USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=14 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= 0.298 K(o=0.3,f=-6.8!) USER MOD Single : A 439 SER OG : rot 180:sc= -0.01 USER MOD Single : A 440 SER OG : rot 67:sc= 0.627 USER MOD Single : A 441 GLN : amide:sc= -1.5 K(o=-1.5,f=-8.7!) USER MOD Single : A 447 CYS SG : rot -151:sc= -1.7! USER MOD Single : A 450 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 462 HIS : no HD1:sc= -0.0275 X(o=-0.028,f=-0.19) USER MOD Single : A 466 SER OG : rot 180:sc= 0.00417 USER MOD Single : A 467 MET CE :methyl 160:sc= -0.0629 (180deg=-0.629) USER MOD Single : A 472 HIS : no HD1:sc= 0.101 K(o=0.1,f=-1.8!) USER MOD Single : A 474 SER OG : rot 180:sc= 0 USER MOD Single : A 477 MET CE :methyl -165:sc= -0.0504 (180deg=-0.367) USER MOD Single : A 479 ASN : amide:sc= 0.181 K(o=0.18,f=-6.5!) USER MOD Single : A 480 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 481 LYS NZ :NH3+ 167:sc= -0.0174 (180deg=-0.199) USER MOD Single : A 482 ASN : amide:sc= 0.404 K(o=0.4,f=-5.8!) 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 9.898 -6.454 11.334 1.00 0.00 N ATOM 2 CA ILE A 426 11.316 -6.173 11.029 1.00 0.00 C ATOM 3 C ILE A 426 11.986 -5.441 12.192 1.00 0.00 C ATOM 4 O ILE A 426 11.312 -4.932 13.081 1.00 0.00 O ATOM 5 CB ILE A 426 11.476 -5.382 9.722 1.00 0.00 C ATOM 6 CG1 ILE A 426 10.758 -4.028 9.799 1.00 0.00 C ATOM 7 CG2 ILE A 426 10.940 -6.212 8.548 1.00 0.00 C ATOM 8 CD1 ILE A 426 10.978 -3.202 8.528 1.00 0.00 C ATOM 0 HA ILE A 426 11.814 -7.132 10.890 1.00 0.00 H new ATOM 0 HB ILE A 426 12.536 -5.182 9.566 1.00 0.00 H new ATOM 0 HG12 ILE A 426 9.690 -4.189 9.949 1.00 0.00 H new ATOM 0 HG13 ILE A 426 11.121 -3.471 10.663 1.00 0.00 H new ATOM 0 HG21 ILE A 426 11.055 -5.649 7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 426 11.499 -7.145 8.477 1.00 0.00 H new ATOM 0 HG23 ILE A 426 9.885 -6.433 8.710 1.00 0.00 H new ATOM 0 HD11 ILE A 426 10.455 -2.250 8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 426 12.044 -3.019 8.393 1.00 0.00 H new ATOM 0 HD13 ILE A 426 10.592 -3.748 7.668 1.00 0.00 H new ATOM 22 N ASP A 427 13.320 -5.393 12.182 1.00 0.00 N ATOM 23 CA ASP A 427 14.102 -4.760 13.235 1.00 0.00 C ATOM 24 C ASP A 427 15.268 -3.979 12.623 1.00 0.00 C ATOM 25 O ASP A 427 15.623 -4.214 11.468 1.00 0.00 O ATOM 26 CB ASP A 427 14.613 -5.834 14.197 1.00 0.00 C ATOM 27 CG ASP A 427 13.468 -6.516 14.941 1.00 0.00 C ATOM 28 OD1 ASP A 427 13.078 -5.987 16.008 1.00 0.00 O ATOM 29 OD2 ASP A 427 12.988 -7.559 14.442 1.00 0.00 O ATOM 0 H ASP A 427 13.887 -5.796 11.436 1.00 0.00 H new ATOM 0 HA ASP A 427 13.477 -4.059 13.788 1.00 0.00 H new ATOM 0 HB2 ASP A 427 15.181 -6.580 13.641 1.00 0.00 H new ATOM 0 HB3 ASP A 427 15.297 -5.383 14.916 1.00 0.00 H new ATOM 34 N PRO A 428 15.872 -3.052 13.377 1.00 0.00 N ATOM 35 CA PRO A 428 17.015 -2.271 12.928 1.00 0.00 C ATOM 36 C PRO A 428 18.170 -3.151 12.456 1.00 0.00 C ATOM 37 O PRO A 428 18.303 -4.295 12.884 1.00 0.00 O ATOM 38 CB PRO A 428 17.431 -1.427 14.134 1.00 0.00 C ATOM 39 CG PRO A 428 16.140 -1.301 14.936 1.00 0.00 C ATOM 40 CD PRO A 428 15.489 -2.664 14.719 1.00 0.00 C ATOM 0 HA PRO A 428 16.749 -1.658 12.067 1.00 0.00 H new ATOM 0 HB2 PRO A 428 18.218 -1.912 14.712 1.00 0.00 H new ATOM 0 HB3 PRO A 428 17.813 -0.452 13.830 1.00 0.00 H new ATOM 0 HG2 PRO A 428 16.334 -1.106 15.991 1.00 0.00 H new ATOM 0 HG3 PRO A 428 15.512 -0.488 14.572 1.00 0.00 H new ATOM 0 HD2 PRO A 428 15.837 -3.389 15.454 1.00 0.00 H new ATOM 0 HD3 PRO A 428 14.405 -2.604 14.819 1.00 0.00 H new ATOM 48 N TYR A 429 19.006 -2.605 11.566 1.00 0.00 N ATOM 49 CA TYR A 429 20.158 -3.299 10.996 1.00 0.00 C ATOM 50 C TYR A 429 19.796 -4.632 10.334 1.00 0.00 C ATOM 51 O TYR A 429 20.662 -5.486 10.144 1.00 0.00 O ATOM 52 CB TYR A 429 21.259 -3.444 12.051 1.00 0.00 C ATOM 53 CG TYR A 429 21.640 -2.142 12.716 1.00 0.00 C ATOM 54 CD1 TYR A 429 22.423 -1.205 12.023 1.00 0.00 C ATOM 55 CD2 TYR A 429 21.207 -1.869 14.023 1.00 0.00 C ATOM 56 CE1 TYR A 429 22.769 0.009 12.631 1.00 0.00 C ATOM 57 CE2 TYR A 429 21.558 -0.657 14.639 1.00 0.00 C ATOM 58 CZ TYR A 429 22.339 0.288 13.944 1.00 0.00 C ATOM 59 OH TYR A 429 22.678 1.465 14.540 1.00 0.00 O ATOM 0 H TYR A 429 18.896 -1.652 11.218 1.00 0.00 H new ATOM 0 HA TYR A 429 20.543 -2.683 10.183 1.00 0.00 H new ATOM 0 HB2 TYR A 429 20.928 -4.148 12.814 1.00 0.00 H new ATOM 0 HB3 TYR A 429 22.144 -3.875 11.583 1.00 0.00 H new ATOM 0 HD1 TYR A 429 22.759 -1.420 11.020 1.00 0.00 H new ATOM 0 HD2 TYR A 429 20.604 -2.591 14.554 1.00 0.00 H new ATOM 0 HE1 TYR A 429 23.365 0.731 12.093 1.00 0.00 H new ATOM 0 HE2 TYR A 429 21.229 -0.449 15.646 1.00 0.00 H new ATOM 0 HH TYR A 429 22.299 1.495 15.443 1.00 0.00 H new ATOM 69 N LEU A 430 18.523 -4.821 9.980 1.00 0.00 N ATOM 70 CA LEU A 430 18.040 -6.043 9.356 1.00 0.00 C ATOM 71 C LEU A 430 16.924 -5.702 8.371 1.00 0.00 C ATOM 72 O LEU A 430 16.293 -4.653 8.474 1.00 0.00 O ATOM 73 CB LEU A 430 17.563 -6.993 10.462 1.00 0.00 C ATOM 74 CG LEU A 430 17.100 -8.361 9.947 1.00 0.00 C ATOM 75 CD1 LEU A 430 18.223 -9.094 9.214 1.00 0.00 C ATOM 76 CD2 LEU A 430 16.665 -9.225 11.134 1.00 0.00 C ATOM 0 H LEU A 430 17.796 -4.120 10.122 1.00 0.00 H new ATOM 0 HA LEU A 430 18.831 -6.538 8.793 1.00 0.00 H new ATOM 0 HB2 LEU A 430 18.373 -7.140 11.176 1.00 0.00 H new ATOM 0 HB3 LEU A 430 16.742 -6.522 11.003 1.00 0.00 H new ATOM 0 HG LEU A 430 16.275 -8.195 9.255 1.00 0.00 H new ATOM 0 HD11 LEU A 430 17.859 -10.060 8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 430 18.551 -8.498 8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 430 19.061 -9.248 9.893 1.00 0.00 H new ATOM 0 HD21 LEU A 430 16.335 -10.199 10.773 1.00 0.00 H new ATOM 0 HD22 LEU A 430 17.505 -9.356 11.816 1.00 0.00 H new ATOM 0 HD23 LEU A 430 15.845 -8.735 11.659 1.00 0.00 H new ATOM 88 N GLU A 431 16.678 -6.594 7.408 1.00 0.00 N ATOM 89 CA GLU A 431 15.626 -6.421 6.412 1.00 0.00 C ATOM 90 C GLU A 431 14.997 -7.763 6.053 1.00 0.00 C ATOM 91 O GLU A 431 15.611 -8.812 6.242 1.00 0.00 O ATOM 92 CB GLU A 431 16.189 -5.704 5.178 1.00 0.00 C ATOM 93 CG GLU A 431 17.362 -6.441 4.513 1.00 0.00 C ATOM 94 CD GLU A 431 16.934 -7.711 3.773 1.00 0.00 C ATOM 95 OE1 GLU A 431 15.914 -7.647 3.052 1.00 0.00 O ATOM 96 OE2 GLU A 431 17.637 -8.739 3.931 1.00 0.00 O ATOM 0 H GLU A 431 17.207 -7.459 7.300 1.00 0.00 H new ATOM 0 HA GLU A 431 14.835 -5.799 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 431 15.390 -5.578 4.447 1.00 0.00 H new ATOM 0 HB3 GLU A 431 16.517 -4.706 5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 431 17.855 -5.768 3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 431 18.097 -6.702 5.274 1.00 0.00 H new ATOM 103 N ASP A 432 13.770 -7.731 5.529 1.00 0.00 N ATOM 104 CA ASP A 432 13.079 -8.930 5.078 1.00 0.00 C ATOM 105 C ASP A 432 11.993 -8.565 4.068 1.00 0.00 C ATOM 106 O ASP A 432 11.560 -7.412 4.014 1.00 0.00 O ATOM 107 CB ASP A 432 12.479 -9.664 6.281 1.00 0.00 C ATOM 108 CG ASP A 432 12.140 -11.103 5.916 1.00 0.00 C ATOM 109 OD1 ASP A 432 13.057 -11.949 6.020 1.00 0.00 O ATOM 110 OD2 ASP A 432 10.975 -11.350 5.532 1.00 0.00 O ATOM 0 H ASP A 432 13.232 -6.873 5.408 1.00 0.00 H new ATOM 0 HA ASP A 432 13.791 -9.592 4.586 1.00 0.00 H new ATOM 0 HB2 ASP A 432 13.185 -9.650 