USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=12 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 -90:sc= 0.457 USER MOD Single : A 436 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.31) USER MOD Single : A 439 SER OG : rot 180:sc= 0 USER MOD Single : A 440 SER OG : rot -34:sc= 0.133 USER MOD Single : A 441 GLN : amide:sc= -0.129 K(o=-0.13,f=-3.8!) USER MOD Single : A 450 GLN : amide:sc= 0 K(o=0,f=-0.8) 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= -0.097 X(o=-0.097,f=-0.052) USER MOD Single : A 466 SER OG : rot 116:sc= 0.92 USER MOD Single : A 467 MET CE :methyl 165:sc= -0.0364 (180deg=-0.358) USER MOD Single : A 472 HIS : no HD1:sc= -0.35 X(o=-0.35,f=0.041) USER MOD Single : A 474 SER OG : rot 180:sc= 0 USER MOD Single : A 477 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 479 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.4) USER MOD Single : A 480 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 481 LYS NZ :NH3+ -154:sc= 1.23 (180deg=1.13) USER MOD Single : A 482 ASN : amide:sc= -0.185 K(o=-0.19,f=-1.6) 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 24.950 -8.465 18.887 1.00 0.00 N ATOM 2 CA ILE A 426 23.964 -8.401 17.789 1.00 0.00 C ATOM 3 C ILE A 426 23.231 -7.066 17.800 1.00 0.00 C ATOM 4 O ILE A 426 23.247 -6.355 18.802 1.00 0.00 O ATOM 5 CB ILE A 426 22.970 -9.571 17.847 1.00 0.00 C ATOM 6 CG1 ILE A 426 22.188 -9.555 19.165 1.00 0.00 C ATOM 7 CG2 ILE A 426 23.729 -10.892 17.669 1.00 0.00 C ATOM 8 CD1 ILE A 426 21.127 -10.661 19.205 1.00 0.00 C ATOM 0 HA ILE A 426 24.512 -8.486 16.851 1.00 0.00 H new ATOM 0 HB ILE A 426 22.247 -9.469 17.038 1.00 0.00 H new ATOM 0 HG12 ILE A 426 22.878 -9.681 20.000 1.00 0.00 H new ATOM 0 HG13 ILE A 426 21.708 -8.585 19.292 1.00 0.00 H new ATOM 0 HG21 ILE A 426 23.026 -11.724 17.710 1.00 0.00 H new ATOM 0 HG22 ILE A 426 24.237 -10.893 16.704 1.00 0.00 H new ATOM 0 HG23 ILE A 426 24.465 -10.999 18.466 1.00 0.00 H new ATOM 0 HD11 ILE A 426 20.593 -10.619 20.154 1.00 0.00 H new ATOM 0 HD12 ILE A 426 20.422 -10.519 18.385 1.00 0.00 H new ATOM 0 HD13 ILE A 426 21.610 -11.633 19.104 1.00 0.00 H new ATOM 22 N ASP A 427 22.584 -6.728 16.684 1.00 0.00 N ATOM 23 CA ASP A 427 21.838 -5.486 16.545 1.00 0.00 C ATOM 24 C ASP A 427 20.618 -5.718 15.640 1.00 0.00 C ATOM 25 O ASP A 427 20.755 -6.371 14.601 1.00 0.00 O ATOM 26 CB ASP A 427 22.771 -4.421 15.960 1.00 0.00 C ATOM 27 CG ASP A 427 22.148 -3.025 15.972 1.00 0.00 C ATOM 28 OD1 ASP A 427 22.050 -2.447 17.079 1.00 0.00 O ATOM 29 OD2 ASP A 427 21.778 -2.545 14.881 1.00 0.00 O ATOM 0 H ASP A 427 22.565 -7.314 15.849 1.00 0.00 H new ATOM 0 HA ASP A 427 21.475 -5.144 17.514 1.00 0.00 H new ATOM 0 HB2 ASP A 427 23.701 -4.405 16.529 1.00 0.00 H new ATOM 0 HB3 ASP A 427 23.029 -4.691 14.936 1.00 0.00 H new ATOM 34 N PRO A 428 19.437 -5.208 16.007 