USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 465 HIS HE2 : A 465 HIS NE2 : A 502 ZNZN :(H bumps) USER MOD NoAdj-H: A 473 HIS HD1 : A 473 HIS ND1 : A 502 ZNZN :(H bumps) USER MOD Single : A 429 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 HIS : no HD1:sc= 0.954 K(o=0.95,f=-6!) USER MOD Single : A 439 SER OG : rot 180:sc= -0.0543 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 441 GLN : amide:sc= -0.778 K(o=-0.78,f=-1.9) USER MOD Single : A 450 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 454 LYS NZ :NH3+ -104:sc= 1.37 (180deg=-0.21) USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 459 SER OG : rot -89:sc= 0.048 USER MOD Single : A 462 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 MET CE :methyl 167:sc=-0.00847 (180deg=-0.24) USER MOD Single : A 472 HIS : no HD1:sc= -0.18 K(o=-0.18,f=-2.6!) USER MOD Single : A 474 SER OG : rot 180:sc= 0 USER MOD Single : A 477 MET CE :methyl 165:sc= -0.0254 (180deg=-0.341) USER MOD Single : A 479 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 480 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 ASN : amide:sc= 0.435 K(o=0.44,f=-5!) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 426 22.326 -14.824 0.523 1.00 0.00 N ATOM 2 CA ILE A 426 21.485 -13.879 1.290 1.00 0.00 C ATOM 3 C ILE A 426 21.512 -14.223 2.776 1.00 0.00 C ATOM 4 O ILE A 426 21.917 -15.322 3.153 1.00 0.00 O ATOM 5 CB ILE A 426 20.044 -13.848 0.762 1.00 0.00 C ATOM 6 CG1 ILE A 426 19.380 -15.226 0.888 1.00 0.00 C ATOM 7 CG2 ILE A 426 20.039 -13.362 -0.687 1.00 0.00 C ATOM 8 CD1 ILE A 426 17.906 -15.186 0.474 1.00 0.00 C ATOM 0 HA ILE A 426 21.902 -12.881 1.158 1.00 0.00 H new ATOM 0 HB ILE A 426 19.461 -13.153 1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 426 19.913 -15.945 0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 426 19.459 -15.575 1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 426 19.015 -13.341 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 426 20.464 -12.359 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 426 20.634 -14.039 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 426 17.472 -16.180 0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 426 17.367 -14.487 1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 426 17.828 -14.862 -0.564 1.00 0.00 H new ATOM 22 N ASP A 427 21.083 -13.286 3.623 1.00 0.00 N ATOM 23 CA ASP A 427 21.059 -13.479 5.067 1.00 0.00 C ATOM 24 C ASP A 427 19.885 -12.708 5.675 1.00 0.00 C ATOM 25 O ASP A 427 19.637 -11.566 5.290 1.00 0.00 O ATOM 26 CB ASP A 427 22.397 -12.999 5.640 1.00 0.00 C ATOM 27 CG ASP A 427 22.530 -13.318 7.125 1.00 0.00 C ATOM 28 OD1 ASP A 427 21.973 -12.541 7.924 1.00 0.00 O ATOM 29 OD2 ASP A 427 23.189 -14.332 7.443 1.00 0.00 O ATOM 0 H ASP A 427 20.743 -12.372 3.323 1.00 0.00 H new ATOM 0 HA ASP A 427 20.923 -14.533 5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 427 23.215 -13.469 5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 427 22.490 -11.923 5.491 1.00 0.00 H new ATOM 34 N PRO A 428 19.149 -13.308 6.626 1.00 0.00 N ATOM 35 CA PRO A 428 17.944 -12.734 7.212 1.00 0.00 C ATOM 36 C PRO A 428 18.222 -11.525 8.103 1.00 0.00 C ATOM 37 O PRO A 428 17.278 -10.886 8.570 1.00 0.00 O ATOM 38 CB PRO A 428 17.308 -13.876 8.005 1.00 0.00 C ATOM 39 CG PRO A 428 18.511 -14.722 8.415 1.00 0.00 C ATOM 40 CD PRO A 428 19.419 -14.618 7.191 1.00 0.00 C ATOM 0 HA PRO A 428 17.286 -12.346 6.435 1.00 0.00 H new ATOM 0 HB2 PRO A 428 16.759 -13.508 8.872 1.00 0.00 H new ATOM 0 HB3 PRO A 428 16.603 -14.444 7.399 1.00 0.00 H new ATOM 0 HG2 PRO A 428 18.993 -14.334 9.312 1.00 0.00 H new ATOM 0 HG3 PRO A 428 18.229 -15.754 8.625 1.00 0.00 H new ATOM 0 HD2 PRO A 428 20.468 -14.718 7.469 1.00 0.00 H new ATOM 0 HD3 PRO A 428 19.203 -15.409 6.472 1.00 0.00 H new ATOM 48 N TYR A 429 19.498 -11.199 8.352 1.00 0.00 N ATOM 49 CA TYR A 429 19.876 -10.035 9.142 1.00 0.00 C ATOM 50 C TYR A 429 20.412 -8.915 8.251 1.00 0.00 C ATOM 51 O TYR A 429 20.740 -7.838 8.749 1.00 0.00 O ATOM 52 CB TYR A 429 20.888 -10.466 10.207 1.00 0.00 C ATOM 53 CG TYR A 429 21.248 -9.383 11.201 1.00 0.00 C ATOM 54 CD1 TYR A 429 20.296 -8.954 12.138 1.00 0.00 C ATOM 55 CD2 TYR A 429 22.530 -8.813 11.185 1.00 0.00 C ATOM 56 CE1 TYR A 429 20.623 -7.945 13.062 1.00 0.00 C ATOM 57 CE2 TYR A 429 22.862 -7.812 12.109 1.00 0.00 C ATOM 58 CZ TYR A 429 21.910 -7.375 13.048 1.00 0.00 C ATOM 59 OH TYR A 429 22.229 -6.398 13.944 1.00 0.00 O ATOM 0 H TYR A 429 20.292 -11.739 8.008 1.00 0.00 H new ATOM 0 HA TYR A 429 18.998 -9.629 9.644 1.00 0.00 H new ATOM 0 HB2 TYR A 429 20.484 -11.321 10.750 1.00 0.00 H new ATOM 0 HB3 TYR A 429 21.798 -10.804 9.711 1.00 0.00 H new ATOM 0 HD1 TYR A 429 19.312 -9.399 12.150 1.00 0.00 H new ATOM 0 HD2 TYR A 429 23.260 -9.145 10.462 1.00 0.00 H new ATOM 0 HE1 TYR A 429 19.889 -7.609 13.780 1.00 0.00 H new ATOM 0 HE2 TYR A 429 23.850 -7.376 12.100 1.00 0.00 H new ATOM 0 HH TYR A 429 23.156 -6.113 13.801 1.00 0.00 H new ATOM 69 N LEU A 430 20.503 -9.159 6.941 1.00 0.00 N ATOM 70 CA LEU A 430 20.998 -8.181 5.981 1.00 0.00 C ATOM 71 C LEU A 430 19.982 -7.929 4.866 1.00 0.00 C ATOM 72 O LEU A 430 20.187 -7.050 4.029 1.00 0.00 O ATOM 73 CB LEU A 430 22.332 -8.675 5.400 1.00 0.00 C ATOM 74 CG LEU A 430 23.424 -8.830 6.471 1.00 0.00 C ATOM 75 CD1 LEU A 430 24.674 -9.412 5.814 1.00 0.00 C ATOM 76 CD2 LEU A 430 23.785 -7.484 7.103 1.00 0.00 C ATOM 0 H LEU A 430 20.233 -10.047 6.519 1.00 0.00 H new ATOM 0 HA LEU A 430 21.154 -7.232 6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 430 22.175 -9.633 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 430 22.673 -7.975 4.638 1.00 0.00 H new ATOM 0 HG LEU A 430 23.047 -9.488 7.254 1.00 0.00 H new ATOM 0 HD11 LEU A 430 25.458 -9.528 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 430 24.439 -10.385 5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 430 25.019 -8.740 5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 430 24.560 -7.631 7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 430 24.152 -6.807 6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 430 22.900 -7.054 7.573 1.00 0.00 H new ATOM 88 N GLU A 431 18.886 -8.692 4.849 1.00 0.00 N ATOM 89 CA GLU A 431 17.835 -8.544 3.856 1.00 0.00 C ATOM 90 C GLU A 431 16.488 -8.942 4.459 1.00 0.00 C ATOM 91 O GLU A 431 16.424 -9.804 5.337 1.00 0.00 O ATOM 92 CB GLU A 431 18.173 -9.411 2.641 1.00 0.00 C ATOM 93 CG GLU A 431 17.155 -9.225 1.518 1.00 0.00 C ATOM 94 CD GLU A 431 17.560 -10.022 0.282 1.00 0.00 C ATOM 95 OE1 GLU A 431 18.350 -9.482 -0.523 1.00 0.00 O ATOM 96 OE2 GLU A 431 17.072 -11.168 0.149 1.00 0.00 O ATOM 0 H GLU A 431 18.708 -9.431 5.529 1.00 0.00 H new ATOM 0 HA GLU A 431 17.765 -7.504 3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 431 19.168 -9.156 2.277 1.00 0.00 H new ATOM 0 HB3 GLU A 431 18.201 -10.459 2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 431 16.170 -9.547 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 431 17.075 -8.168 1.265 1.00 0.00 H new ATOM 103 N ASP A 432 15.410 -8.312 3.983 1.00 0.00 N ATOM 104 CA ASP A 432 14.060 -8.593 4.446 1.00 0.00 C ATOM 105 C ASP A 432 13.047 -8.316 3.329 1.00 0.00 C ATOM 106 O ASP A 432 13.311 -7.506 2.441 1.00 0.00 O ATOM 107 CB ASP A 432 13.760 -7.725 5.670 1.00 0.00 C ATOM 108 CG ASP