7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 432 11.580 -9.147 6.618 1.00 0.00 H new ATOM 115 N SER A 433 11.545 -9.539 3.272 1.00 0.00 N ATOM 116 CA SER A 433 10.523 -9.323 2.255 1.00 0.00 C ATOM 117 C SER A 433 9.119 -9.268 2.857 1.00 0.00 C ATOM 118 O SER A 433 8.166 -8.937 2.151 1.00 0.00 O ATOM 119 CB SER A 433 10.602 -10.432 1.208 1.00 0.00 C ATOM 120 OG SER A 433 11.896 -10.485 0.645 1.00 0.00 O ATOM 0 H SER A 433 11.884 -10.500 3.318 1.00 0.00 H new ATOM 0 HA SER A 433 10.714 -8.357 1.787 1.00 0.00 H new ATOM 0 HB2 SER A 433 10.358 -11.391 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 433 9.865 -10.255 0.425 1.00 0.00 H new ATOM 0 HG SER A 433 11.933 -11.201 -0.023 1.00 0.00 H new ATOM 126 N LEU A 434 8.979 -9.587 4.150 1.00 0.00 N ATOM 127 CA LEU A 434 7.714 -9.540 4.862 1.00 0.00 C ATOM 128 C LEU A 434 7.042 -8.176 4.690 1.00 0.00 C ATOM 129 O LEU A 434 7.721 -7.179 4.466 1.00 0.00 O ATOM 130 CB LEU A 434 7.993 -9.788 6.350 1.00 0.00 C ATOM 131 CG LEU A 434 7.120 -10.891 6.943 1.00 0.00 C ATOM 132 CD1 LEU A 434 7.336 -12.252 6.289 1.00 0.00 C ATOM 133 CD2 LEU A 434 7.465 -11.034 8.422 1.00 0.00 C ATOM 0 H LEU A 434 9.760 -9.889 4.732 1.00 0.00 H new ATOM 0 HA LEU A 434 7.044 -10.301 4.461 1.00 0.00 H new ATOM 0 HB2 LEU A 434 9.042 -10.054 6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 434 7.828 -8.864 6.904 1.00 0.00 H new ATOM 0 HG LEU A 434 6.083 -10.600 6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 434 6.684 -12.989 6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 434 7.103 -12.186 5.226 1.00 0.00 H new ATOM 0 HD13 LEU A 434 8.376 -12.555 6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 434 6.851 -11.818 8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 434 8.518 -11.295 8.526 1.00 0.00 H new ATOM 0 HD23 LEU A 434 7.273 -10.091 8.933 1.00 0.00 H new ATOM 145 N CYS A 435 5.711 -8.130 4.801 1.00 0.00 N ATOM 146 CA CYS A 435 4.989 -6.869 4.785 1.00 0.00 C ATOM 147 C CYS A 435 5.531 -6.006 5.921 1.00 0.00 C ATOM 148 O CYS A 435 5.635 -6.469 7.057 1.00 0.00 O ATOM 149 CB CYS A 435 3.491 -7.146 4.945 1.00 0.00 C ATOM 150 SG CYS A 435 2.572 -5.599 5.124 1.00 0.00 S ATOM 0 H CYS A 435 5.119 -8.954 4.902 1.00 0.00 H new ATOM 0 HA CYS A 435 5.127 -6.339 3.842 1.00 0.00 H new ATOM 0 HB2 CYS A 435 3.123 -7.696 4.079 1.00 0.00 H new ATOM 0 HB3 CYS A 435 3.324 -7.777 5.818 1.00 0.00 H new ATOM 155 N HIS A 436 5.877 -4.749 5.626 1.00 0.00 N ATOM 156 CA HIS A 436 6.509 -3.882 6.611 1.00 0.00 C ATOM 157 C HIS A 436 5.482 -3.216 7.529 1.00 0.00 C ATOM 158 O HIS A 436 5.848 -2.382 8.357 1.00 0.00 O ATOM 159 CB HIS A 436 7.419 -2.866 5.921 1.00 0.00 C ATOM 160 CG HIS A 436 8.596 -3.504 5.218 1.00 0.00 C ATOM 161 ND1 HIS A 436 9.343 -2.904 4.200 1.00 0.00 N ATOM 162 CD2 HIS A 436 9.108 -4.743 5.475 1.00 0.00 C ATOM 163 CE1 HIS A 436 10.293 -3.799 3.878 1.00 0.00 C ATOM 164 NE2 HIS A 436 10.170 -4.913 4.618 1.00 0.00 N ATOM 0 H HIS A 436 5.729 -4.315 4.715 1.00 0.00 H new ATOM 0 HA HIS A 436 7.133 -4.500 7.257 1.00 0.00 H new ATOM 0 HB2 HIS A 436 6.835 -2.298 5.197 1.00 0.00 H new ATOM 0 HB3 HIS A 436 7.787 -2.156 6.661 1.00 0.00 H new ATOM 0 HD2 HIS A 436 8.749 -5.451 6.208 1.00 0.00 H new ATOM 0 HE1 HIS A 436 11.052 -3.643 3.126 1.00 0.00 H new ATOM 0 HE2 HIS A 436 10.762 -5.741 4.555 1.00 0.00 H new ATOM 172 N ILE A 437 4.203 -3.581 7.388 1.00 0.00 N ATOM 173 CA ILE A 437 3.128 -3.053 8.219 1.00 0.00 C ATOM 174 C ILE A 437 2.358 -4.195 8.886 1.00 0.00 C ATOM 175 O ILE A 437 1.758 -3.998 9.944 1.00 0.00 O ATOM 176 CB ILE A 437 2.172 -2.223 7.350 1.00 0.00 C ATOM 177 CG1 ILE A 437 2.894 -1.141 6.542 1.00 0.00 C ATOM 178 CG2 ILE A 437 1.080 -1.578 8.206 1.00 0.00 C ATOM 179 CD1 ILE A 437 3.540 -0.058 7.408 1.00 0.00 C ATOM 0 H ILE A 437 3.888 -4.254 6.689 1.00 0.00 H new ATOM 0 HA ILE A 437 3.559 -2.422 8.996 1.00 0.00 H new ATOM 0 HB ILE A 437 1.722 -2.919 6.642 1.00 0.00 H new ATOM 0 HG12 ILE A 437 3.663 -1.610 5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 437 2.183 -0.673 5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 437 0.415 -0.995 7.569 1.00 0.00 H new ATOM 0 HG22 ILE A 437 0.508 -2.355 8.713 1.00 0.00 H new ATOM 0 HG23 ILE A 437 1.538 -0.923 8.947 1.00 0.00 H new ATOM 0 HD11 ILE A 437 4.033 0.674 6.768 1.00 0.00 H new ATOM 0 HD12 ILE A 437 2.773 0.438 8.003 1.00 0.00 H new ATOM 0 HD13 ILE A 437 4.275 -0.513 8.071 1.00 0.00 H new ATOM 191 N CYS A 438 2.372 -5.379 8.271 1.00 0.00 N ATOM 192 CA CYS A 438 1.559 -6.504 8.713 1.00 0.00 C ATOM 193 C CYS A 438 2.417 -7.703 9.122 1.00 0.00 C ATOM 194 O CYS A 438 1.989 -8.502 9.955 1.00 0.00 O ATOM 195 CB CYS A 438 0.612 -6.880 7.574 1.00 0.00 C ATOM 196 SG CYS A 438 -0.212 -5.393 6.948 1.00 0.00 S ATOM 0 H CYS A 438 2.948 -5.581 7.454 1.00 0.00 H new ATOM 0 HA CYS A 438 0.994 -6.212 9.598 1.00 0.00 H new ATOM 0 HB2 CYS A 438 1.168 -7.365 6.771 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -0.129 -7.597 7.926 1.00 0.00 H new ATOM 201 N SER A 439 3.615 -7.822 8.536 1.00 0.00 N ATOM 202 CA SER A 439 4.600 -8.856 8.844 1.00 0.00 C ATOM 203 C SER A 439 4.007 -10.251 9.067 1.00 0.00 C ATOM 204 O SER A 439 4.488 -11.004 9.919 1.00 0.00 O ATOM 205 CB SER A 439 5.514 -8.413 9.990 1.00 0.00 C ATOM 206 OG SER A 439 4.763 -7.923 11.085 1.00 0.00 O ATOM 0 H SER A 439 3.932 -7.178 7.811 1.00 0.00 H new ATOM 0 HA SER A 439 5.210 -8.970 7.948 1.00 0.00 H new ATOM 0 HB2 SER A 439 6.128 -9.253 10.314 1.00 0.00 H new ATOM 0 HB3 SER A 439 6.195 -7.638 9.637 1.00 0.00 H new ATOM 0 HG SER A 439 5.372 -7.649 11.803 1.00 0.00 H new ATOM 212 N SER A 440 2.964 -10.608 8.312 1.00 0.00 N ATOM 213 CA SER A 440 2.321 -11.912 8.408 1.00 0.00 C ATOM 214 C SER A 440 2.343 -12.653 7.073 1.00 0.00 C ATOM 215 O SER A 440 1.854 -13.775 6.971 1.00 0.00 O ATOM 216 CB SER A 440 0.887 -11.710 8.879 1.00 0.00 C ATOM 217 OG SER A 440 0.860 -11.207 10.196 1.00 0.00 O ATOM 0 H SER A 440 2.543 -9.994 7.615 1.00 0.00 H new ATOM 0 HA SER A 440 2.871 -12.526 9.122 1.00 0.00 H new ATOM 0 HB2 SER A 440 0.373 -11.019 8.210 1.00 0.00 H new ATOM 0 HB3 SER A 440 0.348 -12.656 8.835 1.00 0.00 H new ATOM 0 HG SER A 440 1.225 -10.298 10.206 1.00 0.00 H new ATOM 223 N GLN A 441 2.911 -12.020 6.045 1.00 0.00 N ATOM 224 CA GLN A 441 3.011 -12.560 4.700 1.00 0.00 C ATOM 225 C GLN A 441 4.308 -12.070 4.056 1.00 0.00 C ATOM 226 O GLN A 441 4.815 -11.018 4.444 1.00 0.00 O ATOM 227 CB GLN A 441 1.786 -12.157 3.874 1.00 0.00 C ATOM 228 CG GLN A 441 1.538 -10.643 3.837 1.00 0.00 C ATOM 229 CD GLN A 441 0.970 -10.111 5.147 1.00 0.00 C ATOM 230 OE1 GLN A 441 1.685 -9.517 5.948 1.00 0.00 O ATOM 231 NE2 GLN A 441 -0.322 -10.319 5.381 1.00 0.00 N ATOM 0 H GLN A 441 3.324 -11.092 6.134 1.00 0.00 H new ATOM 0 HA GLN A 441 3.034 -13.649 4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 441 1.911 -12.521 2.854 1.00 0.00 H new ATOM 0 HB3 GLN A 441 0.905 -12.651 4.283 1.00 0.00 H new ATOM 0 HG2 GLN A 441 2.474 -10.130 3.616 1.00 0.00 H new ATOM 0 HG3 GLN A 441 0.848 -10.411 3.025 1.00 0.00 H new ATOM 0 HE21 GLN A 441 -0.891 -10.816 4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -0.744 -9.981 6.246 1.00 0.00 H new ATOM 240 N PRO A 442 4.853 -12.809 3.082 1.00 0.00 N ATOM 241 CA PRO A 442 6.115 -12.505 2.415 1.00 0.00 C ATOM 242 C PRO A 442 6.046 -11.271 1.508 1.00 0.00 C