1.00 0.00 N ATOM 35 CA PRO A 428 18.213 -5.391 15.246 1.00 0.00 C ATOM 36 C PRO A 428 18.235 -4.595 13.943 1.00 0.00 C ATOM 37 O PRO A 428 19.008 -3.649 13.791 1.00 0.00 O ATOM 38 CB PRO A 428 17.090 -4.916 16.168 1.00 0.00 C ATOM 39 CG PRO A 428 17.780 -3.846 17.015 1.00 0.00 C ATOM 40 CD PRO A 428 19.178 -4.418 17.197 1.00 0.00 C ATOM 0 HA PRO A 428 18.080 -6.431 14.949 1.00 0.00 H new ATOM 0 HB2 PRO A 428 16.250 -4.508 15.606 1.00 0.00 H new ATOM 0 HB3 PRO A 428 16.699 -5.728 16.781 1.00 0.00 H new ATOM 0 HG2 PRO A 428 17.800 -2.880 16.511 1.00 0.00 H new ATOM 0 HG3 PRO A 428 17.275 -3.697 17.970 1.00 0.00 H new ATOM 0 HD2 PRO A 428 19.915 -3.623 17.307 1.00 0.00 H new ATOM 0 HD3 PRO A 428 19.236 -5.033 18.095 1.00 0.00 H new ATOM 48 N TYR A 429 17.374 -4.987 13.003 1.00 0.00 N ATOM 49 CA TYR A 429 17.275 -4.348 11.695 1.00 0.00 C ATOM 50 C TYR A 429 15.839 -4.385 11.177 1.00 0.00 C ATOM 51 O TYR A 429 15.022 -5.182 11.648 1.00 0.00 O ATOM 52 CB TYR A 429 18.224 -5.049 10.717 1.00 0.00 C ATOM 53 CG TYR A 429 17.983 -6.535 10.578 1.00 0.00 C ATOM 54 CD1 TYR A 429 17.079 -7.018 9.621 1.00 0.00 C ATOM 55 CD2 TYR A 429 18.664 -7.436 11.413 1.00 0.00 C ATOM 56 CE1 TYR A 429 16.856 -8.399 9.490 1.00 0.00 C ATOM 57 CE2 TYR A 429 18.445 -8.816 11.293 1.00 0.00 C ATOM 58 CZ TYR A 429 17.539 -9.303 10.330 1.00 0.00 C ATOM 59 OH TYR A 429 17.323 -10.647 10.203 1.00 0.00 O ATOM 0 H TYR A 429 16.723 -5.762 13.131 1.00 0.00 H new ATOM 0 HA TYR A 429 17.563 -3.301 11.787 1.00 0.00 H new ATOM 0 HB2 TYR A 429 18.126 -4.583 9.736 1.00 0.00 H new ATOM 0 HB3 TYR A 429 19.251 -4.888 11.046 1.00 0.00 H new ATOM 0 HD1 TYR A 429 16.552 -6.325 8.982 1.00 0.00 H new ATOM 0 HD2 TYR A 429 19.360 -7.064 12.151 1.00 0.00 H new ATOM 0 HE1 TYR A 429 16.163 -8.767 8.748 1.00 0.00 H new ATOM 0 HE2 TYR A 429 18.970 -9.505 11.938 1.00 0.00 H new ATOM 0 HH TYR A 429 17.872 -11.130 10.856 1.00 0.00 H new ATOM 69 N LEU A 430 15.528 -3.516 10.210 1.00 0.00 N ATOM 70 CA LEU A 430 14.198 -3.396 9.624 1.00 0.00 C ATOM 71 C LEU A 430 14.249 -3.478 8.099 1.00 0.00 C ATOM 72 O LEU A 430 13.268 -3.163 7.429 1.00 0.00 O ATOM 73 CB LEU A 430 13.554 -2.082 10.079 1.00 0.00 C ATOM 74 CG LEU A 430 13.345 -2.005 11.593 1.00 0.00 C ATOM 75 CD1 LEU A 430 12.811 -0.619 11.952 1.00 0.00 C ATOM 76 CD2 LEU A 430 12.340 -3.056 12.069 1.00 0.00 C ATOM 0 H LEU A 430 16.207 -2.868 9.809 1.00 0.00 H new ATOM 0 HA LEU A 430 13.590 -4.232 9.971 1.00 0.00 H new ATOM 0 HB2 LEU A 430 14.182 -1.249 9.763 1.00 0.00 H new ATOM 0 HB3 LEU A 430 12.592 -1.964 9.580 1.00 0.00 H new ATOM 0 HG LEU A 430 14.302 -2.192 12.081 1.00 0.00 H new ATOM 0 HD11 LEU A 430 12.659 -0.555 13.029 1.00 0.00 H new ATOM 0 HD12 LEU A 430 13.530 0.139 11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 430 11.863 -0.451 11.441 1.00 0.00 H new ATOM 0 HD21 LEU A 430 