USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 430 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 437 SER OG : rot 180:sc= -4.1! USER MOD Set 2.1: A 427 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 428 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 390 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 402 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -1.49! C(o=-1.5!,f=-5.3!) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= 1.46 K(o=1.5,f=-7!) USER MOD Single : A 400 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.01) USER MOD Single : A 401 ASN : amide:sc= 0.907 K(o=0.91,f=-4.8!) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -1.9! K(o=-1.9!,f=-0.98) USER MOD Single : A 410 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0331) USER MOD Single : A 411 SER OG : rot 180:sc= -1.81! USER MOD Single : A 417 HIS : no HD1:sc= -0.967 K(o=-0.97,f=0.23) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.64) USER MOD Single : A 432 MET CE :methyl -171:sc= 0 (180deg=-0.0983) USER MOD Single : A 434 ASN : amide:sc= -0.576 X(o=-0.58,f=-0.26) USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 140:sc= -1.78! (180deg=-4.87!) USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 15.060 -1.962 -4.006 1.00 0.00 N ATOM 21 CA ARG A 387 14.996 -1.742 -2.569 1.00 0.00 C ATOM 22 C ARG A 387 14.631 -0.295 -2.210 1.00 0.00 C ATOM 23 O ARG A 387 15.292 0.346 -1.389 1.00 0.00 O ATOM 24 CB ARG A 387 16.321 -2.147 -1.902 1.00 0.00 C ATOM 25 CG ARG A 387 17.544 -2.017 -2.790 1.00 0.00 C ATOM 26 CD ARG A 387 17.686 -0.623 -3.366 1.00 0.00 C ATOM 27 NE ARG A 387 18.018 0.377 -2.355 1.00 0.00 N ATOM 28 CZ ARG A 387 19.065 1.199 -2.445 1.00 0.00 C ATOM 29 NH1 ARG A 387 19.943 1.062 -3.433 1.00 0.00 N ATOM 30 NH2 ARG A 387 19.253 2.141 -1.532 1.00 0.00 N ATOM 0 HA ARG A 387 14.196 -2.375 -2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 387 16.467 -1.533 -1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 387 16.241 -3.181 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 387 18.437 -2.264 -2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 387 17.479 -2.740 -3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 387 18.461 -0.629 -4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 387 16.754 -0.341 -3.857 1.00 0.00 H new ATOM 0 HE ARG A 387 17.416 0.451 -1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 387 19.818 0.326 -4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 387 20.742 1.693 -3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 387 18.596 2.239 -0.758 1.00 0.00 H new ATOM 0 HH22 ARG A 387 20.054 2.768 -1.604 1.00 0.00 H new ATOM 44 N LYS A 388 13.569 0.190 -2.820 1.00 0.00 N ATOM 45 CA LYS A 388 13.035 1.508 -2.563 1.00 0.00 C ATOM 46 C LYS A 388 11.582 1.532 -2.987 1.00 0.00 C ATOM 47 O LYS A 388 11.188 0.846 -3.928 1.00 0.00 O ATOM 48 CB LYS A 388 13.828 2.564 -3.323 1.00 0.00 C ATOM 49 CG LYS A 388 13.384 4.005 -3.082 1.00 0.00 C ATOM 50 CD LYS A 388 12.383 4.463 -4.138 1.00 0.00 C ATOM 51 CE LYS A 388 13.010 4.481 -5.527 1.00 0.00 C ATOM 52 NZ LYS A 388 11.998 4.663 -6.600 1.00 0.00 N ATOM 0 H LYS A 388 13.044 -0.332 -3.521 1.00 0.00 H new ATOM 0 HA LYS A 388 13.113 1.734 -1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 388 14.879 2.473 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 388 13.757 2.352 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 388 12.935 4.088 -2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.254 4.662 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 388 11.519 3.798 -4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 388 12.019 5.460 -3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 388 13.743 5.286 -5.582 1.00 0.00 H new ATOM 0 HE3 LYS A 388 13.548 3.548 -5.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 12.471 4.669 -7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 11.312 3.882 -6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 11.501 5.566 -6.459 1.00 0.00 H new ATOM 66 N CYS A 389 10.813 2.345 -2.311 1.00 0.00 N ATOM 67 CA CYS A 389 9.370 2.364 -2.497 1.00 0.00 C ATOM 68 C CYS A 389 8.776 3.736 -2.218 1.00 0.00 C ATOM 69 O CYS A 389 8.956 4.307 -1.145 1.00 0.00 O ATOM 70 CB CYS A 389 8.708 1.320 -1.595 1.00 0.00 C ATOM 71 SG CYS A 389 8.855 -0.392 -2.203 1.00 0.00 S ATOM 0 H CYS A 389 11.157 3.011 -1.619 1.00 0.00 H new ATOM 0 HA CYS A 389 9.174 2.124 -3.542 1.00 0.00 H new ATOM 0 HB2 CYS A 389 9.152 1.380 -0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.652 1.566 -1.487 1.00 0.00 H new ATOM 76 N TYR A 390 8.089 4.267 -3.212 1.00 0.00 N ATOM 77 CA TYR A 390 7.276 5.457 -3.042 1.00 0.00 C ATOM 78 C TYR A 390 5.826 5.038 -2.841 1.00 0.00 C ATOM 79 O TYR A 390 5.334 4.156 -3.544 1.00 0.00 O ATOM 80 CB TYR A 390 7.409 6.368 -4.270 1.00 0.00 C ATOM 81 CG TYR A 390 6.387 7.483 -4.325 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.565 8.658 -3.604 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.239 7.354 -5.097 1.00 0.00 C ATOM 84 CE1 TYR A 390 5.624 9.670 -3.652 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.298 8.362 -5.151 1.00 0.00 C ATOM 86 CZ TYR A 390 4.494 9.516 -4.426 1.00 0.00 C ATOM 87 OH TYR A 390 3.551 10.516 -4.471 1.00 0.00 O ATOM 0 H TYR A 390 8.079 3.887 -4.158 1.00 0.00 H new ATOM 0 HA TYR A 390 7.615 6.015 -2.169 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.408 6.804 -4.279 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.318 5.761 -5.171 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.450 8.782 -2.998 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.080 6.449 -5.665 1.00 0.00 H new ATOM 0 HE1 TYR A 390 5.774 10.577 -3.085 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.413 8.246 -5.759 1.00 0.00 H new ATOM 0 HH TYR A 390 2.818 10.248 -5.064 1.00 0.00 H new ATOM 97 N PHE A 391 5.153 5.638 -1.870 1.00 0.00 N ATOM 98 CA PHE A 391 3.753 5.324 -1.621 1.00 0.00 C ATOM 99 C PHE A 391 2.861 6.122 -2.572 1.00 0.00 C ATOM 100 O PHE A 391 2.772 7.351 -2.473 1.00 0.00 O ATOM 101 CB PHE A 391 3.385 5.621 -0.163 1.00 0.00 C ATOM 102 CG PHE A 391 2.052 5.065 0.257 1.00 0.00 C ATOM 103 CD1 PHE A 391 0.889 5.799 0.089 1.00 0.00 C ATOM 104 CD2 PHE A 391 1.966 3.804 0.827 1.00 0.00 C ATOM 105 CE1 PHE A 391 -0.334 5.290 0.480 1.00 0.00 C ATOM 106 CE2 PHE A 391 0.746 3.288 1.220 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.405 4.032 1.046 1.00 0.00 C ATOM 0 H PHE A 391 5.550 6.340 -1.245 1.00 0.00 H new ATOM 0 HA PHE A 391 3.596 4.261 -1.802 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.159 5.212 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.380 6.701 -0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.939 6.783 -0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 391 2.863 3.218 0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -1.232 5.874 0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 391 0.692 2.304 1.663 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.360 3.630 1.352 1.00 0.00 H new ATOM 117 N PRO A 392 2.195 5.421 -3.504 1.00 0.00 N ATOM 118 CA PRO A 392 1.379 6.041 -4.559 1.00 0.00 C ATOM 119 C PRO A 392 0.022 6.535 -4.066 1.00 0.00 C ATOM 120 O PRO A 392 -0.222 6.658 -2.866 1.00 0.00 O ATOM 121 CB PRO A 392 1.189 4.893 -5.550 1.00 0.00 C ATOM 122 CG PRO