A 432 12.343 -7.944 6.189 1.00 0.00 C ATOM 109 OD1 ASP A 432 11.906 -9.117 6.209 1.00 0.00 O ATOM 110 OD2 ASP A 432 11.709 -6.930 6.560 1.00 0.00 O ATOM 0 H ASP A 432 15.456 -7.591 3.263 1.00 0.00 H new ATOM 0 HA ASP A 432 13.980 -9.644 4.722 1.00 0.00 H new ATOM 0 HB2 ASP A 432 14.475 -7.952 6.460 1.00 0.00 H new ATOM 0 HB3 ASP A 432 13.894 -6.675 5.412 1.00 0.00 H new ATOM 115 N SER A 433 11.897 -8.988 3.389 1.00 0.00 N ATOM 116 CA SER A 433 10.843 -8.851 2.391 1.00 0.00 C ATOM 117 C SER A 433 9.453 -8.961 3.015 1.00 0.00 C ATOM 118 O SER A 433 8.456 -8.950 2.294 1.00 0.00 O ATOM 119 CB SER A 433 11.003 -9.926 1.309 1.00 0.00 C ATOM 120 OG SER A 433 12.283 -9.856 0.715 1.00 0.00 O ATOM 0 H SER A 433 11.672 -9.645 4.136 1.00 0.00 H new ATOM 0 HA SER A 433 10.938 -7.860 1.948 1.00 0.00 H new ATOM 0 HB2 SER A 433 10.854 -10.913 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 433 10.236 -9.797 0.546 1.00 0.00 H new ATOM 0 HG SER A 433 12.364 -10.551 0.029 1.00 0.00 H new ATOM 126 N LEU A 434 9.376 -9.073 4.346 1.00 0.00 N ATOM 127 CA LEU A 434 8.121 -9.211 5.063 1.00 0.00 C ATOM 128 C LEU A 434 7.341 -7.900 4.988 1.00 0.00 C ATOM 129 O LEU A 434 7.941 -6.832 4.862 1.00 0.00 O ATOM 130 CB LEU A 434 8.465 -9.608 6.502 1.00 0.00 C ATOM 131 CG LEU A 434 7.263 -9.965 7.364 1.00 0.00 C ATOM 132 CD1 LEU A 434 6.426 -11.087 6.756 1.00 0.00 C ATOM 133 CD2 LEU A 434 7.767 -10.446 8.723 1.00 0.00 C ATOM 0 H LEU A 434 10.195 -9.069 4.953 1.00 0.00 H new ATOM 0 HA LEU A 434 7.482 -9.978 4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 434 9.144 -10.460 6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 434 9.003 -8.785 6.974 1.00 0.00 H new ATOM 0 HG LEU A 434 6.639 -9.075 7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 434 5.580 -11.305 7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 434 6.059 -10.778 5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 434 7.040 -11.981 6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 434 6.918 -10.706 9.355 1.00 0.00 H new ATOM 0 HD22 LEU A 434 8.400 -11.323 8.587 1.00 0.00 H new ATOM 0 HD23 LEU A 434 8.343 -9.653 9.199 1.00 0.00 H new ATOM 145 N CYS A 435 6.008 -7.967 5.067 1.00 0.00 N ATOM 146 CA CYS A 435 5.181 -6.770 5.058 1.00 0.00 C ATOM 147 C CYS A 435 5.585 -5.878 6.230 1.00 0.00 C ATOM 148 O CYS A 435 5.811 -6.371 7.334 1.00 0.00 O ATOM 149 CB CYS A 435 3.708 -7.182 5.110 1.00 0.00 C ATOM 150 SG CYS A 435 2.656 -5.713 5.142 1.00 0.00 S ATOM 0 H CYS A 435 5.485 -8.840 5.138 1.00 0.00 H new ATOM 0 HA CYS A 435 5.328 -6.195 4.144 1.00 0.00 H new ATOM 0 HB2 CYS A 435 3.463 -7.796 4.243 1.00 0.00 H new ATOM 0 HB3 CYS A 435 3.523 -7.791 5.995 1.00 0.00 H new ATOM 155 N HIS A 436 5.679 -4.562 6.006 1.00 0.00 N ATOM 156 CA HIS A 436 6.240 -3.656 6.999 1.00 0.00 C ATOM 157 C HIS A 436 5.185 -2.901 7.807 1.00 0.00 C ATOM 158 O HIS A 436 5.547 -2.069 8.636 1.00 0.00 O ATOM 159 CB HIS A 436 7.221 -2.700 6.319 1.00 0.00 C ATOM 160 CG HIS A 436 8.472 -3.383 5.823 1.00 0.00 C ATOM 161 ND1 HIS A 436 9.119 -3.118 4.612 1.00 0.00 N ATOM 162 CD2 HIS A 436 9.156 -4.353 6.496 1.00 0.00 C ATOM 163 CE1 HIS A 436 10.181 -3.938 4.590 1.00 0.00 C ATOM 164 NE2 HIS A 436 10.226 -4.696 5.703 1.00 0.00 N ATOM 0 H HIS A 436 5.373 -4.107 5.146 1.00 0.00 H new ATOM 0 HA HIS A 436 6.771 -4.265 7.731 1.00 0.00 H new ATOM 0 HB2 HIS A 436 6.723 -2.215 5.479 1.00 0.00 H new ATOM 0 HB3 HIS A 436 7.498 -1.914 7.022 1.00 0.00 H new ATOM 0 HD2 HIS A 436 8.906 -4.769 7.461 1.00 0.00 H new ATOM 0 HE1 HIS A 436 10.903 -3.984 3.788 1.00 0.00 H new ATOM 0 HE2 HIS A 436 10.931 -5.401 5.920 1.00 0.00 H new ATOM 172 N ILE A 437 3.898 -3.174 7.580 1.00 0.00 N ATOM 173 CA ILE A 437 2.835 -2.521 8.337 1.00 0.00 C ATOM 174 C ILE A 437 2.107 -3.532 9.224 1.00 0.00 C ATOM 175 O ILE A 437 1.495 -3.148 10.221 1.00 0.00 O ATOM 176 CB ILE A 437 1.851 -1.838 7.380 1.00 0.00 C ATOM 177 CG1 ILE A 437 2.551 -0.940 6.355 1.00 0.00 C ATOM 178 CG2 ILE A 437 0.840 -1.004 8.171 1.00 0.00 C ATOM 179 CD1 ILE A 437 3.329 0.221 6.982 1.00 0.00 C ATOM 0 H ILE A 437 3.571 -3.840 6.881 1.00 0.00 H new ATOM 0 HA ILE A 437 3.280 -1.763 8.981 1.00 0.00 H new ATOM 0 HB ILE A 437 1.343 -2.632 6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 437 3.236 -1.546 5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 437 1.806 -0.538 5.669 1.00 0.00 H new ATOM 0 HG21 ILE A 437 0.146 -0.523 7.481 1.00 0.00 H new ATOM 0 HG22 ILE A 437 0.286 -1.652 8.850 1.00 0.00 H new ATOM 0 HG23 ILE A 437 1.367 -0.242 8.745 1.00 0.00 H new ATOM 0 HD11 ILE A 437 3.797 0.812 6.195 1.00 0.00 H new ATOM 0 HD12 ILE A 437 2.646 0.851 7.552 1.00 0.00 H new ATOM 0 HD13 ILE A 437 4.098 -0.173 7.646 1.00 0.00 H new ATOM 191 N CYS A 438 2.167 -4.816 8.866 1.00 0.00 N ATOM 192 CA CYS A 438 1.452 -5.860 9.586 1.00 0.00 C ATOM 193 C CYS A 438 2.221 -7.184 9.643 1.00 0.00 C ATOM 194 O CYS A 438 1.893 -8.031 10.474 1.00 0.00 O ATOM 195 CB CYS A 438 0.086 -6.050 8.920 1.00 0.00 C ATOM 196 SG CYS A 438 0.296 -6.247 7.132 1.00 0.00 S ATOM 0 H CYS A 438 2.711 -5.156 8.073 1.00 0.00 H new ATOM 0 HA CYS A 438 1.335 -5.545 10.623 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.412 -6.926 9.335 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -0.553 -5.191 9.128 1.00 0.00 H new ATOM 201 N SER A 439 3.230 -7.371 8.776 1.00 0.00 N ATOM 202 CA SER A 439 4.096 -8.551 8.756 1.00 0.00 C ATOM 203 C SER A 439 3.341 -9.875 8.915 1.00 0.00 C ATOM 204 O SER A 439 3.877 -10.834 9.469 1.00 0.00 O ATOM 205 CB SER A 439 5.253 -8.411 9.754 1.00 0.00 C ATOM 206 OG SER A 439 4.811 -7.929 11.007 1.00 0.00 O ATOM 0 H SER A 439 3.467 -6.689 8.056 1.00 0.00 H new ATOM 0 HA SER A 439 4.526 -8.594 7.755 1.00 0.00 H new ATOM 0 HB2 SER A 439 5.737 -9.379 9.887 1.00 0.00 H new ATOM 0 HB3 SER A 439 6.003 -7.732 9.348 1.00 0.00 H new ATOM 0 HG SER A 439 5.575 -7.854 11.617 1.00 0.00 H new ATOM 212 N SER A 440 2.095 -9.936 8.434 1.00 0.00 N ATOM 213 CA SER A 440 1.272 -11.131 8.552 1.00 0.00 C ATOM 214 C SER A 440 1.521 -12.091 7.390 1.00 0.00 C ATOM 215 O SER A 440 1.183 -13.272 7.463 1.00 0.00 O ATOM 216 CB SER A 440 -0.194 -10.709 8.602 1.00 0.00 C ATOM 217 OG SER A 440 -1.010 -11.806 8.961 1.00 0.00 O ATOM 0 H SER A 440 1.636 -9.161 7.956 1.00 0.00 H new ATOM 0 HA SER A 440 1.535 -11.662 9.467 1.00 0.00 H new ATOM 0 HB2 SER A 440 -0.322 -9.901 9.322 1.00 0.00 H new ATOM 0 HB3 SER A 440 -0.501 -10.322 7.631 1.00 0.00 H new ATOM 0 HG SER A 440 -1.947 -11.521 8.991 1.00 0.00 H new ATOM 223 N GLN A 441 2.119 -11.578 6.312 1.00 0.00 N ATOM 224 CA GLN A 441 2.437 -12.346 5.118 1.00 0.00 C ATOM 225 C GLN A 441 3.684 -11.755 4.457 1.00 0.00 C ATOM 226 O GLN A 441 3.983 -10.583 4.683 1.00 0.00 O ATOM 227 CB GLN A 441 1.210 -12.364 4.199 1.00 0.00 C ATOM 228 CG GLN A 441 0.779 -10.969 3.752 1.00 0.00 C ATOM 229 CD GLN A 441 -0.531 -11.044 2.985 1.00 0.00 C ATOM 230 OE1 GLN A 441 -0.540 -11.076 1.757 1.00 0.00 O ATOM 231 NE2 GLN A 441 -1.654 -11.074 3.701 1.00 0.00 N ATOM 0 H GLN A 441 2.399 -10.599 6.249 1.00 0.00 H new ATOM 0 HA GLN A 441 2.671 -13.383 5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 441 1.430 -12.969 3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 441 0.381 -12.845 4.718 1.00 0.00 H new ATOM 0 HG2 GLN A 441 0.664 -10.321 4.621 1.00 0.00 H new ATOM 0 HG3 GLN A 441 