USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 457 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 398 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 417 HIS : no HD1:sc= -4.11! C(o=-4.1!,f=-5.2!) USER MOD Single : A 388 LYS NZ :NH3+ -162:sc= -0.0224 (180deg=-0.306) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.519 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -0.302 K(o=-0.3,f=-3.4!) USER MOD Single : A 399 ASN : amide:sc= -0.612! C(o=-0.61!,f=-13!) USER MOD Single : A 400 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 401 ASN : amide:sc= 0.853 K(o=0.85,f=-3.5!) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ -118:sc= -0.0547 (180deg=-0.688) USER MOD Single : A 408 GLN : amide:sc= -4.87! C(o=-4.9!,f=-3.5!) USER MOD Single : A 410 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 411 SER OG : rot 180:sc= -0.414 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= -0.951 K(o=-0.95,f=0) USER MOD Single : A 427 THR OG1 : rot -27:sc= 0.478 USER MOD Single : A 428 THR OG1 : rot 180:sc= 0.00522 USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl 154:sc= -0.236 (180deg=-1.16) USER MOD Single : A 434 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.42) USER MOD Single : A 437 SER OG : rot 180:sc= -2.05! USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 387 16.025 -1.199 -1.825 1.00 0.00 N ATOM 21 CA ARG A 387 15.308 -0.403 -2.804 1.00 0.00 C ATOM 22 C ARG A 387 14.429 0.621 -2.087 1.00 0.00 C ATOM 23 O ARG A 387 14.139 0.477 -0.898 1.00 0.00 O ATOM 24 CB ARG A 387 14.495 -1.314 -3.731 1.00 0.00 C ATOM 25 CG ARG A 387 13.014 -1.345 -3.431 1.00 0.00 C ATOM 26 CD ARG A 387 12.268 -0.345 -4.302 1.00 0.00 C ATOM 27 NE ARG A 387 10.845 -0.258 -4.009 1.00 0.00 N ATOM 28 CZ ARG A 387 10.007 0.536 -4.682 1.00 0.00 C ATOM 29 NH1 ARG A 387 10.460 1.292 -5.673 1.00 0.00 N ATOM 30 NH2 ARG A 387 8.722 0.578 -4.358 1.00 0.00 N ATOM 0 HA ARG A 387 16.015 0.144 -3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 387 14.638 -0.986 -4.761 1.00 0.00 H new ATOM 0 HB3 ARG A 387 14.889 -2.328 -3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 387 12.624 -2.348 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 387 12.846 -1.115 -2.379 1.00 0.00 H new ATOM 0 HD2 ARG A 387 12.717 0.640 -4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 387 12.398 -0.621 -5.348 1.00 0.00 H new ATOM 0 HE ARG A 387 10.469 -0.831 -3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 387 11.449 1.268 -5.922 1.00 0.00 H new ATOM 0 HH12 ARG A 387 9.820 1.898 -6.186 1.00 0.00 H new ATOM 0 HH21 ARG A 387 8.370 0.003 -3.593 1.00 0.00 H new ATOM 0 HH22 ARG A 387 8.086 1.185 -4.874 1.00 0.00 H new ATOM 44 N LYS A 388 13.996 1.638 -2.811 1.00 0.00 N ATOM 45 CA LYS A 388 13.327 2.773 -2.192 1.00 0.00 C ATOM 46 C LYS A 388 11.877 2.895 -2.646 1.00 0.00 C ATOM 47 O LYS A 388 11.598 3.257 -3.787 1.00 0.00 O ATOM 48 CB LYS A 388 14.089 4.069 -2.492 1.00 0.00 C ATOM 49 CG LYS A 388 14.593 4.185 -3.928 1.00 0.00 C ATOM 50 CD LYS A 388 15.899 3.423 -4.139 1.00 0.00 C ATOM 51 CE LYS A 388 17.066 4.120 -3.461 1.00 0.00 C ATOM 52 NZ LYS A 388 17.355 5.442 -4.078 1.00 0.00 N ATOM 0 H LYS A 388 14.094 1.703 -3.824 1.00 0.00 H new ATOM 0 HA LYS A 388 13.321 2.602 -1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.438 4.917 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 388 14.940 4.142 -1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 388 13.835 3.801 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.742 5.236 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.799 2.412 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.099 3.331 -5.206 1.00 0.00 H new ATOM 0 HE2 LYS A 388 16.844 4.254 -2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.952 3.488 -3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.313 5.747 -3.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 17.291 5.363 -5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 16.663 6.141 -3.740 1.00 0.00 H new ATOM 66 N CYS A 389 10.962 2.580 -1.741 1.00 0.00 N ATOM 67 CA CYS A 389 9.539 2.695 -2.017 1.00 0.00 C ATOM 68 C CYS A 389 9.027 4.097 -1.712 1.00 0.00 C ATOM 69 O CYS A 389 9.480 4.745 -0.764 1.00 0.00 O ATOM 70 CB CYS A 389 8.743 1.692 -1.178 1.00 0.00 C ATOM 71 SG CYS A 389 9.204 -0.048 -1.438 1.00 0.00 S ATOM 0 H CYS A 389 11.182 2.241 -0.805 1.00 0.00 H new ATOM 0 HA CYS A 389 9.400 2.485 -3.078 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.874 1.935 -0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.683 1.811 -1.403 1.00 0.00 H new ATOM 76 N TYR A 390 8.092 4.554 -2.530 1.00 0.00 N ATOM 77 CA TYR A 390 7.347 5.770 -2.264 1.00 0.00 C ATOM 78 C TYR A 390 5.862 5.433 -2.320 1.00 0.00 C ATOM 79 O TYR A 390 5.374 4.942 -3.341 1.00 0.00 O ATOM 80 CB TYR A 390 7.700 6.849 -3.293 1.00 0.00 C ATOM 81 CG TYR A 390 7.134 8.219 -2.984 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.679 9.001 -1.976 1.00 0.00 C ATOM 83 CD2 TYR A 390 6.070 8.737 -3.712 1.00 0.00 C ATOM 84 CE1 TYR A 390 7.181 10.258 -1.698 1.00 0.00 C ATOM 85 CE2 TYR A 390 5.563 9.994 -3.438 1.00 0.00 C ATOM 86 CZ TYR A 390 6.124 10.750 -2.432 1.00 0.00 C ATOM 87 OH TYR A 390 5.630 12.007 -2.161 1.00 0.00 O ATOM 0 H TYR A 390 7.829 4.089 -3.399 1.00 0.00 H new ATOM 0 HA TYR A 390 7.602 6.162 -1.279 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.785 6.925 -3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.339 6.532 -4.271 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.508 8.619 -1.398 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.632 8.149 -4.505 1.00 0.00 H new ATOM 0 HE1 TYR A 390 7.618 10.853 -0.909 1.00 0.00 H new ATOM 0 HE2 TYR A 390 4.732 10.381 -4.009 1.00 0.00 H new ATOM 0 HH TYR A 390 4.886 12.204 -2.768 1.00 0.00 H new ATOM 97 N PHE A 391 5.160 5.647 -1.219 1.00 0.00 N ATOM 98 CA PHE A 391 3.761 5.254 -1.129 1.00 0.00 C ATOM 99 C PHE A 391 2.900 6.144 -2.020 1.00 0.00 C ATOM 100 O PHE A 391 2.847 7.362 -1.832 1.00 0.00 O ATOM 101 CB PHE A 391 3.273 5.313 0.317 1.00 0.00 C ATOM 102 CG PHE A 391 2.000 4.546 0.548 1.00 0.00 C ATOM 103 CD1 PHE A 391 0.765 5.152 0.389 1.00 0.00 C ATOM 104 CD2 PHE A 391 2.044 3.212 0.921 1.00 0.00 C ATOM 105 CE1 PHE A 391 -0.400 4.445 0.598 1.00 0.00 C ATOM 106 CE2 PHE A 391 0.880 2.500 1.131 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.343 3.117 0.969 1.00 0.00 C ATOM 0 H PHE A 391 5.533 6.088 -0.378 1.00 0.00 H new ATOM 0 HA PHE A 391 3.672 4.225 -1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.050 4.919 0.972 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.117 6.355 0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.714 6.191 0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 391 2.999 2.724 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -1.357 4.930 0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 391 0.927 1.461 1.422 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.255 2.562 1.132 1.00 0.00 H new ATOM 117 N PRO A 392 2.225 5.535 -3.006 1.00 0.00 N ATOM 118 CA PRO A 392 1.453 6.255 -4.004 1.00 0.00 C ATOM 119 C PRO A 392 -0.002 6.476 -3.605 1.00 0.00 C