355 -11.556 -5.142 -3.558 1.00 0.00 C ATOM 731 O LYS A 355 -12.406 -5.962 -3.838 1.00 0.00 O ATOM 732 CB LYS A 355 -9.793 -4.605 -5.244 1.00 0.00 C ATOM 733 CG LYS A 355 -10.094 -5.848 -6.084 1.00 0.00 C ATOM 734 CD LYS A 355 -8.799 -6.367 -6.715 1.00 0.00 C ATOM 735 CE LYS A 355 -9.120 -7.522 -7.665 1.00 0.00 C ATOM 736 NZ LYS A 355 -7.849 -8.123 -8.161 1.00 0.00 N ATOM 0 H LYS A 355 -9.860 -2.478 -3.952 1.00 0.00 H new ATOM 0 HA LYS A 355 -11.843 -3.973 -5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 355 -9.373 -3.821 -5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 355 -9.046 -4.838 -4.485 1.00 0.00 H new ATOM 0 HG2 LYS A 355 -10.542 -6.621 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 355 -10.818 -5.607 -6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 355 -8.299 -5.564 -7.257 1.00 0.00 H new ATOM 0 HD3 LYS A 355 -8.112 -6.702 -5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 355 -9.715 -8.276 -7.150 1.00 0.00 H new ATOM 0 HE3 LYS A 355 -9.717 -7.163 -8.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 -8.065 -8.909 -8.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 -7.298 -7.401 -8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 -7.296 -8.480 -7.356 1.00 0.00 H new ATOM 750 N CYS A 356 -11.016 -5.098 -2.370 1.00 0.00 N ATOM 751 CA CYS A 356 -11.434 -6.067 -1.318 1.00 0.00 C ATOM 752 C CYS A 356 -12.939 -5.948 -1.080 1.00 0.00 C ATOM 753 O CYS A 356 -13.646 -6.930 -0.976 1.00 0.00 O ATOM 754 CB CYS A 356 -10.704 -5.740 -0.014 1.00 0.00 C ATOM 755 SG CYS A 356 -9.042 -6.462 -0.024 1.00 0.00 S ATOM 0 H CYS A 356 -10.301 -4.430 -2.082 1.00 0.00 H new ATOM 0 HA CYS A 356 -11.190 -7.079 -1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 356 -10.637 -4.659 0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 356 -11.270 -6.126 0.834 1.00 0.00 H new ATOM 760 N LEU A 357 -13.429 -4.749 -0.984 1.00 0.00 N ATOM 761 CA LEU A 357 -14.885 -4.543 -0.748 1.00 0.00 C ATOM 762 C LEU A 357 -15.678 -4.912 -2.003 1.00 0.00 C ATOM 763 O LEU A 357 -16.813 -5.339 -1.928 1.00 0.00 O ATOM 764 CB LEU A 357 -15.135 -3.077 -0.416 1.00 0.00 C ATOM 765 CG LEU A 357 -14.333 -2.681 0.827 1.00 0.00 C ATOM 766 CD1 LEU A 357 -14.632 -1.225 1.184 1.00 0.00 C ATOM 767 CD2 LEU A 357 -14.728 -3.580 2.000 1.00 0.00 C ATOM 0 H LEU A 357 -12.880 -3.893 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 357 -15.206 -5.176 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 357 -14.848 -2.450 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 357 -16.198 -2.910 -0.242 1.00 0.00 H new ATOM 0 HG LEU A 357 -13.269 -2.797 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -14.061 -0.943 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 357 -14.351 -0.581 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -15.697 -1.112 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -14.156 -3.297 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -15.793 -3.465 2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 357 -14.517 -4.619 1.749 1.00 0.00 H new ATOM 779 N ALA A 358 -15.095 -4.737 -3.155 1.00 0.00 N ATOM 780 CA ALA A 358 -15.823 -5.062 -4.414 1.00 0.00 C ATOM 781 C ALA A 358 -16.179 -6.546 -4.420 1.00 0.00 C ATOM 782 O ALA A 358 -17.103 -6.975 -5.082 1.00 0.00 O ATOM 783 CB ALA A 358 -14.929 -4.742 -5.613 1.00 0.00 C ATOM 0 H ALA A 358 -14.147 -4.383 -3.280 1.00 0.00 H new ATOM 0 HA ALA A 358 -16.736 -4.470 -4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 358 -15.459 -4.979 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 358 -14.673 -3.683 -5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 358 -14.017 -5.336 -5.556 1.00 0.00 H new ATOM 789 N GLN A 359 -15.443 -7.329 -3.689 1.00 0.00 N ATOM 790 CA GLN A 359 -15.714 -8.788 -3.639 1.00 0.00 C ATOM 791 C GLN A 359 -17.116 -9.010 -3.079 1.00 0.00 C ATOM 792 O GLN A 359 -17.839 -9.892 -3.500 1.00 0.00 O ATOM 793 CB GLN A 359 -14.691 -9.433 -2.712 1.00 0.00 C ATOM 794 CG GLN A 359 -13.302 -8.970 -3.134 1.00 0.00 C ATOM 795 CD GLN A 359 -12.237 -9.680 -2.302 1.00 0.00 C ATOM 796 OE1 GLN A 359 -12.530 -10.618 -1.587 1.00 0.00 O ATOM 797 NE2 GLN A 359 -11.005 -9.262 -2.364 1.00 0.00 N ATOM 0 H GLN A 359 -14.657 -7.017 -3.118 1.00 0.00 H new ATOM 0 HA GLN A 359 -15.645 -9.226 -4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 359 -14.886 -9.152 -1.677 1.00 0.00 H new ATOM 0 HB3 GLN A 359 -14.762 -10.519 -2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 359 -13.147 -9.179 -4.192 1.00 0.00 H new ATOM 0 HG3 GLN A 359 -13.215 -7.891 -3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 359 -10.763 -8.474 -2.965 1.00 0.00 H new ATOM 0 HE22 GLN A 359 -10.282 -9.722 -1.811 1.00 0.00 H new ATOM 806 N GLU A 360 -17.497 -8.210 -2.127 1.00 0.00 N ATOM 807 CA GLU A 360 -18.851 -8.354 -1.523 1.00 0.00 C ATOM 808 C GLU A 360 -19.916 -8.141 -2.600 1.00 0.00 C ATOM 809 O GLU A 360 -19.547 -7.784 -3.706 1.00 0.00 O ATOM 810 CB GLU A 360 -19.029 -7.311 -0.416 1.00 0.00 C ATOM 811 CG GLU A 360 -18.005 -7.563 0.693 1.00 0.00 C ATOM 812 CD GLU A 360 -18.228 -6.562 