A 392 1.202 3.672 -4.704 1.00 0.00 C ATOM 123 CD PRO A 392 2.189 3.949 -3.602 1.00 0.00 C ATOM 0 HA PRO A 392 1.859 6.929 -4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.250 4.989 -6.095 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.987 4.872 -6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.211 3.466 -4.299 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.498 2.798 -5.284 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.883 3.486 -2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.178 3.559 -3.842 1.00 0.00 H new ATOM 131 N TYR A 393 -0.847 6.833 -5.018 1.00 0.00 N ATOM 132 CA TYR A 393 -2.174 7.337 -4.725 1.00 0.00 C ATOM 133 C TYR A 393 -3.237 6.312 -5.110 1.00 0.00 C ATOM 134 O TYR A 393 -3.366 5.938 -6.278 1.00 0.00 O ATOM 135 CB TYR A 393 -2.404 8.653 -5.474 1.00 0.00 C ATOM 136 CG TYR A 393 -3.833 9.158 -5.427 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.340 9.767 -4.286 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.676 9.022 -6.526 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.644 10.224 -4.241 1.00 0.00 C ATOM 140 CE2 TYR A 393 -5.979 9.477 -6.488 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.459 10.076 -5.345 1.00 0.00 C ATOM 142 OH TYR A 393 -7.761 10.530 -5.303 1.00 0.00 O ATOM 0 H TYR A 393 -0.650 6.732 -6.014 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.252 7.519 -3.653 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.748 9.416 -5.054 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.112 8.520 -6.516 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.705 9.885 -3.420 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.304 8.552 -7.425 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.023 10.695 -3.346 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.619 9.364 -7.351 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.198 10.350 -6.161 1.00 0.00 H new ATOM 152 N LEU A 394 -3.972 5.849 -4.114 1.00 0.00 N ATOM 153 CA LEU A 394 -5.091 4.946 -4.329 1.00 0.00 C ATOM 154 C LEU A 394 -6.374 5.760 -4.430 1.00 0.00 C ATOM 155 O LEU A 394 -6.610 6.660 -3.625 1.00 0.00 O ATOM 156 CB LEU A 394 -5.218 3.925 -3.182 1.00 0.00 C ATOM 157 CG LEU A 394 -4.075 2.912 -3.023 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.774 3.587 -2.611 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.463 1.861 -2.000 1.00 0.00 C ATOM 0 H LEU A 394 -3.811 6.087 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.917 4.394 -5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.315 4.476 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.146 3.370 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 394 -3.907 2.440 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -1.991 2.836 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.484 4.313 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.914 4.096 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.650 1.143 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.657 2.341 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.362 1.342 -2.334 1.00 0.00 H new ATOM 171 N GLU A 395 -7.192 5.450 -5.423 1.00 0.00 N ATOM 172 CA GLU A 395 -8.434 6.181 -5.648 1.00 0.00 C ATOM 173 C GLU A 395 -9.527 5.679 -4.717 1.00 0.00 C ATOM 174 O GLU A 395 -10.527 6.358 -4.484 1.00 0.00 O ATOM 175 CB GLU A 395 -8.894 6.006 -7.093 1.00 0.00 C ATOM 176 CG GLU A 395 -7.827 6.330 -8.121 1.00 0.00 C ATOM 177 CD GLU A 395 -8.287 6.039 -9.532 1.00 0.00 C ATOM 178 OE1 GLU A 395 -8.926 6.920 -10.144 1.00 0.00 O ATOM 179 OE2 GLU A 395 -8.022 4.924 -10.029 1.00 0.00 O ATOM 0 H GLU A 395 -7.020 4.696 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.246 7.236 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -9.223 4.977 -7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.760 6.645 -7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -7.554 7.382 -8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -6.930 5.750 -7.906 1.00 0.00 H new ATOM 186 N ASN A 396 -9.322 4.483 -4.192 1.00 0.00 N ATOM 187 CA ASN A 396 -10.328 3.807 -3.387 1.00 0.00 C ATOM 188 C ASN A 396 -9.817 3.531 -1.975 1.00 0.00 C ATOM 189 O ASN A 396 -10.276 2.605 -1.302 1.00 0.00 O ATOM 190 CB ASN A 396 -10.747 2.500 -4.073 1.00 0.00 C ATOM 191 CG ASN A 396 -9.565 1.717 -4.627 1.00 0.00 C ATOM 192 OD1 ASN A 396 -8.456 1.768 -4.091 1.00 0.00 O ATOM 193 ND2 ASN A 396 -9.788 1.000 -5.718 1.00 0.00 N ATOM 0 H ASN A 396 -8.458 3.954 -4.310 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.195 4.461 -3.300 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -11.286 1.877 -3.359 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.439 2.727 -4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -9.029 0.467 -6.142 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -10.719 0.981 -6.134 1.00 0.00 H new ATOM 200 N GLY A 397 -8.883 4.353 -1.520 1.00 0.00 N ATOM 201 CA GLY A 397 -8.333 4.189 -0.190 1.00 0.00 C ATOM 202 C GLY A 397 -7.940 5.514 0.433 1.00 0.00 C ATOM 203 O GLY A 397 -7.853 6.525 -0.259 1.00 0.00 O ATOM 0 H GLY A 397 -8.495 5.133 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.066 3.693 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.460 3.538 -0.237 1.00 0.00 H new ATOM 207 N TYR A 398 -7.722 5.508 1.741 1.00 0.00 N ATOM 208 CA TYR A 398 -7.262 6.689 2.457 1.00 0.00 C ATOM 209 C TYR A 398 -5.742 6.750 2.407 1.00 0.00 C ATOM 210 O TYR A 398 -5.061 5.986 3.098 1.00 0.00 O ATOM 211 CB TYR A 398 -7.711 6.653 3.922 1.00 0.00 C ATOM 212 CG TYR A 398 -9.207 6.545 4.135 1.00 0.00 C ATOM 213 CD1 TYR A 398 -10.018 7.669 4.091 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.800 5.321 4.410 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.380 7.575 4.310 1.00 0.00 C ATOM 216 CE2 TYR A 398 -11.159 5.214 4.625 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.945 6.342 4.579 1.00 0.00 C ATOM 218 OH TYR A 398 -13.299 6.236 4.802 1.00 0.00 O ATOM 0 H TYR A 398 -7.858 4.688 2.333 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.693 7.569 1.980 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.228 5.808 4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.354 7.556 4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.579 8.633 3.882 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.186 4.434 4.457 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.999 8.459 4.271 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.603 4.251 4.828 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.530 5.299 4.975 1.00 0.00 H new ATOM 228 N ASN A 399 -5.207 7.649 1.600 1.00 0.00 N ATOM 229 CA ASN A 399 -3.762 7.751 1.440 1.00 0.00 C ATOM 230 C ASN A 399 -3.169 8.595 2.551 1.00 0.00 C ATOM 231 O ASN A 399 -2.712 9.718 2.331 1.00 0.00 O ATOM 232 CB ASN A 399 -3.377 8.352 0.092 1.00 0.00 C ATOM 233 CG ASN A 399 -4.085 7.695 -1.069 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.587 6.733 -1.642 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.246 8.214 -1.430 1.00 0.00 N ATOM 0 H ASN A 399 -5.745 8.316 1.047 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.362 6.738 1.487 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.608 9.417 0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.300 8.260 -0.047 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.763 7.813 -2.213 