ATOM 120 O PRO A 392 -0.428 6.134 -2.501 1.00 0.00 O ATOM 121 CB PRO A 392 1.544 5.325 -5.210 1.00 0.00 C ATOM 122 CG PRO A 392 1.610 3.948 -4.630 1.00 0.00 C ATOM 123 CD PRO A 392 2.156 4.081 -3.226 1.00 0.00 C ATOM 0 HA PRO A 392 1.834 7.263 -4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.678 5.438 -5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 392 2.427 5.543 -5.811 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.622 3.488 -4.617 1.00 0.00 H new ATOM 0 HG3 PRO A 392 2.252 3.306 -5.234 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.505 3.598 -2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.138 3.617 -3.134 1.00 0.00 H new ATOM 131 N TYR A 393 -0.755 7.049 -4.534 1.00 0.00 N ATOM 132 CA TYR A 393 -2.124 7.462 -4.283 1.00 0.00 C ATOM 133 C TYR A 393 -3.115 6.356 -4.623 1.00 0.00 C ATOM 134 O TYR A 393 -3.226 5.933 -5.775 1.00 0.00 O ATOM 135 CB TYR A 393 -2.438 8.720 -5.101 1.00 0.00 C ATOM 136 CG TYR A 393 -3.876 9.181 -5.005 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.339 9.842 -3.876 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.769 8.955 -6.046 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.652 10.264 -3.786 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.081 9.374 -5.963 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.518 10.028 -4.832 1.00 0.00 C ATOM 142 OH TYR A 393 -7.826 10.447 -4.749 1.00 0.00 O ATOM 0 H TYR A 393 -0.431 7.240 -5.482 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.224 7.679 -3.220 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.786 9.528 -4.768 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.199 8.528 -6.147 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.663 10.030 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.430 8.443 -6.935 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.998 10.776 -2.900 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.762 9.190 -6.781 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.300 10.203 -5.571 1.00 0.00 H new ATOM 152 N LEU A 394 -3.826 5.890 -3.610 1.00 0.00 N ATOM 153 CA LEU A 394 -4.925 4.965 -3.808 1.00 0.00 C ATOM 154 C LEU A 394 -6.110 5.720 -4.379 1.00 0.00 C ATOM 155 O LEU A 394 -6.639 6.636 -3.745 1.00 0.00 O ATOM 156 CB LEU A 394 -5.330 4.283 -2.494 1.00 0.00 C ATOM 157 CG LEU A 394 -4.349 3.240 -1.948 1.00 0.00 C ATOM 158 CD1 LEU A 394 -4.015 2.214 -3.017 1.00 0.00 C ATOM 159 CD2 LEU A 394 -3.084 3.895 -1.416 1.00 0.00 C ATOM 0 H LEU A 394 -3.658 6.141 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.602 4.188 -4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.469 5.054 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.297 3.802 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.832 2.729 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -3.317 1.481 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -4.927 1.710 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.560 2.714 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.409 3.128 -1.036 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -2.593 4.444 -2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -3.342 4.583 -0.611 1.00 0.00 H new ATOM 171 N GLU A 395 -6.506 5.328 -5.580 1.00 0.00 N ATOM 172 CA GLU A 395 -7.571 5.993 -6.318 1.00 0.00 C ATOM 173 C GLU A 395 -8.882 5.993 -5.533 1.00 0.00 C ATOM 174 O GLU A 395 -9.724 6.873 -5.710 1.00 0.00 O ATOM 175 CB GLU A 395 -7.743 5.295 -7.666 1.00 0.00 C ATOM 176 CG GLU A 395 -8.788 5.918 -8.569 1.00 0.00 C ATOM 177 CD GLU A 395 -8.700 5.385 -9.979 1.00 0.00 C ATOM 178 OE1 GLU A 395 -7.941 5.959 -10.787 1.00 0.00 O ATOM 179 OE2 GLU A 395 -9.373 4.382 -10.284 1.00 0.00 O ATOM 0 H GLU A 395 -6.096 4.535 -6.074 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.298 7.036 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -6.785 5.296 -8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.009 4.253 -7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -9.781 5.719 -8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -8.660 7.000 -8.581 1.00 0.00 H new ATOM 186 N ASN A 396 -9.040 5.007 -4.664 1.00 0.00 N ATOM 187 CA ASN A 396 -10.226 4.898 -3.824 1.00 0.00 C ATOM 188 C ASN A 396 -9.837 4.538 -2.394 1.00 0.00 C ATOM 189 O ASN A 396 -10.513 3.756 -1.722 1.00 0.00 O ATOM 190 CB ASN A 396 -11.194 3.866 -4.407 1.00 0.00 C ATOM 191 CG ASN A 396 -10.497 2.594 -4.853 1.00 0.00 C ATOM 192 OD1 ASN A 396 -9.505 2.167 -4.263 1.00 0.00 O ATOM 193 ND2 ASN A 396 -11.003 1.994 -5.916 1.00 0.00 N ATOM 0 H ASN A 396 -8.356 4.264 -4.520 1.00 0.00 H new ATOM 0 HA ASN A 396 -10.730 5.864 -3.801 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -11.948 3.619 -3.660 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.718 4.305 -5.256 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -10.570 1.144 -6.276 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -11.827 2.381 -6.376 1.00 0.00 H new ATOM 200 N GLY A 397 -8.736 5.121 -1.938 1.00 0.00 N ATOM 201 CA GLY A 397 -8.273 4.888 -0.586 1.00 0.00 C ATOM 202 C GLY A 397 -8.113 6.186 0.174 1.00 0.00 C ATOM 203 O GLY A 397 -8.143 7.263 -0.420 1.00 0.00 O ATOM 0 H GLY A 397 -8.153 5.755 -2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.980 4.244 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.320 4.360 -0.612 1.00 0.00 H new ATOM 207 N TYR A 398 -7.927 6.092 1.482 1.00 0.00 N ATOM 208 CA TYR A 398 -7.840 7.276 2.328 1.00 0.00 C ATOM 209 C TYR A 398 -6.415 7.817 2.413 1.00 0.00 C ATOM 210 O TYR A 398 -6.188 8.869 3.004 1.00 0.00 O ATOM 211 CB TYR A 398 -8.375 6.956 3.722 1.00 0.00 C ATOM 212 CG TYR A 398 -9.880 6.811 3.751 1.00 0.00 C ATOM 213 CD1 TYR A 398 -10.700 7.922 3.918 1.00 0.00 C ATOM 214 CD2 TYR A 398 -10.483 5.568 3.598 1.00 0.00 C ATOM 215 CE1 TYR A 398 -12.077 7.796 3.929 1.00 0.00 C ATOM 216 CE2 TYR A 398 -11.859 5.437 3.611 1.00 0.00 C ATOM 217 CZ TYR A 398 -12.649 6.554 3.776 1.00 0.00 C ATOM 218 OH TYR A 398 -14.021 6.424 3.784 1.00 0.00 O ATOM 0 H TYR A 398 -7.833 5.208 1.982 1.00 0.00 H new ATOM 0 HA TYR A 398 -8.452 8.056 1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.918 6.033 4.079 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -8.077 7.746 4.411 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -10.254 8.898 4.041 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.867 4.691 3.467 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -12.701 8.668 4.057 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -12.313 4.464 3.492 1.00 0.00 H new ATOM 0 HH TYR A 398 -14.261 5.482 3.663 1.00 0.00 H new ATOM 228 N ASN A 399 -5.474 7.091 1.808 1.00 0.00 N ATOM 229 CA ASN A 399 -4.092 7.563 1.624 1.00 0.00 C ATOM 230 C ASN A 399 -3.509 8.226 2.861 1.00 0.00 C ATOM 231 O ASN A 399 -2.913 9.299 2.770 1.00 0.00 O ATOM 232 CB ASN A 399 -4.000 8.546 0.455 1.00 0.00 C ATOM 233 CG ASN A 399 -4.272 7.893 -0.874 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.369 7.354 -1.495 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.517 7.936 -1.320 1.00 0.00 N ATOM 0 H ASN A 399 -5.644 6.159 1.430 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.507 6.667 1.417 