1.552 -10.526 3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 441 -1.610 -11.046 4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -2.558 -11.125 3.231 1.00 0.00 H new ATOM 240 N PRO A 442 4.414 -12.540 3.650 1.00 0.00 N ATOM 241 CA PRO A 442 5.714 -12.188 3.078 1.00 0.00 C ATOM 242 C PRO A 442 5.674 -11.056 2.042 1.00 0.00 C ATOM 243 O PRO A 442 6.513 -11.018 1.143 1.00 0.00 O ATOM 244 CB PRO A 442 6.275 -13.495 2.505 1.00 0.00 C ATOM 245 CG PRO A 442 5.014 -14.264 2.125 1.00 0.00 C ATOM 246 CD PRO A 442 4.052 -13.890 3.248 1.00 0.00 C ATOM 0 HA PRO A 442 6.359 -11.770 3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 442 6.916 -13.316 1.642 1.00 0.00 H new ATOM 0 HB3 PRO A 442 6.873 -14.035 3.239 1.00 0.00 H new ATOM 0 HG2 PRO A 442 4.634 -13.964 1.148 1.00 0.00 H new ATOM 0 HG3 PRO A 442 5.191 -15.339 2.082 1.00 0.00 H new ATOM 0 HD2 PRO A 442 3.018 -13.932 2.906 1.00 0.00 H new ATOM 0 HD3 PRO A 442 4.140 -14.583 4.084 1.00 0.00 H new ATOM 254 N GLY A 443 4.718 -10.132 2.153 1.00 0.00 N ATOM 255 CA GLY A 443 4.653 -8.936 1.331 1.00 0.00 C ATOM 256 C GLY A 443 4.559 -9.261 -0.158 1.00 0.00 C ATOM 257 O GLY A 443 5.571 -9.214 -0.857 1.00 0.00 O ATOM 0 H GLY A 443 3.958 -10.201 2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 443 3.788 -8.341 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 443 5.537 -8.325 1.512 1.00 0.00 H new ATOM 261 N PRO A 444 3.360 -9.590 -0.654 1.00 0.00 N ATOM 262 CA PRO A 444 3.133 -9.926 -2.047 1.00 0.00 C ATOM 263 C PRO A 444 3.236 -8.694 -2.943 1.00 0.00 C ATOM 264 O PRO A 444 3.240 -8.830 -4.166 1.00 0.00 O ATOM 265 CB PRO A 444 1.715 -10.504 -2.085 1.00 0.00 C ATOM 266 CG PRO A 444 1.023 -9.754 -0.952 1.00 0.00 C ATOM 267 CD PRO A 444 2.123 -9.659 0.099 1.00 0.00 C ATOM 0 HA PRO A 444 3.879 -10.629 -2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 444 1.230 -10.327 -3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 444 1.711 -11.581 -1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 444 0.677 -8.770 -1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 444 0.152 -10.294 -0.580 1.00 0.00 H new ATOM 0 HD2 PRO A 444 1.994 -8.777 0.726 1.00 0.00 H new ATOM 0 HD3 PRO A 444 2.112 -10.525 0.761 1.00 0.00 H new ATOM 275 N PHE A 445 3.321 -7.496 -2.350 1.00 0.00 N ATOM 276 CA PHE A 445 3.395 -6.252 -3.098 1.00 0.00 C ATOM 277 C PHE A 445 4.475 -5.322 -2.549 1.00 0.00 C ATOM 278 O PHE A 445 4.942 -5.479 -1.424 1.00 0.00 O ATOM 279 CB PHE A 445 2.034 -5.553 -3.055 1.00 0.00 C ATOM 280 CG PHE A 445 0.902 -6.367 -3.638 1.00 0.00 C ATOM 281 CD1 PHE A 445 0.895 -6.679 -5.006 1.00 0.00 C ATOM 282 CD2 PHE A 445 -0.143 -6.810 -2.814 1.00 0.00 C ATOM 283 CE1 PHE A 445 -0.160 -7.429 -5.550 1.00 0.00 C ATOM 284 CE2 PHE A 445 -1.193 -7.564 -3.357 1.00 0.00 C ATOM 285 CZ PHE A 445 -1.203 -7.871 -4.723 1.00 0.00 C ATOM 0 H PHE A 445 3.340 -7.371 -1.338 1.00 0.00 H new ATOM 0 HA PHE A 445 3.661 -6.491 -4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 445 1.796 -5.309 -2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 445 2.105 -4.610 -3.597 1.00 0.00 H new ATOM 0 HD1 PHE A 445 1.701 -6.342 -5.641 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.139 -6.570 -1.761 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -0.168 -7.665 -6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -1.995 -7.908 -2.721 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.015 -8.449 -5.140 1.00 0.00 H new ATOM 295 N PHE A 446 4.861 -4.345 -3.373 1.00 0.00 N ATOM 296 CA PHE A 446 5.795 -3.289 -3.022 1.00 0.00 C ATOM 297 C PHE A 446 5.292 -1.987 -3.644 1.00 0.00 C ATOM 298 O PHE A 446 4.555 -2.025 -4.629 1.00 0.00 O ATOM 299 CB PHE A 446 7.191 -3.648 -3.535 1.00 0.00 C ATOM 300 CG PHE A 446 8.256 -2.621 -3.221 1.00 0.00 C ATOM 301 CD1 PHE A 446 8.873 -2.613 -1.962 1.00 0.00 C ATOM 302 CD2 PHE A 446 8.630 -1.669 -4.181 1.00 0.00 C ATOM 303 CE1 PHE A 446 9.863 -1.664 -1.661 1.00 0.00 C ATOM 304 CE2 PHE A 446 9.620 -0.720 -3.883 1.00 0.00 C ATOM 305 CZ PHE A 446 10.235 -0.716 -2.622 1.00 0.00 C ATOM 0 H PHE A 446 4.518 -4.271 -4.331 1.00 0.00 H new ATOM 0 HA PHE A 446 5.861 -3.169 -1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 446 7.488 -4.604 -3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 446 7.143 -3.785 -4.615 1.00 0.00 H new ATOM 0 HD1 PHE A 446 8.585 -3.342 -1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 446 8.155 -1.666 -5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 446 10.337 -1.665 -0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 446 9.909 0.009 -4.626 1.00 0.00 H new ATOM 0 HZ PHE A 446 10.994 0.017 -2.393 1.00 0.00 H new ATOM 315 N CYS A 447 5.689 -0.849 -3.074 1.00 0.00 N ATOM 316 CA CYS A 447 5.261 0.457 -3.550 1.00 0.00 C ATOM 317 C CYS A 447 6.473 1.366 -3.693 1.00 0.00 C ATOM 318 O CYS A 447 7.315 1.437 -2.798 1.00 0.00 O ATOM 319 CB CYS A 447 4.190 1.003 -2.606 1.00 0.00 C ATOM 320 SG CYS A 447 3.412 2.467 -3.339 1.00 0.00 S ATOM 0 H CYS A 447 6.316 -0.812 -2.270 1.00 0.00 H new ATOM 0 HA CYS A 447 4.808 0.391 -4.539 1.00 0.00 H new ATOM 0 HB2 CYS A 447 3.438 0.238 -2.414 1.00 0.00 H new ATOM 0 HB3 CYS A 447 4.636 1.260 -1.645 1.00 0.00 H new ATOM 325 N ARG A 448 6.550 2.058 -4.835 1.00 0.00 N ATOM 326 CA ARG A 448 7.702 2.853 -5.214 1.00 0.00 C ATOM 327 C ARG A 448 7.265 4.273 -5.555 1.00 0.00 C ATOM 328 O ARG A 448 6.998 4.596 -6.713 1.00 0.00 O ATOM 329 CB ARG A 448 8.376 2.158 -6.396 1.00 0.00 C ATOM 330 CG ARG A 448 9.648 2.877 -6.840 1.00 0.00 C ATOM 331 CD ARG A 448 10.214 2.148 -8.059 1.00 0.00 C ATOM 332 NE ARG A 448 10.735 0.823 -7.700 1.00 0.00 N ATOM 333 CZ ARG A 448 10.939 -0.165 -8.573 1.00 0.00 C ATOM 334 NH1 ARG A 448 10.670 0.001 -9.866 1.00 0.00 N ATOM 335 NH2 ARG A 448 11.412 -1.337 -8.151 1.00 0.00 N ATOM 0 H ARG A 448 5.799 2.076 -5.525 1.00 0.00 H new ATOM 0 HA ARG A 448 8.415 2.933 -4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 448 8.618 1.131 -6.121 1.00 0.00 H new ATOM 0 HB3 ARG A 448 7.678 2.108 -7.232 1.00 0.00 H new ATOM 0 HG2 ARG A 448 9.430 3.916 -7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 448 10.379 2.888 -6.032 1.00 0.00 H new ATOM 0 HD2 ARG A 448 9.435 2.041 -8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 448 11.010 2.745 -8.504 1.00 0.00 H new ATOM 0 HE ARG A 448 10.955 0.647 -6.720 1.00 0.00 H new ATOM 0 HH11 ARG A 448 10.303 0.892 -10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 448 10.831 -0.763 -10.523 1.00 0.00 H new ATOM 0 HH21 ARG A 448 11.618 -1.478 -7.162 1.00 0.00 H new ATOM 0 HH22 ARG A 448 11.569 -2.093 -8.817 1.00 0.00 H new ATOM 349 N ASP A 449 7.198 5.121 -4.532 1.00 0.00 N ATOM 350 CA ASP A 449 6.855 6.530 -4.687 1.00 0.00 C ATOM 351 C ASP A 449 7.748 7.418 -3.819 1.00 0.00 C ATOM 352 O ASP A 449 8.656 6.933 -3.145 1.00 0.00 O ATOM 353 CB ASP A 449 5.387 6.730 -4.320 1.00 0.00 C ATOM 354 CG ASP A 449 4.853 8.046 -4.884 1.00 0.00 C ATOM 355 OD1 ASP A 449 4.879 8.200 -6.123 1.00 0.00 O ATOM 356 OD2 ASP A 449 4.422 8.889 -4.066 1.00 0.00 O ATOM 0 H ASP A 449 7.381 4.847 -3.567 1.00 0.00 H new ATOM 0 HA ASP A 449 7.017 6.819 -5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 449 4.796 5.899 -4.706 1.00 0.00 H new ATOM 0 HB3 ASP A 449 5.276 6.724 -3.236 1.00 0.00 H new ATOM 361 N GLN A 450 7.494 8.729 -3.828 1.00 0.00 N ATOM 362 