ATOM 243 O PRO A 442 6.897 -11.103 0.636 1.00 0.00 O ATOM 244 CB PRO A 442 6.462 -13.774 1.637 1.00 0.00 C ATOM 245 CG PRO A 442 5.093 -14.345 1.294 1.00 0.00 C ATOM 246 CD PRO A 442 4.288 -14.037 2.552 1.00 0.00 C ATOM 0 HA PRO A 442 6.885 -12.242 3.141 1.00 0.00 H new ATOM 0 HB2 PRO A 442 7.044 -13.553 0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 442 7.051 -14.468 2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 442 4.664 -13.871 0.411 1.00 0.00 H new ATOM 0 HG3 PRO A 442 5.138 -15.415 1.092 1.00 0.00 H new ATOM 0 HD2 PRO A 442 3.230 -13.915 2.321 1.00 0.00 H new ATOM 0 HD3 PRO A 442 4.364 -14.849 3.276 1.00 0.00 H new ATOM 254 N GLY A 443 5.042 -10.410 1.706 1.00 0.00 N ATOM 255 CA GLY A 443 4.880 -9.185 0.940 1.00 0.00 C ATOM 256 C GLY A 443 4.525 -9.484 -0.515 1.00 0.00 C ATOM 257 O GLY A 443 5.409 -9.522 -1.370 1.00 0.00 O ATOM 0 H GLY A 443 4.317 -10.551 2.410 1.00 0.00 H new ATOM 0 HA2 GLY A 443 4.098 -8.573 1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 443 5.801 -8.604 0.980 1.00 0.00 H new ATOM 261 N PRO A 444 3.237 -9.701 -0.818 1.00 0.00 N ATOM 262 CA PRO A 444 2.772 -10.001 -2.162 1.00 0.00 C ATOM 263 C PRO A 444 2.858 -8.768 -3.064 1.00 0.00 C ATOM 264 O PRO A 444 2.701 -8.886 -4.277 1.00 0.00 O ATOM 265 CB PRO A 444 1.324 -10.462 -1.977 1.00 0.00 C ATOM 266 CG PRO A 444 0.870 -9.679 -0.751 1.00 0.00 C ATOM 267 CD PRO A 444 2.125 -9.671 0.116 1.00 0.00 C ATOM 0 HA PRO A 444 3.381 -10.762 -2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 444 0.713 -10.234 -2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 444 1.260 -11.538 -1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 444 0.548 -8.670 -1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 444 0.032 -10.162 -0.248 1.00 0.00 H new ATOM 0 HD2 PRO A 444 2.163 -8.781 0.744 1.00 0.00 H new ATOM 0 HD3 PRO A 444 2.148 -10.533 0.783 1.00 0.00 H new ATOM 275 N PHE A 445 3.106 -7.591 -2.479 1.00 0.00 N ATOM 276 CA PHE A 445 3.200 -6.349 -3.231 1.00 0.00 C ATOM 277 C PHE A 445 4.331 -5.463 -2.715 1.00 0.00 C ATOM 278 O PHE A 445 4.802 -5.618 -1.589 1.00 0.00 O ATOM 279 CB PHE A 445 1.873 -5.591 -3.141 1.00 0.00 C ATOM 280 CG PHE A 445 0.678 -6.367 -3.645 1.00 0.00 C ATOM 281 CD1 PHE A 445 0.541 -6.645 -5.012 1.00 0.00 C ATOM 282 CD2 PHE A 445 -0.300 -6.807 -2.740 1.00 0.00 C ATOM 283 CE1 PHE A 445 -0.573 -7.361 -5.474 1.00 0.00 C ATOM 284 CE2 PHE A 445 -1.417 -7.514 -3.202 1.00 0.00 C ATOM 285 CZ PHE A 445 -1.551 -7.792 -4.571 1.00 0.00 C ATOM 0 H PHE A 445 3.246 -7.480 -1.475 1.00 0.00 H new ATOM 0 HA PHE A 445 3.417 -6.601 -4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 445 1.698 -5.311 -2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 445 1.957 -4.666 -3.711 1.00 0.00 H new ATOM 0 HD1 PHE A 445 1.293 -6.308 -5.710 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.191 -6.600 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -0.676 -7.580 -6.527 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.174 -7.845 -2.506 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.411 -8.340 -4.928 1.00 0.00 H new ATOM 295 N PHE A 446 4.755 -4.526 -3.563 1.00 0.00 N ATOM 296 CA PHE A 446 5.730 -3.500 -3.232 1.00 0.00 C ATOM 297 C PHE A 446 5.294 -2.196 -3.894 1.00 0.00 C ATOM 298 O PHE A 446 4.554 -2.221 -4.879 1.00 0.00 O ATOM 299 CB PHE A 446 7.121 -3.935 -3.709 1.00 0.00 C ATOM 300 CG PHE A 446 8.232 -2.957 -3.380 1.00 0.00 C ATOM 301 CD1 PHE A 446 8.867 -3.019 -2.130 1.00 0.00 C ATOM 302 CD2 PHE A 446 8.635 -1.994 -4.316 1.00 0.00 C ATOM 303 CE1 PHE A 446 9.899 -2.124 -1.820 1.00 0.00 C ATOM 304 CE2 PHE A 446 9.670 -1.097 -4.007 1.00 0.00 C ATOM 305 CZ PHE A 446 10.303 -1.164 -2.758 1.00 0.00 C ATOM 0 H PHE A 446 4.418 -4.462 -4.523 1.00 0.00 H new ATOM 0 HA PHE A 446 5.785 -3.350 -2.154 1.00 0.00 H new ATOM 0 HB2 PHE A 446 7.359 -4.900 -3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 446 7.092 -4.082 -4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 446 8.559 -3.758 -1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 446 8.147 -1.942 -5.278 1.00 0.00 H new ATOM 0 HE1 PHE A 446 10.384 -2.174 -0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 446 9.978 -0.357 -4.730 1.00 0.00 H new ATOM 0 HZ PHE A 446 11.101 -0.477 -2.519 1.00 0.00 H new ATOM 315 N CYS A 447 5.744 -1.061 -3.362 1.00 0.00 N ATOM 316 CA CYS A 447 5.381 0.240 -3.891 1.00 0.00 C ATOM 317 C CYS A 447 6.631 1.119 -3.966 1.00 0.00 C ATOM 318 O CYS A 447 7.449 1.120 -3.044 1.00 0.00 O ATOM 319 CB CYS A 447 4.277 0.824 -3.011 1.00 0.00 C ATOM 320 SG CYS A 447 3.524 2.250 -3.832 1.00 0.00 S ATOM 0 H CYS A 447 6.368 -1.024 -2.556 1.00 0.00 H new ATOM 0 HA CYS A 447 4.989 0.172 -4.906 1.00 0.00 H new ATOM 0 HB2 CYS A 447 3.519 0.066 -2.812 1.00 0.00 H new ATOM 0 HB3 CYS A 447 4.689 1.124 -2.047 1.00 0.00 H new ATOM 0 HG CYS A 447 3.086 3.085 -2.937 1.00 0.00 H new ATOM 325 N ARG A 448 6.778 1.866 -5.066 1.00 0.00 N ATOM 326 CA ARG A 448 8.012 2.577 -5.384 1.00 0.00 C ATOM 327 C ARG A 448 7.793 4.059 -5.697 1.00 0.00 C ATOM 328 O ARG A 448 8.706 4.732 -6.171 1.00 0.00 O ATOM 329 CB ARG A 448 8.656 1.836 -6.555 1.00 0.00 C ATOM 330 CG ARG A 448 10.147 2.135 -6.706 1.00 0.00 C ATOM 331 CD ARG A 448 10.704 1.202 -7.776 1.00 0.00 C ATOM 332 NE ARG A 448 10.178 1.539 -9.104 1.00 0.00 N ATOM 333 CZ ARG A 448 10.211 0.710 -10.151 1.00 0.00 C ATOM 334 NH1 ARG A 448 10.744 -0.506 -10.046 1.00 0.00 N ATOM 335 NH2 ARG A 448 9.703 1.096 -11.314 1.00 0.00 N ATOM 0 H ARG A 448 6.041 1.992 -5.759 1.00 0.00 H new ATOM 0 HA ARG A 448 8.668 2.581 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 448 8.519 0.763 -6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 448 8.142 2.108 -7.477 1.00 0.00 H new ATOM 0 HG2 ARG A 448 10.301 3.176 -6.989 1.00 0.00 H new ATOM 0 HG3 ARG A 448 10.665 1.983 -5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 448 11.792 1.266 -7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 448 10.448 0.171 -7.532 1.00 0.00 H new ATOM 0 HE ARG A 448 9.762 2.461 -9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 448 11.135 -0.816 -9.156 1.00 0.00 H new ATOM 0 HH12 ARG A 448 10.761 -1.127 -10.855 1.00 0.00 H new ATOM 0 HH21 ARG A 448 9.289 2.023 -11.407 1.00 0.00 H new ATOM 0 HH22 ARG A 448 9.727 0.465 -12.115 1.00 0.00 H new ATOM 349 N ASP A 449 6.589 4.575 -5.443 1.00 0.00 N ATOM 350 CA ASP A 449 6.254 5.961 -5.726 1.00 0.00 C ATOM 351 C ASP A 449 6.976 6.929 -4.785 1.00 0.00 C ATOM 352 O ASP A 449 7.739 6.518 -3.912 1.00 0.00 O ATOM 353 CB ASP A 449 4.739 6.119 -5.657 1.00 0.00 C ATOM 354 CG ASP A 449 4.074 5.486 -6.879 1.00 0.00 C ATOM 355 OD1 ASP A 449 3.870 4.251 -6.858 1.00 0.00 O ATOM 356 OD2 ASP A 449 3.773 6.248 -7.825 1.00 0.00 O ATOM 0 H ASP A 449 5.823 4.039 -5.035 1.00 0.00 H new ATOM 0 HA ASP A 449 6.596 6.216 -6.729 1.00 0.00 H new ATOM 0 HB2 ASP A 449 4.361 5.652 -4.748 1.00 0.00 H new ATOM 0 HB3 ASP A 449 4.481 7.177 -5.603 1.00 0.00 H new ATOM 361 N GLN A 450 6.731 8.230 -4.965 1.00 0.00 N ATOM 362 CA GLN A 450 7.449 9.293 -4.271 1.00 0.00 C ATOM 363 C GLN A 450 7.289 9.243 -2.744 1.00 0.00 C ATOM 364 O GLN A 450 8.039 9.909 -2.030 1.00 0.00 O ATOM 365 CB GLN A 450 6.967 10.629 -4.842 1.00 0.00 C ATOM 366 CG GLN A 450 7.822 11.804 -4.362 1.00 0.00 C ATOM 367 CD GLN A 450 7.421 13.098 -5.056 1.00 0.00 C ATOM 368 OE1 GLN A 450 8.083 13.543 -5.992 1.00 0.00 O ATOM 369 NE2 GLN A 450 6.333 13.718 -4.605 1.00 0.00 N ATOM 0 H GLN A 450 6.017 8.575 -5.607 1.00 0.00 H new ATOM 0 HA GLN A 450 8.518 9.162 -4.441 1.00 0.00 H new ATOM 0 HB2 GLN A 450 6.990 10.586 -5.931 1.00 0.00 H new ATOM 0 HB3 GLN A 450 5.930 10.794 -4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 450 7.714 11.919 -3.283 1.00 0.00 H new ATOM 0 HG3 GLN A 450 8.874 11.595 -4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 450 5.806 13.322 -3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 450 6.026 14.589 -5.038 1.00 0.00 H new ATOM 378 N VAL A 451 6.332 8.466 -2.226 1.00 0.00 N ATOM 379 CA VAL A 451 6.133 8.338 -0.782 1.00 0.00 C ATOM 380 C VAL A 451 6.179 6.882 -0.331 1.00 0.00 C ATOM 381 O VAL A 451 6.017 6.611 0.858 1.00 0.00 O ATOM 382 CB VAL A 451 4.823 9.003 -0.346 1.00 0.00 C ATOM 383 CG1 VAL A 451 4.794 10.487 -0.704 1.00 0.00 C ATOM 384 CG2 VAL A 451 3.619 8.333 -0.999 1.00 0.00 C ATOM 0 H VAL A 451 5.683 7.916 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 451 6.958 8.857 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 451 4.770 8.890 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 451 3.849 10.921 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 451 5.619 10.997 -0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 451 4.894 10.603 -1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 451 2.705 8.827 -0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 451 3.703 8.410 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 451 3.587 7.282 -0.711 1.00 0.00 H new ATOM 394 N CYS A 452 6.395 5.944 -1.260 1.00 0.00 N ATOM 395 CA CYS A 452 6.425 4.523 -0.952 1.00 0.00 C ATOM 396 C CYS A 452 7.800 3.930 -1.261 1.00 0.00 C ATOM 397 O CYS A 452 8.375 4.193 -2.317 1.00 0.00 O ATOM 398 CB CYS A 452 5.355 3.794 -1.763 1.00 0.00 C ATOM 399 SG CYS A 452 3.680 4.328 -1.315 1.00 0.00 S ATOM 0 H CYS A 452 6.553 6.156 -2.245 1.00 0.00 H new ATOM 0 HA CYS A 452 6.224 4.397 0.112 1.00 0.00 H new ATOM 0 HB2 CYS A 452 5.521 3.973 -2.825 1.00 0.00 H new ATOM 0 HB3 CYS A 452 5.448 2.720 -1.603 1.00 0.00 H new ATOM 404 N PHE A 453 8.327 3.127 -0.332 1.00 0.00 N ATOM 405 CA PHE A 453 9.639 2.511 -0.469 1.00 0.00 C ATOM 406 C PHE A 453 9.705 1.175 0.276 1.00 0.00 C ATOM 407 O PHE A 453 10.796 0.703 0.598 1.00 0.00 O ATOM 408 CB PHE A 453 10.707 3.465 0.082 1.00 0.00 C ATOM 409 CG PHE A 453 10.727 4.833 -0.564 1.00 0.00 C ATOM 410 CD1 PHE A 453 11.415 5.028 -1.770 1.00 0.00 C ATOM 411 CD2 PHE A 453 10.060 5.910 0.042 1.00 0.00 C ATOM 412 CE1 PHE A 453 11.431 6.291 -2.374 1.00 0.00 C ATOM 413 CE2 PHE A 453 10.078 7.175 -0.562 1.00 0.00 C ATOM 414 CZ PHE A 453 10.763 7.367 -1.770 1.00 0.00 C ATOM 0 H PHE A 453 7.850 2.889 0.537 1.00 0.00 H new ATOM 0 HA PHE A 453 9.821 2.317 -1.526 1.00 0.00 H new ATOM 0 HB2 PHE A 453 10.548 3.587 1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 453 11.687 3.004 -0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 453 11.934 4.202 -2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 453 9.533 5.764 0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 453 11.958 6.437 -3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 453 9.564 8.003 -0.096 1.00 0.00 H new ATOM 0 HZ PHE A 453 10.777 8.342 -2.235 1.00 0.00 H new ATOM 424 N LYS A 454 8.549 0.562 0.554 1.00 0.00 N ATOM 425 CA LYS A 454 8.462 -0.597 1.436 1.00 0.00 C ATOM 426 C LYS A 454 7.615 -1.711 0.826 1.00 0.00 C ATOM 427 O LYS A 454 6.888 -1.488 -0.143 1.00 0.00 O ATOM 428 CB LYS A 454 7.861 -0.154 2.775 1.00 0.00 C ATOM 429 CG LYS A 454 8.672 0.940 3.479 1.00 0.00 C ATOM 430 CD LYS A 454 10.052 0.439 3.907 1.00 0.00 C ATOM 431 CE LYS A 454 10.808 1.568 4.605 1.00 0.00 C ATOM 432 NZ LYS A 454 12.147 1.131 5.037 1.00 0.00 N ATOM 0 H LYS A 454 7.651 0.858 0.172 1.00 0.00 H new ATOM 0 HA LYS A 454 9.465 -0.997 1.584 1.00 0.00 H new ATOM 0 HB2 LYS A 454 6.847 0.209 2.607 1.00 0.00 H new ATOM 0 HB3 LYS A 454 7.785 -1.019 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 454 8.787 1.794 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 454 8.125 1.291 4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 454 9.949 -0.414 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 454 10.612 0.095 3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 454 10.901 2.418 3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 454 10.238 1.909 5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 12.635 1.920 5.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 12.055 0.336 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 12.698 0.828 4.208 1.00 0.00 H new ATOM 446 N TYR A 455 7.712 -2.916 1.400 1.00 0.00 N ATOM 447 CA TYR A 455 6.879 -4.041 1.010 1.00 0.00 C ATOM 448 C TYR A 455 5.548 -3.960 1.749 1.00 0.00 C ATOM 449 O TYR A 455 5.486 -3.473 2.876 1.00 0.00 O ATOM 450 CB TYR A 455 7.580 -5.369 1.304 1.00 0.00 C ATOM 451 CG TYR A 455 8.650 -5.733 0.299 1.00 0.00 C ATOM 452 CD1 TYR A 455 8.290 -6.386 -0.889 1.00 0.00 C ATOM 453 CD2 TYR A 455 9.992 -5.423 0.550 1.00 0.00 C ATOM 454 CE1 TYR A 455 9.270 -6.722 -1.833 1.00 0.00 C ATOM 455 CE2 TYR A 455 10.981 -5.759 -0.385 1.00 0.00 C ATOM 456 CZ TYR A 455 10.622 -6.408 -1.584 1.00 0.00 C ATOM 457 OH TYR A 455 11.576 -6.729 -2.503 1.00 0.00 O ATOM 0 H TYR A 455 8.373 -3.130 2.147 1.00 0.00 H new ATOM 0 HA TYR A 455 6.699 -3.995 -0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 455 8.029 -5.320 2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 455 6.835 -6.164 1.330 1.00 0.00 H new ATOM 0 HD1 TYR A 455 7.255 -6.631 -1.077 1.00 0.00 H new ATOM 0 HD2 TYR A 455 10.266 -4.923 1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 455 8.990 -7.220 -2.749 1.00 0.00 H new ATOM 0 HE2 TYR A 455 12.016 -5.521 -0.187 1.00 0.00 H new ATOM 0 HH TYR A 455 12.454 -6.442 -2.177 1.00 0.00 H new ATOM 467 N PHE A 456 4.484 -4.442 1.101 1.00 0.00 N ATOM 468 CA PHE A 456 3.134 -4.365 1.630 1.00 0.00 C ATOM 469 C PHE A 456 2.328 -5.600 1.238 1.00 0.00 C ATOM 470 O PHE A 456 2.794 -6.453 0.481 1.00 0.00 O ATOM 471 CB PHE A 456 2.437 -3.116 1.077 1.00 0.00 C ATOM 472 CG PHE A 456 3.081 -1.801 1.449 1.00 0.00 C ATOM 473 CD1 PHE A 456 2.953 -1.300 2.752 1.00 0.00 C ATOM 474 CD2 PHE A 456 3.798 -1.072 0.492 1.00 0.00 C ATOM 475 CE1 PHE A 456 3.530 -0.067 3.093 1.00 0.00 C ATOM 476 CE2 PHE A 456 4.377 0.156 0.829 1.00 0.00 C ATOM 477 CZ PHE A 456 4.241 0.662 2.129 1.00 0.00 C ATOM 0 H PHE A 456 4.543 -4.898 0.190 1.00 0.00 H new ATOM 0 HA PHE A 456 3.193 -4.312 2.717 1.00 0.00 H new ATOM 0 HB2 PHE A 456 2.402 -3.190 -0.010 1.00 0.00 H new ATOM 0 HB3 PHE A 456 1.405 -3.109 1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 456 2.409 -1.864 3.495 1.00 0.00 H new ATOM 0 HD2 PHE A 456 3.904 -1.460 -0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 456 3.427 0.320 4.096 1.00 0.00 H new ATOM 0 HE2 PHE A 456 4.929 0.714 0.087 1.00 0.00 H new ATOM 0 HZ PHE A 456 4.683 1.613 2.388 1.00 0.00 H new ATOM 487 N CYS A 457 1.111 -5.678 1.766 1.00 0.00 N ATOM 488 CA CYS A 457 0.140 -6.712 1.467 1.00 0.00 C ATOM 489 C CYS A 457 -1.187 -6.042 1.107 1.00 0.00 C ATOM 490 O CYS A 457 -1.295 -4.817 1.158 1.00 0.00 O ATOM 491 CB CYS A 457 0.017 -7.649 2.666 1.00 0.00 C ATOM 492 SG CYS A 457 -0.494 -6.702 4.122 1.00 0.00 S ATOM 0 H CYS A 457 0.766 -4.994 2.439 1.00 0.00 H new ATOM 0 HA CYS A 457 0.453 -7.317 0.616 1.00 0.00 H new ATOM 0 HB2 CYS A 457 -0.710 -8.433 2.455 1.00 0.00 H new ATOM 0 HB3 CYS A 457 0.971 -8.142 2.856 1.00 0.00 H new ATOM 497 N ARG A 458 -2.204 -6.826 0.738 1.00 0.00 N ATOM 498 CA ARG A 458 -3.477 -6.265 0.302 1.00 0.00 C ATOM 499 C ARG A 458 -4.114 -5.403 1.395 1.00 0.00 C ATOM 500 O ARG A 458 -4.818 -4.442 1.092 1.00 0.00 O ATOM 501 CB ARG A 458 -4.402 -7.421 -0.093 1.00 0.00 C ATOM 502 CG ARG A 458 -5.701 -6.901 -0.708 1.00 0.00 C ATOM 503 CD ARG A 458 -6.591 -8.061 -1.155 1.00 0.00 C ATOM 504 NE ARG A 458 -7.018 -8.885 -0.018 1.00 0.00 N ATOM 505 CZ ARG A 458 -7.718 -10.015 -0.139 1.00 0.00 C ATOM 506 NH1 ARG A 458 -8.080 -10.470 -1.336 1.00 0.00 N ATOM 507 NH2 ARG A 458 -8.066 -10.697 0.947 1.00 0.00 N ATOM 0 H ARG A 458 -2.167 -7.845 0.734 1.00 0.00 H new ATOM 0 HA ARG A 458 -3.311 -5.612 -0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 458 -3.893 -8.071 -0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 458 -4.628 -8.026 0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 458 -6.233 -6.287 0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 458 -5.475 -6.261 -1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 458 -7.468 -7.670 -1.671 1.00 0.00 H new ATOM 0 HD3 ARG A 458 -6.050 -8.680 -1.871 1.00 0.00 H new ATOM 0 HE ARG A 458 -6.765 -8.576 0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 458 -7.823 -9.954 -2.177 1.00 0.00 H new ATOM 0 HH12 ARG A 458 -8.615 -11.335 -1.412 1.00 0.00 H new ATOM 0 HH21 ARG A 458 -7.798 -10.357 1.871 1.00 0.00 H new ATOM 0 HH22 ARG A 458 -8.601 -11.561 0.857 1.00 0.00 H new ATOM 521 N SER A 459 -3.871 -5.739 2.663 1.00 0.00 N ATOM 522 CA SER A 459 -4.467 -5.031 3.784 1.00 0.00 C ATOM 523 C SER A 459 -3.892 -3.626 3.922 1.00 0.00 C ATOM 524 O SER A 459 -4.634 -2.647 3.865 1.00 0.00 O ATOM 525 CB SER A 459 -4.218 -5.827 5.062 1.00 0.00 C ATOM 526 OG SER A 459 -4.905 -7.061 5.002 1.00 0.00 O ATOM 0 H SER A 459 -3.257 -6.507 2.935 1.00 0.00 H new ATOM 0 HA SER A 459 -5.538 -4.933 3.607 1.00 0.00 H new ATOM 0 HB2 SER A 459 -3.150 -6.002 5.190 1.00 0.00 H new ATOM 0 HB3 SER A 459 -4.553 -5.256 5.928 1.00 0.00 H new ATOM 0 HG SER A 459 -4.740 -7.568 5.824 1.00 0.00 H new ATOM 532 N CYS A 460 -2.575 -3.525 4.101 1.00 0.00 N ATOM 533 CA CYS A 460 -1.931 -2.252 4.360 1.00 0.00 C ATOM 534 C CYS A 460 -1.789 -1.422 3.089 1.00 0.00 C ATOM 535 O CYS A 460 -1.655 -0.198 3.167 1.00 0.00 O ATOM 536 CB CYS A 460 -0.598 -2.509 5.059 1.00 0.00 C ATOM 537 SG CYS A 460 0.373 -3.699 4.104 1.00 0.00 S ATOM 0 H CYS A 460 -1.936 -4.319 4.070 1.00 0.00 H new ATOM 0 HA CYS A 460 -2.555 -1.652 5.023 1.00 0.00 H new ATOM 0 HB2 CYS A 460 -0.046 -1.575 5.164 1.00 0.00 H new ATOM 0 HB3 CYS A 460 -0.772 -2.891 6.065 1.00 0.00 H new ATOM 542 N TRP A 461 -1.827 -2.061 1.916 1.00 0.00 N ATOM 543 CA TRP A 461 -1.862 -1.316 0.676 1.00 0.00 C ATOM 544 C TRP A 461 -3.112 -0.447 0.679 1.00 0.00 C ATOM 545 O TRP A 461 -3.035 0.740 0.389 1.00 0.00 O ATOM 546 CB TRP A 461 -1.872 -2.257 -0.528 1.00 0.00 C ATOM 547 CG TRP A 461 -1.949 -1.550 -1.841 1.00 0.00 C ATOM 548 CD1 TRP A 461 -3.072 -1.038 -2.394 1.00 0.00 C ATOM 549 CD2 TRP A 461 -0.874 -1.248 -2.780 1.00 0.00 C ATOM 550 NE1 TRP A 461 -2.763 -0.423 -3.589 1.00 0.00 N ATOM 551 CE2 TRP A 461 -1.414 -0.502 -3.865 1.00 0.00 C ATOM 552 CE3 TRP A 461 0.505 -1.522 -2.815 1.00 0.00 C ATOM 553 CZ2 TRP A 461 -0.620 -0.019 -4.911 1.00 0.00 C ATOM 554 CZ3 TRP A 461 1.306 -1.058 -3.871 1.00 0.00 C ATOM 555 CH2 TRP A 461 0.751 -0.296 -4.908 1.00 0.00 C ATOM 0 H TRP A 461 -1.834 -3.075 1.809 1.00 0.00 H new ATOM 0 HA TRP A 461 -0.970 -0.694 0.597 1.00 0.00 H new ATOM 0 HB2 TRP A 461 -0.970 -2.869 -0.507 1.00 0.00 H new ATOM 0 HB3 TRP A 461 -2.720 -2.936 -0.440 1.00 0.00 H new ATOM 0 HD1 TRP A 461 -4.061 -1.101 -1.965 1.00 0.00 H new ATOM 0 HE1 TRP A 461 -3.447 0.033 -4.193 1.00 0.00 H new ATOM 0 HE3 TRP A 461 0.954 -2.097 -2.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 -1.060 0.560 -5.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 2.361 -1.291 -3.884 1.00 0.00 H new ATOM 0 HH2 TRP A 461 1.380 0.076 -5.703 1.00 0.00 H new ATOM 566 N HIS A 462 -4.272 -1.025 1.013 1.00 0.00 N ATOM 567 CA HIS A 462 -5.515 -0.269 1.036 1.00 0.00 C ATOM 568 C HIS A 462 -5.632 0.602 2.287 1.00 0.00 C ATOM 569 O HIS A 462 -6.571 1.392 2.392 1.00 0.00 O ATOM 570 CB HIS A 462 -6.705 -1.226 0.915 1.00 0.00 C ATOM 571 CG HIS A 462 -6.784 -1.906 -0.425 1.00 0.00 C ATOM 572 ND1 HIS A 462 -6.618 -1.277 -1.663 1.00 0.00 N ATOM 573 CD2 HIS A 462 -7.036 -3.232 -0.625 1.00 0.00 C ATOM 574 CE1 HIS A 462 -6.776 -2.244 -2.579 1.00 0.00 C ATOM 575 NE2 HIS A 462 -7.030 -3.424 -1.988 1.00 0.00 N ATOM 0 H HIS A 462 -4.369 -2.008 1.268 1.00 0.00 H new ATOM 0 HA HIS A 462 -5.516 0.409 0.182 1.00 0.00 H new ATOM 0 HB2 HIS A 462 -6.635 -1.983 1.696 1.00 0.00 H new ATOM 0 HB3 HIS A 462 -7.628 -0.672 1.089 1.00 0.00 H new ATOM 0 HD2 HIS A 462 -7.206 -3.981 0.134 1.00 0.00 H new ATOM 0 HE1 HIS A 462 -6.708 -2.095 -3.646 1.00 0.00 H new ATOM 0 HE2 HIS A 462 -7.191 -4.310 -2.467 1.00 0.00 H new ATOM 583 N TRP A 463 -4.701 0.482 3.242 1.00 0.00 N ATOM 584 CA TRP A 463 -4.709 1.366 4.403 1.00 0.00 C ATOM 585 C TRP A 463 -4.064 2.722 4.099 1.00 0.00 C ATOM 586 O TRP A 463 -4.313 3.672 4.836 1.00 0.00 O ATOM 587 CB TRP A 463 -4.013 0.705 5.596 1.00 0.00 C ATOM 588 CG TRP A 463 -4.701 -0.486 6.196 1.00 0.00 C ATOM 589 CD1 TRP A 463 -6.005 -0.811 6.045 1.00 0.00 C ATOM 590 CD2 TRP A 463 -4.133 -1.527 7.050 1.00 0.00 C ATOM 591 NE1 TRP A 463 -6.281 -1.972 6.737 1.00 0.00 N ATOM 592 CE2 TRP A 463 -5.158 -2.464 7.368 1.00 0.00 C ATOM 593 CE3 TRP A 463 -2.854 -1.775 7.588 1.00 0.00 C ATOM 594 CZ2 TRP A 463 -4.924 -3.586 8.173 1.00 0.00 C ATOM 595 CZ3 TRP A 463 -2.611 -2.902 8.387 1.00 0.00 C ATOM 596 CH2 TRP A 463 -3.639 -3.810 8.680 1.00 0.00 C ATOM 0 H TRP A 463 -3.948 -0.206 3.231 1.00 0.00 H new ATOM 0 HA TRP A 463 -5.753 1.547 4.658 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -3.014 0.400 5.283 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -3.887 1.455 6.376 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -6.723 -0.246 5.469 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -7.201 -2.411 6.777 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -2.048 -1.086 7.382 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -5.727 -4.271 8.