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -4.712 9.356 0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.006 8.994 0.439 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.753 7.508 -2.215 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -6.241 8.397 -0.768 1.00 0.00 H new ATOM 242 N GLN A 400 -3.664 7.586 4.009 1.00 0.00 N ATOM 243 CA GLN A 400 -3.102 8.099 5.249 1.00 0.00 C ATOM 244 C GLN A 400 -1.573 8.095 5.202 1.00 0.00 C ATOM 245 O GLN A 400 -0.919 8.748 6.009 1.00 0.00 O ATOM 246 CB GLN A 400 -3.588 7.256 6.426 1.00 0.00 C ATOM 247 CG GLN A 400 -5.099 7.225 6.572 1.00 0.00 C ATOM 248 CD GLN A 400 -5.552 6.313 7.694 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.883 5.328 8.020 1.00 0.00 O ATOM 250 NE2 GLN A 400 -6.692 6.622 8.292 1.00 0.00 N ATOM 0 H GLN A 400 -4.175 6.709 4.108 1.00 0.00 H new ATOM 0 HA GLN A 400 -3.437 9.128 5.376 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -3.222 6.236 6.306 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -3.151 7.646 7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -5.464 8.235 6.758 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -5.545 6.893 5.635 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -7.217 7.444 7.995 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -7.045 6.038 9.050 1.00 0.00 H new ATOM 259 N ASN A 401 -1.011 7.367 4.240 1.00 0.00 N ATOM 260 CA ASN A 401 0.436 7.196 4.152 1.00 0.00 C ATOM 261 C ASN A 401 0.994 7.665 2.813 1.00 0.00 C ATOM 262 O ASN A 401 2.149 7.387 2.494 1.00 0.00 O ATOM 263 CB ASN A 401 0.804 5.726 4.375 1.00 0.00 C ATOM 264 CG ASN A 401 0.625 5.296 5.817 1.00 0.00 C ATOM 265 OD1 ASN A 401 0.951 6.038 6.742 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.084 4.107 6.022 1.00 0.00 N ATOM 0 H ASN A 401 -1.537 6.886 3.510 1.00 0.00 H new ATOM 0 HA ASN A 401 0.882 7.815 4.930 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.186 5.099 3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 401 1.840 5.565 4.077 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.076 3.777 6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -0.173 3.520 5.228 1.00 0.00 H new ATOM 273 N TYR A 402 0.192 8.375 2.030 1.00 0.00 N ATOM 274 CA TYR A 402 0.663 8.863 0.739 1.00 0.00 C ATOM 275 C TYR A 402 1.719 9.944 0.926 1.00 0.00 C ATOM 276 O TYR A 402 1.521 10.898 1.682 1.00 0.00 O ATOM 277 CB TYR A 402 -0.498 9.376 -0.120 1.00 0.00 C ATOM 278 CG TYR A 402 -0.052 10.161 -1.335 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.500 9.517 -2.432 1.00 0.00 C ATOM 280 CD2 TYR A 402 -0.178 11.544 -1.383 1.00 0.00 C ATOM 281 CE1 TYR A 402 0.915 10.223 -3.543 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.234 12.259 -2.492 1.00 0.00 C ATOM 283 CZ TYR A 402 0.780 11.593 -3.567 1.00 0.00 C ATOM 284 OH TYR A 402 1.190 12.298 -4.676 1.00 0.00 O ATOM 0 H TYR A 402 -0.770 8.623 2.259 1.00 0.00 H new ATOM 0 HA TYR A 402 1.119 8.026 0.211 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -1.100 8.528 -0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -1.142 10.006 0.493 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.607 8.442 -2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -0.604 12.068 -0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 402 1.343 9.704 -4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 402 0.128 13.334 -2.515 1.00 0.00 H new ATOM 0 HH TYR A 402 1.026 13.254 -4.535 1.00 0.00 H new ATOM 294 N GLY A 403 2.844 9.775 0.245 1.00 0.00 N ATOM 295 CA GLY A 403 3.930 10.726 0.353 1.00 0.00 C ATOM 296 C GLY A 403 5.042 10.224 1.249 1.00 0.00 C ATOM 297 O GLY A 403 5.972 10.963 1.571 1.00 0.00 O ATOM 0 H GLY A 403 3.023 8.992 -0.383 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.330 10.932 -0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.548 11.669 0.744 1.00 0.00 H new ATOM 301 N ARG A 404 4.952 8.964 1.649 1.00 0.00 N ATOM 302 CA ARG A 404 5.957 8.372 2.519 1.00 0.00 C ATOM 303 C ARG A 404 6.964 7.550 1.741 1.00 0.00 C ATOM 304 O ARG A 404 6.663 7.004 0.678 1.00 0.00 O ATOM 305 CB ARG A 404 5.307 7.497 3.584 1.00 0.00 C ATOM 306 CG ARG A 404 4.577 8.295 4.642 1.00 0.00 C ATOM 307 CD ARG A 404 4.000 7.400 5.721 1.00 0.00 C ATOM 308 NE ARG A 404 5.031 6.705 6.493 1.00 0.00 N ATOM 309 CZ ARG A 404 4.769 5.860 7.494 1.00 0.00 C ATOM 310 NH1 ARG A 404 3.514 5.597 7.841 1.00 0.00 N ATOM 311 NH2 ARG A 404 5.768 5.285 8.149 1.00 0.00 N ATOM 0 H ARG A 404 4.195 8.333 1.386 1.00 0.00 H new ATOM 0 HA ARG A 404 6.483 9.197 2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.606 6.812 3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.073 6.887 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.262 9.013 5.093 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.775 8.868 4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.390 8.000 6.396 1.00 0.00 H new ATOM 0 HD3 ARG A 404 3.339 6.665 5.262 1.00 0.00 H new ATOM 0 HE ARG A 404 6.007 6.876 6.253 1.00 0.00 H new ATOM 0 HH11 ARG A 404 2.743 6.041 7.342 1.00 0.00 H new ATOM 0 HH12 ARG A 404 3.321 4.951 8.606 1.00 0.00 H new ATOM 0 HH21 ARG A 404 6.733 5.488 7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 404 5.572 4.639 8.914 1.00 0.00 H new ATOM 325 N LYS A 405 8.156 7.466 2.295 1.00 0.00 N ATOM 326 CA LYS A 405 9.231 6.695 1.710 1.00 0.00 C ATOM 327 C LYS A 405 9.631 5.558 2.633 1.00 0.00 C ATOM 328 O LYS A 405 9.632 5.704 3.858 1.00 0.00 O ATOM 329 CB LYS A 405 10.431 7.589 1.441 1.00 0.00 C ATOM 330 CG LYS A 405 10.198 8.606 0.339 1.00 0.00 C ATOM 331 CD LYS A 405 11.319 9.633 0.242 1.00 0.00 C ATOM 332 CE LYS A 405 12.673 8.990 -0.033 1.00 0.00 C ATOM 333 NZ LYS A 405 13.410 8.655 1.218 1.00 0.00 N ATOM 0 H LYS A 405 8.406 7.933 3.167 1.00 0.00 H new ATOM 0 HA LYS A 405 8.882 6.275 0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.695 8.115 2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 405 11.285 6.966 1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 405 10.102 8.087 -0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 405 9.254 9.120 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.089 10.344 -0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.371 10.199 1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 405 12.528 8.083 -0.620 1.00 0.00 H new ATOM 0 HE3 LYS A 405 13.277 9.667 -0.