CA GLN A 450 8.227 9.676 -3.001 1.00 0.00 C ATOM 363 C GLN A 450 7.862 9.511 -1.523 1.00 0.00 C ATOM 364 O GLN A 450 8.506 10.105 -0.656 1.00 0.00 O ATOM 365 CB GLN A 450 7.916 11.103 -3.465 1.00 0.00 C ATOM 366 CG GLN A 450 8.319 11.305 -4.928 1.00 0.00 C ATOM 367 CD GLN A 450 8.078 12.737 -5.395 1.00 0.00 C ATOM 368 OE1 GLN A 450 7.627 13.591 -4.632 1.00 0.00 O ATOM 369 NE2 GLN A 450 8.378 13.020 -6.659 1.00 0.00 N ATOM 0 H GLN A 450 6.774 9.158 -4.410 1.00 0.00 H new ATOM 0 HA GLN A 450 9.294 9.481 -3.107 1.00 0.00 H new ATOM 0 HB2 GLN A 450 6.851 11.304 -3.346 1.00 0.00 H new ATOM 0 HB3 GLN A 450 8.447 11.817 -2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 450 9.373 11.056 -5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 450 7.754 10.618 -5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 450 8.750 12.293 -7.270 1.00 0.00 H new ATOM 0 HE22 GLN A 450 8.236 13.964 -7.018 1.00 0.00 H new ATOM 378 N VAL A 451 6.834 8.708 -1.228 1.00 0.00 N ATOM 379 CA VAL A 451 6.390 8.454 0.141 1.00 0.00 C ATOM 380 C VAL A 451 6.254 6.956 0.420 1.00 0.00 C ATOM 381 O VAL A 451 6.121 6.565 1.580 1.00 0.00 O ATOM 382 CB VAL A 451 5.069 9.183 0.412 1.00 0.00 C ATOM 383 CG1 VAL A 451 5.206 10.679 0.127 1.00 0.00 C ATOM 384 CG2 VAL A 451 3.935 8.620 -0.447 1.00 0.00 C ATOM 0 H VAL A 451 6.287 8.216 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 451 7.150 8.842 0.820 1.00 0.00 H new ATOM 0 HB VAL A 451 4.830 9.030 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 451 4.256 11.176 0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 451 5.979 11.102 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 451 5.481 10.827 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 451 3.013 9.159 -0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 451 4.185 8.737 -1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 451 3.799 7.562 -0.222 1.00 0.00 H new ATOM 394 N CYS A 452 6.287 6.121 -0.624 1.00 0.00 N ATOM 395 CA CYS A 452 6.230 4.676 -0.470 1.00 0.00 C ATOM 396 C CYS A 452 7.571 4.059 -0.866 1.00 0.00 C ATOM 397 O CYS A 452 8.087 4.339 -1.943 1.00 0.00 O ATOM 398 CB CYS A 452 5.115 4.111 -1.348 1.00 0.00 C ATOM 399 SG CYS A 452 3.475 4.689 -0.818 1.00 0.00 S ATOM 0 H CYS A 452 6.354 6.433 -1.593 1.00 0.00 H new ATOM 0 HA CYS A 452 6.023 4.432 0.572 1.00 0.00 H new ATOM 0 HB2 CYS A 452 5.285 4.403 -2.384 1.00 0.00 H new ATOM 0 HB3 CYS A 452 5.144 3.022 -1.315 1.00 0.00 H new ATOM 404 N PHE A 453 8.133 3.215 0.003 1.00 0.00 N ATOM 405 CA PHE A 453 9.401 2.550 -0.264 1.00 0.00 C ATOM 406 C PHE A 453 9.535 1.264 0.551 1.00 0.00 C ATOM 407 O PHE A 453 10.646 0.854 0.889 1.00 0.00 O ATOM 408 CB PHE A 453 10.564 3.516 -0.010 1.00 0.00 C ATOM 409 CG PHE A 453 10.617 4.113 1.378 1.00 0.00 C ATOM 410 CD1 PHE A 453 9.848 5.245 1.684 1.00 0.00 C ATOM 411 CD2 PHE A 453 11.445 3.548 2.359 1.00 0.00 C ATOM 412 CE1 PHE A 453 9.909 5.815 2.962 1.00 0.00 C ATOM 413 CE2 PHE A 453 11.505 4.115 3.641 1.00 0.00 C ATOM 414 CZ PHE A 453 10.742 5.253 3.941 1.00 0.00 C ATOM 0 H PHE A 453 7.721 2.977 0.905 1.00 0.00 H new ATOM 0 HA PHE A 453 9.430 2.258 -1.314 1.00 0.00 H new ATOM 0 HB2 PHE A 453 11.500 2.989 -0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 453 10.505 4.328 -0.735 1.00 0.00 H new ATOM 0 HD1 PHE A 453 9.206 5.679 0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 453 12.037 2.675 2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 453 9.315 6.687 3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 453 12.139 3.675 4.397 1.00 0.00 H new ATOM 0 HZ PHE A 453 10.796 5.696 4.924 1.00 0.00 H new ATOM 424 N LYS A 454 8.409 0.619 0.876 1.00 0.00 N ATOM 425 CA LYS A 454 8.387 -0.573 1.712 1.00 0.00 C ATOM 426 C LYS A 454 7.555 -1.678 1.067 1.00 0.00 C ATOM 427 O LYS A 454 6.863 -1.448 0.074 1.00 0.00 O ATOM 428 CB LYS A 454 7.807 -0.227 3.086 1.00 0.00 C ATOM 429 CG LYS A 454 8.674 0.783 3.840 1.00 0.00 C ATOM 430 CD LYS A 454 8.093 0.982 5.240 1.00 0.00 C ATOM 431 CE LYS A 454 8.928 1.979 6.045 1.00 0.00 C ATOM 432 NZ LYS A 454 8.833 3.344 5.491 1.00 0.00 N ATOM 0 H LYS A 454 7.485 0.916 0.561 1.00 0.00 H new ATOM 0 HA LYS A 454 9.410 -0.934 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 454 6.803 0.179 2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 454 7.713 -1.137 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 454 9.701 0.424 3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 454 8.701 1.732 3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 454 7.066 1.340 5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 454 8.059 0.026 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 454 8.591 1.983 7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 454 9.970 1.660 6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 9.705 3.569 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 8.020 3.401 4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 8.707 4.025 6.267 1.00 0.00 H new ATOM 446 N TYR A 455 7.622 -2.885 1.633 1.00 0.00 N ATOM 447 CA TYR A 455 6.793 -4.000 1.203 1.00 0.00 C ATOM 448 C TYR A 455 5.443 -3.933 1.909 1.00 0.00 C ATOM 449 O TYR A 455 5.347 -3.444 3.035 1.00 0.00 O ATOM 450 CB TYR A 455 7.497 -5.330 1.466 1.00 0.00 C ATOM 451 CG TYR A 455 8.691 -5.565 0.568 1.00 0.00 C ATOM 452 CD1 TYR A 455 8.495 -5.905 -0.775 1.00 0.00 C ATOM 453 CD2 TYR A 455 9.993 -5.441 1.077 1.00 0.00 C ATOM 454 CE1 TYR A 455 9.595 -6.104 -1.621 1.00 0.00 C ATOM 455 CE2 TYR A 455 11.100 -5.645 0.240 1.00 0.00 C ATOM 456 CZ TYR A 455 10.904 -5.977 -1.117 1.00 0.00 C ATOM 457 OH TYR A 455 11.972 -6.172 -1.940 1.00 0.00 O ATOM 0 H TYR A 455 8.254 -3.111 2.401 1.00 0.00 H new ATOM 0 HA TYR A 455 6.625 -3.931 0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 455 7.822 -5.361 2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 455 6.784 -6.143 1.330 1.00 0.00 H new ATOM 0 HD1 TYR A 455 7.492 -6.015 -1.161 1.00 0.00 H new ATOM 0 HD2 TYR A 455 10.143 -5.188 2.116 1.00 0.00 H new ATOM 0 HE1 TYR A 455 9.439 -6.355 -2.660 1.00 0.00 H new ATOM 0 HE2 TYR A 455 12.101 -5.548 0.634 1.00 0.00 H new ATOM 0 HH TYR A 455 12.802 -6.045 -1.435 1.00 0.00 H new ATOM 467 N PHE A 456 4.402 -4.429 1.241 1.00 0.00 N ATOM 468 CA PHE A 456 3.044 -4.386 1.756 1.00 0.00 C ATOM 469 C PHE A 456 2.269 -5.623 1.316 1.00 0.00 C ATOM 470 O PHE A 456 2.728 -6.407 0.485 1.00 0.00 O ATOM 471 CB PHE A 456 2.319 -3.141 1.226 1.00 0.00 C ATOM 472 CG PHE A 456 2.928 -1.804 1.589 1.00 0.00 C ATOM 473 CD1 PHE A 456 2.548 -1.160 2.774 1.00 0.00 C ATOM 474 CD2 PHE A 456 3.863 -1.199 0.734 1.00 0.00 C ATOM 475 CE1 PHE A 456 3.095 0.087 3.103 1.00 0.00 C ATOM 476 CE2 PHE A 456 4.415 0.047 1.065 1.00 0.00 C ATOM 477 CZ PHE A 456 4.031 0.691 2.251 1.00 0.00 C ATOM 0 H PHE A 456 4.482 -4.872 0.326 1.00 0.00 H new ATOM 0 HA PHE A 456 3.095 -4.353 2.844 1.00 0.00 H new ATOM 0 HB2 PHE A 456 2.270 -3.211 0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 456 1.293 -3.160 1.593 1.00 0.00 H new ATOM 0 HD1 PHE A 456 1.832 -1.626 3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 456 4.157 -1.694 -0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 456 2.796 0.584 4.014 1.00 0.00 H new ATOM 0 HE2 PHE A 456 5.135 0.511 0.407 1.00 0.00 H new ATOM 0 HZ PHE A 456 4.456 1.650 2.507 1.00 0.00 H new ATOM 487 N CYS A 457 1.075 -5.780 1.887 1.00 0.00 N ATOM 488 CA CYS A 457 0.105 -6.791 1.516 1.00 0.00 C ATOM 489 C CYS A 457 -1.195 -6.080 1.157 1.00 0.00 C ATOM 490 O CYS A 457 -1.297 -4.865 1.313 1.00 0.00 O ATOM 491 CB CYS A 457 -0.050 -7.802 2.650 1.00 0.00 C ATOM 492 SG CYS A 457 -0.498 -6.955 4.184 1.00 0.00 S ATOM 0 H CYS A 457 0.752 -5.181 2.647 1.00 0.00 H new ATOM 0 HA CYS A 457 0.430 -7.363 0.647 1.00 0.00 H new ATOM 0 HB2 CYS A 457 -0.816 -8.534 2.393 1.00 0.00 H new ATOM 0 HB3 CYS A 457 0.882 -8.351 2.788 1.00 0.00 H new ATOM 497 N ARG A 458 -2.202 -6.808 0.670 1.00 0.00 N ATOM 498 CA ARG A 458 -3.409 -6.166 0.161 1.00 0.00 C ATOM 499 C ARG A 458 -4.128 -5.365 1.250 1.00 0.00 C ATOM 500 O ARG A 458 -4.795 -4.377 0.948 1.00 0.00 O ATOM 501 CB ARG A 458 -4.315 -7.246 -0.437 1.00 0.00 C ATOM 502 CG ARG A 458 -5.480 -6.660 -1.241 1.00 0.00 C ATOM 503 CD ARG A 458 -4.971 -5.815 -2.409 1.00 0.00 C ATOM 504 NE ARG A 458 -6.072 -5.424 -3.298 1.00 0.00 N ATOM 505 CZ ARG A 458 -5.965 -4.501 -4.259 1.00 0.00 C ATOM 506 NH1 ARG A 458 -4.815 -3.869 -4.474 1.00 0.00 N ATOM 507 NH2 ARG A 458 -7.018 -4.203 -5.013 1.00 0.00 N ATOM 0 H ARG A 458 -2.205 -7.827 0.619 1.00 0.00 H new ATOM 0 HA ARG A 458 -3.139 -5.447 -0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 458 -3.723 -7.895 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 458 -4.710 -7.869 0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 458 -6.108 -7.467 -1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 458 -6.104 -6.048 -0.590 1.00 0.00 H new ATOM 0 HD2 ARG A 458 -4.474 -4.923 -2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 458 -4.227 -6.378 -2.972 1.00 0.00 H new ATOM 0 HE ARG A 458 -6.974 -5.885 -3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 458 -3.999 -4.086 -3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 458 -4.749 -3.167 -5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 458 -7.907 -4.678 -4.858 1.00 0.00 H new ATOM 0 HH22 ARG A 458 -6.937 -3.499 -5.746 1.00 0.00 H new ATOM 521 N SER A 459 -3.995 -5.783 2.511 1.00 0.00 N ATOM 522 CA SER A 459 -4.693 -5.141 3.612 1.00 0.00 C ATOM 523 C SER A 459 -4.077 -3.786 3.938 1.00 0.00 C ATOM 524 O SER A 459 -4.786 -2.784 4.029 1.00 0.00 O ATOM 525 CB SER A 459 -4.637 -6.060 4.831 1.00 0.00 C ATOM 526 OG SER A 459 -5.457 -5.543 5.861 1.00 0.00 O ATOM 0 H SER A 459 -3.406 -6.568 2.789 1.00 0.00 H new ATOM 0 HA SER A 459 -5.730 -4.967 3.326 1.00 0.00 H new ATOM 0 HB2 SER A 459 -4.969 -7.062 4.558 1.00 0.00 H new ATOM 0 HB3 SER A 459 -3.609 -6.150 5.183 1.00 0.00 H new ATOM 0 HG SER A 459 -4.934 -4.929 6.418 1.00 0.00 H new ATOM 532 N CYS A 460 -2.753 -3.740 4.113 1.00 0.00 N ATOM 533 CA CYS A 460 -2.078 -2.500 4.444 1.00 0.00 C ATOM 534 C CYS A 460 -1.809 -1.665 3.193 1.00 0.00 C ATOM 535 O CYS A 460 -1.502 -0.474 3.302 1.00 0.00 O ATOM 536 CB CYS A 460 -0.820 -2.793 5.260 1.00 0.00 C ATOM 537 SG CYS A 460 0.235 -3.970 4.386 1.00 0.00 S ATOM 0 H CYS A 460 -2.137 -4.549 4.029 1.00 0.00 H new ATOM 0 HA CYS A 460 -2.729 -1.890 5.070 1.00 0.00 H new ATOM 0 HB2 CYS A 460 -0.272 -1.868 5.441 1.00 0.00 H new ATOM 0 HB3 CYS A 460 -1.096 -3.196 6.234 1.00 0.00 H new ATOM 542 N TRP A 461 -1.920 -2.263 2.003 1.00 0.00 N ATOM 543 CA TRP A 461 -1.868 -1.498 0.770 1.00 0.00 C ATOM 544 C TRP A 461 -3.037 -0.520 0.759 1.00 0.00 C ATOM 545 O TRP A 461 -2.876 0.619 0.334 1.00 0.00 O ATOM 546 CB TRP A 461 -1.948 -2.425 -0.445 1.00 0.00 C ATOM 547 CG TRP A 461 -1.993 -1.700 -1.751 1.00 0.00 C ATOM 548 CD1 TRP A 461 -3.107 -1.220 -2.350 1.00 0.00 C ATOM 549 CD2 TRP A 461 -0.888 -1.346 -2.637 1.00 0.00 C ATOM 550 NE1 TRP A 461 -2.766 -0.573 -3.519 1.00 0.00 N ATOM 551 CE2 TRP A 461 -1.402 -0.595 -3.734 1.00 0.00 C ATOM 552 CE3 TRP A 461 0.503 -1.567 -2.610 1.00 0.00 C ATOM 553 CZ2 TRP A 461 -0.580 -0.056 -4.728 1.00 0.00 C ATOM 554 CZ3 TRP A 461 1.334 -1.050 -3.617 1.00 0.00 C ATOM 555 CH2 TRP A 461 0.798 -0.285 -4.665 1.00 0.00 C ATOM 0 H TRP A 461 -2.045 -3.267 1.875 1.00 0.00 H new ATOM 0 HA TRP A 461 -0.924 -0.956 0.717 1.00 0.00 H new ATOM 0 HB2 TRP A 461 -1.086 -3.092 -0.439 1.00 0.00 H new ATOM 0 HB3 TRP A 461 -2.836 -3.051 -0.356 1.00 0.00 H new ATOM 0 HD1 TRP A 461 -4.112 -1.327 -1.970 1.00 0.00 H new ATOM 0 HE1 TRP A 461 -3.438 -0.133 -4.147 1.00 0.00 H new ATOM 0 HE3 TRP A 461 0.936 -2.141 -1.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 -1.003 0.528 -5.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 2.396 -1.243 -3.585 1.00 0.00 H new ATOM 0 HH2 TRP A 461 1.449 0.126 -5.422 1.00 0.00 H new ATOM 566 N HIS A 462 -4.213 -0.948 1.227 1.00 0.00 N ATOM 567 CA HIS A 462 -5.360 -0.054 1.303 1.00 0.00 C ATOM 568 C HIS A 462 -5.202 0.932 2.459 1.00 0.00 C ATOM 569 O HIS A 462 -5.746 2.034 2.392 1.00 0.00 O ATOM 570 CB HIS A 462 -6.642 -0.874 1.461 1.00 0.00 C ATOM 571 CG HIS A 462 -6.977 -1.691 0.241 1.00 0.00 C ATOM 572 ND1 HIS A 462 -6.805 -1.275 -1.083 1.00 0.00 N ATOM 573 CD2 HIS A 462 -7.503 -2.950 0.251 1.00 0.00 C ATOM 574 CE1 HIS A 462 -7.238 -2.300 -1.836 1.00 0.00 C ATOM 575 NE2 HIS A 462 -7.660 -3.317 -1.066 1.00 0.00 N ATOM 0 H HIS A 462 -4.390 -1.898 1.554 1.00 0.00 H new ATOM 0 HA HIS A 462 -5.421 0.522 0.380 1.00 0.00 H new ATOM 0 HB2 HIS A 462 -6.537 -1.539 2.318 1.00 0.00 H new ATOM 0 HB3 HIS A 462 -7.471 -0.201 1.679 1.00 0.00 H new ATOM 0 HD2 HIS A 462 -7.748 -3.542 1.121 1.00 0.00 H new ATOM 0 HE1 HIS A 462 -7.246 -2.306 -2.916 1.00 0.00 H new ATOM 0 HE2 HIS A 462 -8.032 -4.206 -1.400 1.00 0.00 H new ATOM 583 N TRP A 463 -4.472 0.571 3.519 1.00 0.00 N ATOM 584 CA TRP A 463 -4.234 1.511 4.608 1.00 0.00 C ATOM 585 C TRP A 463 -3.334 2.668 4.170 1.00 0.00 C ATOM 586 O TRP A 463 -3.278 3.687 4.854 1.00 0.00 O ATOM 587 CB TRP A 463 -3.613 0.792 5.808 1.00 0.00 C ATOM 588 CG TRP A 463 -4.420 -0.306 6.430 1.00 0.00 C ATOM 589 CD1 TRP A 463 -5.750 -0.505 6.290 1.00 0.00 C ATOM 590 CD2 TRP A 463 -3.954 -1.376 7.307 1.00 0.00 C ATOM 591 NE1 TRP A 463 -6.132 -1.615 7.009 1.00 0.00 N ATOM 592 CE2 TRP A 463 -5.062 -2.195 7.658 1.00 0.00 C ATOM 593 CE3 TRP A 463 -2.706 -1.734 7.842 1.00 0.00 C ATOM 594 CZ2 TRP A 463 -4.937 -3.310 8.496 1.00 0.00 C ATOM 595 CZ3 TRP A 463 -2.562 -2.856 8.672 1.00 0.00 C ATOM 596 CH2 TRP A 463 -3.677 -3.644 9.004 1.00 0.00 C ATOM 0 H TRP A 463 -4.045 -0.347 3.642 1.00 0.00 H new ATOM 0 HA TRP A 463 -5.199 1.927 4.897 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -2.656 0.375 5.496 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -3.401 1.535 6.577 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -6.413 0.113 5.703 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -7.089 -1.965 7.056 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -1.839 -1.133 7.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -5.803 -3.905 8.