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -1.620 -3.073 8.781 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -3.440 -4.677 9.293 1.00 0.00 H new ATOM 607 N ARG A 464 -3.249 2.833 3.039 1.00 0.00 N ATOM 608 CA ARG A 464 -2.689 4.137 2.672 1.00 0.00 C ATOM 609 C ARG A 464 -2.894 4.499 1.196 1.00 0.00 C ATOM 610 O ARG A 464 -2.774 5.666 0.845 1.00 0.00 O ATOM 611 CB ARG A 464 -1.210 4.205 3.061 1.00 0.00 C ATOM 612 CG ARG A 464 -0.759 5.666 3.164 1.00 0.00 C ATOM 613 CD ARG A 464 0.690 5.773 3.636 1.00 0.00 C ATOM 614 NE ARG A 464 1.632 5.304 2.611 1.00 0.00 N ATOM 615 CZ ARG A 464 2.915 5.668 2.556 1.00 0.00 C ATOM 616 NH1 ARG A 464 3.439 6.462 3.487 1.00 0.00 N ATOM 617 NH2 ARG A 464 3.693 5.238 1.569 1.00 0.00 N ATOM 0 H ARG A 464 -2.970 2.058 2.437 1.00 0.00 H new ATOM 0 HA ARG A 464 -3.244 4.887 3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -1.053 3.700 4.014 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -0.607 3.681 2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -0.863 6.149 2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 464 -1.409 6.200 3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 464 0.914 6.809 3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 464 0.821 5.187 4.546 1.00 0.00 H new ATOM 0 HE ARG A 464 1.285 4.662 1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 464 2.859 6.800 4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 464 4.421 6.732 3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 464 3.311 4.626 0.848 1.00 0.00 H new ATOM 0 HH22 ARG A 464 4.673 5.520 1.532 1.00 0.00 H new ATOM 631 N HIS A 465 -3.203 3.533 0.330 1.00 0.00 N ATOM 632 CA HIS A 465 -3.433 3.822 -1.080 1.00 0.00 C ATOM 633 C HIS A 465 -4.914 4.105 -1.354 1.00 0.00 C ATOM 634 O HIS A 465 -5.325 4.206 -2.509 1.00 0.00 O ATOM 635 CB HIS A 465 -2.872 2.702 -1.959 1.00 0.00 C ATOM 636 CG HIS A 465 -1.377 2.541 -1.819 1.00 0.00 C ATOM 637 ND1 HIS A 465 -0.719 1.580 -1.094 1.00 0.00 N ATOM 638 CD2 HIS A 465 -0.416 3.333 -2.389 1.00 0.00 C ATOM 639 CE1 HIS A 465 0.602 1.782 -1.232 1.00 0.00 C ATOM 640 NE2 HIS A 465 0.846 2.849 -2.018 1.00 0.00 N ATOM 0 H HIS A 465 -3.299 2.549 0.582 1.00 0.00 H new ATOM 0 HA HIS A 465 -2.893 4.732 -1.341 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -3.360 1.763 -1.698 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -3.115 2.908 -3.001 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -1.157 0.840 -0.545 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -0.600 4.190 -3.020 1.00 0.00 H new ATOM 0 HE1 HIS A 465 1.366 1.171 -0.774 1.00 0.00 H new ATOM 648 N SER A 466 -5.718 4.234 -0.292 1.00 0.00 N ATOM 649 CA SER A 466 -7.141 4.530 -0.405 1.00 0.00 C ATOM 650 C SER A 466 -7.402 6.031 -0.501 1.00 0.00 C ATOM 651 O SER A 466 -8.487 6.439 -0.912 1.00 0.00 O ATOM 652 CB SER A 466 -7.853 3.960 0.819 1.00 0.00 C ATOM 653 OG SER A 466 -7.283 4.501 1.995 1.00 0.00 O ATOM 0 H SER A 466 -5.394 4.135 0.670 1.00 0.00 H new ATOM 0 HA SER A 466 -7.520 4.074 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 466 -8.916 4.196 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 466 -7.768 2.873 0.828 1.00 0.00 H new ATOM 0 HG SER A 466 -7.742 4.135 2.779 1.00 0.00 H new ATOM 659 N MET A 467 -6.416 6.851 -0.131 1.00 0.00 N ATOM 660 CA MET A 467 -6.536 8.304 -0.174 1.00 0.00 C ATOM 661 C MET A 467 -5.983 8.851 -1.485 1.00 0.00 C ATOM 662 O MET A 467 -5.196 8.190 -2.161 1.00 0.00 O ATOM 663 CB MET A 467 -5.849 8.917 1.049 1.00 0.00 C ATOM 664 CG MET A 467 -4.345 8.629 1.040 1.00 0.00 C ATOM 665 SD MET A 467 -3.473 9.160 2.537 1.00 0.00 S ATOM 666 CE MET A 467 -4.203 7.994 3.716 1.00 0.00 C ATOM 0 H MET A 467 -5.511 6.522 0.207 1.00 0.00 H new ATOM 0 HA MET A 467 -7.589 8.583 -0.137 1.00 0.00 H new ATOM 0 HB2 MET A 467 -6.016 9.994 1.062 1.00 0.00 H new ATOM 0 HB3 MET A 467 -6.294 8.515 1.959 1.00 0.00 H new ATOM 0 HG2 MET A 467 -4.193 7.558 0.906 1.00 0.00 H new ATOM 0 HG3 MET A 467 -3.898 9.124 0.178 1.00 0.00 H new ATOM 0 HE1 MET A 467 -3.561 7.914 4.593 1.00 0.00 H new ATOM 0 HE2 MET A 467 -5.188 8.351 4.018 1.00 0.00 H new ATOM 0 HE3 MET A 467 -4.300 7.015 3.247 1.00 0.00 H new ATOM 676 N GLU A 468 -6.393 10.069 -1.850 1.00 0.00 N ATOM 677 CA GLU A 468 -6.035 10.653 -3.132 1.00 0.00 C ATOM 678 C GLU A 468 -4.569 11.093 -3.189 1.00 0.00 C ATOM 679 O GLU A 468 -4.089 11.502 -4.245 1.00 0.00 O ATOM 680 CB GLU A 468 -6.971 11.820 -3.455 1.00 0.00 C ATOM 681 CG GLU A 468 -8.429 11.361 -3.446 1.00 0.00 C ATOM 682 CD GLU A 468 -9.339 12.428 -4.043 1.00 0.00 C ATOM 683 OE1 GLU A 468 -9.499 12.412 -5.286 1.00 0.00 O ATOM 684 OE2 GLU A 468 -9.864 13.251 -3.263 1.00 0.00 O ATOM 0 H GLU A 468 -6.977 10.668 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 468 -6.154 9.878 -3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -6.831 12.618 -2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -6.721 12.234 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -8.526 10.435 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -8.739 11.143 -2.424 1.00 0.00 H new ATOM 691 N GLY A 469 -3.853 11.009 -2.065 1.00 0.00 N ATOM 692 CA GLY A 469 -2.435 11.343 -2.028 1.00 0.00 C ATOM 693 C GLY A 469 -1.567 10.206 -2.560 1.00 0.00 C ATOM 694 O GLY A 469 -0.389 10.416 -2.834 1.00 0.00 O ATOM 0 H GLY A 469 -4.237 10.711 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 469 -2.258 12.241 -2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 469 -2.143 11.573 -1.003 1.00 0.00 H new ATOM 698 N LEU A 470 -2.141 9.004 -2.707 1.00 0.00 N ATOM 699 CA LEU A 470 -1.439 7.839 -3.215 1.00 0.00 C ATOM 700 C LEU A 470 -2.279 7.041 -4.215 1.00 0.00 C ATOM 701 O LEU A 470 -1.911 5.919 -4.564 1.00 0.00 O ATOM 702 CB LEU A 470 -1.012 6.926 -2.059 1.00 0.00 C ATOM 703 CG LEU A 470 -0.035 7.567 -1.073 1.00 0.00 C ATOM 704 CD1 LEU A 470 -0.714 8.372 0.030 1.00 0.00 C ATOM 705 CD2 LEU A 470 0.721 6.451 -0.353 1.00 0.00 C ATOM 0 H LEU A 470 -3.116 8.821 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 470 -0.558 8.206 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 470 -1.902 6.609 -1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 470 -0.554 6.027 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 470 0.596 8.233 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 470 0.043 8.796 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 470 -1.299 9.177 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 470 -1.372 7.720 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 470 1.425 6.887 0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 470 0.013 5.818 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 470 1.266 5.851 -1.082 1.00 0.00 H new ATOM 717 N ARG A 471 -3.404 7.587 -4.690 1.00 0.00 N ATOM 718 CA ARG A 471 -4.304 6.856 -5.585 1.00 0.00 C ATOM 719 C ARG A 471 -3.708 6.638 -6.976 1.00 0.00 C ATOM 720 O ARG A 471 -4.313 5.960 -7.806 1.00 0.00 O ATOM 721 CB ARG A 471 -5.648 7.586 -5.696 1.00 0.00 C ATOM 722 CG ARG A 471 -5.500 8.923 -6.428 1.00 0.00 C ATOM 723 CD ARG A 471 -6.860 9.601 -6.612 1.00 0.00 C ATOM 724 NE ARG A 471 -7.739 8.820 -7.489 1.00 0.00 N ATOM 725 CZ ARG A 471 -9.022 9.109 -7.726 1.00 0.00 C ATOM 726 NH1 ARG A 471 -9.610 10.160 -7.161 1.00 0.00 N ATOM 727 NH2 ARG A 471 -9.728 8.333 -8.542 1.00 0.00 N ATOM 0 H ARG A 471 -3.712 8.534 -4.468 1.00 0.00 H new ATOM 0 HA ARG A 471 -4.455 5.870 -5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -6.363 6.957 -6.226 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -6.053 7.758 -4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -4.836 9.579 -5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -5.036 8.760 -7.401 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -7.337 9.731 -5.640 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -6.717 10.596 -7.032 1.00 0.00 H new ATOM 0 HE ARG A 471 -7.344 8.000 -7.949 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -9.080 10.764 -6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -10.591 10.362 -7.356 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -9.290 7.524 -8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -10.708 