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.625 9.015 -0.926 1.00 0.00 H new ATOM 242 N GLN A 400 -3.166 8.038 3.747 1.00 0.00 N ATOM 243 CA GLN A 400 -2.609 8.706 4.908 1.00 0.00 C ATOM 244 C GLN A 400 -1.083 8.643 4.884 1.00 0.00 C ATOM 245 O GLN A 400 -0.418 9.041 5.838 1.00 0.00 O ATOM 246 CB GLN A 400 -3.159 8.065 6.179 1.00 0.00 C ATOM 247 CG GLN A 400 -4.674 8.165 6.289 1.00 0.00 C ATOM 248 CD GLN A 400 -5.246 7.428 7.489 1.00 0.00 C ATOM 249 OE1 GLN A 400 -6.268 7.829 8.044 1.00 0.00 O ATOM 250 NE2 GLN A 400 -4.605 6.343 7.891 1.00 0.00 N ATOM 0 H GLN A 400 -3.548 7.113 3.941 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.899 9.756 4.889 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.867 7.015 6.205 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.705 8.544 7.046 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.957 9.216 6.350 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -5.123 7.766 5.380 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -3.760 6.041 7.406 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -4.956 5.809 8.686 1.00 0.00 H new ATOM 259 N ASN A 401 -0.539 8.143 3.778 1.00 0.00 N ATOM 260 CA ASN A 401 0.904 8.025 3.611 1.00 0.00 C ATOM 261 C ASN A 401 1.342 8.445 2.212 1.00 0.00 C ATOM 262 O ASN A 401 2.473 8.176 1.813 1.00 0.00 O ATOM 263 CB ASN A 401 1.365 6.586 3.874 1.00 0.00 C ATOM 264 CG ASN A 401 1.318 6.206 5.340 1.00 0.00 C ATOM 265 OD1 ASN A 401 2.283 6.413 6.074 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.205 5.635 5.772 1.00 0.00 N ATOM 0 H ASN A 401 -1.081 7.811 2.980 1.00 0.00 H new ATOM 0 HA ASN A 401 1.367 8.694 4.337 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.736 5.900 3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.384 6.464 3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 401 0.124 5.348 6.748 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -0.572 5.482 5.129 1.00 0.00 H new ATOM 273 N HIS A 402 0.454 9.104 1.467 1.00 0.00 N ATOM 274 CA HIS A 402 0.780 9.539 0.108 1.00 0.00 C ATOM 275 C HIS A 402 1.989 10.465 0.105 1.00 0.00 C ATOM 276 O HIS A 402 2.035 11.448 0.845 1.00 0.00 O ATOM 277 CB HIS A 402 -0.408 10.249 -0.546 1.00 0.00 C ATOM 278 CG HIS A 402 -0.072 10.882 -1.866 1.00 0.00 C ATOM 279 ND1 HIS A 402 -0.150 12.237 -2.085 1.00 0.00 N ATOM 280 CD2 HIS A 402 0.367 10.339 -3.026 1.00 0.00 C ATOM 281 CE1 HIS A 402 0.222 12.503 -3.321 1.00 0.00 C ATOM 282 NE2 HIS A 402 0.545 11.370 -3.917 1.00 0.00 N ATOM 0 H HIS A 402 -0.487 9.346 1.777 1.00 0.00 H new ATOM 0 HA HIS A 402 1.017 8.645 -0.468 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -1.216 9.532 -0.691 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -0.781 11.017 0.132 1.00 0.00 H new ATOM 0 HD2 HIS A 402 0.544 9.291 -3.216 1.00 0.00 H new ATOM 0 HE1 HIS A 402 0.257 13.484 -3.771 1.00 0.00 H new ATOM 0 HE2 HIS A 402 0.872 11.276 -4.879 1.00 0.00 H new ATOM 291 N GLY A 403 2.963 10.139 -0.728 1.00 0.00 N ATOM 292 CA GLY A 403 4.124 10.989 -0.875 1.00 0.00 C ATOM 293 C GLY A 403 5.287 10.514 -0.033 1.00 0.00 C ATOM 294 O GLY A 403 6.420 10.958 -0.214 1.00 0.00 O ATOM 0 H GLY A 403 2.970 9.299 -1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.423 11.016 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.864 12.009 -0.591 1.00 0.00 H new ATOM 298 N ARG A 404 5.004 9.605 0.886 1.00 0.00 N ATOM 299 CA ARG A 404 6.025 9.078 1.773 1.00 0.00 C ATOM 300 C ARG A 404 6.849 8.010 1.078 1.00 0.00 C ATOM 301 O ARG A 404 6.318 7.172 0.343 1.00 0.00 O ATOM 302 CB ARG A 404 5.391 8.520 3.045 1.00 0.00 C ATOM 303 CG ARG A 404 4.847 9.602 3.961 1.00 0.00 C ATOM 304 CD ARG A 404 4.087 9.023 5.141 1.00 0.00 C ATOM 305 NE ARG A 404 3.855 10.029 6.177 1.00 0.00 N ATOM 306 CZ ARG A 404 3.286 9.780 7.357 1.00 0.00 C ATOM 307 NH1 ARG A 404 2.813 8.571 7.638 1.00 0.00 N ATOM 308 NH2 ARG A 404 3.182 10.751 8.254 1.00 0.00 N ATOM 0 H ARG A 404 4.073 9.217 1.036 1.00 0.00 H new ATOM 0 HA ARG A 404 6.692 9.896 2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.583 7.841 2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.133 7.932 3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.671 10.215 4.327 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.188 10.259 3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.132 8.625 4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.648 8.189 5.562 1.00 0.00 H new ATOM 0 HE ARG A 404 4.149 10.987 5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 404 2.883 7.823 6.948 1.00 0.00 H new ATOM 0 HH12 ARG A 404 2.380 8.391 8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 404 3.536 11.683 8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.748 10.566 9.158 1.00 0.00 H new ATOM 322 N LYS A 405 8.150 8.062 1.299 1.00 0.00 N ATOM 323 CA LYS A 405 9.064 7.101 0.718 1.00 0.00 C ATOM 324 C LYS A 405 9.539 6.116 1.775 1.00 0.00 C ATOM 325 O LYS A 405 9.762 6.483 2.931 1.00 0.00 O ATOM 326 CB LYS A 405 10.270 7.806 0.097 1.00 0.00 C ATOM 327 CG LYS A 405 9.910 8.821 -0.974 1.00 0.00 C ATOM 328 CD LYS A 405 11.151 9.487 -1.547 1.00 0.00 C ATOM 329 CE LYS A 405 10.797 10.542 -2.583 1.00 0.00 C ATOM 330 NZ LYS A 405 12.004 11.245 -3.093 1.00 0.00 N ATOM 0 H LYS A 405 8.599 8.768 1.883 1.00 0.00 H new ATOM 0 HA LYS A 405 8.531 6.560 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.829 8.309 0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.933 7.056 -0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.358 8.328 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.250 9.579 -0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.722 9.947 -0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.792 8.732 -2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 405 10.272 10.072 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 405 10.113 11.268 -2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 11.720 11.956 -3.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.492 11.715 -2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 12.646 10.557 -3.536 1.00 0.00 H new ATOM 344 N PHE A 406 9.688 4.872 1.369 1.00 0.00 N ATOM 345 CA PHE A 406 10.129 3.809 2.255 1.00 0.00 C ATOM 346 C PHE A 406 11.220 3.003 1.570 1.00 0.00 C ATOM 347 O PHE A 406 11.354 3.041 0.347 1.00 0.00 O ATOM 348 CB PHE A 406 8.957 2.888 2.628 1.00 0.00 C ATOM 349 CG PHE A 406 7.841 3.573 3.371 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.820 4.215 2.684 1.00 0.00 C ATOM 351 CD2 PHE A 406 7.811 3.574 4.754 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.793 4.839 3.363 1.00 0.00 C ATOM 353 CE2 PHE A 406 6.785 4.197 5.439 1.00 0.00 C ATOM 354 CZ PHE A 406 5.777 4.833 4.742 1.00 0.00 C ATOM 0 H PHE A 406 9.507 4.566 0.413 1.00 0.00 H new ATOM 0 HA PHE A 406 10.519 4.254 3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.553 2.446 1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.335 2.068 3.239 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.829 4.226 1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 406 8.599 3.082 5.305 1.00 0.00 H new ATOM 0 HE1 PHE A 406 5.003 5.331 2.815 1.00 0.00 H new ATOM 0 HE2 PHE A 406 6.772 4.186 6.519 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.977 5.325 5.276 1.00 0.00 H new ATOM 364 N VAL A 407 12.010 2.299 2.359 1.00 0.00 N ATOM 365 CA VAL A 407 13.074 1.460 