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 14.300 9.192 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.826 8.902 2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 13.620 7.637 1.235 1.00 0.00 H new ATOM 347 N PHE A 406 9.971 4.431 2.038 1.00 0.00 N ATOM 348 CA PHE A 406 10.326 3.237 2.790 1.00 0.00 C ATOM 349 C PHE A 406 11.478 2.512 2.114 1.00 0.00 C ATOM 350 O PHE A 406 11.657 2.610 0.898 1.00 0.00 O ATOM 351 CB PHE A 406 9.126 2.286 2.893 1.00 0.00 C ATOM 352 CG PHE A 406 7.917 2.881 3.559 1.00 0.00 C ATOM 353 CD1 PHE A 406 7.756 2.800 4.931 1.00 0.00 C ATOM 354 CD2 PHE A 406 6.941 3.518 2.810 1.00 0.00 C ATOM 355 CE1 PHE A 406 6.645 3.345 5.544 1.00 0.00 C ATOM 356 CE2 PHE A 406 5.829 4.064 3.416 1.00 0.00 C ATOM 357 CZ PHE A 406 5.680 3.977 4.784 1.00 0.00 C ATOM 0 H PHE A 406 10.010 4.314 1.025 1.00 0.00 H new ATOM 0 HA PHE A 406 10.626 3.546 3.791 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.850 1.960 1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.429 1.397 3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 406 8.507 2.305 5.529 1.00 0.00 H new ATOM 0 HD2 PHE A 406 7.052 3.588 1.738 1.00 0.00 H new ATOM 0 HE1 PHE A 406 6.531 3.277 6.616 1.00 0.00 H new ATOM 0 HE2 PHE A 406 5.076 4.559 2.820 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.810 4.403 5.261 1.00 0.00 H new ATOM 367 N VAL A 407 12.268 1.814 2.907 1.00 0.00 N ATOM 368 CA VAL A 407 13.286 0.921 2.380 1.00 0.00 C ATOM 369 C VAL A 407 12.716 -0.490 2.282 1.00 0.00 C ATOM 370 O VAL A 407 11.811 -0.850 3.037 1.00 0.00 O ATOM 371 CB VAL A 407 14.559 0.914 3.255 1.00 0.00 C ATOM 372 CG1 VAL A 407 15.205 2.291 3.263 1.00 0.00 C ATOM 373 CG2 VAL A 407 14.246 0.460 4.674 1.00 0.00 C ATOM 0 H VAL A 407 12.225 1.848 3.926 1.00 0.00 H new ATOM 0 HA VAL A 407 13.572 1.281 1.392 1.00 0.00 H new ATOM 0 HB VAL A 407 15.263 0.202 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 407 16.101 2.269 3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.476 2.572 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.502 3.020 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 407 15.160 0.465 5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 407 13.520 1.139 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.834 -0.549 4.651 1.00 0.00 H new ATOM 383 N GLN A 408 13.220 -1.268 1.333 1.00 0.00 N ATOM 384 CA GLN A 408 12.704 -2.615 1.097 1.00 0.00 C ATOM 385 C GLN A 408 12.909 -3.505 2.316 1.00 0.00 C ATOM 386 O GLN A 408 13.964 -3.484 2.956 1.00 0.00 O ATOM 387 CB GLN A 408 13.364 -3.236 -0.131 1.00 0.00 C ATOM 388 CG GLN A 408 12.921 -4.667 -0.418 1.00 0.00 C ATOM 389 CD GLN A 408 13.711 -5.317 -1.536 1.00 0.00 C ATOM 390 OE1 GLN A 408 13.897 -6.530 -1.552 1.00 0.00 O ATOM 391 NE2 GLN A 408 14.169 -4.517 -2.487 1.00 0.00 N ATOM 0 H GLN A 408 13.983 -0.993 0.715 1.00 0.00 H new ATOM 0 HA GLN A 408 11.633 -2.534 0.914 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.144 -2.617 -1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.445 -3.222 0.005 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.026 -5.263 0.488 1.00 0.00 H new ATOM 0 HG3 GLN A 408 11.863 -4.669 -0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.993 -3.513 -2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.697 -4.904 -3.269 1.00 0.00 H new ATOM 400 N GLY A 409 11.889 -4.291 2.619 1.00 0.00 N ATOM 401 CA GLY A 409 11.898 -5.103 3.814 1.00 0.00 C ATOM 402 C GLY A 409 10.988 -4.508 4.857 1.00 0.00 C ATOM 403 O GLY A 409 11.022 -4.873 6.034 1.00 0.00 O ATOM 0 H GLY A 409 11.047 -4.381 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.575 -6.117 3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.913 -5.175 4.205 1.00 0.00 H new ATOM 407 N LYS A 410 10.164 -3.582 4.406 1.00 0.00 N ATOM 408 CA LYS A 410 9.254 -2.861 5.268 1.00 0.00 C ATOM 409 C LYS A 410 7.824 -3.117 4.843 1.00 0.00 C ATOM 410 O LYS A 410 7.573 -3.548 3.725 1.00 0.00 O ATOM 411 CB LYS A 410 9.555 -1.368 5.187 1.00 0.00 C ATOM 412 CG LYS A 410 10.281 -0.827 6.405 1.00 0.00 C ATOM 413 CD LYS A 410 9.378 -0.810 7.626 1.00 0.00 C ATOM 414 CE LYS A 410 8.276 0.233 7.491 1.00 0.00 C ATOM 415 NZ LYS A 410 7.422 0.306 8.706 1.00 0.00 N ATOM 0 H LYS A 410 10.109 -3.309 3.425 1.00 0.00 H new ATOM 0 HA LYS A 410 9.384 -3.204 6.294 1.00 0.00 H new ATOM 0 HB2 LYS A 410 10.158 -1.175 4.300 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.619 -0.824 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.159 -1.439 6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.637 0.183 6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 410 8.933 -1.795 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.972 -0.601 8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 410 8.723 1.209 7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 410 7.656 -0.005 6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 6.686 1.028 8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 6.974 -0.618 8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 8.008 0.559 9.527 1.00 0.00 H new ATOM 429 N SER A 411 6.894 -2.852 5.730 1.00 0.00 N ATOM 430 CA SER A 411 5.490 -2.989 5.410 1.00 0.00 C ATOM 431 C SER A 411 4.749 -1.740 5.854 1.00 0.00 C ATOM 432 O SER A 411 5.290 -0.917 6.601 1.00 0.00 O ATOM 433 CB SER A 411 4.913 -4.244 6.071 1.00 0.00 C ATOM 434 OG SER A 411 3.541 -4.423 5.760 1.00 0.00 O ATOM 0 H SER A 411 7.084 -2.539 6.682 1.00 0.00 H new ATOM 0 HA SER A 411 5.369 -3.100 4.332 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.476 -5.118 5.744 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.034 -4.173 7.152 1.00 0.00 H new ATOM 0 HG SER A 411 3.209 -5.234 6.198 1.00 0.00 H new ATOM 440 N ILE A 412 3.529 -1.587 5.382 1.00 0.00 N ATOM 441 CA ILE A 412 2.735 -0.417 5.701 1.00 0.00 C ATOM 442 C ILE A 412 1.250 -0.718 5.556 1.00 0.00 C ATOM 443 O ILE A 412 0.838 -1.491 4.691 1.00 0.00 O ATOM 444 CB ILE A 412 3.134 0.782 4.807 1.00 0.00 C ATOM 445 CG1 ILE A 412 2.489 2.071 5.313 1.00 0.00 C ATOM 446 CG2 ILE A 412 2.752 0.532 3.357 1.00 0.00 C ATOM 447 CD1 ILE A 412 2.926 2.455 6.712 1.00 0.00 C ATOM 0 H ILE A 412 3.064 -2.261 4.774 1.00 0.00 H new ATOM 0 HA ILE A 412 2.933 -0.149 6.739 1.00 0.00 H new ATOM 0 HB ILE A 412 4.217 0.893 4.859 1.00 0.00 H new ATOM 0 HG12 ILE A 412 2.733 2.883 4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 412 1.405 1.956 5.298 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.044 1.390 2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.264 -0.359 2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.674 0.386 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 412 2.430 3.379 7.007 1.00 0.00 H new ATOM 0 HD12 ILE A 412 2.657 1.660 7.408 1.00 0.00 H new ATOM 0 HD13 ILE A 412 4.006 2.602 6.728 1.00 0.00 H new ATOM 459 N ASP A 413 0.462 -0.122 6.434 1.00 0.00 N ATOM 460 CA ASP A 413 -0.977 -0.333 6.466 1.00 0.00 C ATOM 461 C ASP A 413 -1.681 0.582 5.474 1.00 0.00 C ATOM 462 O ASP A 413 -1.270 1.728 5.277 1.00 0.00 O ATOM 463 CB ASP A 413 -1.485 -0.079 7.885 1.00 0.00 C ATOM 464 CG ASP A 413 -2.998 0.017 7.980 1.00 0.00 C ATOM 465 OD1 ASP A 413 -3.535 1.137 7.828 1.00 0.00 O ATOM 466 OD2 ASP A 413 -3.653 -1.015 8.228 1.00 0.00 O ATOM 0 H ASP A 413 0.802 0.524 7.147 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.196 -1.361 6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.139 -0.882 8.535 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.046 0.846 8.259 1.00 0.00 H new ATOM 471 N VAL A 414 -2.729 0.070 4.843 1.00 0.00 N ATOM 472 CA VAL A 414 -3.478 0.836 3.859 1.00 0.00 C ATOM 473 C VAL A 414 -4.963 0.851 4.197 1.00 0.00 C ATOM 474 O VAL A 414 -5.573 -0.197 4.423 1.00 0.00 O ATOM 475 CB VAL A 414 -3.290 0.266 2.437 1.00 0.00 C ATOM 476 CG1 VAL A 414 -4.013 1.123 1.410 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.815 0.153 2.099 1.00 0.00 C ATOM 0 H VAL A 414 -3.080 -0.875 4.996 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.089 1.854 3.885 