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -1.588 -3.116 9.058 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -3.562 -4.503 9.648 1.00 0.00 H new ATOM 607 N ARG A 464 -2.637 2.517 3.035 1.00 0.00 N ATOM 608 CA ARG A 464 -1.770 3.561 2.490 1.00 0.00 C ATOM 609 C ARG A 464 -2.310 4.120 1.173 1.00 0.00 C ATOM 610 O ARG A 464 -1.927 5.223 0.788 1.00 0.00 O ATOM 611 CB ARG A 464 -0.357 2.977 2.323 1.00 0.00 C ATOM 612 CG ARG A 464 0.621 3.919 1.608 1.00 0.00 C ATOM 613 CD ARG A 464 0.839 5.238 2.349 1.00 0.00 C ATOM 614 NE ARG A 464 1.686 5.060 3.534 1.00 0.00 N ATOM 615 CZ ARG A 464 3.020 5.117 3.511 1.00 0.00 C ATOM 616 NH1 ARG A 464 3.679 5.289 2.366 1.00 0.00 N ATOM 617 NH2 ARG A 464 3.708 4.999 4.643 1.00 0.00 N ATOM 0 H ARG A 464 -2.661 1.667 2.472 1.00 0.00 H new ATOM 0 HA ARG A 464 -1.738 4.403 3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 464 0.043 2.731 3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -0.423 2.044 1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 464 1.580 3.414 1.489 1.00 0.00 H new ATOM 0 HG3 ARG A 464 0.245 4.130 0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 464 1.301 5.961 1.677 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -0.124 5.651 2.649 1.00 0.00 H new ATOM 0 HE ARG A 464 1.229 4.882 4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 464 3.164 5.379 1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 464 4.698 5.330 2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 464 3.217 4.865 5.527 1.00 0.00 H new ATOM 0 HH22 ARG A 464 4.727 5.042 4.627 1.00 0.00 H new ATOM 631 N HIS A 465 -3.187 3.392 0.479 1.00 0.00 N ATOM 632 CA HIS A 465 -3.613 3.781 -0.860 1.00 0.00 C ATOM 633 C HIS A 465 -5.132 3.870 -1.029 1.00 0.00 C ATOM 634 O HIS A 465 -5.604 4.091 -2.144 1.00 0.00 O ATOM 635 CB HIS A 465 -2.993 2.825 -1.878 1.00 0.00 C ATOM 636 CG HIS A 465 -1.493 2.710 -1.759 1.00 0.00 C ATOM 637 ND1 HIS A 465 -0.796 1.558 -1.485 1.00 0.00 N ATOM 638 CD2 HIS A 465 -0.569 3.713 -1.898 1.00 0.00 C ATOM 639 CE1 HIS A 465 0.512 1.853 -1.470 1.00 0.00 C ATOM 640 NE2 HIS A 465 0.712 3.163 -1.717 1.00 0.00 N ATOM 0 H HIS A 465 -3.613 2.532 0.824 1.00 0.00 H new ATOM 0 HA HIS A 465 -3.255 4.796 -1.032 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -3.436 1.837 -1.754 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -3.245 3.163 -2.883 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -1.203 0.637 -1.321 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -0.788 4.749 -2.110 1.00 0.00 H new ATOM 0 HE1 HIS A 465 1.299 1.137 -1.285 1.00 0.00 H new ATOM 648 N SER A 466 -5.916 3.708 0.044 1.00 0.00 N ATOM 649 CA SER A 466 -7.358 3.908 -0.039 1.00 0.00 C ATOM 650 C SER A 466 -7.671 5.406 -0.119 1.00 0.00 C ATOM 651 O SER A 466 -8.775 5.798 -0.496 1.00 0.00 O ATOM 652 CB SER A 466 -8.045 3.265 1.168 1.00 0.00 C ATOM 653 OG SER A 466 -9.445 3.407 1.066 1.00 0.00 O ATOM 0 H SER A 466 -5.576 3.442 0.968 1.00 0.00 H new ATOM 0 HA SER A 466 -7.740 3.430 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 466 -7.783 2.209 1.225 1.00 0.00 H new ATOM 0 HB3 SER A 466 -7.691 3.731 2.088 1.00 0.00 H new ATOM 0 HG SER A 466 -9.873 2.991 1.843 1.00 0.00 H new ATOM 659 N MET A 467 -6.693 6.245 0.232 1.00 0.00 N ATOM 660 CA MET A 467 -6.812 7.687 0.119 1.00 0.00 C ATOM 661 C MET A 467 -6.635 8.113 -1.340 1.00 0.00 C ATOM 662 O MET A 467 -5.960 7.437 -2.113 1.00 0.00 O ATOM 663 CB MET A 467 -5.786 8.364 1.032 1.00 0.00 C ATOM 664 CG MET A 467 -4.354 8.024 0.610 1.00 0.00 C ATOM 665 SD MET A 467 -3.068 8.787 1.637 1.00 0.00 S ATOM 666 CE MET A 467 -3.347 7.905 3.192 1.00 0.00 C ATOM 0 H MET A 467 -5.795 5.934 0.603 1.00 0.00 H new ATOM 0 HA MET A 467 -7.806 8.000 0.439 1.00 0.00 H new ATOM 0 HB2 MET A 467 -5.929 9.444 1.004 1.00 0.00 H new ATOM 0 HB3 MET A 467 -5.948 8.047 2.062 1.00 0.00 H new ATOM 0 HG2 MET A 467 -4.228 6.942 0.636 1.00 0.00 H new ATOM 0 HG3 MET A 467 -4.209 8.337 -0.424 1.00 0.00 H new ATOM 0 HE1 MET A 467 -2.506 8.077 3.864 1.00 0.00 H new ATOM 0 HE2 MET A 467 -4.263 8.269 3.657 1.00 0.00 H new ATOM 0 HE3 MET A 467 -3.440 6.837 2.993 1.00 0.00 H new ATOM 676 N GLU A 468 -7.242 9.239 -1.718 1.00 0.00 N ATOM 677 CA GLU A 468 -7.175 9.717 -3.093 1.00 0.00 C ATOM 678 C GLU A 468 -5.854 10.431 -3.376 1.00 0.00 C ATOM 679 O GLU A 468 -5.554 10.730 -4.529 1.00 0.00 O ATOM 680 CB GLU A 468 -8.361 10.642 -3.375 1.00 0.00 C ATOM 681 CG GLU A 468 -9.681 9.884 -3.250 1.00 0.00 C ATOM 682 CD GLU A 468 -10.859 10.788 -3.599 1.00 0.00 C ATOM 683 OE1 GLU A 468 -11.318 11.516 -2.687 1.00 0.00 O ATOM 684 OE2 GLU A 468 -11.296 10.750 -4.772 1.00 0.00 O ATOM 0 H GLU A 468 -7.784 9.833 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 468 -7.225 8.855 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -8.349 11.479 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -8.271 11.062 -4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -9.673 9.018 -3.912 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -9.794 9.507 -2.234 1.00 0.00 H new ATOM 691 N GLY A 469 -5.060 10.711 -2.335 1.00 0.00 N ATOM 692 CA GLY A 469 -3.806 11.432 -2.483 1.00 0.00 C ATOM 693 C GLY A 469 -2.689 10.564 -3.067 1.00 0.00 C ATOM 694 O GLY A 469 -1.722 11.104 -3.600 1.00 0.00 O ATOM 0 H GLY A 469 -5.274 10.442 -1.375 1.00 0.00 H new ATOM 0 HA2 GLY A 469 -3.963 12.297 -3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 469 -3.494 11.812 -1.510 1.00 0.00 H new ATOM 698 N LEU A 470 -2.818 9.234 -2.974 1.00 0.00 N ATOM 699 CA LEU A 470 -1.814 8.294 -3.465 1.00 0.00 C ATOM 700 C LEU A 470 -2.433 7.295 -4.440 1.00 0.00 C ATOM 701 O LEU A 470 -1.908 6.198 -4.624 1.00 0.00 O ATOM 702 CB LEU A 470 -1.120 7.576 -2.302 1.00 0.00 C ATOM 703 CG LEU A 470 -0.423 8.524 -1.325 1.00 0.00 C ATOM 704 CD1 LEU A 470 0.273 7.708 -0.240 1.00 0.00 C ATOM 705 CD2 LEU A 470 0.633 9.409 -1.988 1.00 0.00 C ATOM 0 H LEU A 470 -3.629 8.782 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 470 -1.056 8.861 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 470 -1.858 6.986 -1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 470 -0.386 6.877 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 470 -1.200 9.172 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 470 0.771 8.381 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 470 -0.465 7.110 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 470 1.011 7.049 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 470 1.088 10.056 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 470 1.401 8.782 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 470 0.164 10.020 -2.759 1.00 0.00 H new ATOM 717 N ARG A 471 -3.551 7.668 -5.070 1.00 0.00 N ATOM 718 CA ARG A 471 -4.276 6.800 -5.991 1.00 0.00 C ATOM 719 C ARG A 471 -3.487 6.537 -7.276 1.00 0.00 C ATOM 720 O ARG A 471 -3.947 5.792 -8.140 1.00 0.00 O ATOM 721 CB ARG A 471 -5.643 7.418 -6.291 1.00 0.00 C ATOM 722 CG ARG A 471 -5.508 8.670 -7.165 1.00 0.00 C ATOM 723 CD ARG A 471 -6.882 9.309 -7.367 1.00 0.00 C ATOM 724 NE ARG A 471 -6.835 10.370 -8.380 1.00 0.00 N ATOM 725 CZ ARG A 471 -6.421 11.621 -8.159 1.00 0.00 C ATOM 726 NH1 ARG A 471 -5.999 12.012 -6.960 1.00 0.00 N ATOM 727 NH2 ARG A 471 -6.430 12.504 -9.153 1.00 0.00 N ATOM 0 H ARG A 471 -3.978 8.587 -4.952 1.00 0.00 H new ATOM 0 HA ARG A 471 -4.416 5.829 -5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -6.273 6.686 -6.796 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -6.141 7.676 -5.356 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -4.831 9.383 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -5.074 8.407 -8.129 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -7.599 8.546 -7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -7.236 9.721 -6.422 1.00 0.00 H new ATOM 0 HE ARG A 471 -7.142 10.135 -9.324 