USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 480 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 427 THR OG1 : rot 48:sc= 1.04 USER MOD Set 1.2: A 428 THR OG1 : rot 180:sc= 0.899 USER MOD Set 2.1: A 398 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 417 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Set 3.1: A 390 TYR OH : rot -127:sc= 0.599 USER MOD Set 3.2: A 402 HIS : no HE2:sc= -0.696 K(o=-0.097,f=-1.6) USER MOD Single : A 388 LYS NZ :NH3+ -169:sc= -0.0185 (180deg=-0.147) USER MOD Single : A 393 TYR OH : rot -92:sc= 0.125 USER MOD Single : A 396 ASN : amide:sc= -0.487 X(o=-0.49,f=-0.3) USER MOD Single : A 399 ASN : amide:sc= 1.6 K(o=1.6,f=-7.8!) USER MOD Single : A 400 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 401 ASN : amide:sc= -1.19 K(o=-1.2,f=-7.5!) USER MOD Single : A 405 LYS NZ :NH3+ 174:sc= 0.483 (180deg=0.265) USER MOD Single : A 408 GLN :FLIP amide:sc= -0.405 F(o=-1.7,f=-0.41) USER MOD Single : A 410 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0184) USER MOD Single : A 411 SER OG : rot 180:sc= -1.78! 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 :FLIP amide:sc= -0.193 F(o=-0.98!,f=-0.19) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl -158:sc= -0.175 (180deg=-0.744) USER MOD Single : A 434 ASN : amide:sc= 0.284 K(o=0.28,f=-5!) USER MOD Single : A 437 SER OG : rot 85:sc= 0.329 USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ -158:sc= -0.104 (180deg=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 17.639 -1.944 -2.100 1.00 0.00 N ATOM 2 CA LEU A 386 16.680 -1.098 -1.447 1.00 0.00 C ATOM 3 C LEU A 386 16.450 0.153 -2.267 1.00 0.00 C ATOM 4 O LEU A 386 16.980 1.225 -1.985 1.00 0.00 O ATOM 5 CB LEU A 386 17.159 -0.735 -0.057 1.00 0.00 C ATOM 6 CG LEU A 386 17.188 -1.897 0.940 1.00 0.00 C ATOM 7 CD1 LEU A 386 18.200 -2.945 0.530 1.00 0.00 C ATOM 8 CD2 LEU A 386 17.467 -1.406 2.353 1.00 0.00 C ATOM 0 HA LEU A 386 15.738 -1.638 -1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 386 18.162 -0.315 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 386 16.514 0.049 0.340 1.00 0.00 H new ATOM 0 HG LEU A 386 16.200 -2.358 0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 386 18.198 -3.757 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 386 17.940 -3.337 -0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 386 19.193 -2.496 0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 386 17.481 -2.255 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 386 18.434 -0.903 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 386 16.686 -0.708 2.657 1.00 0.00 H new ATOM 20 N ARG A 387 15.651 -0.025 -3.281 1.00 0.00 N ATOM 21 CA ARG A 387 15.369 0.991 -4.288 1.00 0.00 C ATOM 22 C ARG A 387 14.382 2.044 -3.782 1.00 0.00 C ATOM 23 O ARG A 387 13.965 2.957 -4.501 1.00 0.00 O ATOM 24 CB ARG A 387 14.852 0.255 -5.534 1.00 0.00 C ATOM 25 CG ARG A 387 14.110 1.109 -6.537 1.00 0.00 C ATOM 26 CD ARG A 387 15.048 1.979 -7.349 1.00 0.00 C ATOM 27 NE ARG A 387 15.842 1.188 -8.282 1.00 0.00 N ATOM 28 CZ ARG A 387 17.169 1.107 -8.256 1.00 0.00 C ATOM 29 NH1 ARG A 387 17.864 1.756 -7.329 1.00 0.00 N ATOM 30 NH2 ARG A 387 17.802 0.369 -9.158 1.00 0.00 N ATOM 0 H ARG A 387 15.157 -0.902 -3.446 1.00 0.00 H new ATOM 0 HA ARG A 387 16.273 1.550 -4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 387 15.700 -0.210 -6.037 1.00 0.00 H new ATOM 0 HB3 ARG A 387 14.192 -0.550 -5.211 1.00 0.00 H new ATOM 0 HG2 ARG A 387 13.540 0.467 -7.208 1.00 0.00 H new ATOM 0 HG3 ARG A 387 13.392 1.741 -6.014 1.00 0.00 H new ATOM 0 HD2 ARG A 387 14.471 2.721 -7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 387 15.711 2.525 -6.678 1.00 0.00 H new ATOM 0 HE ARG A 387 15.347 0.662 -9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 387 17.380 2.321 -6.631 1.00 0.00 H new ATOM 0 HH12 ARG A 387 18.882 1.689 -7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 387 17.271 -0.134 -9.869 1.00 0.00 H new ATOM 0 HH22 ARG A 387 18.820 0.305 -9.141 1.00 0.00 H new ATOM 44 N LYS A 388 14.121 1.961 -2.503 1.00 0.00 N ATOM 45 CA LYS A 388 13.067 2.711 -1.847 1.00 0.00 C ATOM 46 C LYS A 388 11.699 2.415 -2.461 1.00 0.00 C ATOM 47 O LYS A 388 11.587 1.876 -3.562 1.00 0.00 O ATOM 48 CB LYS A 388 13.363 4.205 -1.858 1.00 0.00 C ATOM 49 CG LYS A 388 14.350 4.655 -0.785 1.00 0.00 C ATOM 50 CD LYS A 388 15.752 4.122 -1.034 1.00 0.00 C ATOM 51 CE LYS A 388 16.690 4.444 0.117 1.00 0.00 C ATOM 52 NZ LYS A 388 16.762 5.901 0.391 1.00 0.00 N ATOM 0 H LYS A 388 14.644 1.357 -1.869 1.00 0.00 H new ATOM 0 HA LYS A 388 13.036 2.385 -0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.758 4.479 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.428 4.750 -1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.378 5.744 -0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 388 14.002 4.316 0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.710 3.042 -1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 388 16.146 4.551 -1.955 1.00 0.00 H new ATOM 0 HE2 LYS A 388 16.354 3.924 1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.687 4.070 -0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 17.544 6.092 1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.926 6.414 -0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 15.867 6.219 0.815 1.00 0.00 H new ATOM 66 N CYS A 389 10.657 2.746 -1.730 1.00 0.00 N ATOM 67 CA CYS A 389 9.323 2.337 -2.112 1.00 0.00 C ATOM 68 C CYS A 389 8.331 3.479 -1.929 1.00 0.00 C ATOM 69 O CYS A 389 7.894 3.770 -0.816 1.00 0.00 O ATOM 70 CB CYS A 389 8.934 1.123 -1.272 1.00 0.00 C ATOM 71 SG CYS A 389 10.378 0.105 -0.801 1.00 0.00 S ATOM 0 H CYS A 389 10.707 3.295 -0.872 1.00 0.00 H new ATOM 0 HA CYS A 389 9.305 2.069 -3.168 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.421 1.458 -0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 389 8.228 0.509 -1.831 1.00 0.00 H new ATOM 76 N TYR A 390 8.009 4.137 -3.033 1.00 0.00 N ATOM 77 CA TYR A 390 7.065 5.245 -3.038 1.00 0.00 C ATOM 78 C TYR A 390 5.647 4.731 -2.812 1.00 0.00 C ATOM 79 O TYR A 390 5.225 3.769 -3.453 1.00 0.00 O ATOM 80 CB TYR A 390 7.160 5.987 -4.381 1.00 0.00 C ATOM 81 CG TYR A 390 6.099 7.048 -4.600 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.306 8.363 -4.209 1.00 0.00 C ATOM 83 CD2 TYR A 390 4.891 6.729 -5.209 1.00 0.00 C ATOM 84 CE1 TYR A 390 5.340 9.329 -4.416 1.00 0.00 C ATOM 85 CE2 TYR A 390 3.920 7.688 -5.418 1.00 0.00 C ATOM 86 CZ TYR A 390 4.149 8.986 -5.020 1.00 0.00 C ATOM 87 OH TYR A 390 3.182 9.943 -5.224 1.00 0.00 O ATOM 0 H TYR A 390 8.395 3.918 -3.951 1.00 0.00 H new ATOM 0 HA TYR A 390 7.311 5.934 -2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.142 6.455 -4.452 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.096 5.257 -5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.237 8.636 -3.735 1.00 0.00 H new ATOM 0 HD2 TYR A 390 4.709 5.712 -5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 390 5.517 10.348 -4.106 1.00 0.00 H new ATOM 0 HE2 TYR A 390 2.986 7.422 -5.891 1.00 0.00 H new ATOM 0 HH TYR A 390 2.332 9.634 -4.847 1.00 0.00 H new ATOM 97 N PHE A 391 4.923 5.353 -1.893 1.00 0.00 N ATOM 98 CA PHE A 391 3.534 4.993 -1.667 1.00 0.00 C ATOM 99 C PHE A 391 2.634 5.793 -2.603 1.00 0.00 C ATOM 100 O PHE A 391 2.529 7.017 -2.488 1.00 0.00 O ATOM 101 CB PHE A 391 3.126 5.228 -0.210 1.00 0.00 C ATOM 102 CG PHE A 391 1.791 4.620 0.119 1.00 0.00 C ATOM 103 CD1 PHE A 391 1.615 