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.726 -0.733 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.866 0.701 0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.078 1.146 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.614 2.137 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.702 -0.251 1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.354 1.139 2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.328 -0.511 2.813 1.00 0.00 H new ATOM 487 N ALA A 415 -5.533 2.045 4.251 1.00 0.00 N ATOM 488 CA ALA A 415 -6.957 2.205 4.486 1.00 0.00 C ATOM 489 C ALA A 415 -7.700 2.398 3.169 1.00 0.00 C ATOM 490 O ALA A 415 -7.773 3.512 2.639 1.00 0.00 O ATOM 491 CB ALA A 415 -7.211 3.383 5.418 1.00 0.00 C ATOM 0 H ALA A 415 -5.026 2.922 4.134 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.332 1.298 4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.283 3.490 5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.711 3.208 6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.821 4.295 4.966 1.00 0.00 H new ATOM 497 N CYS A 416 -8.220 1.308 2.628 1.00 0.00 N ATOM 498 CA CYS A 416 -9.037 1.366 1.428 1.00 0.00 C ATOM 499 C CYS A 416 -10.483 1.619 1.822 1.00 0.00 C ATOM 500 O CYS A 416 -10.925 1.163 2.878 1.00 0.00 O ATOM 501 CB CYS A 416 -8.926 0.053 0.650 1.00 0.00 C ATOM 502 SG CYS A 416 -7.210 -0.482 0.339 1.00 0.00 S ATOM 0 H CYS A 416 -8.090 0.369 3.003 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.686 2.176 0.789 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.445 -0.730 1.203 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.440 0.164 -0.305 1.00 0.00 H new ATOM 507 N HIS A 417 -11.210 2.362 0.994 1.00 0.00 N ATOM 508 CA HIS A 417 -12.613 2.656 1.271 1.00 0.00 C ATOM 509 C HIS A 417 -13.427 1.375 1.379 1.00 0.00 C ATOM 510 O HIS A 417 -13.184 0.397 0.679 1.00 0.00 O ATOM 511 CB HIS A 417 -13.185 3.602 0.202 1.00 0.00 C ATOM 512 CG HIS A 417 -14.686 3.620 0.037 1.00 0.00 C ATOM 513 ND1 HIS A 417 -15.510 4.515 0.684 1.00 0.00 N ATOM 514 CD2 HIS A 417 -15.502 2.862 -0.738 1.00 0.00 C ATOM 515 CE1 HIS A 417 -16.760 4.309 0.316 1.00 0.00 C ATOM 516 NE2 HIS A 417 -16.782 3.312 -0.547 1.00 0.00 N ATOM 0 H HIS A 417 -10.854 2.770 0.130 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.677 3.163 2.234 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -12.857 4.615 0.435 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -12.742 3.337 -0.758 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -15.199 2.053 -1.386 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -17.620 4.863 0.663 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -17.616 2.937 -0.999 1.00 0.00 H new ATOM 525 N PRO A 418 -14.400 1.421 2.283 1.00 0.00 N ATOM 526 CA PRO A 418 -15.303 0.316 2.616 1.00 0.00 C ATOM 527 C PRO A 418 -15.848 -0.392 1.381 1.00 0.00 C ATOM 528 O PRO A 418 -16.700 0.138 0.664 1.00 0.00 O ATOM 529 CB PRO A 418 -16.423 1.025 3.373 1.00 0.00 C ATOM 530 CG PRO A 418 -15.751 2.178 4.024 1.00 0.00 C ATOM 531 CD PRO A 418 -14.703 2.627 3.050 1.00 0.00 C ATOM 0 HA PRO A 418 -14.806 -0.472 3.182 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.213 1.354 2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -16.885 0.367 4.108 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.460 2.978 4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.305 1.888 4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.070 3.428 2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -13.819 3.009 3.561 1.00 0.00 H new ATOM 539 N GLY A 419 -15.344 -1.591 1.147 1.00 0.00 N ATOM 540 CA GLY A 419 -15.696 -2.335 -0.043 1.00 0.00 C ATOM 541 C GLY A 419 -14.463 -2.741 -0.816 1.00 0.00 C ATOM 542 O GLY A 419 -14.508 -3.634 -1.666 1.00 0.00 O ATOM 0 H GLY A 419 -14.690 -2.068 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.264 -3.223 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.343 -1.728 -0.677 1.00 0.00 H new ATOM 546 N TYR A 420 -13.355 -2.079 -0.517 1.00 0.00 N ATOM 547 CA TYR A 420 -12.092 -2.363 -1.171 1.00 0.00 C ATOM 548 C TYR A 420 -11.114 -3.023 -0.211 1.00 0.00 C ATOM 549 O TYR A 420 -11.156 -2.789 0.999 1.00 0.00 O ATOM 550 CB TYR A 420 -11.481 -1.081 -1.726 1.00 0.00 C ATOM 551 CG TYR A 420 -12.345 -0.402 -2.763 1.00 0.00 C ATOM 552 CD1 TYR A 420 -12.636 -1.027 -3.968 1.00 0.00 C ATOM 553 CD2 TYR A 420 -12.875 0.861 -2.537 1.00 0.00 C ATOM 554 CE1 TYR A 420 -13.427 -0.413 -4.918 1.00 0.00 C ATOM 555 CE2 TYR A 420 -13.668 1.481 -3.482 1.00 0.00 C ATOM 556 CZ TYR A 420 -13.939 0.841 -4.670 1.00 0.00 C ATOM 557 OH TYR A 420 -14.732 1.456 -5.612 1.00 0.00 O ATOM 0 H TYR A 420 -13.308 -1.336 0.180 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.290 -3.052 -1.992 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.301 -0.388 -0.904 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.511 -1.311 -2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.237 -2.011 -4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -12.664 1.367 -1.607 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -13.643 -0.913 -5.850 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.074 2.463 -3.290 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.012 2.335 -5.281 1.00 0.00 H new ATOM 567 N ALA A 421 -10.242 -3.849 -0.766 1.00 0.00 N ATOM 568 CA ALA A 421 -9.220 -4.545 0.000 1.00 0.00 C ATOM 569 C ALA A 421 -7.990 -4.768 -0.868 1.00 0.00 C ATOM 570 O ALA A 421 -8.042 -4.594 -2.085 1.00 0.00 O ATOM 571 CB ALA A 421 -9.762 -5.873 0.510 1.00 0.00 C ATOM 0 H ALA A 421 -10.223 -4.057 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.938 -3.936 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.989 -6.386 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.626 -5.692 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.059 -6.493 -0.335 1.00 0.00 H new ATOM 577 N LEU A 422 -6.887 -5.145 -0.249 1.00 0.00 N ATOM 578 CA LEU A 422 -5.658 -5.403 -0.983 1.00 0.00 C ATOM 579 C LEU A 422 -5.591 -6.849 -1.434 1.00 0.00 C ATOM 580 O LEU A 422 -6.187 -7.731 -0.811 1.00 0.00 O ATOM 581 CB LEU A 422 -4.441 -5.077 -0.124 1.00 0.00 C ATOM 582 CG LEU A 422 -4.154 -3.587 0.057 1.00 0.00 C ATOM 583 CD1 LEU A 422 -3.044 -3.381 1.070 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.787 -2.951 -1.275 1.00 0.00 C ATOM 0 H LEU A 422 -6.815 -5.280 0.759 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.655 -4.760 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.579 -5.526 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.565 -5.548 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.056 -3.103 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.852 -2.315 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.344 -3.803 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.138 -3.877 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.586 -1.890 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.898 -3.437 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.614 -3.070 -1.975 1.00 0.00 H new ATOM 596 N PRO A 423 -4.864 -7.098 -2.530 1.00 0.00 N ATOM 597 CA PRO A 423 -4.648 -8.445 -3.059 1.00 0.00 C ATOM 598 C PRO A 