1.826 1.00 0.00 C ATOM 366 C VAL A 407 12.637 -0.009 1.852 1.00 0.00 C ATOM 367 O VAL A 407 11.672 -0.351 2.540 1.00 0.00 O ATOM 368 CB VAL A 407 14.386 1.658 2.631 1.00 0.00 C ATOM 369 CG1 VAL A 407 14.277 1.054 4.025 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.586 1.091 1.884 1.00 0.00 C ATOM 0 H VAL A 407 11.936 2.290 3.376 1.00 0.00 H new ATOM 0 HA VAL A 407 13.269 1.751 0.794 1.00 0.00 H new ATOM 0 HB VAL A 407 14.540 2.731 2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 407 15.212 1.209 4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 407 13.462 1.534 4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.078 -0.015 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 407 16.489 1.246 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.440 0.024 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.689 1.597 0.924 1.00 0.00 H new ATOM 380 N GLN A 408 13.324 -0.867 1.095 1.00 0.00 N ATOM 381 CA GLN A 408 12.982 -2.289 1.052 1.00 0.00 C ATOM 382 C GLN A 408 12.987 -2.885 2.459 1.00 0.00 C ATOM 383 O GLN A 408 13.947 -2.715 3.213 1.00 0.00 O ATOM 384 CB GLN A 408 13.963 -3.066 0.167 1.00 0.00 C ATOM 385 CG GLN A 408 13.611 -4.538 0.030 1.00 0.00 C ATOM 386 CD GLN A 408 14.624 -5.314 -0.782 1.00 0.00 C ATOM 387 OE1 GLN A 408 15.605 -5.828 -0.244 1.00 0.00 O ATOM 388 NE2 GLN A 408 14.383 -5.424 -2.078 1.00 0.00 N ATOM 0 H GLN A 408 14.115 -0.604 0.507 1.00 0.00 H new ATOM 0 HA GLN A 408 11.982 -2.374 0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.987 -2.611 -0.823 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.966 -2.976 0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.533 -4.981 1.023 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.631 -4.630 -0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.558 -4.982 -2.483 1.00 0.00 H new ATOM 0 HE22 GLN A 408 15.022 -5.951 -2.673 1.00 0.00 H new ATOM 397 N GLY A 409 11.913 -3.584 2.802 1.00 0.00 N ATOM 398 CA GLY A 409 11.787 -4.153 4.127 1.00 0.00 C ATOM 399 C GLY A 409 10.776 -3.411 4.978 1.00 0.00 C ATOM 400 O GLY A 409 10.286 -3.940 5.976 1.00 0.00 O ATOM 0 H GLY A 409 11.124 -3.767 2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.491 -5.199 4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.758 -4.135 4.622 1.00 0.00 H new ATOM 404 N LYS A 410 10.461 -2.184 4.580 1.00 0.00 N ATOM 405 CA LYS A 410 9.527 -1.351 5.316 1.00 0.00 C ATOM 406 C LYS A 410 8.085 -1.697 4.969 1.00 0.00 C ATOM 407 O LYS A 410 7.780 -2.096 3.840 1.00 0.00 O ATOM 408 CB LYS A 410 9.811 0.118 5.016 1.00 0.00 C ATOM 409 CG LYS A 410 11.108 0.618 5.629 1.00 0.00 C ATOM 410 CD LYS A 410 10.987 0.765 7.135 1.00 0.00 C ATOM 411 CE LYS A 410 12.310 1.146 7.781 1.00 0.00 C ATOM 412 NZ LYS A 410 13.286 0.022 7.773 1.00 0.00 N ATOM 0 H LYS A 410 10.845 -1.744 3.744 1.00 0.00 H new ATOM 0 HA LYS A 410 9.661 -1.536 6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.850 0.260 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.985 0.724 5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.915 -0.076 5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.374 1.579 5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 410 10.240 1.524 7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.632 -0.172 7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 410 12.737 1.999 7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 410 12.132 1.463 8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 14.133 0.294 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 12.853 -0.817 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 13.555 -0.197 6.793 1.00 0.00 H new ATOM 426 N SER A 411 7.206 -1.539 5.945 1.00 0.00 N ATOM 427 CA SER A 411 5.804 -1.875 5.786 1.00 0.00 C ATOM 428 C SER A 411 4.924 -0.695 6.167 1.00 0.00 C ATOM 429 O SER A 411 5.381 0.269 6.789 1.00 0.00 O ATOM 430 CB SER A 411 5.461 -3.084 6.661 1.00 0.00 C ATOM 431 OG SER A 411 4.085 -3.427 6.598 1.00 0.00 O ATOM 0 H SER A 411 7.445 -1.175 6.867 1.00 0.00 H new ATOM 0 HA SER A 411 5.620 -2.120 4.740 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.060 -3.938 6.346 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.732 -2.869 7.695 1.00 0.00 H new ATOM 0 HG SER A 411 3.915 -4.204 7.170 1.00 0.00 H new ATOM 437 N ILE A 412 3.663 -0.791 5.797 1.00 0.00 N ATOM 438 CA ILE A 412 2.665 0.211 6.133 1.00 0.00 C ATOM 439 C ILE A 412 1.285 -0.288 5.728 1.00 0.00 C ATOM 440 O ILE A 412 1.126 -0.919 4.686 1.00 0.00 O ATOM 441 CB ILE A 412 2.959 1.578 5.458 1.00 0.00 C ATOM 442 CG1 ILE A 412 1.937 2.631 5.891 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.985 1.451 3.940 1.00 0.00 C ATOM 444 CD1 ILE A 412 1.986 2.951 7.370 1.00 0.00 C ATOM 0 H ILE A 412 3.297 -1.571 5.251 1.00 0.00 H new ATOM 0 HA ILE A 412 2.700 0.369 7.211 1.00 0.00 H new ATOM 0 HB ILE A 412 3.947 1.902 5.786 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.108 3.546 5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 412 0.937 2.281 5.637 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.193 2.425 3.497 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.763 0.745 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 412 2.018 1.092 3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.234 3.705 7.604 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.785 2.047 7.945 1.00 0.00 H new ATOM 0 HD13 ILE A 412 2.974 3.332 7.627 1.00 0.00 H new ATOM 456 N ASP A 413 0.299 -0.047 6.572 1.00 0.00 N ATOM 457 CA ASP A 413 -1.066 -0.454 6.273 1.00 0.00 C ATOM 458 C ASP A 413 -1.771 0.600 5.440 1.00 0.00 C ATOM 459 O ASP A 413 -1.480 1.793 5.538 1.00 0.00 O ATOM 460 CB ASP A 413 -1.874 -0.727 7.550 1.00 0.00 C ATOM 461 CG ASP A 413 -2.061 0.502 8.419 1.00 0.00 C ATOM 462 OD1 ASP A 413 -1.180 0.780 9.262 1.00 0.00 O ATOM 463 OD2 ASP A 413 -3.104 1.182 8.280 1.00 0.00 O ATOM 0 H ASP A 413 0.415 0.427 7.468 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.004 -1.382 5.705 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.853 -1.120 7.275 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.371 -1.500 8.131 1.00 0.00 H new ATOM 468 N VAL A 414 -2.690 0.146 4.612 1.00 0.00 N ATOM 469 CA VAL A 414 -3.513 1.038 3.819 1.00 0.00 C ATOM 470 C VAL A 414 -4.949 0.977 4.300 1.00 0.00 C ATOM 471 O VAL A 414 -5.477 -0.103 4.570 1.00 0.00 O ATOM 472 CB VAL A 414 -3.460 0.692 2.318 1.00 0.00 C ATOM 473 CG1 VAL A 414 -4.315 1.655 1.510 1.00 0.00 C ATOM 474 CG2 VAL A 414 -2.029 0.707 1.815 1.00 0.00 C ATOM 0 H VAL A 414 -2.887 -0.845 4.470 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.117 2.046 3.944 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.861 -0.313 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -4.262 1.391 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.350 1.594 1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.948 2.672 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.014 0.460 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.602 1.699 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.442 -0.027 2.367 1.00 0.00 H new ATOM 484 N ALA A 415 -5.566 2.135 4.428 1.00 0.00 N ATOM 485 CA ALA A 415 -6.936 2.204 4.882 1.00 0.00 C ATOM 486 C ALA A 415 -7.872 2.262 3.685 1.00 0.00 C ATOM 487 O ALA A 415 -8.087 3.318 3.104 1.00 0.00 O ATOM 488 CB ALA A 415 -7.137 3.406 5.793 