3.247 0.054 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.706 5.414 0.457 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.388 2.677 0.326 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.527 4.846 0.722 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.685 3.477 0.660 1.00 0.00 C ATOM 0 H PHE A 391 5.272 6.103 -1.297 1.00 0.00 H new ATOM 0 HA PHE A 391 3.420 3.929 -1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 391 3.886 4.807 0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.092 6.300 -0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 391 2.449 2.615 -0.213 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.825 6.486 0.514 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.268 1.605 0.277 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.367 5.475 0.978 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.646 3.033 0.872 1.00 0.00 H new ATOM 117 N PRO A 392 1.972 5.098 -3.536 1.00 0.00 N ATOM 118 CA PRO A 392 1.162 5.727 -4.579 1.00 0.00 C ATOM 119 C PRO A 392 -0.222 6.121 -4.096 1.00 0.00 C ATOM 120 O PRO A 392 -0.610 5.844 -2.963 1.00 0.00 O ATOM 121 CB PRO A 392 1.072 4.629 -5.637 1.00 0.00 C ATOM 122 CG PRO A 392 1.130 3.352 -4.870 1.00 0.00 C ATOM 123 CD PRO A 392 1.944 3.627 -3.632 1.00 0.00 C ATOM 0 HA PRO A 392 1.599 6.660 -4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.147 4.705 -6.208 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.893 4.699 -6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.128 3.013 -4.607 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.587 2.563 -5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.489 3.179 -2.749 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.949 3.214 -3.717 1.00 0.00 H new ATOM 131 N TYR A 393 -0.948 6.799 -4.965 1.00 0.00 N ATOM 132 CA TYR A 393 -2.289 7.244 -4.658 1.00 0.00 C ATOM 133 C TYR A 393 -3.314 6.179 -5.014 1.00 0.00 C ATOM 134 O TYR A 393 -3.503 5.847 -6.187 1.00 0.00 O ATOM 135 CB TYR A 393 -2.590 8.542 -5.408 1.00 0.00 C ATOM 136 CG TYR A 393 -4.042 8.966 -5.324 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.570 9.497 -4.153 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.892 8.811 -6.414 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.899 9.866 -4.073 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.221 9.175 -6.339 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.720 9.702 -5.168 1.00 0.00 C ATOM 142 OH TYR A 393 -8.047 10.056 -5.089 1.00 0.00 O ATOM 0 H TYR A 393 -0.625 7.054 -5.898 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.354 7.426 -3.585 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.963 9.338 -5.006 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.316 8.419 -6.456 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.931 9.623 -3.292 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.505 8.399 -7.334 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -6.293 10.281 -3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.867 9.047 -7.195 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.578 9.277 -4.821 1.00 0.00 H new ATOM 152 N LEU A 394 -3.958 5.643 -3.995 1.00 0.00 N ATOM 153 CA LEU A 394 -5.040 4.699 -4.179 1.00 0.00 C ATOM 154 C LEU A 394 -6.352 5.459 -4.315 1.00 0.00 C ATOM 155 O LEU A 394 -6.784 6.128 -3.373 1.00 0.00 O ATOM 156 CB LEU A 394 -5.113 3.712 -3.002 1.00 0.00 C ATOM 157 CG LEU A 394 -3.983 2.673 -2.922 1.00 0.00 C ATOM 158 CD1 LEU A 394 -2.628 3.329 -2.708 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.261 1.684 -1.806 1.00 0.00 C ATOM 0 H LEU A 394 -3.745 5.850 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.857 4.123 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.120 4.284 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.064 3.182 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 394 -3.951 2.146 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -1.856 2.561 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.415 4.003 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -2.640 3.894 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -3.454 0.953 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -4.325 2.215 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.204 1.172 -2.000 1.00 0.00 H new ATOM 171 N GLU A 395 -6.946 5.378 -5.505 1.00 0.00 N ATOM 172 CA GLU A 395 -8.128 6.164 -5.875 1.00 0.00 C ATOM 173 C GLU A 395 -9.143 6.248 -4.738 1.00 0.00 C ATOM 174 O GLU A 395 -9.474 7.335 -4.260 1.00 0.00 O ATOM 175 CB GLU A 395 -8.799 5.539 -7.098 1.00 0.00 C ATOM 176 CG GLU A 395 -9.447 6.546 -8.032 1.00 0.00 C ATOM 177 CD GLU A 395 -8.426 7.393 -8.761 1.00 0.00 C ATOM 178 OE1 GLU A 395 -7.340 6.869 -9.086 1.00 0.00 O ATOM 179 OE2 GLU A 395 -8.700 8.583 -9.015 1.00 0.00 O ATOM 0 H GLU A 395 -6.619 4.760 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.789 7.175 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -8.056 4.969 -7.655 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.557 4.832 -6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -10.064 6.019 -8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -10.111 7.194 -7.460 1.00 0.00 H new ATOM 186 N ASN A 396 -9.625 5.095 -4.312 1.00 0.00 N ATOM 187 CA ASN A 396 -10.628 5.022 -3.261 1.00 0.00 C ATOM 188 C ASN A 396 -10.019 4.523 -1.956 1.00 0.00 C ATOM 189 O ASN A 396 -10.553 3.615 -1.308 1.00 0.00 O ATOM 190 CB ASN A 396 -11.788 4.118 -3.689 1.00 0.00 C ATOM 191 CG ASN A 396 -11.332 2.930 -4.517 1.00 0.00 C ATOM 192 OD1 ASN A 396 -11.341 2.980 -5.746 1.00 0.00 O ATOM 193 ND2 ASN A 396 -10.916 1.869 -3.856 1.00 0.00 N ATOM 0 H ASN A 396 -9.336 4.189 -4.680 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.013 6.028 -3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -12.309 3.758 -2.802 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.505 4.703 -4.265 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -10.585 1.049 -4.364 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -10.925 1.868 -2.836 1.00 0.00 H new ATOM 200 N GLY A 397 -8.904 5.122 -1.574 1.00 0.00 N ATOM 201 CA GLY A 397 -8.279 4.803 -0.308 1.00 0.00 C ATOM 202 C GLY A 397 -7.912 6.056 0.458 1.00 0.00 C ATOM 203 O GLY A 397 -7.915 7.148 -0.109 1.00 0.00 O ATOM 0 H GLY A 397 -8.416 5.830 -2.123 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.956 4.194 0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.384 4.206 -0.483 1.00 0.00 H new ATOM 207 N TYR A 398 -7.614 5.910 1.739 1.00 0.00 N ATOM 208 CA TYR A 398 -7.209 7.040 2.566 1.00 0.00 C ATOM 209 C TYR A 398 -5.692 7.171 2.574 1.00 0.00 C ATOM 210 O TYR A 398 -5.017 6.657 3.467 1.00 0.00 O ATOM 211 CB TYR A 398 -7.720 6.877 4.000 1.00 0.00 C ATOM 212 CG TYR A 398 -9.227 6.880 4.123 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.942 8.065 4.036 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.932 5.702 4.333 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.319 8.077 4.156 1.00 0.00 C ATOM 216 CE2 TYR A 398 -11.307 5.704 4.455 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.996 6.893 4.366 1.00 0.00 C ATOM 218 OH TYR A 398 -13.368 6.900 4.481 1.00 0.00 O ATOM 0 H TYR A 398 -7.645 5.018 2.232 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.646 7.944 2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.335 5.942 4.407 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -7.315 7.682 4.612 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.415 8.993 3.872 