423 -4.139 -9.408 -1.990 1.00 0.00 C ATOM 599 O PRO A 423 -3.372 -9.024 -1.102 1.00 0.00 O ATOM 600 CB PRO A 423 -3.592 -8.229 -4.141 1.00 0.00 C ATOM 601 CG PRO A 423 -3.810 -6.831 -4.586 1.00 0.00 C ATOM 602 CD PRO A 423 -4.195 -6.075 -3.351 1.00 0.00 C ATOM 0 HA PRO A 423 -5.568 -8.897 -3.430 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.585 -8.370 -3.749 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.715 -8.933 -4.964 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -2.907 -6.416 -5.035 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.595 -6.777 -5.340 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.324 -5.658 -2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.860 -5.242 -3.579 1.00 0.00 H new ATOM 610 N LYS A 424 -4.590 -10.650 -2.094 1.00 0.00 N ATOM 611 CA LYS A 424 -4.287 -11.704 -1.123 1.00 0.00 C ATOM 612 C LYS A 424 -4.975 -11.429 0.210 1.00 0.00 C ATOM 613 O LYS A 424 -4.533 -11.910 1.256 1.00 0.00 O ATOM 614 CB LYS A 424 -2.775 -11.871 -0.919 1.00 0.00 C ATOM 615 CG LYS A 424 -2.043 -12.377 -2.152 1.00 0.00 C ATOM 616 CD LYS A 424 -0.586 -12.690 -1.846 1.00 0.00 C ATOM 617 CE LYS A 424 0.100 -13.359 -3.026 1.00 0.00 C ATOM 618 NZ LYS A 424 1.427 -13.914 -2.652 1.00 0.00 N ATOM 0 H LYS A 424 -5.184 -10.963 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 424 -4.674 -12.639 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.349 -10.912 -0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -2.603 -12.564 -0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -2.537 -13.273 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -2.097 -11.628 -2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -0.061 -11.769 -1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -0.528 -13.341 -0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -0.534 -14.159 -3.409 1.00 0.00 H new ATOM 0 HE3 LYS A 424 0.223 -12.636 -3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 1.863 -14.362 -3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 2.040 -13.147 -2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 1.308 -14.622 -1.900 1.00 0.00 H new ATOM 632 N ALA A 425 -6.058 -10.648 0.152 1.00 0.00 N ATOM 633 CA ALA A 425 -6.850 -10.303 1.331 1.00 0.00 C ATOM 634 C ALA A 425 -5.978 -9.696 2.424 1.00 0.00 C ATOM 635 O ALA A 425 -6.053 -10.084 3.591 1.00 0.00 O ATOM 636 CB ALA A 425 -7.598 -11.526 1.847 1.00 0.00 C ATOM 0 H ALA A 425 -6.408 -10.239 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.582 -9.550 1.038 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -8.183 -11.251 2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -8.264 -11.900 1.070 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -6.883 -12.303 2.116 1.00 0.00 H new ATOM 642 N GLN A 426 -5.142 -8.750 2.033 1.00 0.00 N ATOM 643 CA GLN A 426 -4.246 -8.088 2.963 1.00 0.00 C ATOM 644 C GLN A 426 -4.700 -6.657 3.215 1.00 0.00 C ATOM 645 O GLN A 426 -5.567 -6.136 2.512 1.00 0.00 O ATOM 646 CB GLN A 426 -2.822 -8.077 2.404 1.00 0.00 C ATOM 647 CG GLN A 426 -2.218 -9.459 2.201 1.00 0.00 C ATOM 648 CD GLN A 426 -0.782 -9.407 1.708 1.00 0.00 C ATOM 649 OE1 GLN A 426 0.018 -10.299 1.991 1.00 0.00 O ATOM 650 NE2 GLN A 426 -0.440 -8.362 0.976 1.00 0.00 N ATOM 0 H GLN A 426 -5.066 -8.422 1.070 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.263 -8.638 3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -2.823 -7.550 1.450 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.183 -7.510 3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.255 -10.008 3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -2.824 -10.014 1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -1.130 -7.642 0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 426 0.514 -8.275 0.625 1.00 0.00 H new ATOM 659 N THR A 427 -4.121 -6.033 4.229 1.00 0.00 N ATOM 660 CA THR A 427 -4.349 -4.621 4.487 1.00 0.00 C ATOM 661 C THR A 427 -3.007 -3.901 4.577 1.00 0.00 C ATOM 662 O THR A 427 -2.943 -2.690 4.792 1.00 0.00 O ATOM 663 CB THR A 427 -5.162 -4.400 5.785 1.00 0.00 C ATOM 664 OG1 THR A 427 -5.481 -3.010 5.951 1.00 0.00 O ATOM 665 CG2 THR A 427 -4.401 -4.897 7.007 1.00 0.00 C ATOM 0 H THR A 427 -3.488 -6.485 4.889 1.00 0.00 H new ATOM 0 HA THR A 427 -4.934 -4.213 3.663 1.00 0.00 H new ATOM 0 HB THR A 427 -6.085 -4.973 5.694 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.800 -2.463 5.507 1.00 0.00 H new ATOM 0 HG21 THR A 427 -4.999 -4.727 7.902 1.00 0.00 H new ATOM 0 HG22 THR A 427 -4.200 -5.963 6.902 1.00 0.00 H new ATOM 0 HG23 THR A 427 -3.458 -4.357 7.093 1.00 0.00 H new ATOM 673 N THR A 428 -1.937 -4.668 4.408 1.00 0.00 N ATOM 674 CA THR A 428 -0.595 -4.151 4.457 1.00 0.00 C ATOM 675 C THR A 428 0.134 -4.385 3.137 1.00 0.00 C ATOM 676 O THR A 428 -0.091 -5.392 2.464 1.00 0.00 O ATOM 677 CB THR A 428 0.177 -4.833 5.590 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.257 -6.196 5.724 1.00 0.00 O ATOM 679 CG2 THR A 428 -0.008 -4.092 6.906 1.00 0.00 C ATOM 0 H THR A 428 -1.987 -5.672 4.233 1.00 0.00 H new ATOM 0 HA THR A 428 -0.650 -3.077 4.635 1.00 0.00 H new ATOM 0 HB THR A 428 1.238 -4.814 5.340 1.00 0.00 H new ATOM 0 HG1 THR A 428 0.241 -6.628 6.449 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.552 -4.600 7.691 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.357 -3.070 6.803 1.00 0.00 H new ATOM 0 HG23 THR A 428 -1.066 -4.074 7.168 1.00 0.00 H new ATOM 687 N VAL A 429 0.996 -3.450 2.770 1.00 0.00 N ATOM 688 CA VAL A 429 1.803 -3.575 1.568 1.00 0.00 C ATOM 689 C VAL A 429 3.272 -3.654 1.937 1.00 0.00 C ATOM 690 O VAL A 429 3.761 -2.876 2.755 1.00 0.00 O ATOM 691 CB VAL A 429 1.587 -2.391 0.603 1.00 0.00 C ATOM 692 CG1 VAL A 429 2.211 -2.674 -0.744 1.00 0.00 C ATOM 693 CG2 VAL A 429 0.113 -2.077 0.446 1.00 0.00 C ATOM 0 H VAL A 429 1.155 -2.589 3.293 1.00 0.00 H new ATOM 0 HA VAL A 429 1.492 -4.488 1.061 1.00 0.00 H new ATOM 0 HB VAL A 429 2.077 -1.518 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 429 2.046 -1.825 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 429 3.282 -2.836 -0.622 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.756 -3.566 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -0.009 -1.238 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -0.405 -2.950 0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -0.309 -1.817 1.417 1.00 0.00 H new ATOM 703 N THR A 430 3.958 -4.603 1.339 1.00 0.00 N ATOM 704 CA THR A 430 5.353 -4.836 1.627 1.00 0.00 C ATOM 705 C THR A 430 6.246 -4.083 0.637 1.00 0.00 C ATOM 706 O THR A 430 6.104 -4.232 -0.581 1.00 0.00 O ATOM 707 CB THR A 430 5.653 -6.340 1.549 1.00 0.00 C ATOM 708 OG1 THR A 430 4.679 -7.066 2.309 1.00 0.00 O ATOM 709 CG2 THR A 430 7.045 -6.658 2.074 1.00 0.00 C ATOM 0 H THR A 430 3.564 -5.233 0.641 1.00 0.00 H new ATOM 0 HA THR A 430 5.564 -4.470 2.632 1.00 0.00 H new ATOM 0 HB THR A 430 5.608 -6.638 0.502 1.00 0.00 H new ATOM 0 HG1 THR A 430 4.872 -8.025 2.256 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.224 -7.731 2.004 1.00 0.00 H new ATOM 0 HG22 THR A 430 7.788 -6.127 1.480 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.122 -6.345 3.115 1.00 