1.00 0.00 C ATOM 0 H ALA A 415 -5.139 3.039 4.224 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.166 1.308 5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.175 3.441 6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.482 3.319 6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.899 4.319 5.248 1.00 0.00 H new ATOM 494 N CYS A 416 -8.406 1.122 3.302 1.00 0.00 N ATOM 495 CA CYS A 416 -9.263 1.046 2.130 1.00 0.00 C ATOM 496 C CYS A 416 -10.678 1.498 2.458 1.00 0.00 C ATOM 497 O CYS A 416 -11.124 1.402 3.602 1.00 0.00 O ATOM 498 CB CYS A 416 -9.274 -0.379 1.584 1.00 0.00 C ATOM 499 SG CYS A 416 -7.614 -1.006 1.188 1.00 0.00 S ATOM 0 H CYS A 416 -8.264 0.233 3.782 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.864 1.716 1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.739 -1.038 2.317 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.892 -0.413 0.687 1.00 0.00 H new ATOM 504 N HIS A 417 -11.373 2.014 1.451 1.00 0.00 N ATOM 505 CA HIS A 417 -12.761 2.419 1.618 1.00 0.00 C ATOM 506 C HIS A 417 -13.643 1.174 1.724 1.00 0.00 C ATOM 507 O HIS A 417 -13.223 0.082 1.340 1.00 0.00 O ATOM 508 CB HIS A 417 -13.227 3.300 0.447 1.00 0.00 C ATOM 509 CG HIS A 417 -12.498 4.607 0.305 1.00 0.00 C ATOM 510 ND1 HIS A 417 -12.449 5.311 -0.880 1.00 0.00 N ATOM 511 CD2 HIS A 417 -11.807 5.351 1.205 1.00 0.00 C ATOM 512 CE1 HIS A 417 -11.762 6.422 -0.706 1.00 0.00 C ATOM 513 NE2 HIS A 417 -11.361 6.471 0.546 1.00 0.00 N ATOM 0 H HIS A 417 -10.998 2.161 0.514 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.845 3.007 2.532 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.115 2.736 -0.479 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.291 3.506 0.568 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -11.639 5.108 2.244 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -11.562 7.166 -1.463 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -10.808 7.221 0.961 1.00 0.00 H new ATOM 522 N PRO A 418 -14.868 1.327 2.244 1.00 0.00 N ATOM 523 CA PRO A 418 -15.797 0.208 2.466 1.00 0.00 C ATOM 524 C PRO A 418 -16.083 -0.592 1.194 1.00 0.00 C ATOM 525 O PRO A 418 -16.665 -0.077 0.233 1.00 0.00 O ATOM 526 CB PRO A 418 -17.067 0.903 2.963 1.00 0.00 C ATOM 527 CG PRO A 418 -16.588 2.183 3.542 1.00 0.00 C ATOM 528 CD PRO A 418 -15.455 2.607 2.663 1.00 0.00 C ATOM 0 HA PRO A 418 -15.389 -0.524 3.163 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.770 1.075 2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.584 0.299 3.709 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -17.380 2.932 3.553 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -16.259 2.051 4.573 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.802 3.191 1.810 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.736 3.225 3.201 1.00 0.00 H new ATOM 536 N GLY A 419 -15.659 -1.849 1.198 1.00 0.00 N ATOM 537 CA GLY A 419 -15.868 -2.716 0.056 1.00 0.00 C ATOM 538 C GLY A 419 -14.584 -2.971 -0.704 1.00 0.00 C ATOM 539 O GLY A 419 -14.546 -3.769 -1.642 1.00 0.00 O ATOM 0 H GLY A 419 -15.170 -2.286 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.285 -3.665 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.602 -2.265 -0.612 1.00 0.00 H new ATOM 543 N TYR A 420 -13.526 -2.288 -0.295 1.00 0.00 N ATOM 544 CA TYR A 420 -12.231 -2.418 -0.940 1.00 0.00 C ATOM 545 C TYR A 420 -11.220 -3.034 0.020 1.00 0.00 C ATOM 546 O TYR A 420 -11.364 -2.916 1.241 1.00 0.00 O ATOM 547 CB TYR A 420 -11.741 -1.045 -1.409 1.00 0.00 C ATOM 548 CG TYR A 420 -12.705 -0.345 -2.347 1.00 0.00 C ATOM 549 CD1 TYR A 420 -12.761 -0.683 -3.695 1.00 0.00 C ATOM 550 CD2 TYR A 420 -13.565 0.642 -1.887 1.00 0.00 C ATOM 551 CE1 TYR A 420 -13.638 -0.053 -4.556 1.00 0.00 C ATOM 552 CE2 TYR A 420 -14.446 1.278 -2.741 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.482 0.923 -4.074 1.00 0.00 C ATOM 554 OH TYR A 420 -15.364 1.549 -4.928 1.00 0.00 O ATOM 0 H TYR A 420 -13.541 -1.633 0.487 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.334 -3.074 -1.805 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.570 -0.412 -0.538 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.780 -1.163 -1.910 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.106 -1.453 -4.076 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.546 0.918 -0.843 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.662 -0.324 -5.601 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -15.103 2.049 -2.367 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.888 2.211 -4.430 1.00 0.00 H new ATOM 564 N ALA A 421 -10.216 -3.704 -0.530 1.00 0.00 N ATOM 565 CA ALA A 421 -9.158 -4.305 0.271 1.00 0.00 C ATOM 566 C ALA A 421 -7.938 -4.564 -0.594 1.00 0.00 C ATOM 567 O ALA A 421 -8.049 -4.649 -1.813 1.00 0.00 O ATOM 568 CB ALA A 421 -9.642 -5.603 0.901 1.00 0.00 C ATOM 0 H ALA A 421 -10.112 -3.845 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.886 -3.614 1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.840 -6.040 1.496 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.500 -5.399 1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.933 -6.302 0.117 1.00 0.00 H new ATOM 574 N LEU A 422 -6.776 -4.669 0.030 1.00 0.00 N ATOM 575 CA LEU A 422 -5.557 -4.988 -0.696 1.00 0.00 C ATOM 576 C LEU A 422 -5.546 -6.455 -1.094 1.00 0.00 C ATOM 577 O LEU A 422 -6.083 -7.310 -0.388 1.00 0.00 O ATOM 578 CB LEU A 422 -4.320 -4.662 0.140 1.00 0.00 C ATOM 579 CG LEU A 422 -3.973 -3.177 0.241 1.00 0.00 C ATOM 580 CD1 LEU A 422 -3.015 -2.928 1.389 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.362 -2.684 -1.057 1.00 0.00 C ATOM 0 H LEU A 422 -6.651 -4.539 1.034 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.532 -4.376 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.469 -5.053 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.466 -5.190 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.895 -2.626 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.781 -1.865 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.477 -3.246 2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.098 -3.494 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.121 -1.625 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.452 -3.246 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.073 -2.826 -1.871 1.00 0.00 H new ATOM 593 N PRO A 423 -4.937 -6.738 -2.247 1.00 0.00 N ATOM 594 CA PRO A 423 -4.847 -8.084 -2.827 1.00 0.00 C ATOM 595 C PRO A 423 -4.420 -9.142 -1.814 1.00 0.00 C ATOM 596 O PRO A 423 -3.552 -8.897 -0.975 1.00 0.00 O ATOM 597 CB PRO A 423 -3.794 -7.903 -3.915 1.00 0.00 C ATOM 598 CG PRO A 423 -4.011 -6.499 -4.359 1.00 0.00 C ATOM 599 CD PRO A 423 -4.280 -5.736 -3.099 1.00 0.00 C ATOM 0 HA PRO A 423 -5.808 -8.446 -3.192 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.785 -8.053 -3.530 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.932 -8.611 -4.732 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.136 -6.109 -4.878 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.850 -6.428 -5.051 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.361 -5.362 -2.648 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.922 -4.873 -3.278 1.00 0.00 H new ATOM 607 N LYS A 424 -5.048 -10.317 -1.909 1.00 0.00 N ATOM 608 CA LYS A 424 -4.836 -11.418 -0.967 1.00 0.00 C ATOM 