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -5.986 11.351 -6.183 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -5.688 12.973 -6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -6.752 12.225 -10.080 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -6.115 13.460 -8.989 1.00 0.00 H new ATOM 741 N HIS A 472 -2.305 7.146 -7.407 1.00 0.00 N ATOM 742 CA HIS A 472 -1.467 7.045 -8.592 1.00 0.00 C ATOM 743 C HIS A 472 -0.394 5.961 -8.453 1.00 0.00 C ATOM 744 O HIS A 472 0.377 5.748 -9.390 1.00 0.00 O ATOM 745 CB HIS A 472 -0.837 8.412 -8.858 1.00 0.00 C ATOM 746 CG HIS A 472 0.062 8.875 -7.743 1.00 0.00 C ATOM 747 ND1 HIS A 472 -0.366 9.360 -6.505 1.00 0.00 N ATOM 748 CD2 HIS A 472 1.426 8.882 -7.782 1.00 0.00 C ATOM 749 CE1 HIS A 472 0.757 9.651 -5.828 1.00 0.00 C ATOM 750 NE2 HIS A 472 1.846 9.382 -6.570 1.00 0.00 N ATOM 0 H HIS A 472 -1.902 7.732 -6.676 1.00 0.00 H new ATOM 0 HA HIS A 472 -2.088 6.749 -9.438 1.00 0.00 H new ATOM 0 HB2 HIS A 472 -0.264 8.367 -9.784 1.00 0.00 H new ATOM 0 HB3 HIS A 472 -1.628 9.147 -9.008 1.00 0.00 H new ATOM 0 HD2 HIS A 472 2.052 8.559 -8.601 1.00 0.00 H new ATOM 0 HE1 HIS A 472 0.782 10.047 -4.824 1.00 0.00 H new ATOM 0 HE2 HIS A 472 2.815 9.524 -6.284 1.00 0.00 H new ATOM 758 N HIS A 473 -0.329 5.277 -7.306 1.00 0.00 N ATOM 759 CA HIS A 473 0.645 4.218 -7.092 1.00 0.00 C ATOM 760 C HIS A 473 0.207 2.940 -7.805 1.00 0.00 C ATOM 761 O HIS A 473 -0.974 2.754 -8.088 1.00 0.00 O ATOM 762 CB HIS A 473 0.835 3.970 -5.593 1.00 0.00 C ATOM 763 CG HIS A 473 1.394 5.151 -4.837 1.00 0.00 C ATOM 764 ND1 HIS A 473 1.717 5.160 -3.473 1.00 0.00 N ATOM 765 CD2 HIS A 473 1.666 6.380 -5.366 1.00 0.00 C ATOM 766 CE1 HIS A 473 2.145 6.407 -3.217 1.00 0.00 C ATOM 767 NE2 HIS A 473 2.136 7.151 -4.333 1.00 0.00 N ATOM 0 H HIS A 473 -0.946 5.444 -6.511 1.00 0.00 H new ATOM 0 HA HIS A 473 1.602 4.529 -7.512 1.00 0.00 H new ATOM 0 HB2 HIS A 473 -0.125 3.695 -5.157 1.00 0.00 H new ATOM 0 HB3 HIS A 473 1.502 3.118 -5.459 1.00 0.00 H new ATOM 0 HD2 HIS A 473 1.537 6.685 -6.394 1.00 0.00 H new ATOM 0 HE1 HIS A 473 2.454 6.762 -2.245 1.00 0.00 H new ATOM 0 HE2 HIS A 473 2.429 8.126 -4.402 1.00 0.00 H new ATOM 775 N SER A 474 1.171 2.060 -8.089 1.00 0.00 N ATOM 776 CA SER A 474 0.916 0.789 -8.754 1.00 0.00 C ATOM 777 C SER A 474 1.727 -0.307 -8.074 1.00 0.00 C ATOM 778 O SER A 474 2.821 -0.039 -7.571 1.00 0.00 O ATOM 779 CB SER A 474 1.281 0.881 -10.237 1.00 0.00 C ATOM 780 OG SER A 474 0.517 1.890 -10.871 1.00 0.00 O ATOM 0 H SER A 474 2.153 2.214 -7.861 1.00 0.00 H new ATOM 0 HA SER A 474 -0.145 0.550 -8.679 1.00 0.00 H new ATOM 0 HB2 SER A 474 2.344 1.099 -10.344 1.00 0.00 H new ATOM 0 HB3 SER A 474 1.102 -0.078 -10.722 1.00 0.00 H new ATOM 0 HG SER A 474 0.762 1.939 -11.819 1.00 0.00 H new ATOM 786 N PRO A 475 1.211 -1.543 -8.048 1.00 0.00 N ATOM 787 CA PRO A 475 1.840 -2.660 -7.369 1.00 0.00 C ATOM 788 C PRO A 475 3.128 -3.084 -8.066 1.00 0.00 C ATOM 789 O PRO A 475 3.281 -2.930 -9.279 1.00 0.00 O ATOM 790 CB PRO A 475 0.798 -3.778 -7.381 1.00 0.00 C ATOM 791 CG PRO A 475 -0.018 -3.476 -8.634 1.00 0.00 C ATOM 792 CD PRO A 475 -0.034 -1.949 -8.669 1.00 0.00 C ATOM 0 HA PRO A 475 2.135 -2.399 -6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 475 1.263 -4.762 -7.430 1.00 0.00 H new ATOM 0 HB3 PRO A 475 0.180 -3.762 -6.484 1.00 0.00 H new ATOM 0 HG2 PRO A 475 0.443 -3.896 -9.528 1.00 0.00 H new ATOM 0 HG3 PRO A 475 -1.025 -3.890 -8.570 1.00 0.00 H new ATOM 0 HD2 PRO A 475 -0.103 -1.579 -9.692 1.00 0.00 H new ATOM 0 HD3 PRO A 475 -0.892 -1.551 -8.128 1.00 0.00 H new ATOM 800 N LEU A 476 4.058 -3.624 -7.274 1.00 0.00 N ATOM 801 CA LEU A 476 5.348 -4.109 -7.734 1.00 0.00 C ATOM 802 C LEU A 476 5.655 -5.433 -7.039 1.00 0.00 C ATOM 803 O LEU A 476 5.076 -5.733 -5.996 1.00 0.00 O ATOM 804 CB LEU A 476 6.428 -3.071 -7.410 1.00 0.00 C ATOM 805 CG LEU A 476 6.282 -1.791 -8.237 1.00 0.00 C ATOM 806 CD1 LEU A 476 7.221 -0.723 -7.683 1.00 0.00 C ATOM 807 CD2 LEU A 476 6.664 -2.043 -9.693 1.00 0.00 C ATOM 0 H LEU A 476 3.924 -3.736 -6.269 1.00 0.00 H new ATOM 0 HA LEU A 476 5.328 -4.267 -8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 476 6.380 -2.822 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 476 7.411 -3.506 -7.591 1.00 0.00 H new ATOM 0 HG LEU A 476 5.243 -1.465 -8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 476 7.120 0.190 -8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 476 6.965 -0.517 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 476 8.250 -1.078 -7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 476 6.553 -1.121 -10.263 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.700 -2.379 -9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 476 6.012 -2.809 -10.113 1.00 0.00 H new ATOM 819 N MET A 477 6.567 -6.221 -7.611 1.00 0.00 N ATOM 820 CA MET A 477 6.924 -7.530 -7.084 1.00 0.00 C ATOM 821 C MET A 477 8.421 -7.771 -7.213 1.00 0.00 C ATOM 822 O MET A 477 9.114 -7.082 -7.961 1.00 0.00 O ATOM 823 CB MET A 477 6.146 -8.622 -7.823 1.00 0.00 C ATOM 824 CG MET A 477 4.637 -8.470 -7.613 1.00 0.00 C ATOM 825 SD MET A 477 3.636 -9.757 -8.399 1.00 0.00 S ATOM 826 CE MET A 477 4.138 -11.187 -7.412 1.00 0.00 C ATOM 0 H MET A 477 7.078 -5.964 -8.456 1.00 0.00 H new ATOM 0 HA MET A 477 6.662 -7.561 -6.026 1.00 0.00 H new ATOM 0 HB2 MET A 477 6.373 -8.576 -8.888 1.00 0.00 H new ATOM 0 HB3 MET A 477 6.467 -9.602 -7.471 1.00 0.00 H new ATOM 0 HG2 MET A 477 4.430 -8.470 -6.543 1.00 0.00 H new ATOM 0 HG3 MET A 477 4.325 -7.499 -7.998 1.00 0.00 H new ATOM 0 HE1 MET A 477 3.436 -12.005 -7.574 1.00 0.00 H new ATOM 0 HE2 MET A 477 5.138 -11.502 -7.710 1.00 0.00 H new ATOM 0 HE3 MET A 477 4.143 -10.917 -6.356 1.00 0.00 H new ATOM 836 N ARG A 478 8.913 -8.769 -6.471 1.00 0.00 N ATOM 837 CA ARG A 478 10.324 -9.128 -6.443 1.00 0.00 C ATOM 838 C ARG A 478 10.698 -10.033 -7.618 1.00 0.00 C ATOM 839 O ARG A 478 11.859 -10.409 -7.756 1.00 0.00 O ATOM 840 CB ARG A 478 10.628 -9.803 -5.104 1.00 0.00 C ATOM 841 CG ARG A 478 10.477 -8.802 -3.955 1.00 0.00 C ATOM 842 CD ARG A 478 10.845 -9.461 -2.627 1.00 0.00 C ATOM 843 NE ARG A 478 9.922 -10.553 -2.285 1.00 0.00 N ATOM 844 CZ ARG A 478 8.776 -10.389 -1.620 1.00 0.00 C ATOM 845 NH1 ARG A 478 8.384 -9.185 -1.221 1.00 0.00 N ATOM 846 NH2 ARG A 478 8.011 -11.440 -1.349 1.00 0.00 N ATOM 0 H ARG A 478 8.332 -9.353 -5.869 1.00 0.00 H new ATOM 0 HA ARG A 478 10.927 -8.226 -6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 478 9.953 -10.645 -4.952 1.00 0.00 H new ATOM 0 HB3 ARG A 478 11.641 -10.205 -5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 478 11.118 -7.938 -4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 478 9.451 -8.436 -3.915 1.00 0.00 H new ATOM 0 HD2 ARG A 478 11.862 -9.849 -2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 478 10.833 -8.713 -1.834 1.00 0.00 H new ATOM 0 HE ARG A 478 10.174 -11.498 -2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 478 8.961 -8.368 -1.422 1.00 0.00 H new ATOM 0 HH12 ARG A 478 7.506 -9.077 -0.714 1.00 0.00 H new ATOM 0 HH21 ARG A 478 8.299 -12.371 -1.649 1.00 0.00 H new ATOM 0 HH22 ARG A 478 7.135 -11.316 -0.841 1.00 0.00 H new ATOM 860 N ASN A 479 9.723 -10.376 -8.463 1.00 0.00 N ATOM 861 CA ASN A 479 9.940 -11.205 -9.635 1.00 0.00 C ATOM 862 C ASN A 479 8.964 -10.811 -10.743 1.00 0.00 C ATOM 