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.395 4.768 4.402 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.862 9.008 4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.839 4.779 4.619 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.689 5.985 4.625 1.00 0.00 H new ATOM 228 N ASN A 399 -5.162 7.869 1.584 1.00 0.00 N ATOM 229 CA ASN A 399 -3.717 7.974 1.418 1.00 0.00 C ATOM 230 C ASN A 399 -3.162 9.156 2.192 1.00 0.00 C ATOM 231 O ASN A 399 -2.743 10.153 1.601 1.00 0.00 O ATOM 232 CB ASN A 399 -3.328 8.135 -0.052 1.00 0.00 C ATOM 233 CG ASN A 399 -4.049 7.180 -0.977 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.570 6.081 -1.244 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.197 7.595 -1.484 1.00 0.00 N ATOM 0 H ASN A 399 -5.707 8.371 0.883 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.293 7.047 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.537 9.158 -0.365 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.253 7.984 -0.153 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.719 6.995 -2.122 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.561 8.515 -1.237 1.00 0.00 H new ATOM 242 N GLN A 400 -3.151 9.049 3.509 1.00 0.00 N ATOM 243 CA GLN A 400 -2.517 10.061 4.338 1.00 0.00 C ATOM 244 C GLN A 400 -1.005 9.978 4.170 1.00 0.00 C ATOM 245 O GLN A 400 -0.274 10.924 4.458 1.00 0.00 O ATOM 246 CB GLN A 400 -2.896 9.875 5.806 1.00 0.00 C ATOM 247 CG GLN A 400 -4.359 10.165 6.108 1.00 0.00 C ATOM 248 CD GLN A 400 -4.670 10.099 7.590 1.00 0.00 C ATOM 249 OE1 GLN A 400 -3.810 10.364 8.433 1.00 0.00 O ATOM 250 NE2 GLN A 400 -5.899 9.742 7.922 1.00 0.00 N ATOM 0 H GLN A 400 -3.571 8.277 4.026 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.864 11.045 4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.671 8.850 6.102 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.273 10.528 6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.615 11.155 5.730 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.985 9.449 5.576 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -6.583 9.531 7.195 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -6.164 9.678 8.905 1.00 0.00 H new ATOM 259 N ASN A 401 -0.557 8.832 3.685 1.00 0.00 N ATOM 260 CA ASN A 401 0.855 8.576 3.463 1.00 0.00 C ATOM 261 C ASN A 401 1.213 8.614 1.981 1.00 0.00 C ATOM 262 O ASN A 401 2.264 8.111 1.581 1.00 0.00 O ATOM 263 CB ASN A 401 1.265 7.226 4.073 1.00 0.00 C ATOM 264 CG ASN A 401 0.365 6.066 3.684 1.00 0.00 C ATOM 265 OD1 ASN A 401 -0.827 6.234 3.419 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.930 4.868 3.664 1.00 0.00 N ATOM 0 H ASN A 401 -1.164 8.052 3.434 1.00 0.00 H new ATOM 0 HA ASN A 401 1.409 9.373 3.960 1.00 0.00 H new ATOM 0 HB2 ASN A 401 2.286 6.997 3.767 1.00 0.00 H new ATOM 0 HB3 ASN A 401 1.271 7.318 5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 401 0.375 4.046 3.424 1.00 0.00 H new ATOM 0 HD22 ASN A 401 1.920 4.767 3.889 1.00 0.00 H new ATOM 273 N HIS A 402 0.351 9.217 1.167 1.00 0.00 N ATOM 274 CA HIS A 402 0.645 9.378 -0.255 1.00 0.00 C ATOM 275 C HIS A 402 1.911 10.203 -0.456 1.00 0.00 C ATOM 276 O HIS A 402 2.055 11.288 0.108 1.00 0.00 O ATOM 277 CB HIS A 402 -0.517 10.050 -0.993 1.00 0.00 C ATOM 278 CG HIS A 402 -0.205 10.352 -2.432 1.00 0.00 C ATOM 279 ND1 HIS A 402 -0.214 11.625 -2.959 1.00 0.00 N ATOM 280 CD2 HIS A 402 0.141 9.531 -3.450 1.00 0.00 C ATOM 281 CE1 HIS A 402 0.112 11.573 -4.236 1.00 0.00 C ATOM 282 NE2 HIS A 402 0.331 10.314 -4.559 1.00 0.00 N ATOM 0 H HIS A 402 -0.548 9.599 1.463 1.00 0.00 H new ATOM 0 HA HIS A 402 0.793 8.380 -0.668 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -1.393 9.403 -0.945 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -0.777 10.977 -0.482 1.00 0.00 H new ATOM 0 HD1 HIS A 402 -0.438 12.475 -2.442 1.00 0.00 H new ATOM 0 HD2 HIS A 402 0.248 8.458 -3.399 1.00 0.00 H new ATOM 0 HE1 HIS A 402 0.187 12.419 -4.904 1.00 0.00 H new ATOM 291 N GLY A 403 2.823 9.680 -1.258 1.00 0.00 N ATOM 292 CA GLY A 403 4.017 10.420 -1.598 1.00 0.00 C ATOM 293 C GLY A 403 5.194 10.029 -0.735 1.00 0.00 C ATOM 294 O GLY A 403 6.346 10.324 -1.070 1.00 0.00 O ATOM 0 H GLY A 403 2.757 8.754 -1.680 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.263 10.248 -2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.825 11.487 -1.487 1.00 0.00 H new ATOM 298 N ARG A 404 4.907 9.340 0.363 1.00 0.00 N ATOM 299 CA ARG A 404 5.942 8.928 1.295 1.00 0.00 C ATOM 300 C ARG A 404 6.767 7.806 0.699 1.00 0.00 C ATOM 301 O ARG A 404 6.263 6.997 -0.085 1.00 0.00 O ATOM 302 CB ARG A 404 5.328 8.505 2.629 1.00 0.00 C ATOM 303 CG ARG A 404 4.753 9.672 3.408 1.00 0.00 C ATOM 304 CD ARG A 404 3.985 9.211 4.632 1.00 0.00 C ATOM 305 NE ARG A 404 3.424 10.333 5.377 1.00 0.00 N ATOM 306 CZ ARG A 404 2.619 10.205 6.432 1.00 0.00 C ATOM 307 NH1 ARG A 404 2.333 9.003 6.921 1.00 0.00 N ATOM 308 NH2 ARG A 404 2.117 11.283 7.018 1.00 0.00 N ATOM 0 H ARG A 404 3.964 9.056 0.627 1.00 0.00 H new ATOM 0 HA ARG A 404 6.601 9.776 1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.541 7.773 2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.089 8.010 3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.560 10.337 3.715 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.093 10.250 2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.182 8.541 4.325 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.647 8.639 5.282 1.00 0.00 H new ATOM 0 HE ARG A 404 3.663 11.276 5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 404 2.730 8.169 6.489 1.00 0.00 H new ATOM 0 HH12 ARG A 404 1.716 8.914 7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 404 2.347 12.211 6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 404 1.501 11.185 7.825 1.00 0.00 H new ATOM 322 N LYS A 405 8.034 7.767 1.061 1.00 0.00 N ATOM 323 CA LYS A 405 8.962 6.840 0.455 1.00 0.00 C ATOM 324 C LYS A 405 9.588 5.942 1.506 1.00 0.00 C ATOM 325 O LYS A 405 10.362 6.391 2.353 1.00 0.00 O ATOM 326 CB LYS A 405 10.026 7.614 -0.313 1.00 0.00 C ATOM 327 CG LYS A 405 9.427 8.489 -1.401 1.00 0.00 C ATOM 328 CD LYS A 405 10.455 9.409 -2.035 1.00 0.00 C ATOM 329 CE LYS A 405 9.815 10.333 -3.057 1.00 0.00 C ATOM 330 NZ LYS A 405 8.735 11.169 -2.459 1.00 0.00 N ATOM 0 H LYS A 405 8.443 8.370 1.775 1.00 0.00 H new ATOM 0 HA LYS A 405 8.424 6.199 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.592 8.236 0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.731 6.913 -0.760 1.00 0.00 H new ATOM 0 HG2 LYS A 405 8.986 7.856 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.619 9.087 -0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 405 10.942 10.002 -1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.231 8.814 -2.516 1.00 0.00 H new ATOM 0 HE2 LYS A 405 10.578 10.981 -3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 405 9.403 9.740 -3.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 8.396 11.854 -3.