12.213 -2.976 13.149 1.00 0.00 H new ATOM 0 HD22 LEU A 430 11.381 -2.891 11.578 1.00 0.00 H new ATOM 0 HD23 LEU A 430 12.709 -4.051 11.820 1.00 0.00 H new ATOM 88 N GLU A 431 15.389 -3.901 7.542 1.00 0.00 N ATOM 89 CA GLU A 431 15.581 -4.016 6.102 1.00 0.00 C ATOM 90 C GLU A 431 14.999 -5.321 5.544 1.00 0.00 C ATOM 91 O GLU A 431 15.218 -5.644 4.377 1.00 0.00 O ATOM 92 CB GLU A 431 17.066 -3.859 5.763 1.00 0.00 C ATOM 93 CG GLU A 431 17.903 -4.975 6.387 1.00 0.00 C ATOM 94 CD GLU A 431 19.381 -4.815 6.025 1.00 0.00 C ATOM 95 OE1 GLU A 431 20.075 -4.067 6.747 1.00 0.00 O ATOM 96 OE2 GLU A 431 19.806 -5.439 5.026 1.00 0.00 O ATOM 0 H GLU A 431 16.207 -4.174 8.087 1.00 0.00 H new ATOM 0 HA GLU A 431 15.029 -3.211 5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 431 17.196 -3.867 4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 431 17.422 -2.893 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 431 17.786 -4.961 7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 431 17.542 -5.943 6.040 1.00 0.00 H new ATOM 103 N ASP A 432 14.267 -6.077 6.367 1.00 0.00 N ATOM 104 CA ASP A 432 13.659 -7.331 5.955 1.00 0.00 C ATOM 105 C ASP A 432 12.475 -7.078 5.012 1.00 0.00 C ATOM 106 O ASP A 432 11.940 -5.973 4.960 1.00 0.00 O ATOM 107 CB ASP A 432 13.230 -8.107 7.199 1.00 0.00 C ATOM 108 CG ASP A 432 12.827 -9.535 6.849 1.00 0.00 C ATOM 109 OD1 ASP A 432 13.737 -10.386 6.762 1.00 0.00 O ATOM 110 OD2 ASP A 432 11.612 -9.765 6.667 1.00 0.00 O ATOM 0 H ASP A 432 14.083 -5.830 7.339 1.00 0.00 H new ATOM 0 HA ASP A 432 14.385 -7.926 5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 432 14.048 -8.124 7.920 1.00 0.00 H new ATOM 0 HB3 ASP A 432 12.394 -7.598 7.678 1.00 0.00 H new ATOM 115 N SER A 433 12.065 -8.106 4.264 1.00 0.00 N ATOM 116 CA SER A 433 10.994 -7.980 3.282 1.00 0.00 C ATOM 117 C SER A 433 9.605 -7.996 3.917 1.00 0.00 C ATOM 118 O SER A 433 8.615 -7.755 3.228 1.00 0.00 O ATOM 119 CB SER A 433 11.109 -9.110 2.257 1.00 0.00 C ATOM 120 OG SER A 433 12.330 -9.012 1.548 1.00 0.00 O ATOM 0 H SER A 433 12.466 -9.042 4.324 1.00 0.00 H new ATOM 0 HA SER A 433 11.110 -7.011 2.796 1.00 0.00 H new ATOM 0 HB2 SER A 433 11.051 -10.074 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 433 10.272 -9.064 1.560 1.00 0.00 H new ATOM 0 HG SER A 433 12.201 -8.458 0.750 1.00 0.00 H new ATOM 126 N LEU A 434 9.505 -8.277 5.222 1.00 0.00 N ATOM 127 CA LEU A 434 8.229 -8.309 5.916 1.00 0.00 C ATOM 128 C LEU A 434 7.443 -7.018 5.700 1.00 0.00 C ATOM 129 O LEU A 434 8.026 -5.941 5.578 1.00 0.00 O ATOM 130 CB LEU A 434 8.468 -8.528 7.413 1.00 0.00 C ATOM 131 CG LEU A 434 7.704 -9.744 7.935 1.00 0.00 C ATOM 132 CD1 LEU A 434 8.149 -11.048 7.274 1.00 0.00 C ATOM 133 CD2 LEU A 434 7.947 -9.878 9.441 1.00 0.00 C ATOM 0 H LEU A 434 10.307 -8.486 5.817 1.00 0.00 H new ATOM 0 HA LEU A 434 7.640 -9.131 5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 434 9.534 -8.662 7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 434 8.159 -7.640 7.965 1.00 0.00 H new ATOM 0 HG LEU A 434 6.651 -9.583 7.703 1.00 0.00 H new ATOM 0 HD11 LEU A 434 7.573 -11.878 7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 434 7.983 -10.986 6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 434 9.209 -11.211 7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 434 7.405 -10.744 9.821 1.00 0.00 H new ATOM 0 HD22 LEU A 434 9.013 -10.007 9.627 1.00 0.00 H new ATOM 0 HD23 LEU A 434 7.596 -8.979 9.948 1.00 0.00 H new ATOM 145 N CYS A 435 6.115 -7.131 5.660 1.00 0.00 N ATOM 146 CA CYS A 435 5.240 -5.979 5.551 1.00 0.00 C ATOM 147 C CYS A 435 5.538 -5.028 6.712 1.00 0.00 C ATOM 148 O CYS A 435 5.661 -5.460 7.860 1.00 0.00 O ATOM 149 CB CYS A 435 3.788 -6.467 5.566 1.00 0.00 C ATOM 150 SG CYS A 435 2.658 -5.055 5.609 1.00 0.00 S ATOM 0 H CYS A 435 5.624 -8.024 5.703 1.00 0.00 H new ATOM 0 HA CYS A 435 5.405 -5.437 4.620 1.00 0.00 H new ATOM 0 HB2 CYS A 435 3.591 -7.074 4.682 1.00 0.00 H new ATOM 0 HB3 CYS A 435 3.619 -7.104 6.434 1.00 0.00 H new ATOM 155 N HIS A 436 5.659 -3.729 6.422 1.00 0.00 N ATOM 156 CA HIS A 436 6.043 -2.741 7.424 1.00 0.00 C ATOM 157 C HIS A 436 4.844 -2.280 8.256 1.00 0.00 C ATOM 158 O HIS A 436 4.999 -1.428 9.128 1.00 0.00 O ATOM 159 CB HIS A 436 6.760 -1.574 6.745 1.00 0.00 C ATOM 160 CG HIS A 436 8.118 -1.966 6.218 1.00 0.00 C ATOM 161 ND1 HIS A 436 9.338 -1.613 6.806 1.00 0.00 N ATOM 162 CD2 HIS A 436 8.357 -2.725 5.112 1.00 0.00 C ATOM 163 CE1 HIS A 436 10.282 -2.181 6.037 1.00 0.00 C ATOM 164 NE2 HIS A 436 9.723 -2.854 5.016 1.00 0.00 N ATOM 0 H HIS A 436 5.494 -3.339 5.494 1.00 0.00 H new ATOM 0 HA HIS A 436 6.735 -3.205 8.127 1.00 0.00 H new ATOM 0 HB2 HIS A 436 6.147 -1.202 5.924 1.00 0.00 H new ATOM 0 HB3 HIS A 436 6.871 -0.755 7.456 1.00 0.00 H new ATOM 0 HD2 HIS A 436 7.619 -3.143 4.443 1.00 0.00 H new ATOM 0 HE1 HIS A 436 11.345 -2.107 6.215 1.00 0.00 H new ATOM 0 HE2 HIS A 436 10.225 -3.371 4.295 1.00 0.00 H new ATOM 172 N ILE A 437 3.658 -2.836 7.995 1.00 0.00 N ATOM 173 CA ILE A 437 2.447 -2.496 8.734 1.00 0.00 C ATOM 174 C ILE A 437 1.811 -3.757 9.316 1.00 0.00 C ATOM 175 O ILE A 437 1.086 -3.682 10.309 1.00 0.00 O ATOM 176 CB ILE A 437 1.458 -1.803 7.783 1.00 0.00 C ATOM 177 CG1 ILE A 437 2.071 -0.587 7.077 1.00 0.00 C ATOM 178 CG2 ILE A 437 0.198 -1.381 8.537 1.00 0.00 C ATOM 179 CD1 ILE A 437 2.424 0.558 8.032 1.00 0.00 C ATOM 0 H ILE A 437 3.514 -3.534 7.265 1.00 0.00 H new ATOM 0 HA ILE A 437 2.700 -1.825 9.555 1.00 0.00 H new ATOM 0 HB ILE A 437 1.201 -2.532 7.014 1.00 0.00 H new ATOM 0 HG12 ILE A 437 2.971 -0.899 6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 437 1.371 -0.221 6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 