609 C LYS A 424 -5.398 -11.077 0.409 1.00 0.00 C ATOM 610 O LYS A 424 -4.921 -11.580 1.429 1.00 0.00 O ATOM 611 CB LYS A 424 -3.353 -11.805 -0.873 1.00 0.00 C ATOM 612 CG LYS A 424 -2.818 -12.449 -2.143 1.00 0.00 C ATOM 613 CD LYS A 424 -3.544 -13.749 -2.447 1.00 0.00 C ATOM 614 CE LYS A 424 -3.147 -14.316 -3.797 1.00 0.00 C ATOM 615 NZ LYS A 424 -3.911 -15.548 -4.116 1.00 0.00 N ATOM 0 H LYS A 424 -5.721 -10.532 -2.645 1.00 0.00 H new ATOM 0 HA LYS A 424 -5.377 -12.283 -1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.766 -10.914 -0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -3.216 -12.494 -0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -2.934 -11.760 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -1.751 -12.642 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -3.324 -14.479 -1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -4.620 -13.577 -2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -3.320 -13.569 -4.572 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -2.080 -14.537 -3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -3.615 -15.909 -5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -3.726 -16.269 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -4.928 -15.330 -4.137 1.00 0.00 H new ATOM 629 N ALA A 425 -6.420 -10.217 0.414 1.00 0.00 N ATOM 630 CA ALA A 425 -7.135 -9.839 1.634 1.00 0.00 C ATOM 631 C ALA A 425 -6.187 -9.232 2.661 1.00 0.00 C ATOM 632 O ALA A 425 -6.152 -9.650 3.821 1.00 0.00 O ATOM 633 CB ALA A 425 -7.872 -11.037 2.218 1.00 0.00 C ATOM 0 H ALA A 425 -6.774 -9.764 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.871 -9.079 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.397 -10.735 3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.591 -11.412 1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -7.156 -11.823 2.458 1.00 0.00 H new ATOM 639 N GLN A 426 -5.417 -8.250 2.226 1.00 0.00 N ATOM 640 CA GLN A 426 -4.450 -7.605 3.085 1.00 0.00 C ATOM 641 C GLN A 426 -4.916 -6.214 3.486 1.00 0.00 C ATOM 642 O GLN A 426 -5.791 -5.626 2.848 1.00 0.00 O ATOM 643 CB GLN A 426 -3.107 -7.516 2.368 1.00 0.00 C ATOM 644 CG GLN A 426 -2.456 -8.866 2.119 1.00 0.00 C ATOM 645 CD GLN A 426 -2.173 -9.624 3.402 1.00 0.00 C ATOM 646 OE1 GLN A 426 -1.908 -9.029 4.450 1.00 0.00 O ATOM 647 NE2 GLN A 426 -2.239 -10.943 3.332 1.00 0.00 N ATOM 0 H GLN A 426 -5.446 -7.882 1.275 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.343 -8.201 3.991 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.248 -7.009 1.413 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.430 -6.900 2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -3.106 -9.467 1.483 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -1.523 -8.720 1.574 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -2.461 -11.396 2.446 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -2.068 -11.507 4.164 1.00 0.00 H new ATOM 656 N THR A 427 -4.323 -5.695 4.548 1.00 0.00 N ATOM 657 CA THR A 427 -4.585 -4.339 4.992 1.00 0.00 C ATOM 658 C THR A 427 -3.291 -3.570 4.972 1.00 0.00 C ATOM 659 O THR A 427 -3.244 -2.381 5.261 1.00 0.00 O ATOM 660 CB THR A 427 -5.158 -4.312 6.419 1.00 0.00 C ATOM 661 OG1 THR A 427 -4.484 -5.287 7.228 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.654 -4.586 6.417 1.00 0.00 C ATOM 0 H THR A 427 -3.649 -6.200 5.124 1.00 0.00 H new ATOM 0 HA THR A 427 -5.320 -3.892 4.322 1.00 0.00 H new ATOM 0 HB THR A 427 -4.998 -3.317 6.834 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.849 -5.267 8.137 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.030 -4.560 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 427 -7.162 -3.826 5.824 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.843 -5.569 5.985 1.00 0.00 H new ATOM 670 N THR A 428 -2.243 -4.278 4.606 1.00 0.00 N ATOM 671 CA THR A 428 -0.902 -3.772 4.695 1.00 0.00 C ATOM 672 C THR A 428 -0.162 -3.965 3.378 1.00 0.00 C ATOM 673 O THR A 428 -0.447 -4.897 2.628 1.00 0.00 O ATOM 674 CB THR A 428 -0.157 -4.521 5.805 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.973 -5.600 6.293 1.00 0.00 O ATOM 676 CG2 THR A 428 0.216 -3.597 6.954 1.00 0.00 C ATOM 0 H THR A 428 -2.305 -5.227 4.237 1.00 0.00 H new ATOM 0 HA THR A 428 -0.944 -2.706 4.918 1.00 0.00 H new ATOM 0 HB THR A 428 0.766 -4.916 5.382 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.494 -6.078 7.001 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.743 -4.165 7.721 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.862 -2.800 6.585 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.688 -3.163 7.380 1.00 0.00 H new ATOM 684 N VAL A 429 0.779 -3.080 3.102 1.00 0.00 N ATOM 685 CA VAL A 429 1.615 -3.185 1.923 1.00 0.00 C ATOM 686 C VAL A 429 3.056 -2.947 2.310 1.00 0.00 C ATOM 687 O VAL A 429 3.363 -2.027 3.070 1.00 0.00 O ATOM 688 CB VAL A 429 1.182 -2.201 0.809 1.00 0.00 C ATOM 689 CG1 VAL A 429 0.991 -0.796 1.350 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.176 -2.192 -0.321 1.00 0.00 C ATOM 0 H VAL A 429 0.984 -2.271 3.688 1.00 0.00 H new ATOM 0 HA VAL A 429 1.502 -4.190 1.516 1.00 0.00 H new ATOM 0 HB VAL A 429 0.223 -2.550 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.687 -0.132 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.220 -0.805 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.928 -0.440 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.847 -1.492 -1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.152 -1.885 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.250 -3.192 -0.748 1.00 0.00 H new ATOM 700 N THR A 430 3.941 -3.800 1.827 1.00 0.00 N ATOM 701 CA THR A 430 5.322 -3.703 2.220 1.00 0.00 C ATOM 702 C THR A 430 6.248 -3.709 1.020 1.00 0.00 C ATOM 703 O THR A 430 5.895 -4.203 -0.049 1.00 0.00 O ATOM 704 CB THR A 430 5.732 -4.833 3.186 1.00 0.00 C ATOM 705 OG1 THR A 430 6.127 -5.999 2.459 1.00 0.00 O ATOM 706 CG2 THR A 430 4.598 -5.209 4.123 1.00 0.00 C ATOM 0 H THR A 430 3.727 -4.553 1.173 1.00 0.00 H new ATOM 0 HA THR A 430 5.420 -2.750 2.740 1.00 0.00 H new ATOM 0 HB THR A 430 6.569 -4.457 3.775 1.00 0.00 H new ATOM 0 HG1 THR A 430 6.385 -6.705 3.088 1.00 0.00 H new ATOM 0 HG21 THR A 430 4.925 -6.008 4.788 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.311 -4.339 4.714 1.00 0.00 H new ATOM 0 HG23 THR A 430 3.742 -5.550 3.540 1.00 0.00 H new ATOM 714 N CYS A 431 7.429 -3.145 1.213 1.00 0.00 N ATOM 715 CA CYS A 431 8.411 -3.027 0.154 1.00 0.00 C ATOM 716 C CYS A 431 9.246 -4.301 0.070 1.00 0.00 C ATOM 717 O CYS A 431 10.186 -4.491 0.845 1.00 0.00 O ATOM 718 CB CYS A 431 9.307 -1.815 0.424 1.00 0.00 C ATOM 719 SG CYS A 431 10.262 -1.245 -1.017 1.00 0.00 S ATOM 0 H CYS A 431 7.731 -2.758 2.107 1.00 0.00 H new ATOM 0 HA CYS A 431 7.902 -2.887 -0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.687 -0.993 0.781 1.00 0.00 H new ATOM 0 HB3 CYS A 431 10.000 -2.063 1.228 1.00 0.00 H new ATOM 724 N MET A 432 8.881 -5.181 -0.856 1.00 0.00 N ATOM 725 CA MET A 432 9.591 -6.440 -1.046 1.00 0.00 C ATOM 726 C MET A 432 10.781 -6.230 -1.984 1.00 0.00 C ATOM 727 O MET A 432 11.324 -5.129 -2.077 1.00 0.00 O ATOM 728 CB MET A 432 8.650 -7.516 -1.625 1.00 0.00 C ATOM 729 CG MET A 432 8.315 -7.302 -3.092 1.00 0.00 C ATOM 730 SD MET A 432 7.416 -8.677 -3.839 1.00 0.00 S ATOM 731 CE MET A 432 7.073 -7.999 -5.464 1.00 0.00 C ATOM 0 H MET A 432 8.093 -5.044 -1.490 1.00 0.00 H new ATOM 0 HA MET A 432 9.952 -6.783 -0.076 1.00 0.00 H new ATOM 0 HB2 MET A 432 9.114 -8.495 -1.505 1.00 0.00 H new ATOM 0 HB3 MET A 432 7.726 -7.528 -1.047 1.00 0.00 H new ATOM 0 HG2 MET A 432 7.720 -6.394 -3.191 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.239 -7.140 -3.647 1.00 0.00 H new ATOM 0 HE1 MET A 432 6.387 -8.658 -5.996 1.00 0.00 H new ATOM 0 HE2 MET A 432 6.621 -7.013 -5.359 1.00 0.00 H new ATOM 0 HE3 MET A 432 8.003 -7.914 -6.026 1.00 0.00 H new ATOM 741 N GLU A 433 11.167 -7.291 -2.675 1.00 0.00 N ATOM 742 CA GLU A 433 12.257 -7.247 -3.638 1.00 0.00 C ATOM 743 C GLU A 433 12.021 -6.150 -4.674 1.00 0.00 C ATOM 744 O GLU A 433 12.824 -5.233 -4.809 1.00 0.00 O ATOM 745 CB GLU A 433 12.365 -8.600 -4.329 1.00 0.00 C ATOM 746 CG GLU A 433 13.414 -8.672 -5.421 1.00 0.00 C ATOM 747 CD GLU A 433 13.246 -9.909 -6.269 1.00 0.00 C ATOM 748 OE1 GLU A 433 13.625 -11.008 -5.811 1.00 0.00 O ATOM 749 OE2 GLU A 433 12.695 -9.799 -7.385 1.00 0.00 O ATOM 0 H GLU A 433 10.732 -8.209 -2.584 1.00 0.00 H new ATOM 0 HA GLU A 433 13.186 -7.024 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 433 12.588 -9.359 -3.579 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.395 -8.852 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 433 13.346 -7.785 -6.051 1.00 0.00 H new ATOM 0 HG3 GLU A 433 14.408 -8.669 -4.973 1.00 0.00 H new ATOM 756 N ASN A 434 10.905 -6.245 -5.383 1.00 0.00 N ATOM 757 CA ASN A 434 10.563 -5.300 -6.420 1.00 0.00 C ATOM 758 C ASN A 434 9.416 -4.411 -5.941 1.00 0.00 C ATOM 759 O ASN A 434 8.305 -4.446 -6.470 1.00 0.00 O ATOM 760 CB ASN A 434 10.196 -6.070 -7.696 1.00 0.00 C ATOM 761 CG ASN A 434 9.910 -5.176 -8.882 1.00 0.00 C ATOM 762 OD1 ASN A 434 10.808 -4.796 -9.630 1.00 0.00 O ATOM 763 ND2 ASN A 434 8.649 -4.854 -9.076 1.00 0.00 N ATOM 0 H ASN A 434 10.214 -6.984 -5.250 1.00 0.00 H new ATOM 0 HA ASN A 434 11.411 -4.653 -6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 434 11.013 -6.746 -7.950 1.00 0.00 H new ATOM 0 HB3 ASN A 434 9.320 -6.688 -7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 434 8.388 -4.269 -9.870 1.00 0.00 H new ATOM 0 HD22 ASN A 434 7.932 -5.189 -8.432 1.00 0.00 H new ATOM 770 N GLY A 435 9.680 -3.667 -4.880 1.00 0.00 N ATOM 771 CA GLY A 435 8.730 -2.678 -4.405 1.00 0.00 C ATOM 772 C GLY A 435 7.596 -3.277 -3.589 1.00 0.00 C ATOM 773 O GLY A 435 7.672 -4.426 -3.168 1.00 0.00 O ATOM 0 H GLY A 435 10.540 -3.729 -4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 435 9.256 -1.942 -3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 435 8.312 -2.146 -5.260 1.00 0.00 H new ATOM 777 N TRP A 436 6.552 -2.480 -3.362 1.00 0.00 N ATOM 778 CA TRP A 436 5.365 -2.914 -2.624 1.00 0.00 C ATOM 779 C TRP A 436 4.859 -4.260 -3.157 1.00 0.00 C ATOM 780 O TRP A 436 4.472 -4.368 -4.320 1.00 0.00 O ATOM 781 CB TRP A 436 4.260 -1.868 -2.767 1.00 0.00 C ATOM 782 CG TRP A 436 4.626 -0.487 -2.303 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.633 0.652 -3.059 1.00 0.00 C ATOM 784 CD2 TRP A 436 5.013 -0.091 -0.983 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.993 1.727 -2.289 1.00 0.00 N ATOM 786 CE2 TRP A 436 5.236 1.298 -1.012 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.196 -0.777 0.217 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.621 2.014 0.114 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.582 -0.066 1.337 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.791 1.316 1.280 1.00 0.00 C ATOM 0 H TRP A 436 6.505 -1.514 -3.685 1.00 0.00 H new ATOM 0 HA TRP A 436 5.634 -3.029 -1.574 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.964 -1.816 -3.815 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.388 -2.204 -2.206 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.390 0.698 -4.110 1.00 0.00 H new ATOM 0 HE1 TRP A 436 5.068 2.691 -2.615 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.039 -1.844 0.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.780 3.081 0.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.725 -0.586 2.273 1.00 0.00 H new ATOM 0 HH2 TRP A 436 6.092 1.843 2.173 1.00 0.00 H new ATOM 801 N SER A 437 4.844 -5.274 -2.299 1.00 0.00 N ATOM 802 CA SER A 437 4.541 -6.631 -2.725 1.00 0.00 C ATOM 803 C SER A 437 3.035 -6.874 -2.907 1.00 0.00 C ATOM 804 O SER A 437 2.637 -7.497 -3.892 1.00 0.00 O ATOM 805 CB SER A 437 5.171 -7.641 -1.760 1.00 0.00 C ATOM 806 OG SER A 437 4.867 -7.347 -0.412 1.00 0.00 O ATOM 0 H SER A 437 5.039 -5.179 -1.302 1.00 0.00 H new ATOM 0 HA SER A 437 4.983 -6.773 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 437 4.816 -8.643 -2.001 1.00 0.00 H new ATOM 0 HB3 SER A 437 6.253 -7.645 -1.895 1.00 0.00 H new ATOM 0 HG SER A 437 5.286 -8.015 0.171 1.00 0.00 H new ATOM 812 N PRO A 438 2.163 -6.412 -1.981 1.00 0.00 N ATOM 813 CA PRO A 438 0.714 -6.475 -2.186 1.00 0.00 C ATOM 814 C PRO A 438 0.279 -5.549 -3.311 1.00 0.00 C ATOM 815 O PRO A 438 -0.752 -5.767 -3.943 1.00 0.00 O ATOM 816 CB PRO A 438 0.140 -5.985 -0.851 1.00 0.00 C ATOM 817 CG PRO A 438 1.246 -6.150 0.121 1.00 0.00 C ATOM 818 CD PRO A 438 2.479 -5.843 -0.661 1.00 0.00 C ATOM 0 HA PRO A 438 0.376 -7.473 -2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 438 -0.178 -4.944 -0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.734 -6.568 -0.559 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.134 -5.473 0.968 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.273 -7.163 0.524 1.00 0.00 H new ATOM 0 HD2 PRO A 438 2.670 -4.771 -0.715 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.364 -6.302 -0.221 1.00 0.00 H new ATOM 826 N THR A 439 1.109 -4.535 -3.563 1.00 0.00 N ATOM 827 CA THR A 439 0.801 -3.483 -4.519 1.00 0.00 C ATOM 828 C THR A 439 -0.357 -2.624 -4.005 1.00 0.00 C ATOM 829 O THR A 439 -1.486 -3.095 -3.898 1.00 0.00 O ATOM 830 CB THR A 439 0.465 -4.056 -5.915 1.00 0.00 C ATOM 831 OG1 THR A 439 1.543 -4.895 -6.367 1.00 0.00 O ATOM 832 CG2 THR A 439 0.229 -2.942 -6.924 1.00 0.00 C ATOM 0 H THR A 439 2.014 -4.425 -3.106 1.00 0.00 H new ATOM 0 HA THR A 439 1.690 -2.861 -4.624 1.00 0.00 H new ATOM 0 HB THR A 439 -0.450 -4.642 -5.831 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.326 -5.258 -7.251 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.005 -3.375 -7.896 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.604 -2.322 -6.593 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.127 -2.330 -7.006 1.00 0.00 H new ATOM 840 N PRO A 440 -0.069 -1.359 -3.643 1.00 0.00 N ATOM 841 CA PRO A 440 -1.064 -0.429 -3.100 1.00 0.00 C ATOM 842 C PRO A 440 -2.242 -0.196 -4.039 1.00 0.00 C ATOM 843 O PRO A 440 -2.270 0.773 -4.803 1.00 0.00 O ATOM 844 CB PRO A 440 -0.294 0.875 -2.896 1.00 0.00 C ATOM 845 CG PRO A 440 1.143 0.499 -2.898 1.00 0.00 C ATOM 846 CD PRO A 440 1.265 -0.754 -3.716 1.00 0.00 C ATOM 0 HA PRO A 440 -1.503 -0.828 -2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.513 1.587 -3.691 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.573 1.351 -1.956 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.751 1.298 -3.323 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.500 0.333 -1.882 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.547 -0.532 -4.745 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.028 -1.420 -3.313 1.00 0.00 H new ATOM 854 N ARG A 441 -3.193 -1.106 -3.984 1.00 0.00 N ATOM 855 CA ARG A 441 -4.449 -0.981 -4.697 1.00 0.00 C ATOM 856 C ARG A 441 -5.545 -1.601 -3.851 1.00 0.00 C ATOM 857 O ARG A 441 -5.548 -2.812 -3.633 1.00 0.00 O ATOM 858 CB ARG A 441 -4.423 -1.717 -6.043 1.00 0.00 C ATOM 859 CG ARG A 441 -3.481 -1.156 -7.091 1.00 0.00 C ATOM 860 CD ARG A 441 -3.599 -1.957 -8.375 1.00 0.00 C ATOM 861 NE ARG A 441 -2.729 -1.458 -9.436 1.00 0.00 N ATOM 862 CZ ARG A 441 -2.812 -1.853 -10.706 1.00 0.00 C ATOM 863 NH1 ARG A 441 -3.785 -2.676 -11.087 1.00 0.00 N ATOM 864 NH2 ARG A 441 -1.943 -1.398 -11.598 1.00 0.00 N ATOM 0 H ARG A 441 -3.115 -1.963 -3.437 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.624 0.078 -4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.153 -2.757 -5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.433 -1.717 -6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.718 -0.109 -7.282 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.455 -1.189 -6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -3.354 -2.999 -8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -4.633 -1.934 -8.719 1.00 0.00 H new ATOM 0 HE ARG A 441 -2.018 -0.769 -9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -4.469 -3.006 -10.407 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -3.847 -2.977 -12.060 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -1.212 -0.747 -11.312 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -2.005 -1.699 -12.570 1.00 0.00 H new ATOM 878 N CYS A 442 -6.461 -0.791 -3.367 1.00 0.00 N ATOM 879 CA CYS A 442 -7.574 -1.316 -2.602 1.00 0.00 C ATOM 880 C CYS A 442 -8.634 -1.855 -3.544 1.00 0.00 C ATOM 881 O CYS A 442 -9.668 -1.233 -3.764 1.00 0.00 O ATOM 882 CB CYS A 442 -8.149 -0.246 -1.682 1.00 0.00 C ATOM 883 SG CYS A 442 -7.031 0.214 -0.322 1.00 0.00 S ATOM 0 H CYS A 442 -6.460 0.222 -3.487 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.219 -2.133 -1.974 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.379 0.643 -2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.090 -0.604 -1.264 1.00 0.00 H new ATOM 888 N ILE A 443 -8.354 -3.018 -4.106 1.00 0.00 N ATOM 889 CA ILE A 443 -9.237 -3.636 -5.063 1.00 0.00 C ATOM 890 C ILE A 443 -10.572 -3.992 -4.425 1.00 0.00 C ATOM 891 O ILE A 443 -10.637 -4.436 -3.277 1.00 0.00 O ATOM 892 CB ILE A 443 -8.605 -4.897 -5.685 1.00 0.00 C ATOM 893 CG1 ILE A 443 -8.083 -5.854 -4.607 1.00 0.00 C ATOM 894 CG2 ILE A 443 -7.482 -4.508 -6.638 1.00 0.00 C ATOM 895 CD1 ILE A 443 -7.694 -7.216 -5.138 1.00 0.00 C ATOM 0 H ILE A 443 -7.509 -3.554 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.407 -2.908 -5.857 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.381 -5.419 -6.244 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.218 -5.403 -4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -8.849 -5.978 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -7.044 -5.407 -7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -7.882 -3.880 -7.434 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -6.716 -3.958 -6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -7.334 -7.837 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -8.562 -7.689 -5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -6.905 -7.105 -5.882 1.00 0.00 H new ATOM 907 N ARG A 444 -11.631 -3.763 -5.179 1.00 0.00 N ATOM 908 CA ARG A 444 -12.967 -4.061 -4.755 1.00 0.00 C ATOM 909 C ARG A 444 -13.154 -5.550 -4.593 1.00 0.00 C ATOM 910 O ARG A 444 -12.918 -6.337 -5.513 1.00 0.00 O ATOM 911 CB ARG A 444 -13.937 -3.498 -5.785 1.00 0.00 C ATOM 912 CG ARG A 444 -15.364 -3.848 -5.503 1.00 0.00 C ATOM 913 CD ARG A 444 -16.299 -3.292 -6.561 1.00 0.00 C ATOM 914 NE ARG A 444 -15.989 -3.802 -7.897 1.00 0.00 N ATOM 915 CZ ARG A 444 -16.914 -4.188 -8.769 1.00 0.00 C ATOM 916 NH1 ARG A 444 -18.191 -4.202 -8.406 1.00 0.00 N ATOM 917 NH2 ARG A 444 -16.565 -4.578 -9.991 1.00 0.00 N ATOM 0 H ARG A 444 -11.576 -3.359 -6.114 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.159 -3.603 -3.785 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -13.835 -2.413 -5.816 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -13.666 -3.872 -6.772 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -15.470 -4.932 -5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.648 -3.458 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.327 -3.549 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.234 -2.204 -6.565 1.00 0.00 H new ATOM 0 HE ARG A 444 -15.009 -3.865 -8.174 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -18.456 -3.918 -7.463 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -18.907 -4.497 -9.070 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -15.582 -4.582 -10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -17.280 -4.873 -10.656 1.00 0.00 H new ATOM 931 N VAL A 445 -13.565 -5.906 -3.392 1.00 0.00 N ATOM 932 CA VAL A 445 -13.836 -7.276 -3.024 1.00 0.00 C ATOM 933 C VAL A 445 -14.891 -7.868 -3.943 1.00 0.00 C ATOM 934 O VAL A 445 -14.793 -9.024 -4.358 1.00 0.00 O ATOM 935 CB VAL A 445 -14.328 -7.326 -1.572 1.00 0.00 C ATOM 936 CG1 VAL A 445 -14.715 -8.741 -1.157 1.00 0.00 C ATOM 937 CG2 VAL A 445 -13.271 -6.760 -0.646 1.00 0.00 C ATOM 0 H VAL A 445 -13.721 -5.240 -2.636 1.00 0.00 H new ATOM 0 HA VAL A 445 -12.920 -7.859 -3.120 1.00 0.00 H new ATOM 0 HB VAL A 445 -15.226 -6.713 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -15.058 -8.736 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -15.515 -9.104 -1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -13.849 -9.397 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -13.629 -6.800 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -12.357 -7.347 -0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -13.065 -5.725 -0.919 1.00 0.00 H new ATOM 947 N LYS A 446 -15.889 -7.042 -4.250 1.00 0.00 N ATOM 948 CA LYS A 446 -16.942 -7.384 -5.201 1.00 0.00 C ATOM 949 C LYS A 446 -17.838 -8.474 -4.621 1.00 0.00 C ATOM 950 O LYS A 446 -17.559 -9.673 -4.834 1.00 0.00 O ATOM 951 CB LYS A 446 -16.326 -7.808 -6.550 1.00 0.00 C ATOM 952 CG LYS A 446 -17.287 -7.783 -7.734 1.00 0.00 C ATOM 953 CD LYS A 446 -18.229 -8.986 -7.774 1.00 0.00 C ATOM 954 CE LYS A 446 -17.513 -10.290 -8.125 1.00 0.00 C ATOM 955 NZ LYS A 446 -16.604 -10.760 -7.043 1.00 0.00 N ATOM 956 OXT LYS A 446 -18.819 -8.125 -3.936 1.00 0.00 O ATOM 0 H LYS A 446 -15.990 -6.112 -3.843 1.00 0.00 H new ATOM 0 HA LYS A 446 -17.562 -6.506 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -15.485 -7.151 -6.770 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -15.925 -8.816 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -17.879 -6.868 -7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -16.712 -7.750 -8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -18.714 -9.094 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -19.016 -8.801 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -18.254 -11.062 -8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -16.938 -10.148 -9.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -16.677 -11.794 -6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -15.624 -10.501 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -16.875 -10.314 -6.143 1.00 0.00 H new