1.829 1.00 0.00 C ATOM 813 OE1 GLU A 360 -19.007 -5.644 1.639 1.00 0.00 O ATOM 814 OE2 GLU A 360 -17.615 -6.732 2.870 1.00 0.00 O ATOM 815 OXT GLU A 360 -21.081 -8.339 -2.301 1.00 0.00 O ATOM 0 H GLU A 360 -16.928 -7.458 -1.738 1.00 0.00 H new ATOM 0 HA GLU A 360 -18.956 -9.354 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -18.901 -6.308 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -20.040 -7.364 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -18.102 -8.582 1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -16.994 -7.463 0.299 1.00 0.00 H new TER 822 GLU A 360 ATOM 823 N ALA B 363 -3.477 -1.926 7.374 1.00 0.00 N ATOM 824 CA ALA B 363 -2.502 -1.781 6.260 1.00 0.00 C ATOM 825 C ALA B 363 -1.088 -1.911 6.806 1.00 0.00 C ATOM 826 O ALA B 363 -0.814 -1.565 7.939 1.00 0.00 O ATOM 827 CB ALA B 363 -2.662 -0.409 5.600 1.00 0.00 C ATOM 0 HA ALA B 363 -2.687 -2.560 5.521 1.00 0.00 H new ATOM 0 HB1 ALA B 363 -1.944 -0.311 4.785 1.00 0.00 H new ATOM 0 HB2 ALA B 363 -3.674 -0.310 5.206 1.00 0.00 H new ATOM 0 HB3 ALA B 363 -2.482 0.373 6.338 1.00 0.00 H new ATOM 835 N ARG B 364 -0.185 -2.402 6.006 1.00 0.00 N ATOM 836 CA ARG B 364 1.219 -2.555 6.471 1.00 0.00 C ATOM 837 C ARG B 364 2.113 -1.598 5.679 1.00 0.00 C ATOM 838 O ARG B 364 1.988 -1.464 4.479 1.00 0.00 O ATOM 839 CB ARG B 364 1.649 -4.007 6.257 1.00 0.00 C ATOM 840 CG ARG B 364 0.891 -4.895 7.246 1.00 0.00 C ATOM 841 CD ARG B 364 0.865 -6.333 6.732 1.00 0.00 C ATOM 842 NE ARG B 364 2.244 -6.897 6.745 1.00 0.00 N ATOM 843 CZ ARG B 364 2.558 -7.872 5.937 1.00 0.00 C ATOM 844 NH1 ARG B 364 1.664 -8.355 5.117 1.00 0.00 N ATOM 845 NH2 ARG B 364 3.767 -8.366 5.949 1.00 0.00 N ATOM 0 H ARG B 364 -0.360 -2.705 5.048 1.00 0.00 H new ATOM 0 HA ARG B 364 1.305 -2.313 7.530 1.00 0.00 H new ATOM 0 HB2 ARG B 364 1.438 -4.316 5.233 1.00 0.00 H new ATOM 0 HB3 ARG B 364 2.724 -4.108 6.406 1.00 0.00 H new ATOM 0 HG2 ARG B 364 1.370 -4.857 8.224 1.00 0.00 H new ATOM 0 HG3 ARG B 364 -0.127 -4.526 7.375 1.00 0.00 H new ATOM 0 HD2 ARG B 364 0.208 -6.940 7.355 1.00 0.00 H new ATOM 0 HD3 ARG B 364 0.460 -6.360 5.720 1.00 0.00 H new ATOM 0 HE ARG B 364 2.943 -6.521 7.386 1.00 0.00 H new ATOM 0 HH11 ARG B 364 0.719 -7.970 5.108 1.00 0.00 H new ATOM 0 HH12 ARG B 364 1.910 -9.117 4.486 1.00 0.00 H new ATOM 0 HH21 ARG B 364 4.465 -7.990 6.590 1.00 0.00 H new ATOM 0 HH22 ARG B 364 4.013 -9.128 5.317 1.00 0.00 H new ATOM 859 N THR B 365 2.995 -0.912 6.353 1.00 0.00 N ATOM 860 CA THR B 365 3.881 0.064 5.656 1.00 0.00 C ATOM 861 C THR