0.00 H new ATOM 717 N CYS A 431 7.139 -3.261 1.170 1.00 0.00 N ATOM 718 CA CYS A 431 8.113 -2.537 0.365 1.00 0.00 C ATOM 719 C CYS A 431 9.156 -3.498 -0.154 1.00 0.00 C ATOM 720 O CYS A 431 9.939 -4.030 0.634 1.00 0.00 O ATOM 721 CB CYS A 431 8.817 -1.474 1.205 1.00 0.00 C ATOM 722 SG CYS A 431 10.101 -0.552 0.304 1.00 0.00 S ATOM 0 H CYS A 431 7.209 -3.077 2.171 1.00 0.00 H new ATOM 0 HA CYS A 431 7.587 -2.061 -0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.074 -0.770 1.580 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.269 -1.952 2.074 1.00 0.00 H new ATOM 727 N MET A 432 9.178 -3.746 -1.455 1.00 0.00 N ATOM 728 CA MET A 432 10.127 -4.705 -1.977 1.00 0.00 C ATOM 729 C MET A 432 10.747 -4.294 -3.284 1.00 0.00 C ATOM 730 O MET A 432 10.507 -3.196 -3.782 1.00 0.00 O ATOM 731 CB MET A 432 9.501 -6.084 -2.101 1.00 0.00 C ATOM 732 CG MET A 432 9.076 -6.610 -0.768 1.00 0.00 C ATOM 733 SD MET A 432 9.001 -8.411 -0.689 1.00 0.00 S ATOM 734 CE MET A 432 10.715 -8.829 -1.002 1.00 0.00 C ATOM 0 H MET A 432 8.568 -3.310 -2.147 1.00 0.00 H new ATOM 0 HA MET A 432 10.937 -4.740 -1.248 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.639 -6.036 -2.767 1.00 0.00 H new ATOM 0 HB3 MET A 432 10.216 -6.771 -2.554 1.00 0.00 H new ATOM 0 HG2 MET A 432 9.769 -6.250 -0.008 1.00 0.00 H new ATOM 0 HG3 MET A 432 8.095 -6.203 -0.523 1.00 0.00 H new ATOM 0 HE1 MET A 432 10.942 -9.795 -0.552 1.00 0.00 H new ATOM 0 HE2 MET A 432 10.887 -8.880 -2.077 1.00 0.00 H new ATOM 0 HE3 MET A 432 11.361 -8.066 -0.568 1.00 0.00 H new ATOM 744 N GLU A 433 11.571 -5.207 -3.775 1.00 0.00 N ATOM 745 CA GLU A 433 12.383 -5.066 -4.973 1.00 0.00 C ATOM 746 C GLU A 433 11.753 -4.225 -6.058 1.00 0.00 C ATOM 747 O GLU A 433 11.013 -4.698 -6.922 1.00 0.00 O ATOM 748 CB GLU A 433 12.748 -6.437 -5.508 1.00 0.00 C ATOM 749 CG GLU A 433 13.851 -7.136 -4.733 1.00 0.00 C ATOM 750 CD GLU A 433 15.193 -6.445 -4.867 1.00 0.00 C ATOM 751 OE1 GLU A 433 15.217 -5.229 -5.140 1.00 0.00 O ATOM 752 OE2 GLU A 433 16.231 -7.117 -4.687 1.00 0.00 O ATOM 0 H GLU A 433 11.698 -6.113 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 433 13.279 -4.524 -4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 433 11.858 -7.067 -5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 433 13.058 -6.338 -6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 433 13.575 -7.182 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 433 13.940 -8.164 -5.085 1.00 0.00 H new ATOM 759 N ASN A 434 12.041 -2.955 -5.926 1.00 0.00 N ATOM 760 CA ASN A 434 11.782 -1.934 -6.942 1.00 0.00 C ATOM 761 C ASN A 434 10.278 -1.698 -7.099 1.00 0.00 C ATOM 762 O ASN A 434 9.826 -1.027 -8.026 1.00 0.00 O ATOM 763 CB ASN A 434 12.422 -2.346 -8.278 1.00 0.00 C ATOM 764 CG ASN A 434 12.543 -1.203 -9.270 1.00 0.00 C ATOM 765 OD1 ASN A 434 11.662 -0.986 -10.105 1.00 0.00 O ATOM 766 ND2 ASN A 434 13.645 -0.475 -9.195 1.00 0.00 N ATOM 0 H ASN A 434 12.477 -2.578 -5.085 1.00 0.00 H new ATOM 0 HA ASN A 434 12.233 -0.995 -6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 434 13.413 -2.756 -8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 434 11.829 -3.143 -8.725 1.00 0.00 H new ATOM 0 HD21 ASN A 434 13.790 0.299 -9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 434 14.350 -0.688 -8.489 1.00 0.00 H new ATOM 773 N GLY A 435 9.509 -2.229 -6.162 1.00 0.00 N ATOM 774 CA GLY A 435 8.080 -2.037 -6.183 1.00 0.00 C ATOM 775 C GLY A 435 7.387 -2.740 -5.037 1.00 0.00 C ATOM 776 O GLY A 435 7.736 -3.871 -4.697 1.00 0.00 O ATOM 0 H GLY A 435 9.854 -2.792 -5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 435 7.859 -0.971 -6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.680 -2.406 -7.127 1.00 0.00 H new ATOM 780 N TRP A 436 6.463 -2.023 -4.394 1.00 0.00 N ATOM 781 CA TRP A 436 5.497 -2.615 -3.480 1.00 0.00 C ATOM 782 C TRP A 436 5.029 -3.955 -4.036 1.00 0.00 C ATOM 783 O TRP A 436 4.421 -4.022 -5.105 1.00 0.00 O ATOM 784 CB TRP A 436 4.286 -1.684 -3.325 1.00 0.00 C ATOM 785 CG TRP A 436 4.568 -0.354 -2.679 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.516 0.876 -3.274 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.916 -0.116 -1.308 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.812 1.860 -2.356 1.00 0.00 N ATOM 789 CE2 TRP A 436 5.064 1.275 -1.148 1.00 0.00 C ATOM 790 CE3 TRP A 436 5.120 -0.942 -0.203 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.401 1.854 0.071 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.456 -0.365 1.007 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.594 1.019 1.134 1.00 0.00 C ATOM 0 H TRP A 436 6.367 -1.013 -4.496 1.00 0.00 H new ATOM 0 HA TRP A 436 5.968 -2.761 -2.508 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.859 -1.505 -4.312 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.526 -2.200 -2.737 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.278 1.051 -4.313 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.839 2.862 -2.547 1.00 0.00 H new ATOM 0 HE3 TRP A 436 5.017 -2.013 -0.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.506 2.924 0.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.615 -0.995 1.869 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.859 1.438 2.094 1.00 0.00 H new ATOM 804 N SER A 437 5.305 -5.011 -3.287 1.00 0.00 N ATOM 805 CA SER A 437 5.145 -6.371 -3.774 1.00 0.00 C ATOM 806 C SER A 437 3.693 -6.754 -4.024 1.00 0.00 C ATOM 807 O SER A 437 3.365 -7.232 -5.106 1.00 0.00 O ATOM 808 CB SER A 437 5.781 -7.342 -2.794 1.00 0.00 C ATOM 809 OG SER A 437 7.174 -7.338 -2.934 1.00 0.00 O ATOM 0 H SER A 437 5.645 -4.949 -2.327 1.00 0.00 H new ATOM 0 HA SER A 437 5.648 -6.424 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 437 5.511 -7.067 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 437 5.395 -8.347 -2.966 1.00 0.00 H new ATOM 0 HG SER A 437 7.569 -7.966 -2.294 1.00 0.00 H new ATOM 815 N PRO A 438 2.791 -6.570 -3.048 1.00 0.00 N ATOM 816 CA PRO A 438 1.419 -7.018 -3.206 1.00 0.00 C ATOM 817 C PRO A 438 0.566 -6.006 -3.965 1.00 0.00 C ATOM 818 O PRO A 438 -0.566 -6.290 -4.354 1.00 0.00 O ATOM 819 CB PRO A 438 0.998 -7.183 -1.760 1.00 0.00 C ATOM 820 CG PRO A 438 1.654 -6.052 -1.068 1.00 0.00 C ATOM 821 CD PRO A 438 3.006 -5.944 -1.716 1.00 0.00 C ATOM 0 HA PRO A 438 1.306 -7.925 -3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 438 -0.086 -7.143 -1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 438 1.323 -8.142 -1.356 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.083 -5.131 -1.185 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.741 -6.239 0.002 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.329 -4.907 -1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.771 -6.468 -1.143 1.00 0.00 H new ATOM 829 N THR A 439 1.154 -4.829 -4.179 1.00 0.00 N ATOM 830 CA THR A 439 0.574 -3.772 -5.001 1.00 0.00 C ATOM 831 C THR A 439 -0.628 -3.106 -4.325 1.00 0.00 C ATOM 832 O THR A 439 -1.692 -3.708 -4.183 1.00 0.00 O ATOM 833 CB THR A 439 0.169 -4.304 -6.391 1.00 0.00 C ATOM 834 OG1 THR A 439 1.239 -5.086 -6.942 1.00 0.00 O ATOM 835 CG2 THR A 439 -0.149 -3.155 -7.338 1.00 0.00 C ATOM 0 H THR