8.547 -8.728 1.00 0.00 H new ATOM 741 N HIS A 472 -2.528 7.206 -7.230 1.00 0.00 N ATOM 742 CA HIS A 472 -1.862 7.150 -8.521 1.00 0.00 C ATOM 743 C HIS A 472 -0.753 6.098 -8.550 1.00 0.00 C ATOM 744 O HIS A 472 -0.062 5.961 -9.559 1.00 0.00 O ATOM 745 CB HIS A 472 -1.310 8.541 -8.836 1.00 0.00 C ATOM 746 CG HIS A 472 -0.359 9.033 -7.775 1.00 0.00 C ATOM 747 ND1 HIS A 472 -0.727 9.521 -6.519 1.00 0.00 N ATOM 748 CD2 HIS A 472 0.999 9.061 -7.890 1.00 0.00 C ATOM 749 CE1 HIS A 472 0.429 9.831 -5.908 1.00 0.00 C ATOM 750 NE2 HIS A 472 1.478 9.574 -6.709 1.00 0.00 N ATOM 0 H HIS A 472 -2.003 7.726 -6.527 1.00 0.00 H new ATOM 0 HA HIS A 472 -2.583 6.852 -9.282 1.00 0.00 H new ATOM 0 HB2 HIS A 472 -0.797 8.517 -9.797 1.00 0.00 H new ATOM 0 HB3 HIS A 472 -2.137 9.244 -8.934 1.00 0.00 H new ATOM 0 HD2 HIS A 472 1.583 8.743 -8.741 1.00 0.00 H new ATOM 0 HE1 HIS A 472 0.505 10.232 -4.908 1.00 0.00 H new ATOM 0 HE2 HIS A 472 2.459 9.732 -6.480 1.00 0.00 H new ATOM 758 N HIS A 473 -0.571 5.356 -7.451 1.00 0.00 N ATOM 759 CA HIS A 473 0.481 4.356 -7.345 1.00 0.00 C ATOM 760 C HIS A 473 0.127 3.094 -8.129 1.00 0.00 C ATOM 761 O HIS A 473 -1.039 2.863 -8.457 1.00 0.00 O ATOM 762 CB HIS A 473 0.727 4.017 -5.873 1.00 0.00 C ATOM 763 CG HIS A 473 1.271 5.159 -5.052 1.00 0.00 C ATOM 764 ND1 HIS A 473 1.813 5.036 -3.767 1.00 0.00 N ATOM 765 CD2 HIS A 473 1.312 6.472 -5.430 1.00 0.00 C ATOM 766 CE1 HIS A 473 2.147 6.286 -3.406 1.00 0.00 C ATOM 767 NE2 HIS A 473 1.863 7.164 -4.380 1.00 0.00 N ATOM 0 H HIS A 473 -1.151 5.437 -6.616 1.00 0.00 H new ATOM 0 HA HIS A 473 1.392 4.770 -7.776 1.00 0.00 H new ATOM 0 HB2 HIS A 473 -0.210 3.681 -5.429 1.00 0.00 H new ATOM 0 HB3 HIS A 473 1.424 3.181 -5.817 1.00 0.00 H new ATOM 0 HD2 HIS A 473 0.977 6.884 -6.370 1.00 0.00 H new ATOM 0 HE1 HIS A 473 2.587 6.550 -2.456 1.00 0.00 H new ATOM 0 HE2 HIS A 473 2.028 8.170 -4.346 1.00 0.00 H new ATOM 775 N SER A 474 1.146 2.282 -8.417 1.00 0.00 N ATOM 776 CA SER A 474 0.991 0.997 -9.087 1.00 0.00 C ATOM 777 C SER A 474 1.818 -0.056 -8.351 1.00 0.00 C ATOM 778 O SER A 474 2.904 0.256 -7.865 1.00 0.00 O ATOM 779 CB SER A 474 1.442 1.092 -10.544 1.00 0.00 C ATOM 780 OG SER A 474 0.629 2.015 -11.247 1.00 0.00 O ATOM 0 H SER A 474 2.114 2.505 -8.187 1.00 0.00 H new ATOM 0 HA SER A 474 -0.061 0.713 -9.074 1.00 0.00 H new ATOM 0 HB2 SER A 474 2.485 1.406 -10.590 1.00 0.00 H new ATOM 0 HB3 SER A 474 1.383 0.111 -11.016 1.00 0.00 H new ATOM 0 HG SER A 474 0.927 2.070 -12.179 1.00 0.00 H new ATOM 786 N PRO A 475 1.324 -1.296 -8.259 1.00 0.00 N ATOM 787 CA PRO A 475 1.980 -2.361 -7.521 1.00 0.00 C ATOM 788 C PRO A 475 3.195 -2.911 -8.267 1.00 0.00 C ATOM 789 O PRO A 475 3.206 -2.986 -9.496 1.00 0.00 O ATOM 790 CB PRO A 475 0.907 -3.434 -7.345 1.00 0.00 C ATOM 791 CG PRO A 475 0.061 -3.271 -8.608 1.00 0.00 C ATOM 792 CD PRO A 475 0.075 -1.761 -8.836 1.00 0.00 C ATOM 0 HA PRO A 475 2.369 -2.005 -6.567 1.00 0.00 H new ATOM 0 HB2 PRO A 475 1.340 -4.432 -7.273 1.00 0.00 H new ATOM 0 HB3 PRO A 475 0.320 -3.275 -6.441 1.00 0.00 H new ATOM 0 HG2 PRO A 475 0.488 -3.811 -9.453 1.00 0.00 H new ATOM 0 HG3 PRO A 475 -0.952 -3.649 -8.467 1.00 0.00 H new ATOM 0 HD2 PRO A 475 0.020 -1.523 -9.898 1.00 0.00 H new ATOM 0 HD3 PRO A 475 -0.780 -1.283 -8.358 1.00 0.00 H new ATOM 800 N LEU A 476 4.215 -3.301 -7.500 1.00 0.00 N ATOM 801 CA LEU A 476 5.405 -3.976 -7.993 1.00 0.00 C ATOM 802 C LEU A 476 5.490 -5.350 -7.329 1.00 0.00 C ATOM 803 O LEU A 476 4.802 -5.609 -6.342 1.00 0.00 O ATOM 804 CB LEU A 476 6.669 -3.161 -7.682 1.00 0.00 C ATOM 805 CG LEU A 476 6.922 -1.926 -8.560 1.00 0.00 C ATOM 806 CD1 LEU A 476 6.933 -2.288 -10.046 1.00 0.00 C ATOM 807 CD2 LEU A 476 5.900 -0.818 -8.318 1.00 0.00 C ATOM 0 H LEU A 476 4.231 -3.149 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 476 5.338 -4.082 -9.076 1.00 0.00 H new ATOM 0 HB2 LEU A 476 6.618 -2.836 -6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 476 7.531 -3.823 -7.767 1.00 0.00 H new ATOM 0 HG LEU A 476 7.905 -1.552 -8.273 1.00 0.00 H new ATOM 0 HD11 LEU A 476 7.115 -1.391 -10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 476 7.722 -3.015 -10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 476 5.970 -2.717 -10.323 1.00 0.00 H new ATOM 0 HD21 LEU A 476 6.124 0.031 -8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 476 4.900 -1.190 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 476 5.945 -0.503 -7.275 1.00 0.00 H new ATOM 819 N MET A 477 6.335 -6.225 -7.871 1.00 0.00 N ATOM 820 CA MET A 477 6.513 -7.572 -7.354 1.00 0.00 C ATOM 821 C MET A 477 7.953 -8.036 -7.541 1.00 0.00 C ATOM 822 O MET A 477 8.698 -7.472 -8.345 1.00 0.00 O ATOM 823 CB MET A 477 5.529 -8.536 -8.024 1.00 0.00 C ATOM 824 CG MET A 477 5.795 -8.738 -9.520 1.00 0.00 C ATOM 825 SD MET A 477 5.572 -7.280 -10.578 1.00 0.00 S ATOM 826 CE MET A 477 3.803 -6.981 -10.323 1.00 0.00 C ATOM 0 H MET A 477 6.915 -6.015 -8.683 1.00 0.00 H new ATOM 0 HA MET A 477 6.303 -7.564 -6.284 1.00 0.00 H new ATOM 0 HB2 MET A 477 5.578 -9.501 -7.521 1.00 0.00 H new ATOM 0 HB3 MET A 477 4.515 -8.159 -7.891 1.00 0.00 H new ATOM 0 HG2 MET A 477 6.818 -9.096 -9.641 1.00 0.00 H new ATOM 0 HG3 MET A 477 5.136 -9.528 -9.882 1.00 0.00 H new ATOM 0 HE1 MET A 477 3.435 -6.299 -11.089 1.00 0.00 H new ATOM 0 HE2 MET A 477 3.261 -7.925 -10.387 1.00 0.00 H new ATOM 0 HE3 MET A 477 3.647 -6.540 -9.339 1.00 0.00 H new ATOM 836 N ARG A 478 8.343 -9.073 -6.794 1.00 0.00 N ATOM 837 CA ARG A 478 9.683 -9.642 -6.843 1.00 0.00 C ATOM 838 C ARG A 478 9.608 -11.135 -6.531 1.00 0.00 C ATOM 839 O ARG A 478 8.666 -11.588 -5.878 1.00 0.00 O ATOM 840 CB ARG A 478 10.567 -8.916 -5.822 1.00 0.00 C ATOM 841 CG ARG A 478 12.039 -9.315 -5.955 1.00 0.00 C ATOM 842 CD ARG A 478 12.867 -8.645 -4.863 1.00 0.00 C ATOM 843 NE ARG A 478 14.280 -9.022 -4.964 1.00 0.00 N ATOM 844 CZ ARG A 478 14.779 -10.200 -4.570 1.00 0.00 C ATOM 845 NH1 ARG A 478 13.994 -11.135 -4.043 1.00 0.00 N ATOM 846 NH2 ARG A 478 16.081 -10.444 -4.704 1.00 0.00 N ATOM 0 H ARG A 478 7.726 -9.543 -6.132 1.00 0.00 H new ATOM 0 HA ARG A 478 10.114 -9.517 -7.836 1.00 0.00 H new ATOM 0 HB2 ARG A 478 10.469 -7.839 -5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 478 10.219 -9.143 -4.814 1.00 0.00 H new ATOM 0 HG2 ARG A 478 12.138 -10.398 -5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 478 12.415 -9.025 -6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 478 12.770 -7.562 -4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 478 12.481 -8.929 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 478 14.927 -8.341 -5.361 1.00 0.00 H new ATOM 0 HH11 ARG A 478 12.995 -10.960 -3.934 1.00 0.00 H new ATOM 0 HH12 ARG A 478 14.391 -12.027 -3.748 1.00 0.00 H new ATOM 0 HH21 ARG A 478 16.694 -9.735 -5.106 1.00 0.00 H new ATOM 0 HH22 ARG A 478 16.465 -11.340 -4.405 1.00 0.00 H new ATOM 860 N ASN A 479 10.597 -11.905 -6.992 1.00 0.00 N ATOM 861 CA ASN A 479 10.692 -13.320 -6.686 1.00 0.00 C ATOM 862 C ASN A 479 10.934 -13.495 -5.186 1.00 0.00 C ATOM 863 O ASN A 479 11.498 -12.610 -4.540 1.00 0.00 O ATOM 864 CB ASN A 479 11.818 -13.926 -7.534 1.00 0.00 C ATOM 865 CG ASN A 479 11.876 -15.446 -7.472 1.00 0.00 C ATOM 866 OD1 ASN A 479 11.024 -16.096 -6.879 1.00 0.00 O ATOM 867 ND2 ASN A 479 12.895 -16.028 -8.096 1.00 0.00 N ATOM 0 H ASN A 479 11.350 -11.558 -7.587 1.00 0.00 H new ATOM 0 HA ASN A 479 9.766 -13.842 -6.929 1.00 0.00 H new ATOM 0 HB2 ASN A 479 11.687 -13.618 -8.571 1.00 0.00 H new ATOM 0 HB3 ASN A 479 12.773 -13.520 -7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 479 12.984 -17.044 -8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 479 13.588 -15.459 -8.581 1.00 0.00 H new ATOM 874 N GLN A 480 10.510 -14.632 -4.625 1.00 0.00 N ATOM 875 CA GLN A 480 10.626 -14.904 -3.200 1.00 0.00 C ATOM 876 C GLN A 480 11.476 -16.147 -2.936 1.00 0.00 C ATOM 877 O GLN A 480 11.640 -16.547 -1.785 1.00 0.00 O ATOM 878 CB GLN A 480 9.224 -15.047 -2.593 1.00 0.00 C ATOM 879 CG GLN A 480 8.419 -13.754 -2.755 1.00 0.00 C ATOM 880 CD GLN A 480 7.014 -13.880 -2.176 1.00 0.00 C ATOM 881 OE1 GLN A 480 6.611 -14.944 -1.713 1.00 0.00 O ATOM 882 NE2 GLN A 480 6.249 -12.793 -2.196 1.00 0.00 N ATOM 0 H GLN A 480 10.076 -15.389 -5.154 1.00 0.00 H new ATOM 0 HA GLN A 480 11.135 -14.067 -2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 480 8.697 -15.870 -3.076 1.00 0.00 H new ATOM 0 HB3 GLN A 480 9.306 -15.298 -1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 480 8.943 -12.936 -2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 480 8.354 -13.497 -3.812 1.00 0.00 H new ATOM 0 HE21 GLN A 480 6.610 -11.923 -2.587 1.00 0.00 H new ATOM 0 HE22 GLN A 480 5.301 -12.829 -1.821 1.00 0.00 H new ATOM 891 N LYS A 481 12.014 -16.761 -3.997 1.00 0.00 N ATOM 892 CA LYS A 481 12.854 -17.948 -3.879 1.00 0.00 C ATOM 893 C LYS A 481 14.317 -17.575 -3.645 1.00 0.00 C ATOM 894 O LYS A 481 15.147 -18.456 -3.413 1.00 0.00 O ATOM 895 CB LYS A 481 12.703 -18.807 -5.136 1.00 0.00 C ATOM 896 CG LYS A 481 11.249 -19.253 -5.316 1.00 0.00 C ATOM 897 CD LYS A 481 11.132 -20.124 -6.567 1.00 0.00 C ATOM 898 CE LYS A 481 9.693 -20.596 -6.768 1.00 0.00 C ATOM 899 NZ LYS A 481 8.787 -19.463 -7.037 1.00 0.00 N ATOM 0 H LYS A 481 11.877 -16.446 -4.957 1.00 0.00 H new ATOM 0 HA LYS A 481 12.527 -18.522 -3.012 1.00 0.00 H new ATOM 0 HB2 LYS A 481 13.026 -18.241 -6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 481 13.350 -19.681 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 481 10.918 -19.811 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 481 10.599 -18.382 -5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 481 11.460 -19.560 -7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 481 11.793 -20.986 -6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 481 9.652 -21.301 -7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 481 9.356 -21.130 -5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 7.875 -19.823 -7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 8.636 -18.923 -6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 9.210 -18.843 -7.757 1.00 0.00 H new ATOM 913 N ASN A 482 14.645 -16.280 -3.703 1.00 0.00 N ATOM 914 CA ASN A 482 16.004 -15.800 -3.495 1.00 0.00 C ATOM 915 C ASN A 482 15.974 -14.382 -2.928 1.00 0.00 C ATOM 916 O ASN A 482 15.025 -13.634 -3.165 1.00 0.00 O ATOM 917 CB ASN A 482 16.756 -15.839 -4.828 1.00 0.00 C ATOM 918 CG ASN A 482 18.245 -15.551 -4.660 1.00 0.00 C ATOM 919 OD1 ASN A 482 18.781 -15.599 -3.557 1.00 0.00 O ATOM 920 ND2 ASN A 482 18.927 -15.248 -5.758 1.00 0.00 N ATOM 0 H ASN A 482 13.971 -15.539 -3.896 1.00 0.00 H new ATOM 0 HA ASN A 482 16.519 -16.440 -2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 482 16.627 -16.819 -5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 482 16.321 -15.108 -5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 482 19.925 -15.047 -5.699 1.00 0.00 H new ATOM 0 HD22 ASN A 482 18.453 -15.216 -6.660 1.00 0.00 H new ATOM 927 N ARG A 483 17.020 -14.013 -2.180 1.00 0.00 N ATOM 928 CA ARG A 483 17.134 -12.701 -1.550 1.00 0.00 C ATOM 929 C ARG A 483 18.587 -12.220 -1.508 1.00 0.00 C ATOM 930 O ARG A 483 18.890 -11.237 -0.833 1.00 0.00 O ATOM 931 CB ARG A 483 16.528 -12.754 -0.143 1.00 0.00 C ATOM 932 CG ARG A 483 17.293 -13.726 0.762 1.00 0.00 C ATOM 933 CD ARG A 483 16.633 -13.798 2.139 1.00 0.00 C ATOM 934 NE ARG A 483 16.718 -12.518 2.849 1.00 0.00 N ATOM 935 CZ ARG A 483 15.930 -12.168 3.869 1.00 0.00 C ATOM 936 NH1 ARG A 483 14.984 -12.993 4.317 1.00 0.00 N ATOM 937 NH2 ARG A 483 16.081 -10.987 4.455 1.00 0.00 N ATOM 0 H ARG A 483 17.815 -14.624 -1.996 1.00 0.00 H new ATOM 0 HA ARG A 483 16.579 -11.979 -2.149 1.00 0.00 H new ATOM 0 HB2 ARG A 483 16.542 -11.757 0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 483 15.484 -13.060 -0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 483 17.313 -14.717 0.308 1.00 0.00 H new ATOM 0 HG3 ARG A 483 18.328 -13.401 0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 483 15.587 -14.083 2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 483 17.113 -14.576 2.733 1.00 0.00 H new ATOM 0 HE ARG A 483 17.426 -11.850 2.544 1.00 0.00 H new ATOM 0 HH11 ARG A 483 14.854 -13.905 3.880 1.00 0.00 H new ATOM 0 HH12 ARG A 483 14.390 -12.712 5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 483 16.801 -10.343 4.127 1.00 0.00 H new ATOM 0 HH22 ARG A 483 15.477 -10.723 5.234 1.00 0.00 H new ATOM 951 N ASP A 484 19.486 -12.904 -2.220 1.00 0.00 N ATOM 952 CA ASP A 484 20.901 -12.569 -2.232 1.00 0.00 C ATOM 953 C ASP A 484 21.509 -12.815 -3.616 1.00 0.00 C ATOM 954 O ASP A 484 20.939 -13.542 -4.430 1.00 0.00 O ATOM 955 CB ASP A 484 21.613 -13.395 -1.156 1.00 0.00 C ATOM 956 CG ASP A 484 23.083 -13.008 -1.011 1.00 0.00 C ATOM 957 OD1 ASP A 484 23.377 -11.795 -1.100 1.00 0.00 O ATOM 958 OD2 ASP A 484 23.904 -13.931 -0.810 1.00 0.00 O ATOM 0 H ASP A 484 19.247 -13.706 -2.803 1.00 0.00 H new ATOM 0 HA ASP A 484 21.028 -11.509 -2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 484 21.107 -13.257 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 484 21.541 -14.454 -1.406 1.00 0.00 H new ATOM 963 N SER A 485 22.667 -12.206 -3.889 1.00 0.00 N ATOM 964 CA SER A 485 23.346 -12.333 -5.172 1.00 0.00 C ATOM 965 C SER A 485 23.939 -13.731 -5.348 1.00 0.00 C ATOM 966 O SER A 485 24.172 -14.443 -4.368 1.00 0.00 O ATOM 967 CB SER A 485 24.442 -11.276 -5.284 1.00 0.00 C ATOM 968 OG SER A 485 23.890 -9.983 -5.137 1.00 0.00 O ATOM 0 H SER A 485 23.157 -11.611 -3.221 1.00 0.00 H new ATOM 0 HA SER A 485 22.614 -12.178 -5.964 1.00 0.00 H new ATOM 0 HB2 SER A 485 25.200 -11.445 -4.519 1.00 0.00 H new ATOM 0 HB3 SER A 485 24.940 -11.359 -6.250 1.00 0.00 H new ATOM 0 HG SER A 485 24.602 -9.313 -5.209 1.00 0.00 H new ATOM 974 N SER A 486 24.183 -14.116 -6.603 1.00 0.00 N ATOM 975 CA SER A 486 24.742 -15.420 -6.948 1.00 0.00 C ATOM 976 C SER A 486 25.595 -15.313 -8.207 1.00 0.00 C ATOM 977 O SER A 486 26.774 -15.727 -8.142 1.00 0.00 O ATOM 978 CB SER A 486 23.604 -16.423 -7.144 1.00 0.00 C ATOM 979 OG SER A 486 24.137 -17.711 -7.377 1.00 0.00 O ATOM 980 OXT SER A 486 25.060 -14.816 -9.225 1.00 0.00 O ATOM 0 H SER A 486 23.996 -13.525 -7.413 1.00 0.00 H new ATOM 0 HA SER A 486 25.383 -15.767 -6.137 1.00 0.00 H new ATOM 0 HB2 SER A 486 22.964 -16.438 -6.262 1.00 0.00 H new ATOM 0 HB3 SER A 486 22.980 -16.120 -7.985 1.00 0.00 H new ATOM 0 HG SER A 486 23.405 -18.351 -7.500 1.00 0.00 H new TER 986 SER A 486 HETATM 987 ZN ZN A 501 0.583 -5.384 5.132 1.00 0.00 ZN HETATM 988 ZN ZN A 502 2.574 3.514 -2.709 1.00 0.00 ZN