B 365 4.965 -0.664 4.864 1.00 0.00 C ATOM 862 O THR B 365 5.550 -1.624 5.323 1.00 0.00 O ATOM 863 CB THR B 365 4.542 0.976 6.695 1.00 0.00 C ATOM 864 OG1 THR B 365 3.692 2.085 6.957 1.00 0.00 O ATOM 865 CG2 THR B 365 5.890 1.474 6.169 1.00 0.00 C ATOM 0 H THR B 365 3.141 -0.985 7.360 1.00 0.00 H new ATOM 0 HA THR B 365 3.279 0.654 4.966 1.00 0.00 H new ATOM 0 HB THR B 365 4.705 0.415 7.615 1.00 0.00 H new ATOM 0 HG1 THR B 365 4.112 2.669 7.623 1.00 0.00 H new ATOM 0 HG21 THR B 365 6.354 2.122 6.913 1.00 0.00 H new ATOM 0 HG22 THR B 365 6.541 0.622 5.973 1.00 0.00 H new ATOM 0 HG23 THR B 365 5.736 2.033 5.246 1.00 0.00 H new ATOM 873 N LYS B 366 5.242 -0.195 3.676 1.00 0.00 N ATOM 874 CA LYS B 366 6.299 -0.833 2.846 1.00 0.00 C ATOM 875 C LYS B 366 7.243 0.255 2.329 1.00 0.00 C ATOM 876 O LYS B 366 6.812 1.309 1.885 1.00 0.00 O ATOM 877 CB LYS B 366 5.658 -1.565 1.661 1.00 0.00 C ATOM 878 CG LYS B 366 6.261 -2.965 1.535 1.00 0.00 C ATOM 879 CD LYS B 366 5.604 -3.896 2.557 1.00 0.00 C ATOM 880 CE LYS B 366 6.354 -5.227 2.594 1.00 0.00 C ATOM 881 NZ LYS B 366 7.320 -5.218 3.729 1.00 0.00 N ATOM 0 H LYS B 366 4.779 0.605 3.246 1.00 0.00 H new ATOM 0 HA LYS B 366 6.855 -1.553 3.447 1.00 0.00 H new ATOM 0 HB2 LYS B 366 4.580 -1.634 1.804 1.00 0.00 H new ATOM 0 HB3 LYS B 366 5.823 -1.003 0.742 1.00 0.00 H new ATOM 0 HG2 LYS B 366 6.109 -3.349 0.526 1.00 0.00 H new ATOM 0 HG3 LYS B 366 7.337 -2.926 1.702 1.00 0.00 H new ATOM 0 HD2 LYS B 366 5.614 -3.434 3.544 1.00 0.00 H new ATOM 0 HD3 LYS B 366 4.560 -4.063 2.294 1.00 0.00 H new ATOM 0 HE2 LYS B 366 5.650 -6.051 2.708 1.00 0.00 H new ATOM 0 HE3 LYS B 366 6.882 -5.386 1.654 1.00 0.00 H new ATOM 0 HZ1 LYS B 366 8.289 -5.142 3.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 366 7.121 -4.406 4.348 1.00 0.00 H new ATOM 0 HZ3 LYS B 366 7.225 -6.099 4.273 1.00 0.00 H new ATOM 895 N GLN B 367 8.526 0.009 2.396 1.00 0.00 N ATOM 896 CA GLN B 367 9.517 1.019 1.923 1.00 0.00 C ATOM 897 C GLN B 367 10.240 0.471 0.692 1.00 0.00 C ATOM 898 O GLN B 367 10.533 -0.705 0.614 1.00 0.00 O ATOM 899 CB GLN B 367 10.552 1.271 3.026 1.00 0.00 C ATOM 900 CG GLN B 367 9.877 1.221 4.400 1.00 0.00 C ATOM 901 CD GLN B 367 10.181 -0.124 5.065 1.00 0.00 C ATOM 902 OE1 GLN B 367 11.323 -0.439 5.329 1.00 0.00 O ATOM 903 NE2 GLN B 367 9.197 -0.935 5.349 1.00 0.00 N ATOM 0 H GLN B 367 8.931 -0.853 2.760 1.00 0.00 H new ATOM 0 HA GLN B 367 9.002 1.947 1.676 1.00 0.00 H new ATOM 0 HB2 GLN B 367 11.342 0.522 2.973 1.00 0.00 H new ATOM 0 HB3 GLN B 367 11.023 2.243 