A 439 2.059 -4.582 -3.780 1.00 0.00 H new ATOM 0 HA THR A 439 1.349 -3.016 -5.124 1.00 0.00 H new ATOM 0 HB THR A 439 -0.721 -4.922 -6.274 1.00 0.00 H new ATOM 0 HG1 THR A 439 0.977 -5.423 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.432 -3.554 -8.312 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.973 -2.567 -6.933 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.730 -2.520 -7.448 1.00 0.00 H new ATOM 843 N PRO A 440 -0.459 -1.848 -3.891 1.00 0.00 N ATOM 844 CA PRO A 440 -1.548 -1.070 -3.307 1.00 0.00 C ATOM 845 C PRO A 440 -2.586 -0.706 -4.364 1.00 0.00 C ATOM 846 O PRO A 440 -2.409 0.239 -5.134 1.00 0.00 O ATOM 847 CB PRO A 440 -0.849 0.178 -2.754 1.00 0.00 C ATOM 848 CG PRO A 440 0.416 0.300 -3.533 1.00 0.00 C ATOM 849 CD PRO A 440 0.803 -1.093 -3.947 1.00 0.00 C ATOM 0 HA PRO A 440 -2.095 -1.616 -2.538 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -1.472 1.064 -2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.646 0.075 -1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 440 0.274 0.938 -4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.200 0.756 -2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.231 -1.106 -4.949 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.550 -1.515 -3.275 1.00 0.00 H new ATOM 857 N ARG A 441 -3.659 -1.483 -4.411 1.00 0.00 N ATOM 858 CA ARG A 441 -4.682 -1.311 -5.436 1.00 0.00 C ATOM 859 C ARG A 441 -6.042 -1.015 -4.829 1.00 0.00 C ATOM 860 O ARG A 441 -6.800 -0.224 -5.383 1.00 0.00 O ATOM 861 CB ARG A 441 -4.777 -2.563 -6.310 1.00 0.00 C ATOM 862 CG ARG A 441 -3.637 -2.702 -7.303 1.00 0.00 C ATOM 863 CD ARG A 441 -3.586 -1.517 -8.255 1.00 0.00 C ATOM 864 NE ARG A 441 -4.850 -1.344 -8.979 1.00 0.00 N ATOM 865 CZ ARG A 441 -5.356 -0.163 -9.343 1.00 0.00 C ATOM 866 NH1 ARG A 441 -4.694 0.957 -9.082 1.00 0.00 N ATOM 867 NH2 ARG A 441 -6.526 -0.112 -9.974 1.00 0.00 N ATOM 0 H ARG A 441 -3.845 -2.239 -3.752 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.387 -0.458 -6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.797 -3.443 -5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.721 -2.545 -6.854 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.692 -2.781 -6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -3.758 -3.624 -7.872 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -3.361 -0.610 -7.694 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.775 -1.659 -8.969 1.00 0.00 H new ATOM 0 HE ARG A 441 -5.378 -2.182 -9.221 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.795 0.918 -8.602 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -5.084 1.857 -9.362 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -7.033 -0.973 -10.178 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -6.916 0.788 -10.254 1.00 0.00 H new ATOM 881 N CYS A 442 -6.340 -1.644 -3.696 1.00 0.00 N ATOM 882 CA CYS A 442 -7.656 -1.529 -3.076 1.00 0.00 C ATOM 883 C CYS A 442 -8.741 -1.960 -4.062 1.00 0.00 C ATOM 884 O CYS A 442 -9.519 -1.146 -4.558 1.00 0.00 O ATOM 885 CB CYS A 442 -7.913 -0.099 -2.588 1.00 0.00 C ATOM 886 SG CYS A 442 -6.699 0.496 -1.363 1.00 0.00 S ATOM 0 H CYS A 442 -5.686 -2.240 -3.188 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.684 -2.189 -2.209 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -7.908 0.573 -3.446 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -8.910 -0.049 -2.150 1.00 0.00 H new ATOM 891 N ILE A 443 -8.772 -3.251 -4.350 1.00 0.00 N ATOM 892 CA ILE A 443 -9.739 -3.810 -5.269 1.00 0.00 C ATOM 893 C ILE A 443 -11.018 -4.168 -4.547 1.00 0.00 C ATOM 894 O ILE A 443 -11.012 -4.424 -3.343 1.00 0.00 O ATOM 895 CB ILE A 443 -9.195 -5.069 -5.966 1.00 0.00 C ATOM 896 CG1 ILE A 443 -8.433 -5.959 -4.989 1.00 0.00 C ATOM 897 CG2 ILE A 443 -8.311 -4.679 -7.117 1.00 0.00 C ATOM 898 CD1 ILE A 443 -7.985 -7.280 -5.582 1.00 0.00 C ATOM 0 H ILE A 443 -8.128 -3.935 -3.953 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.940 -3.047 -6.022 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.043 -5.640 -6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.558 -5.419 -4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.066 -6.156 -4.124 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -7.931 -5.577 -7.604 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -8.885 -4.092 -7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.475 -4.084 -6.749 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -7.451 -7.856 -4.826 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -8.856 -7.842 -5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.325 -7.093 -6.429 1.00 0.00 H new ATOM 910 N ARG A 444 -12.110 -4.180 -5.290 1.00 0.00 N ATOM 911 CA ARG A 444 -13.401 -4.528 -4.740 1.00 0.00 C ATOM 912 C ARG A 444 -13.371 -5.951 -4.203 1.00 0.00 C ATOM 913 O ARG A 444 -13.077 -6.903 -4.932 1.00 0.00 O ATOM 914 CB ARG A 444 -14.482 -4.351 -5.805 1.00 0.00 C ATOM 915 CG ARG A 444 -15.871 -4.675 -5.312 1.00 0.00 C ATOM 916 CD ARG A 444 -16.945 -4.119 -6.234 1.00 0.00 C ATOM 917 NE ARG A 444 -16.700 -4.430 -7.641 1.00 0.00 N ATOM 918 CZ ARG A 444 -17.448 -3.970 -8.644 1.00 0.00 C ATOM 919 NH1 ARG A 444 -18.551 -3.270 -8.395 1.00 0.00 N ATOM 920 NH2 ARG A 444 -17.108 -4.230 -9.898 1.00 0.00 N ATOM 0 H ARG A 444 -12.124 -3.950 -6.284 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.636 -3.864 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.463 -3.322 -6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.249 -4.989 -6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -15.985 -5.756 -5.233 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.005 -4.266 -4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.914 -4.523 -5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -17.000 -3.037 -6.110 1.00 0.00 H new ATOM 0 HE ARG A 444 -15.911 -5.034 -7.869 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -18.829 -3.082 -7.432 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -19.119 -2.921 -9.167 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -16.274 -4.782 -10.096 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -17.681 -3.878 -10.665 1.00 0.00 H new ATOM 934 N VAL A 445 -13.669 -6.076 -2.919 1.00 0.00 N ATOM 935 CA VAL A 445 -13.509 -7.327 -2.192 1.00 0.00 C ATOM 936 C VAL A 445 -14.595 -8.344 -2.553 1.00 0.00 C ATOM 937 O VAL A 445 -14.528 -9.499 -2.138 1.00 0.00 O ATOM 938 CB VAL A 445 -13.511 -7.055 -0.669 1.00 0.00 C ATOM 939 CG1 VAL A 445 -14.899 -6.663 -0.179 1.00 0.00 C ATOM 940 CG2 VAL A 445 -12.970 -8.247 0.107 1.00 0.00 C ATOM 0 H VAL A 445 -14.030 -5.311 -2.350 1.00 0.00 H new ATOM 0 HA VAL A 445 -12.552 -7.760 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 445 -12.845 -6.212 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -14.867 -6.479 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -15.224 -5.759 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -15.600 -7.471 -0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -12.985 -8.024 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -13.591 -9.121 -0.089 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -11.946 -8.451 -0.207 1.00 0.00 H new