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 7.947 10.558 -2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 9.108 11.678 -1.633 1.00 0.00 H new ATOM 344 N PHE A 406 9.233 4.676 1.434 1.00 0.00 N ATOM 345 CA PHE A 406 9.696 3.678 2.381 1.00 0.00 C ATOM 346 C PHE A 406 10.898 2.949 1.805 1.00 0.00 C ATOM 347 O PHE A 406 11.456 3.364 0.789 1.00 0.00 O ATOM 348 CB PHE A 406 8.568 2.690 2.696 1.00 0.00 C ATOM 349 CG PHE A 406 7.371 3.327 3.351 1.00 0.00 C ATOM 350 CD1 PHE A 406 6.429 4.011 2.596 1.00 0.00 C ATOM 351 CD2 PHE A 406 7.186 3.238 4.721 1.00 0.00 C ATOM 352 CE1 PHE A 406 5.330 4.593 3.195 1.00 0.00 C ATOM 353 CE2 PHE A 406 6.087 3.820 5.325 1.00 0.00 C ATOM 354 CZ PHE A 406 5.158 4.498 4.560 1.00 0.00 C ATOM 0 H PHE A 406 8.612 4.307 0.714 1.00 0.00 H new ATOM 0 HA PHE A 406 9.992 4.169 3.308 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.251 2.207 1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 406 8.954 1.907 3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 406 6.557 4.089 1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 406 7.908 2.708 5.324 1.00 0.00 H new ATOM 0 HE1 PHE A 406 4.605 5.123 2.595 1.00 0.00 H new ATOM 0 HE2 PHE A 406 5.955 3.745 6.394 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.299 4.953 5.030 1.00 0.00 H new ATOM 364 N VAL A 407 11.290 1.868 2.446 1.00 0.00 N ATOM 365 CA VAL A 407 12.457 1.124 2.026 1.00 0.00 C ATOM 366 C VAL A 407 12.139 -0.371 2.027 1.00 0.00 C ATOM 367 O VAL A 407 11.199 -0.804 2.698 1.00 0.00 O ATOM 368 CB VAL A 407 13.653 1.431 2.955 1.00 0.00 C ATOM 369 CG1 VAL A 407 13.464 0.800 4.329 1.00 0.00 C ATOM 370 CG2 VAL A 407 14.963 0.993 2.322 1.00 0.00 C ATOM 0 H VAL A 407 10.815 1.484 3.263 1.00 0.00 H new ATOM 0 HA VAL A 407 12.730 1.424 1.014 1.00 0.00 H new ATOM 0 HB VAL A 407 13.696 2.511 3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 407 14.322 1.035 4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 407 12.558 1.195 4.789 1.00 0.00 H new ATOM 0 HG13 VAL A 407 13.376 -0.281 4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 407 15.788 1.221 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 407 14.935 -0.080 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.108 1.523 1.381 1.00 0.00 H new ATOM 380 N GLN A 408 12.895 -1.146 1.252 1.00 0.00 N ATOM 381 CA GLN A 408 12.690 -2.588 1.178 1.00 0.00 C ATOM 382 C GLN A 408 12.805 -3.207 2.563 1.00 0.00 C ATOM 383 O GLN A 408 13.830 -3.075 3.230 1.00 0.00 O ATOM 384 CB GLN A 408 13.697 -3.231 0.219 1.00 0.00 C ATOM 385 CG GLN A 408 13.544 -4.742 0.113 1.00 0.00 C ATOM 386 CD GLN A 408 14.546 -5.394 -0.824 1.00 0.00 C ATOM 387 OE1 GLN A 408 14.906 -4.708 -1.896 1.00 0.00 O flip ATOM 388 NE2 GLN A 408 14.971 -6.526 -0.599 1.00 0.00 N flip ATOM 0 H GLN A 408 13.655 -0.798 0.667 1.00 0.00 H new ATOM 0 HA GLN A 408 11.687 -2.774 0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.579 -2.790 -0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.708 -2.997 0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.651 -5.179 1.106 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.536 -4.973 -0.230 1.00 0.00 H new ATOM 0 HE21 GLN A 408 14.672 -7.026 0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 408 15.623 -6.965 -1.250 1.00 0.00 H new ATOM 397 N GLY A 409 11.742 -3.870 2.991 1.00 0.00 N ATOM 398 CA GLY A 409 11.705 -4.424 4.325 1.00 0.00 C ATOM 399 C GLY A 409 10.701 -3.711 5.207 1.00 0.00 C ATOM 400 O GLY A 409 10.302 -4.231 6.247 1.00 0.00 O ATOM 0 H GLY A 409 10.902 -4.034 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.453 -5.483 4.271 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.696 -4.355 4.774 1.00 0.00 H new ATOM 404 N LYS A 410 10.295 -2.514 4.797 1.00 0.00 N ATOM 405 CA LYS A 410 9.310 -1.745 5.536 1.00 0.00 C ATOM 406 C LYS A 410 7.896 -2.119 5.115 1.00 0.00 C ATOM 407 O LYS A 410 7.654 -2.514 3.970 1.00 0.00 O ATOM 408 CB LYS A 410 9.562 -0.251 5.330 1.00 0.00 C ATOM 409 CG LYS A 410 10.606 0.320 6.275 1.00 0.00 C ATOM 410 CD LYS A 410 9.994 0.623 7.628 1.00 0.00 C ATOM 411 CE LYS A 410 11.044 0.803 8.713 1.00 0.00 C ATOM 412 NZ LYS A 410 12.021 1.877 8.390 1.00 0.00 N ATOM 0 H LYS A 410 10.637 -2.057 3.952 1.00 0.00 H new ATOM 0 HA LYS A 410 9.409 -1.977 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.882 -0.082 4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.625 0.290 5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.425 -0.389 6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 410 11.030 1.230 5.850 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.391 1.528 7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 410 9.321 -0.187 7.909 1.00 0.00 H new ATOM 0 HE2 LYS A 410 10.550 1.037 9.656 1.00 0.00 H new ATOM 0 HE3 LYS A 410 11.577 -0.137 8.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 12.652 2.028 9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 12.584 1.596 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 11.511 2.758 8.179 1.00 0.00 H new ATOM 426 N SER A 411 6.977 -2.002 6.058 1.00 0.00 N ATOM 427 CA SER A 411 5.583 -2.323 5.830 1.00 0.00 C ATOM 428 C SER A 411 4.710 -1.139 6.219 1.00 0.00 C ATOM 429 O SER A 411 5.163 -0.214 6.900 1.00 0.00 O ATOM 430 CB SER A 411 5.196 -3.546 6.656 1.00 0.00 C ATOM 431 OG SER A 411 3.819 -3.866 6.530 1.00 0.00 O ATOM 0 H SER A 411 7.179 -1.681 7.005 1.00 0.00 H new ATOM 0 HA SER A 411 5.434 -2.542 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.796 -4.400 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.430 -3.363 7.705 1.00 0.00 H new ATOM 0 HG SER A 411 3.616 -4.656 7.074 1.00 0.00 H new ATOM 437 N ILE A 412 3.463 -1.186 5.797 1.00 0.00 N ATOM 438 CA ILE A 412 2.494 -0.145 6.113 1.00 0.00 C ATOM 439 C ILE A 412 1.083 -0.651 5.848 1.00 0.00 C ATOM 440 O ILE A 412 0.829 -1.309 4.837 1.00 0.00 O ATOM 441 CB ILE A 412 2.758 1.147 5.299 1.00 0.00 C ATOM 442 CG1 ILE A 412 1.708 2.218 5.614 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.793 0.856 3.806 1.00 0.00 C ATOM 444 CD1 ILE A 412 1.835 2.803 7.004 1.00 0.00 C ATOM 0 H ILE A 412 3.089 -1.944 5.226 1.00 0.00 H new ATOM 0 HA ILE A 412 2.599 0.101 7.170 1.00 0.00 H new ATOM 0 HB ILE A 412 3.735 1.530 5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 412 1.790 3.022 4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 412 0.714 1.785 5.501 1.00 0.00 H new ATOM 0 HG21 ILE A 412 2.980 1.780 3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.588 0.141 3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.836 0.437 3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.059 3.554 7.155 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.722 2.011 7.744 1.00 0.00 H new ATOM 0 HD13 ILE A 412 2.815 3.267 7.115 1.00 0.00 H new ATOM 456 N ASP A 413 0.175 -0.372 6.773 1.00 0.00 N ATOM 457 CA ASP A 413 -1.218 -0.781 6.624 1.00 0.00 C ATOM 458 C ASP A 413 -1.960 0.230 5.771 1.00 0.00 C ATOM 459 O ASP A 413 -1.671 1.424 5.815 1.00 0.00 O ATOM 460 CB ASP A 413 -1.917 -0.939 7.984 1.00 0.00 C ATOM 461 CG ASP A 413 -1.957 0.345 8.794 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.915 0.734 9.355 1.00 0.00 O ATOM 463 OD2 ASP A 413 -3.039 0.965 8.882 1.00 0.00 O ATOM 0 H ASP A 413 0.376 0.135 7.635 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.230 -1.755 6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.936 -1.289 7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.403 -1.708 8.561 1.00 0.00 H new ATOM 468 N VAL A 414 -2.910 -0.248 4.988 1.00 0.00 N ATOM 469 CA VAL A 414 -3.628 0.621 4.066 1.00 0.00 C ATOM 470 C VAL A 414 -5.072 0.788 4.495 1.00 0.00 C ATOM 471 O VAL A 414 -5.757 -0.188 4.800 1.00 0.00 O ATOM 472 CB VAL A 414 -3.592 0.088 2.619 1.00 0.00 C ATOM 473 CG1 VAL A 414 -4.244 1.076 1.662 1.00 0.00 C ATOM 474 CG2 VAL A 414 -2.167 -0.210 2.189 1.00 0.00 C ATOM 0 H VAL A 414 -3.203 -1.225 4.970 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.122 1.586 4.091 1.00 0.00 H new ATOM 0 HB VAL A 