863 O ASN A 479 7.863 -10.334 -10.462 1.00 0.00 O ATOM 864 CB ASN A 479 9.768 -12.676 -9.245 1.00 0.00 C ATOM 865 CG ASN A 479 10.005 -13.603 -10.427 1.00 0.00 C ATOM 866 OD1 ASN A 479 9.062 -14.153 -10.990 1.00 0.00 O ATOM 867 ND2 ASN A 479 11.263 -13.779 -10.815 1.00 0.00 N ATOM 0 H ASN A 479 8.754 -10.080 -8.345 1.00 0.00 H new ATOM 0 HA ASN A 479 10.951 -11.057 -10.013 1.00 0.00 H new ATOM 0 HB2 ASN A 479 10.464 -12.924 -8.443 1.00 0.00 H new ATOM 0 HB3 ASN A 479 8.763 -12.834 -8.855 1.00 0.00 H new ATOM 0 HD21 ASN A 479 11.472 -14.388 -11.606 1.00 0.00 H new ATOM 0 HD22 ASN A 479 12.020 -13.305 -10.322 1.00 0.00 H new ATOM 874 N GLN A 480 9.365 -11.012 -12.001 1.00 0.00 N ATOM 875 CA GLN A 480 8.540 -10.693 -13.160 1.00 0.00 C ATOM 876 C GLN A 480 8.900 -11.587 -14.345 1.00 0.00 C ATOM 877 O GLN A 480 9.929 -12.263 -14.332 1.00 0.00 O ATOM 878 CB GLN A 480 8.724 -9.218 -13.531 1.00 0.00 C ATOM 879 CG GLN A 480 10.177 -8.899 -13.905 1.00 0.00 C ATOM 880 CD GLN A 480 10.322 -7.451 -14.352 1.00 0.00 C ATOM 881 OE1 GLN A 480 10.737 -6.593 -13.578 1.00 0.00 O ATOM 882 NE2 GLN A 480 9.986 -7.165 -15.606 1.00 0.00 N ATOM 0 H GLN A 480 10.276 -11.403 -12.241 1.00 0.00 H new ATOM 0 HA GLN A 480 7.495 -10.873 -12.907 1.00 0.00 H new ATOM 0 HB2 GLN A 480 8.071 -8.970 -14.368 1.00 0.00 H new ATOM 0 HB3 GLN A 480 8.419 -8.592 -12.692 1.00 0.00 H new ATOM 0 HG2 GLN A 480 10.826 -9.085 -13.049 1.00 0.00 H new ATOM 0 HG3 GLN A 480 10.505 -9.564 -14.704 1.00 0.00 H new ATOM 0 HE21 GLN A 480 9.645 -7.902 -16.223 1.00 0.00 H new ATOM 0 HE22 GLN A 480 10.070 -6.209 -15.951 1.00 0.00 H new ATOM 891 N LYS A 481 8.041 -11.589 -15.371 1.00 0.00 N ATOM 892 CA LYS A 481 8.268 -12.360 -16.587 1.00 0.00 C ATOM 893 C LYS A 481 9.339 -11.681 -17.439 1.00 0.00 C ATOM 894 O LYS A 481 9.497 -10.462 -17.387 1.00 0.00 O ATOM 895 CB LYS A 481 6.942 -12.510 -17.342 1.00 0.00 C ATOM 896 CG LYS A 481 7.091 -13.400 -18.581 1.00 0.00 C ATOM 897 CD LYS A 481 5.753 -13.581 -19.304 1.00 0.00 C ATOM 898 CE LYS A 481 4.737 -14.289 -18.411 1.00 0.00 C ATOM 899 NZ LYS A 481 3.465 -14.512 -19.123 1.00 0.00 N ATOM 0 H LYS A 481 7.172 -11.055 -15.376 1.00 0.00 H new ATOM 0 HA LYS A 481 8.632 -13.358 -16.341 1.00 0.00 H new ATOM 0 HB2 LYS A 481 6.191 -12.936 -16.677 1.00 0.00 H new ATOM 0 HB3 LYS A 481 6.581 -11.526 -17.642 1.00 0.00 H new ATOM 0 HG2 LYS A 481 7.818 -12.958 -19.263 1.00 0.00 H new ATOM 0 HG3 LYS A 481 7.482 -14.374 -18.286 1.00 0.00 H new ATOM 0 HD2 LYS A 481 5.363 -12.608 -19.603 1.00 0.00 H new ATOM 0 HD3 LYS A 481 5.904 -14.158 -20.216 1.00 0.00 H new ATOM 0 HE2 LYS A 481 5.144 -15.244 -18.080 1.00 0.00 H new ATOM 0 HE3 LYS A 481 4.557 -13.692 -17.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 2.794 -14.995 -18.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 3.067 -13.597 -19.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 3.636 -15.102 -19.963 1.00 0.00 H new ATOM 913 N ASN A 482 10.073 -12.475 -18.223 1.00 0.00 N ATOM 914 CA ASN A 482 11.118 -11.982 -19.105 1.00 0.00 C ATOM 915 C ASN A 482 11.096 -12.774 -20.413 1.00 0.00 C ATOM 916 O ASN A 482 10.639 -13.917 -20.433 1.00 0.00 O ATOM 917 CB ASN A 482 12.465 -12.099 -18.384 1.00 0.00 C ATOM 918 CG ASN A 482 13.600 -11.520 -19.210 1.00 0.00 C ATOM 919 OD1 ASN A 482 14.359 -12.255 -19.835 1.00 0.00 O ATOM 920 ND2 ASN A 482 13.725 -10.198 -19.223 1.00 0.00 N ATOM 0 H ASN A 482 9.952 -13.487 -18.259 1.00 0.00 H new ATOM 0 HA ASN A 482 10.954 -10.934 -19.354 1.00 0.00 H new ATOM 0 HB2 ASN A 482 12.411 -11.580 -17.427 1.00 0.00 H new ATOM 0 HB3 ASN A 482 12.671 -13.147 -18.167 1.00 0.00 H new ATOM 0 HD21 ASN A 482 14.471 -9.762 -19.765 1.00 0.00 H new ATOM 0 HD22 ASN A 482 13.075 -9.619 -18.691 1.00 0.00 H new ATOM 927 N ARG A 483 11.588 -12.174 -21.503 1.00 0.00 N ATOM 928 CA ARG A 483 11.541 -12.774 -22.835 1.00 0.00 C ATOM 929 C ARG A 483 12.921 -12.876 -23.485 1.00 0.00 C ATOM 930 O ARG A 483 13.021 -13.222 -24.662 1.00 0.00 O ATOM 931 CB ARG A 483 10.592 -11.963 -23.728 1.00 0.00 C ATOM 932 CG ARG A 483 9.144 -11.899 -23.223 1.00 0.00 C ATOM 933 CD ARG A 483 8.368 -13.205 -23.423 1.00 0.00 C ATOM 934 NE ARG A 483 8.791 -14.253 -22.488 1.00 0.00 N ATOM 935 CZ ARG A 483 8.330 -15.505 -22.502 1.00 0.00 C ATOM 936 NH1 ARG A 483 7.416 -15.889 -23.387 1.00 0.00 N ATOM 937 NH2 ARG A 483 8.791 -16.380 -21.615 1.00 0.00 N ATOM 0 H ARG A 483 12.031 -11.255 -21.483 1.00 0.00 H new ATOM 0 HA ARG A 483 11.171 -13.793 -22.723 1.00 0.00 H new ATOM 0 HB2 ARG A 483 10.977 -10.947 -23.818 1.00 0.00 H new ATOM 0 HB3 ARG A 483 10.596 -12.396 -24.728 1.00 0.00 H new ATOM 0 HG2 ARG A 483 9.148 -11.647 -22.163 1.00 0.00 H new ATOM 0 HG3 ARG A 483 8.623 -11.093 -23.740 1.00 0.00 H new ATOM 0 HD2 ARG A 483 7.302 -13.015 -23.294 1.00 0.00 H new ATOM 0 HD3 ARG A 483 8.508 -13.555 -24.446 1.00 0.00 H new ATOM 0 HE ARG A 483 9.483 -14.008 -21.780 1.00 0.00 H new ATOM 0 HH11 ARG A 483 7.056 -15.223 -24.070 1.00 0.00 H new ATOM 0 HH12 ARG A 483 7.075 -16.850 -23.383 1.00 0.00 H new ATOM 0 HH21 ARG A 483 9.491 -16.092 -20.931 1.00 0.00 H new ATOM 0 HH22 ARG A 483 8.445 -17.339 -21.618 1.00 0.00 H new ATOM 951 N ASP A 484 13.992 -12.578 -22.743 1.00 0.00 N ATOM 952 CA ASP A 484 15.348 -12.625 -23.278 1.00 0.00 C ATOM 953 C ASP A 484 15.838 -14.071 -23.383 1.00 0.00 C ATOM 954 O ASP A 484 15.380 -14.944 -22.643 1.00 0.00 O ATOM 955 CB ASP A 484 16.274 -11.780 -22.407 1.00 0.00 C ATOM 956 CG ASP A 484 17.672 -11.676 -23.009 1.00 0.00 C ATOM 957 OD1 ASP A 484 17.765 -11.282 -24.193 1.00 0.00 O ATOM 958 OD2 ASP A 484 18.638 -11.994 -22.281 1.00 0.00 O ATOM 0 H ASP A 484 13.940 -12.300 -21.763 1.00 0.00 H new ATOM 0 HA ASP A 484 15.351 -12.209 -24.285 1.00 0.00 H new ATOM 0 HB2 ASP A 484 15.853 -10.782 -22.289 1.00 0.00 H new ATOM 0 HB3 ASP A 484 16.338 -12.218 -21.411 1.00 0.00 H new ATOM 963 N SER A 485 16.771 -14.324 -24.306 1.00 0.00 N ATOM 964 CA SER A 485 17.308 -15.658 -24.553 1.00 0.00 C ATOM 965 C SER A 485 18.801 -15.587 -24.865 1.00 0.00 C ATOM 966 O SER A 485 19.324 -14.519 -25.185 1.00 0.00 O ATOM 967 CB SER A 485 16.569 -16.304 -25.726 1.00 0.00 C ATOM 968 OG SER A 485 15.199 -16.459 -25.423 1.00 0.00 O ATOM 0 H SER A 485 17.174 -13.603 -24.904 1.00 0.00 H new ATOM 0 HA SER A 485 17.166 -16.260 -23.656 1.00 0.00 H new ATOM 0 HB2 SER A 485 16.683 -15.688 -26.618 1.00 0.00 H new ATOM 0 HB3 SER A 485 17.010 -17.275 -25.951 1.00 0.00 H new ATOM 0 HG SER A 485 14.740 -16.872 -26.184 1.00 0.00 H new ATOM 974 N SER A 486 19.477 -16.736 -24.771 1.00 0.00 N ATOM 975 CA SER A 486 20.911 -16.850 -25.020 1.00 0.00 C ATOM 976 C SER A 486 21.210 -18.095 -25.846 1.00 0.00 C ATOM 977 O SER A 486 21.929 -17.951 -26.859 1.00 0.00 O ATOM 978 CB SER A 486 21.666 -16.909 -23.693 1.00 0.00 C ATOM 979 OG SER A 486 21.429 -15.733 -22.949 1.00 0.00 O ATOM 980 OXT SER A 486 20.718 -19.179 -25.459 1.00 0.00 O ATOM 0 H SER A 486 19.036 -17.620 -24.517 1.00 0.00 H new ATOM 0 HA SER A 486 21.240 -15.974 -25.580 1.00 0.00 H new ATOM 0 HB2 SER A 486 21.346 -17.781 -23.122 1.00 0.00 H new ATOM 0 HB3 SER A 486 22.734 -17.023 -23.878 1.00 0.00 H new ATOM 0 HG SER A 486 21.915 -15.780 -22.099 1.00 0.00 H new TER 986 SER A 486 HETATM 987 ZN ZN A 501 0.660 -5.729 5.238 1.00 0.00 ZN HETATM 988 ZN ZN A 502 2.484 3.800 -2.268 1.00 0.00 ZN