2.879 1.00 0.00 H new ATOM 0 HG2 GLN B 367 10.237 2.038 5.025 1.00 0.00 H new ATOM 0 HG3 GLN B 367 8.800 1.352 4.294 1.00 0.00 H new ATOM 0 HE21 GLN B 367 8.237 -0.670 5.127 1.00 0.00 H new ATOM 0 HE22 GLN B 367 9.388 -1.833 5.793 1.00 0.00 H new ATOM 912 N THR B 368 10.538 1.307 -0.268 1.00 0.00 N ATOM 913 CA THR B 368 11.252 0.805 -1.481 1.00 0.00 C ATOM 914 C THR B 368 12.351 1.789 -1.889 1.00 0.00 C ATOM 915 O THR B 368 12.123 2.977 -2.017 1.00 0.00 O ATOM 916 CB THR B 368 10.258 0.645 -2.629 1.00 0.00 C ATOM 917 OG1 THR B 368 9.184 -0.187 -2.213 1.00 0.00 O ATOM 918 CG2 THR B 368 10.961 0.013 -3.831 1.00 0.00 C ATOM 0 H THR B 368 10.322 2.304 -0.267 1.00 0.00 H new ATOM 0 HA THR B 368 11.705 -0.160 -1.253 1.00 0.00 H new ATOM 0 HB THR B 368 9.870 1.623 -2.912 1.00 0.00 H new ATOM 0 HG1 THR B 368 8.459 0.368 -1.858 1.00 0.00 H new ATOM 0 HG21 THR B 368 10.250 -0.101 -4.650 1.00 0.00 H new ATOM 0 HG22 THR B 368 11.783 0.654 -4.150 1.00 0.00 H new ATOM 0 HG23 THR B 368 11.352 -0.965 -3.551 1.00 0.00 H new ATOM 926 N ALA B 369 13.541 1.299 -2.106 1.00 0.00 N ATOM 927 CA ALA B 369 14.658 2.196 -2.511 1.00 0.00 C ATOM 928 C ALA B 369 15.960 1.393 -2.548 1.00 0.00 C ATOM 929 O ALA B 369 16.896 1.737 -3.244 1.00 0.00 O ATOM 930 CB ALA B 369 14.790 3.338 -1.502 1.00 0.00 C ATOM 0 H ALA B 369 13.787 0.313 -2.020 1.00 0.00 H new ATOM 0 HA ALA B 369 14.455 2.610 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA B 369 15.608 3.994 -1.800 1.00 0.00 H new ATOM 0 HB2 ALA B 369 13.861 3.907 -1.473 1.00 0.00 H new ATOM 0 HB3 ALA B 369 14.995 2.928 -0.513 1.00 0.00 H new ATOM 936 N ARG B 370 16.027 0.322 -1.805 1.00 0.00 N ATOM 937 CA ARG B 370 17.264 -0.506 -1.795 1.00 0.00 C ATOM 938 C ARG B 370 17.598 -0.943 -3.223 1.00 0.00 C ATOM 939 O ARG B 370 18.746 -0.988 -3.617 1.00 0.00 O ATOM 940 CB ARG B 370 17.040 -1.743 -0.922 1.00 0.00 C ATOM 941 CG ARG B 370 18.342 -2.539 -0.813 1.00 0.00 C ATOM 942 CD ARG B 370 18.098 -3.808 0.005 1.00 0.00 C ATOM 943 NE ARG B 370 19.391 -4.516 0.224 1.00 0.00 N ATOM 944 CZ ARG B 370 19.470 -5.467 1.115 1.00 0.00 C ATOM 945 NH1 ARG B 370 18.418 -5.795 1.814 1.00 0.00 N ATOM 946 NH2 ARG B 370 20.601 -6.088 1.307 1.00 0.00 N ATOM 0 H ARG B 370 15.276 -0.015 -1.203 1.00 0.00 H new ATOM 0 HA ARG B 370 18.091 0.079 -1.393 1.00 0.00 H new ATOM 0 HB2 ARG B 370 16.701 -1.444 0.070 1.00 0.00 H new ATOM 0 HB3 ARG B 370 16.256 -2.366 -1.352 1.00 0.00 H new ATOM 0 HG2 ARG B 370 18.706 -2.799 -1.807 1.00 0.00 H new ATOM 0 HG3 ARG B 370 19.113 -1.931 