414 -4.159 -0.842 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -4.207 0.679 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.283 1.232 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.710 2.025 1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -2.167 -0.585 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.573 0.702 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.737 -0.962 2.851 1.00 0.00 H new ATOM 484 N ALA A 415 -5.535 2.027 4.504 1.00 0.00 N ATOM 485 CA ALA A 415 -6.899 2.319 4.887 1.00 0.00 C ATOM 486 C ALA A 415 -7.768 2.532 3.650 1.00 0.00 C ATOM 487 O ALA A 415 -7.882 3.646 3.145 1.00 0.00 O ATOM 488 CB ALA A 415 -6.945 3.541 5.794 1.00 0.00 C ATOM 0 H ALA A 415 -4.982 2.846 4.249 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.295 1.466 5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -7.978 3.748 6.074 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.357 3.350 6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.533 4.401 5.267 1.00 0.00 H new ATOM 494 N CYS A 416 -8.359 1.462 3.147 1.00 0.00 N ATOM 495 CA CYS A 416 -9.222 1.554 1.977 1.00 0.00 C ATOM 496 C CYS A 416 -10.654 1.837 2.399 1.00 0.00 C ATOM 497 O CYS A 416 -11.053 1.512 3.519 1.00 0.00 O ATOM 498 CB CYS A 416 -9.167 0.262 1.162 1.00 0.00 C ATOM 499 SG CYS A 416 -7.532 -0.094 0.444 1.00 0.00 S ATOM 0 H CYS A 416 -8.259 0.521 3.527 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.865 2.375 1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.461 -0.571 1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.900 0.321 0.358 1.00 0.00 H new ATOM 504 N HIS A 417 -11.417 2.453 1.501 1.00 0.00 N ATOM 505 CA HIS A 417 -12.831 2.724 1.750 1.00 0.00 C ATOM 506 C HIS A 417 -13.614 1.413 1.782 1.00 0.00 C ATOM 507 O HIS A 417 -13.115 0.377 1.335 1.00 0.00 O ATOM 508 CB HIS A 417 -13.408 3.655 0.672 1.00 0.00 C ATOM 509 CG HIS A 417 -13.035 5.099 0.826 1.00 0.00 C ATOM 510 ND1 HIS A 417 -13.964 6.094 1.032 1.00 0.00 N ATOM 511 CD2 HIS A 417 -11.832 5.719 0.781 1.00 0.00 C ATOM 512 CE1 HIS A 417 -13.353 7.259 1.109 1.00 0.00 C ATOM 513 NE2 HIS A 417 -12.056 7.060 0.959 1.00 0.00 N ATOM 0 H HIS A 417 -11.080 2.775 0.593 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.921 3.221 2.716 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.071 3.309 -0.305 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.495 3.571 0.683 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -10.873 5.245 0.632 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -13.831 8.214 1.268 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -11.339 7.785 0.973 1.00 0.00 H new ATOM 522 N PRO A 418 -14.853 1.447 2.299 1.00 0.00 N ATOM 523 CA PRO A 418 -15.691 0.252 2.459 1.00 0.00 C ATOM 524 C PRO A 418 -15.916 -0.479 1.140 1.00 0.00 C ATOM 525 O PRO A 418 -16.274 0.133 0.132 1.00 0.00 O ATOM 526 CB PRO A 418 -17.012 0.812 2.997 1.00 0.00 C ATOM 527 CG PRO A 418 -16.651 2.117 3.607 1.00 0.00 C ATOM 528 CD PRO A 418 -15.546 2.658 2.757 1.00 0.00 C ATOM 0 HA PRO A 418 -15.229 -0.485 3.115 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.743 0.938 2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.456 0.141 3.732 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -17.505 2.795 3.620 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -16.327 1.992 4.640 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.930 3.243 1.921 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.883 3.311 3.325 1.00 0.00 H new ATOM 536 N GLY A 419 -15.685 -1.785 1.152 1.00 0.00 N ATOM 537 CA GLY A 419 -15.847 -2.584 -0.048 1.00 0.00 C ATOM 538 C GLY A 419 -14.543 -2.764 -0.796 1.00 0.00 C ATOM 539 O GLY A 419 -14.451 -3.581 -1.713 1.00 0.00 O ATOM 0 H GLY A 419 -15.387 -2.308 1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.248 -3.561 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.577 -2.109 -0.703 1.00 0.00 H new ATOM 543 N TYR A 420 -13.530 -2.007 -0.404 1.00 0.00 N ATOM 544 CA TYR A 420 -12.237 -2.053 -1.070 1.00 0.00 C ATOM 545 C TYR A 420 -11.157 -2.508 -0.103 1.00 0.00 C ATOM 546 O TYR A 420 -11.252 -2.257 1.097 1.00 0.00 O ATOM 547 CB TYR A 420 -11.864 -0.675 -1.615 1.00 0.00 C ATOM 548 CG TYR A 420 -12.937 -0.040 -2.470 1.00 0.00 C ATOM 549 CD1 TYR A 420 -13.198 -0.505 -3.752 1.00 0.00 C ATOM 550 CD2 TYR A 420 -13.670 1.041 -1.998 1.00 0.00 C ATOM 551 CE1 TYR A 420 -14.163 0.087 -4.541 1.00 0.00 C ATOM 552 CE2 TYR A 420 -14.640 1.636 -2.778 1.00 0.00 C ATOM 553 CZ TYR A 420 -14.881 1.158 -4.049 1.00 0.00 C ATOM 554 OH TYR A 420 -15.838 1.759 -4.832 1.00 0.00 O ATOM 0 H TYR A 420 -13.579 -1.351 0.375 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.311 -2.762 -1.895 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.642 -0.013 -0.778 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -10.950 -0.763 -2.203 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.637 -1.343 -4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.478 1.422 -1.006 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -14.355 -0.285 -5.536 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -15.207 2.471 -2.395 1.00 0.00 H new ATOM 0 HH TYR A 420 -16.251 2.496 -4.336 1.00 0.00 H new ATOM 564 N ALA A 421 -10.137 -3.170 -0.631 1.00 0.00 N ATOM 565 CA ALA A 421 -8.993 -3.599 0.161 1.00 0.00 C ATOM 566 C ALA A 421 -7.873 -4.056 -0.755 1.00 0.00 C ATOM 567 O ALA A 421 -8.041 -4.099 -1.971 1.00 0.00 O ATOM 568 CB ALA A 421 -9.385 -4.712 1.123 1.00 0.00 C ATOM 0 H ALA A 421 -10.079 -3.424 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.643 -2.753 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.513 -5.015 1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.163 -4.353 1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -9.760 -5.566 0.558 1.00 0.00 H new ATOM 574 N LEU A 422 -6.730 -4.366 -0.174 1.00 0.00 N ATOM 575 CA LEU A 422 -5.617 -4.923 -0.907 1.00 0.00 C ATOM 576 C LEU A 422 -5.941 -6.309 -1.425 1.00 0.00 C ATOM 577 O LEU A 422 -6.963 -6.898 -1.075 1.00 0.00 O ATOM 578 CB LEU A 422 -4.420 -4.992 0.030 1.00 0.00 C ATOM 579 CG LEU A 422 -3.891 -3.647 0.514 1.00 0.00 C ATOM 580 CD1 LEU A 422 -4.016 -2.577 -0.564 1.00 0.00 C ATOM 581 CD2 LEU A 422 -4.585 -3.231 1.802 1.00 0.00 C ATOM 0 H LEU A 422 -6.550 -4.237 0.822 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.399 -4.290 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.694 -5.590 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.613 -5.520 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 422 -2.828 -3.759 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -3.629 -1.631 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.444 -2.877 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -5.064 -2.457 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -4.194 -2.268 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -5.657 -3.146 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.402 -3.980 2.572 1.00 0.00 H new ATOM 593 N PRO A 423 -5.085 -6.841 -2.291 1.00 0.00 N ATOM 594 CA PRO A 423 -5.131 -8.244 -2.667 1.00 0.00 C ATOM 595 C PRO A 423 -5.061 -9.128 -1.433 1.00 0.00 C ATOM 596 O PRO A 423 -4.768 -8.648 -0.340 1.00 0.00 O ATOM 597 CB PRO A 423 -3.910 -8.412 -3.554 1.00 0.00 C ATOM 598 CG PRO A 423 -3.720 -7.048 -4.124 1.00 0.00 C ATOM 599 CD PRO A 423 -4.027 -6.118 -2.999 1.00 0.00 C ATOM 0 HA PRO A 423 -6.052 -8.529 -3.175 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.039 -8.736 -2.985 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.076 -9.156 -4.333 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -2.701 -6.909 -4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -4.385 -6.877 -4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.158 -5.942 -2.365 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -4.365 -5.144 -3.354 1.00 0.00 H new ATOM 607 N LYS A 424 -5.310 -10.412 -1.606 1.00 0.00 N ATOM 608 CA LYS A 424 -5.657 -11.273 -0.485 1.00 0.00 C ATOM 609 C LYS A 424 -4.451 -11.687 0.361 1.00 0.00 C ATOM 610 O LYS A 424 -4.138 -12.864 0.525 1.00 0.00 O ATOM 611 CB LYS A 424 -6.427 -12.472 -0.985 1.00 0.00 C ATOM 612 CG LYS A 424 -7.330 -12.123 -2.159 1.00 0.00 C ATOM 613 CD LYS A 424 -8.355 -13.208 -2.419 1.00 0.00 C ATOM 614 CE LYS A 424 -7.703 -14.522 -2.801 1.00 0.00 C ATOM 615 NZ LYS A 424 -8.694 -15.623 -2.884 1.00 0.00 N ATOM 0 H LYS A 424 -5.279 -10.884 -2.510 1.00 0.00 H new ATOM 0 HA LYS A 424 -6.290 -10.694 0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -5.727 -13.252 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -7.030 -12.880 -0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -7.840 -11.181 -1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -6.724 -11.973 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -8.966 -13.351 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -9.026 -12.890 -3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -7.199 -14.413 -3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -6.938 -14.776 -2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -8.211 -16.506 -3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -9.157 -15.744 -1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -9.410 -15.392 -3.602 1.00 0.00 H new ATOM 629 N ALA A 425 -3.796 -10.672 0.870 1.00 0.00 N ATOM 630 CA ALA A 425 -2.816 -10.754 1.915 1.00 0.00 C ATOM 631 C ALA A 425 -2.927 -9.435 2.644 1.00 0.00 C ATOM 632 O ALA A 425 -1.945 -8.795 3.024 1.00 0.00 O ATOM 633 CB ALA A 425 -1.413 -10.981 1.363 1.00 0.00 C ATOM 0 H ALA A 425 -3.944 -9.716 0.545 1.00 0.00 H new ATOM 0 HA ALA A 425 -2.994 -11.603 2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -0.702 -11.037 2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -1.390 -11.914 0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -1.142 -10.154 0.706 1.00 0.00 H new ATOM 639 N GLN A 426 -4.181 -9.044 2.796 1.00 0.00 N ATOM 640 CA GLN A 426 -4.552 -7.672 3.032 1.00 0.00 C ATOM 641 C GLN A 426 -4.775 -7.297 4.473 1.00 0.00 C ATOM 642 O GLN A 426 -5.740 -7.703 5.119 1.00 0.00 O ATOM 643 CB GLN A 426 -5.809 -7.349 2.268 1.00 0.00 C ATOM 644 CG GLN A 426 -6.777 -8.533 2.168 1.00 0.00 C ATOM 645 CD GLN A 426 -8.221 -8.119 1.952 1.00 0.00 C ATOM 646 OE1 GLN A 426 -8.622 -7.981 0.702 1.00 0.00 O flip ATOM 647 NE2 GLN A 426 -8.970 -7.922 2.907 1.00 0.00 N flip ATOM 0 H GLN A 426 -4.975 -9.684 2.757 1.00 0.00 H new ATOM 0 HA GLN A 426 -3.693 -7.093 2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -6.316 -6.514 2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -5.542 -7.021 1.263 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -6.466 -9.178 1.346 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -6.710 -9.125 3.081 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -8.624 -8.039 3.859 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -9.938 -7.642 2.747 1.00 0.00 H new ATOM 656 N THR A 427 -3.839 -6.529 4.938 1.00 0.00 N ATOM 657 CA THR A 427 -4.027 -5.594 6.028 1.00 0.00 C ATOM 658 C THR A 427 -3.064 -4.460 5.799 1.00 0.00 C ATOM 659 O THR A 427 -3.074 -3.450 6.497 1.00 0.00 O ATOM 660 CB THR A 427 -3.720 -6.195 7.413 1.00 0.00 C ATOM 661 OG1 THR A 427 -2.607 -7.097 7.319 1.00 0.00 O ATOM 662 CG2 THR A 427 -4.926 -6.908 8.001 1.00 0.00 C ATOM 0 H THR A 427 -2.890 -6.528 4.565 1.00 0.00 H new ATOM 0 HA THR A 427 -5.073 -5.289 6.034 1.00 0.00 H new ATOM 0 HB THR A 427 -3.467 -5.374 8.083 1.00 0.00 H new ATOM 0 HG1 THR A 427 -1.881 -6.670 6.817 1.00 0.00 H new ATOM 0 HG21 THR A 427 -4.667 -7.317 8.977 1.00 0.00 H new ATOM 0 HG22 THR A 427 -5.749 -6.201 8.111 1.00 0.00 H new ATOM 0 HG23 THR A 427 -5.229 -7.718 7.337 1.00 0.00 H new ATOM 670 N THR A 428 -2.259 -4.638 4.766 1.00 0.00 N ATOM 671 CA THR A 428 -1.001 -3.967 4.673 1.00 0.00 C ATOM 672 C THR A 428 -0.431 -4.067 3.268 1.00 0.00 C ATOM 673 O THR A 428 -1.003 -4.716 2.390 1.00 0.00 O ATOM 674 CB THR A 428 -0.011 -4.646 5.627 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.446 -5.990 5.902 1.00 0.00 O ATOM 676 CG2 THR A 428 0.160 -3.881 6.931 1.00 0.00 C ATOM 0 H THR A 428 -2.469 -5.251 3.979 1.00 0.00 H new ATOM 0 HA THR A 428 -1.151 -2.918 4.928 1.00 0.00 H new ATOM 0 HB THR A 428 0.960 -4.660 5.132 1.00 0.00 H new ATOM 0 HG1 THR A 428 0.190 -6.421 6.511 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.871 -4.405 7.570 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.533 -2.879 6.719 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.801 -3.810 7.440 1.00 0.00 H new ATOM 684 N VAL A 429 0.696 -3.412 3.081 1.00 0.00 N ATOM 685 CA VAL A 429 1.513 -3.575 1.904 1.00 0.00 C ATOM 686 C VAL A 429 2.958 -3.355 2.284 1.00 0.00 C ATOM 687 O VAL A 429 3.282 -2.427 3.029 1.00 0.00 O ATOM 688 CB VAL A 429 1.092 -2.624 0.767 1.00 0.00 C ATOM 689 CG1 VAL A 429 0.944 -1.191 1.258 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.073 -2.692 -0.369 1.00 0.00 C ATOM 0 H VAL A 429 1.072 -2.743 3.753 1.00 0.00 H new ATOM 0 HA VAL A 429 1.378 -4.587 1.523 1.00 0.00 H new ATOM 0 HB VAL A 429 0.116 -2.953 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.646 -0.551 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.184 -1.150 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.896 -0.844 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.759 -2.014 -1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.062 -2.402 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.111 -3.710 -0.756 1.00 0.00 H new ATOM 700 N THR A 430 3.823 -4.247 1.833 1.00 0.00 N ATOM 701 CA THR A 430 5.213 -4.156 2.197 1.00 0.00 C ATOM 702 C THR A 430 6.104 -4.205 0.976 1.00 0.00 C ATOM 703 O THR A 430 5.689 -4.647 -0.090 1.00 0.00 O ATOM 704 CB THR A 430 5.630 -5.271 3.175 1.00 0.00 C ATOM 705 OG1 THR A 430 6.047 -6.438 2.457 1.00 0.00 O ATOM 706 CG2 THR A 430 4.487 -5.657 4.102 1.00 0.00 C ATOM 0 H THR A 430 3.586 -5.029 1.223 1.00 0.00 H new ATOM 0 HA THR A 430 5.337 -3.195 2.696 1.00 0.00 H new ATOM 0 HB THR A 430 6.456 -4.881 3.770 1.00 0.00 H new ATOM 0 HG1 THR A 430 6.310 -7.136 3.092 1.00 0.00 H new ATOM 0 HG21 THR A 430 4.817 -6.446 4.778 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.180 -4.787 4.682 1.00 0.00 H new ATOM 0 HG23 THR A 430 3.644 -6.015 3.511 1.00 0.00 H new ATOM 714 N CYS A 431 7.328 -3.742 1.146 1.00 0.00 N ATOM 715 CA CYS A 431 8.271 -3.650 0.053 1.00 0.00 C ATOM 716 C CYS A 431 9.156 -4.889 0.018 1.00 0.00 C ATOM 717 O CYS A 431 9.993 -5.089 0.901 1.00 0.00 O ATOM 718 CB CYS A 431 9.112 -2.396 0.227 1.00 0.00 C ATOM 719 SG CYS A 431 9.880 -1.790 -1.300 1.00 0.00 S ATOM 0 H CYS A 431 7.693 -3.421 2.043 1.00 0.00 H new ATOM 0 HA CYS A 431 7.732 -3.592 -0.893 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.484 -1.607 0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.895 -2.597 0.958 1.00 0.00 H new ATOM 724 N MET A 432 8.958 -5.715 -1.002 1.00 0.00 N ATOM 725 CA MET A 432 9.638 -7.004 -1.097 1.00 0.00 C ATOM 726 C MET A 432 10.990 -6.883 -1.802 1.00 0.00 C ATOM 727 O MET A 432 11.988 -7.430 -1.336 1.00 0.00 O ATOM 728 CB MET A 432 8.752 -8.027 -1.823 1.00 0.00 C ATOM 729 CG MET A 432 8.459 -7.658 -3.264 1.00 0.00 C ATOM 730 SD MET A 432 7.570 -8.941 -4.163 1.00 0.00 S ATOM 731 CE MET A 432 8.771 -10.271 -4.136 1.00 0.00 C ATOM 0 H MET A 432 8.329 -5.515 -1.780 1.00 0.00 H new ATOM 0 HA MET A 432 9.824 -7.350 -0.080 1.00 0.00 H new ATOM 0 HB2 MET A 432 9.240 -9.001 -1.798 1.00 0.00 H new ATOM 0 HB3 MET A 432 7.810 -8.128 -1.283 1.00 0.00 H new ATOM 0 HG2 MET A 432 7.874 -6.738 -3.284 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.398 -7.450 -3.776 1.00 0.00 H new ATOM 0 HE1 MET A 432 8.562 -10.967 -4.948 1.00 0.00 H new ATOM 0 HE2 MET A 432 9.773 -9.859 -4.260 1.00 0.00 H new ATOM 0 HE3 MET A 432 8.710 -10.797 -3.183 1.00 0.00 H new ATOM 741 N GLU A 433 11.017 -6.167 -2.918 1.00 0.00 N ATOM 742 CA GLU A 433 12.228 -6.016 -3.721 1.00 0.00 C ATOM 743 C GLU A 433 11.970 -5.021 -4.838 1.00 0.00 C ATOM 744 O GLU A 433 12.552 -3.939 -4.871 1.00 0.00 O ATOM 745 CB GLU A 433 12.667 -7.361 -4.317 1.00 0.00 C ATOM 746 CG GLU A 433 13.906 -7.263 -5.194 1.00 0.00 C ATOM 747 CD GLU A 433 14.273 -8.585 -5.834 1.00 0.00 C ATOM 748 OE1 GLU A 433 13.758 -8.884 -6.933 1.00 0.00 O ATOM 749 OE2 GLU A 433 15.080 -9.332 -5.243 1.00 0.00 O ATOM 0 H GLU A 433 10.205 -5.676 -3.293 1.00 0.00 H new ATOM 0 HA GLU A 433 13.028 -5.652 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 433 12.861 -8.062 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 433 11.847 -7.773 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 433 13.737 -6.521 -5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 433 14.744 -6.909 -4.594 1.00 0.00 H new ATOM 756 N ASN A 434 11.059 -5.388 -5.732 1.00 0.00 N ATOM 757 CA ASN A 434 10.652 -4.521 -6.830 1.00 0.00 C ATOM 758 C ASN A 434 9.570 -3.553 -6.358 1.00 0.00 C ATOM 759 O ASN A 434 8.711 -3.129 -7.131 1.00 0.00 O ATOM 760 CB ASN A 434 10.138 -5.349 -8.022 1.00 0.00 C ATOM 761 CG ASN A 434 8.932 -6.217 -7.682 1.00 0.00 C ATOM 762 OD1 ASN A 434 8.797 -6.719 -6.562 1.00 0.00 O ATOM 763 ND2 ASN A 434 8.045 -6.398 -8.648 1.00 0.00 N ATOM 0 H ASN A 434 10.584 -6.291 -5.716 1.00 0.00 H new ATOM 0 HA ASN A 434 11.522 -3.953 -7.159 1.00 0.00 H new ATOM 0 HB2 ASN A 434 9.873 -4.674 -8.836 1.00 0.00 H new ATOM 0 HB3 ASN A 434 10.944 -5.986 -8.386 1.00 0.00 H new ATOM 0 HD21 ASN A 434 7.216 -6.968 -8.479 1.00 0.00 H new ATOM 0 HD22 ASN A 434 8.190 -5.967 -9.561 1.00 0.00 H new ATOM 770 N GLY A 435 9.629 -3.207 -5.079 1.00 0.00 N ATOM 771 CA GLY A 435 8.631 -2.347 -4.489 1.00 0.00 C ATOM 772 C GLY A 435 7.644 -3.121 -3.640 1.00 0.00 C ATOM 773 O GLY A 435 7.965 -4.194 -3.121 1.00 0.00 O ATOM 0 H GLY A 435 10.360 -3.512 -4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 435 9.121 -1.591 -3.876 1.00 0.00 H new ATOM 0 HA3 GLY A 435 8.095 -1.820 -5.278 1.00 0.00 H new ATOM 777 N TRP A 436 6.452 -2.568 -3.499 1.00 0.00 N ATOM 778 CA TRP A 436 5.381 -3.171 -2.712 1.00 0.00 C ATOM 779 C TRP A 436 4.954 -4.522 -3.302 1.00 0.00 C ATOM 780 O TRP A 436 4.696 -4.636 -4.500 1.00 0.00 O ATOM 781 CB TRP A 436 4.194 -2.217 -2.710 1.00 0.00 C ATOM 782 CG TRP A 436 4.530 -0.833 -2.243 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.525 0.306 -2.994 1.00 0.00 C ATOM 784 CD2 TRP A 436 4.922 -0.446 -0.925 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.870 1.380 -2.217 1.00 0.00 N ATOM 786 CE2 TRP A 436 5.124 0.947 -0.944 1.00 0.00 C ATOM 787 CE3 TRP A 436 5.114 -1.141 0.271 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.507 1.655 0.187 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.501 -0.436 1.394 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.691 0.950 1.346 1.00 0.00 C ATOM 0 H TRP A 436 6.194 -1.680 -3.930 1.00 0.00 H new ATOM 0 HA TRP A 436 5.737 -3.346 -1.697 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.784 -2.160 -3.718 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.412 -2.626 -2.070 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.285 0.354 -4.046 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.928 2.347 -2.536 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.963 -2.209 0.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.655 2.724 0.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.659 -0.962 2.324 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.989 1.474 2.242 1.00 0.00 H new ATOM 801 N SER A 437 4.869 -5.531 -2.444 1.00 0.00 N ATOM 802 CA SER A 437 4.528 -6.884 -2.859 1.00 0.00 C ATOM 803 C SER A 437 3.013 -7.053 -3.021 1.00 0.00 C ATOM 804 O SER A 437 2.556 -7.495 -4.073 1.00 0.00 O ATOM 805 CB SER A 437 5.097 -7.904 -1.872 1.00 0.00 C ATOM 806 OG SER A 437 4.807 -9.232 -2.269 1.00 0.00 O ATOM 0 H SER A 437 5.034 -5.434 -1.442 1.00 0.00 H new ATOM 0 HA SER A 437 4.980 -7.064 -3.835 1.00 0.00 H new ATOM 0 HB2 SER A 437 6.177 -7.774 -1.796 1.00 0.00 H new ATOM 0 HB3 SER A 437 4.683 -7.722 -0.880 1.00 0.00 H new ATOM 0 HG SER A 437 5.484 -9.538 -2.908 1.00 0.00 H new ATOM 812 N PRO A 438 2.195 -6.699 -1.996 1.00 0.00 N ATOM 813 CA PRO A 438 0.737 -6.720 -2.133 1.00 0.00 C ATOM 814 C PRO A 438 0.278 -5.734 -3.194 1.00 0.00 C ATOM 815 O PRO A 438 -0.771 -5.911 -3.808 1.00 0.00 O ATOM 816 CB PRO A 438 0.234 -6.275 -0.757 1.00 0.00 C ATOM 817 CG PRO A 438 1.366 -6.518 0.170 1.00 0.00 C ATOM 818 CD PRO A 438 2.597 -6.278 -0.641 1.00 0.00 C ATOM 0 HA PRO A 438 0.363 -7.698 -2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 438 -0.050 -5.223 -0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.648 -6.842 -0.458 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.323 -5.847 1.028 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.344 -7.536 0.560 1.00 0.00 H new ATOM 0 HD2 PRO A 438 2.897 -5.230 -0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.442 -6.860 -0.273 1.00 0.00 H new ATOM 826 N THR A 439 1.100 -4.709 -3.406 1.00 0.00 N ATOM 827 CA THR A 439 0.797 -3.628 -4.330 1.00 0.00 C ATOM 828 C THR A 439 -0.372 -2.785 -3.811 1.00 0.00 C ATOM 829 O THR A 439 -1.507 -3.252 -3.736 1.00 0.00 O ATOM 830 CB THR A 439 0.485 -4.155 -5.747 1.00 0.00 C ATOM 831 OG1 THR A 439 1.549 -5.011 -6.194 1.00 0.00 O ATOM 832 CG2 THR A 439 0.310 -3.004 -6.730 1.00 0.00 C ATOM 0 H THR A 439 2.000 -4.608 -2.937 1.00 0.00 H new ATOM 0 HA THR A 439 1.686 -3.000 -4.396 1.00 0.00 H new ATOM 0 HB THR A 439 -0.447 -4.719 -5.704 1.00 0.00 H new ATOM 0 HG1 THR A 439 1.345 -5.344 -7.093 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.091 -3.402 -7.721 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.514 -2.369 -6.404 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.227 -2.417 -6.769 1.00 0.00 H new ATOM 840 N PRO A 440 -0.092 -1.532 -3.421 1.00 0.00 N ATOM 841 CA PRO A 440 -1.110 -0.612 -2.919 1.00 0.00 C ATOM 842 C PRO A 440 -2.188 -0.338 -3.955 1.00 0.00 C ATOM 843 O PRO A 440 -2.010 0.485 -4.858 1.00 0.00 O ATOM 844 CB PRO A 440 -0.342 0.671 -2.604 1.00 0.00 C ATOM 845 CG PRO A 440 1.098 0.298 -2.583 1.00 0.00 C ATOM 846 CD PRO A 440 1.243 -0.924 -3.441 1.00 0.00 C ATOM 0 HA PRO A 440 -1.628 -1.024 -2.053 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.535 1.435 -3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.651 1.084 -1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.714 1.113 -2.964 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.430 0.097 -1.565 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.549 -0.666 -4.455 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.997 -1.603 -3.044 1.00 0.00 H new ATOM 854 N ARG A 441 -3.294 -1.048 -3.832 1.00 0.00 N ATOM 855 CA ARG A 441 -4.425 -0.861 -4.718 1.00 0.00 C ATOM 856 C ARG A 441 -5.695 -1.347 -4.034 1.00 0.00 C ATOM 857 O ARG A 441 -5.843 -2.533 -3.745 1.00 0.00 O ATOM 858 CB ARG A 441 -4.198 -1.587 -6.055 1.00 0.00 C ATOM 859 CG ARG A 441 -3.899 -3.076 -5.915 1.00 0.00 C ATOM 860 CD ARG A 441 -3.418 -3.683 -7.224 1.00 0.00 C ATOM 861 NE ARG A 441 -4.395 -3.538 -8.300 1.00 0.00 N ATOM 862 CZ ARG A 441 -4.585 -4.440 -9.263 1.00 0.00 C ATOM 863 NH1 ARG A 441 -3.892 -5.574 -9.273 1.00 0.00 N ATOM 864 NH2 ARG A 441 -5.479 -4.209 -10.215 1.00 0.00 N ATOM 0 H ARG A 441 -3.432 -1.765 -3.120 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.533 0.201 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -5.084 -1.463 -6.678 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.370 -1.109 -6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.141 -3.223 -5.146 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -4.797 -3.597 -5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.483 -3.207 -7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.203 -4.741 -7.073 1.00 0.00 H new ATOM 0 HE ARG A 441 -4.968 -2.694 -8.316 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.208 -5.760 -8.540 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -4.044 -6.258 -10.014 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -6.019 -3.343 -10.209 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -5.627 -4.897 -10.953 1.00 0.00 H new ATOM 878 N CYS A 442 -6.595 -0.421 -3.748 1.00 0.00 N ATOM 879 CA CYS A 442 -7.834 -0.759 -3.069 1.00 0.00 C ATOM 880 C CYS A 442 -8.831 -1.362 -4.044 1.00 0.00 C ATOM 881 O CYS A 442 -9.785 -0.703 -4.465 1.00 0.00 O ATOM 882 CB CYS A 442 -8.443 0.470 -2.401 1.00 0.00 C ATOM 883 SG CYS A 442 -7.409 1.216 -1.102 1.00 0.00 S ATOM 0 H CYS A 442 -6.491 0.568 -3.975 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.602 -1.495 -2.299 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.642 1.222 -3.165 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.404 0.193 -1.968 1.00 0.00 H new ATOM 888 N ILE A 443 -8.593 -2.608 -4.415 1.00 0.00 N ATOM 889 CA ILE A 443 -9.490 -3.334 -5.284 1.00 0.00 C ATOM 890 C ILE A 443 -10.732 -3.756 -4.515 1.00 0.00 C ATOM 891 O ILE A 443 -10.666 -4.046 -3.318 1.00 0.00 O ATOM 892 CB ILE A 443 -8.804 -4.572 -5.909 1.00 0.00 C ATOM 893 CG1 ILE A 443 -7.900 -5.285 -4.895 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.005 -4.169 -7.139 1.00 0.00 C ATOM 895 CD1 ILE A 443 -7.340 -6.600 -5.397 1.00 0.00 C ATOM 0 H ILE A 443 -7.774 -3.140 -4.121 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.776 -2.668 -6.098 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.585 -5.271 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.073 -4.625 -4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -8.466 -5.467 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -7.528 -5.050 -7.568 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -8.672 -3.723 -7.876 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.241 -3.445 -6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -6.711 -7.046 -4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -8.160 -7.278 -5.633 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -6.745 -6.424 -6.293 1.00 0.00 H new ATOM 907 N ARG A 444 -11.867 -3.752 -5.196 1.00 0.00 N ATOM 908 CA ARG A 444 -13.120 -4.083 -4.586 1.00 0.00 C ATOM 909 C ARG A 444 -13.148 -5.542 -4.202 1.00 0.00 C ATOM 910 O ARG A 444 -13.158 -6.433 -5.053 1.00 0.00 O ATOM 911 CB ARG A 444 -14.248 -3.740 -5.546 1.00 0.00 C ATOM 912 CG ARG A 444 -15.609 -4.026 -4.980 1.00 0.00 C ATOM 913 CD ARG A 444 -16.707 -3.703 -5.978 1.00 0.00 C ATOM 914 NE ARG A 444 -16.538 -4.451 -7.224 1.00 0.00 N ATOM 915 CZ ARG A 444 -16.480 -3.888 -8.430 1.00 0.00 C ATOM 916 NH1 ARG A 444 -16.673 -2.580 -8.570 1.00 0.00 N ATOM 917 NH2 ARG A 444 -16.249 -4.638 -9.500 1.00 0.00 N ATOM 0 H ARG A 444 -11.933 -3.518 -6.187 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.250 -3.503 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.185 -2.684 -5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.118 -4.307 -6.468 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -15.672 -5.076 -4.695 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -15.757 -3.440 -4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -17.678 -3.937 -5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.703 -2.634 -6.191 1.00 0.00 H new ATOM 0 HE ARG A 444 -16.460 -5.466 -7.166 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -16.867 -2.003 -7.752 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -16.627 -2.154 -9.496 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -16.116 -5.644 -9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -16.204 -4.208 -10.424 1.00 0.00 H new ATOM 931 N VAL A 445 -13.158 -5.765 -2.907 1.00 0.00 N ATOM 932 CA VAL A 445 -13.077 -7.094 -2.356 1.00 0.00 C ATOM 933 C VAL A 445 -14.476 -7.608 -2.043 1.00 0.00 C ATOM 934 O VAL A 445 -14.679 -8.779 -1.719 1.00 0.00 O ATOM 935 CB VAL A 445 -12.198 -7.083 -1.088 1.00 0.00 C ATOM 936 CG1 VAL A 445 -12.911 -6.406 0.075 1.00 0.00 C ATOM 937 CG2 VAL A 445 -11.746 -8.488 -0.720 1.00 0.00 C ATOM 0 H VAL A 445 -13.223 -5.026 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 445 -12.619 -7.763 -3.085 1.00 0.00 H new ATOM 0 HB VAL A 445 -11.306 -6.497 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -12.265 -6.415 0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -13.146 -5.376 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -13.833 -6.942 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -11.128 -8.448 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -12.619 -9.114 -0.532 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -11.166 -8.910 -1.541 1.00 0.00 H new ATOM 947 N LYS A 446 -15.441 -6.713 -2.160 1.00 0.00 N ATOM 948 CA LYS A 446 -16.827 -7.037 -1.887 1.00 0.00 C ATOM 949 C LYS A 446 -17.557 -7.347 -3.189 1.00 0.00 C ATOM 950 O LYS A 446 -17.765 -8.541 -3.487 1.00 0.00 O ATOM 951 CB LYS A 446 -17.498 -5.873 -1.159 1.00 0.00 C ATOM 952 CG LYS A 446 -18.881 -6.192 -0.624 1.00 0.00 C ATOM 953 CD LYS A 446 -18.843 -7.350 0.358 1.00 0.00 C ATOM 954 CE LYS A 446 -20.135 -7.446 1.149 1.00 0.00 C ATOM 955 NZ LYS A 446 -20.347 -6.244 1.997 1.00 0.00 N ATOM 956 OXT LYS A 446 -17.895 -6.398 -3.924 1.00 0.00 O ATOM 0 H LYS A 446 -15.286 -5.746 -2.446 1.00 0.00 H new ATOM 0 HA LYS A 446 -16.870 -7.919 -1.248 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -16.862 -5.562 -0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -17.570 -5.025 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -19.295 -5.311 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -19.545 -6.437 -1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -18.675 -8.282 -0.182 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -18.004 -7.222 1.042 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -20.975 -7.561 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -20.112 -8.336 1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -20.996 -6.478 2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -19.436 -5.931 2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -20.757 -5.481 1.421 1.00 0.00 H new TER 970 LYS A 446