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG B 370 17.644 -3.554 0.963 1.00 0.00 H new ATOM 0 HD3 ARG B 370 17.398 -4.461 -0.517 1.00 0.00 H new ATOM 0 HE ARG B 370 20.213 -4.258 -0.322 1.00 0.00 H new ATOM 0 HH11 ARG B 370 17.534 -5.308 1.664 1.00 0.00 H new ATOM 0 HH12 ARG B 370 18.480 -6.538 2.510 1.00 0.00 H new ATOM 0 HH21 ARG B 370 21.423 -5.831 0.761 1.00 0.00 H new ATOM 0 HH22 ARG B 370 20.663 -6.831 2.003 1.00 0.00 H new ATOM 960 N LYS B 371 16.601 -1.265 -4.001 1.00 0.00 N ATOM 961 CA LYS B 371 16.859 -1.700 -5.403 1.00 0.00 C ATOM 962 C LYS B 371 17.118 -0.472 -6.278 1.00 0.00 C ATOM 963 O LYS B 371 16.407 0.511 -6.212 1.00 0.00 O ATOM 964 CB LYS B 371 15.643 -2.459 -5.936 1.00 0.00 C ATOM 965 CG LYS B 371 15.984 -3.087 -7.287 1.00 0.00 C ATOM 966 CD LYS B 371 14.750 -3.796 -7.849 1.00 0.00 C ATOM 967 CE LYS B 371 15.131 -4.552 -9.124 1.00 0.00 C ATOM 968 NZ LYS B 371 16.393 -3.985 -9.678 1.00 0.00 N ATOM 0 H LYS B 371 15.619 -1.246 -3.726 1.00 0.00 H new ATOM 0 HA LYS B 371 17.731 -2.353 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS B 371 15.346 -3.233 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS B 371 14.796 -1.781 -6.042 1.00 0.00 H new ATOM 0 HG2 LYS B 371 16.322 -2.318 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS B 371 16.803 -3.797 -7.173 1.00 0.00 H new ATOM 0 HD2 LYS B 371 14.347 -4.488 -7.110 1.00 0.00 H new ATOM 0 HD3 LYS B 371 13.967 -3.069 -8.065 1.00 0.00 H new ATOM 0 HE2 LYS B 371 15.261 -5.612 -8.906 1.00 0.00 H new ATOM 0 HE3 LYS B 371 14.330 -4.473 -9.860 1.00 0.00 H new ATOM 0 HZ1 LYS B 371 16.563 -4.377 -10.626 1.00 0.00 H new ATOM 0 HZ2 LYS B 371 16.310 -2.950 -9.741 1.00 0.00 H new ATOM 0 HZ3 LYS B 371 17.188 -4.231 -9.054 1.00 0.00 H new ATOM 982 N SER B 372 18.131 -0.519 -7.098 1.00 0.00 N ATOM 983 CA SER B 372 18.434 0.646 -7.978 1.00 0.00 C ATOM 984 C SER B 372 17.135 1.179 -8.583 1.00 0.00 C ATOM 985 O SER B 372 16.649 2.188 -8.100 1.00 0.00 O ATOM 986 CB SER B 372 19.377 0.207 -9.098 1.00 0.00 C ATOM 987 OG SER B 372 20.538 -0.386 -8.531 1.00 0.00 O ATOM 988 OXT SER B 372 16.649 0.569 -9.522 1.00 0.00 O ATOM 0 H SER B 372 18.763 -1.314 -7.197 1.00 0.00 H new ATOM 0 HA SER B 372 18.910 1.431 -7.391 1.00 0.00 H new ATOM 0 HB2 SER B 372 18.875 -0.504 -9.754 1.00 0.00 H new ATOM 0 HB3 SER B 372 19.655 1.064 -9.711 1.00 0.00 H new ATOM 0 HG SER B 372 21.143 -0.670 -9.247 1.00 0.00 H new TER 994 SER B 372 HETATM 995 ZN ZN A 401 1.575 5.433 -5.748 1.00 0.00 ZN HETATM 996 ZN ZN A 402 -7.465 -5.587 -1.460 1.00 0.00 ZN