437 -0.491 -0.892 7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 437 -0.281 -2.261 8.966 1.00 0.00 H new ATOM 0 HG23 ILE A 437 0.466 -0.688 9.335 1.00 0.00 H new ATOM 0 HD11 ILE A 437 2.853 1.385 7.466 1.00 0.00 H new ATOM 0 HD12 ILE A 437 1.523 0.897 8.543 1.00 0.00 H new ATOM 0 HD13 ILE A 437 3.148 0.208 8.768 1.00 0.00 H new ATOM 191 N CYS A 438 2.078 -4.916 8.707 1.00 0.00 N ATOM 192 CA CYS A 438 1.429 -6.163 9.084 1.00 0.00 C ATOM 193 C CYS A 438 2.432 -7.185 9.620 1.00 0.00 C ATOM 194 O CYS A 438 2.063 -8.031 10.429 1.00 0.00 O ATOM 195 CB CYS A 438 0.695 -6.710 7.857 1.00 0.00 C ATOM 196 SG CYS A 438 -0.267 -5.382 7.074 1.00 0.00 S ATOM 0 H CYS A 438 2.747 -5.010 7.943 1.00 0.00 H new ATOM 0 HA CYS A 438 0.722 -5.971 9.891 1.00 0.00 H new ATOM 0 HB2 CYS A 438 1.412 -7.120 7.146 1.00 0.00 H new ATOM 0 HB3 CYS A 438 0.034 -7.526 8.151 1.00 0.00 H new ATOM 201 N SER A 439 3.692 -7.099 9.167 1.00 0.00 N ATOM 202 CA SER A 439 4.798 -7.963 9.578 1.00 0.00 C ATOM 203 C SER A 439 4.395 -9.422 9.814 1.00 0.00 C ATOM 204 O SER A 439 4.829 -10.045 10.783 1.00 0.00 O ATOM 205 CB SER A 439 5.557 -7.358 10.767 1.00 0.00 C ATOM 206 OG SER A 439 4.673 -6.929 11.782 1.00 0.00 O ATOM 0 H SER A 439 3.974 -6.400 8.480 1.00 0.00 H new ATOM 0 HA SER A 439 5.484 -8.006 8.732 1.00 0.00 H new ATOM 0 HB2 SER A 439 6.248 -8.097 11.173 1.00 0.00 H new ATOM 0 HB3 SER A 439 6.157 -6.515 10.426 1.00 0.00 H new ATOM 0 HG SER A 439 5.187 -6.550 12.525 1.00 0.00 H new ATOM 212 N SER A 440 3.563 -9.971 8.924 1.00 0.00 N ATOM 213 CA SER A 440 3.108 -11.354 9.024 1.00 0.00 C ATOM 214 C SER A 440 3.434 -12.133 7.752 1.00 0.00 C ATOM 215 O SER A 440 3.301 -13.355 7.712 1.00 0.00 O ATOM 216 CB SER A 440 1.603 -11.353 9.294 1.00 0.00 C ATOM 217 OG SER A 440 1.156 -12.648 9.644 1.00 0.00 O ATOM 0 H SER A 440 3.189 -9.469 8.119 1.00 0.00 H new ATOM 0 HA SER A 440 3.627 -11.850 9.844 1.00 0.00 H new ATOM 0 HB2 SER A 440 1.374 -10.654 10.098 1.00 0.00 H new ATOM 0 HB3 SER A 440 1.070 -11.006 8.409 1.00 0.00 H new ATOM 0 HG SER A 440 1.678 -13.318 9.154 1.00 0.00 H new ATOM 223 N GLN A 441 3.863 -11.423 6.708 1.00 0.00 N ATOM 224 CA GLN A 441 4.206 -12.011 5.423 1.00 0.00 C ATOM 225 C GLN A 441 5.293 -11.172 4.744 1.00 0.00 C ATOM 226 O GLN A 441 5.424 -9.985 5.042 1.00 0.00 O ATOM 227 CB GLN A 441 2.938 -12.126 4.567 1.00 0.00 C ATOM 228 CG GLN A 441 2.236 -10.782 4.346 1.00 0.00 C ATOM 229 CD GLN A 441 0.887 -10.995 3.673 1.00 0.00 C ATOM 230 OE1 GLN A 441 0.757 -10.845 2.461 1.00 0.00 O ATOM 231 NE2 GLN A 441 -0.131 -11.349 4.453 1.00 0.00 N ATOM 0 H GLN A 441 3.982 -10.410 6.737 1.00 0.00 H new ATOM 0 HA GLN A 441 4.610 -13.015 5.557 1.00 0.00 H new ATOM 0 HB2 GLN A 441 3.198 -12.556 3.600 1.00 0.00 H new ATOM 0 HB3 GLN A 441 2.244 -12.816 5.047 1.00 0.00 H new ATOM 0 HG2 GLN A 441 2.098 -10.275 5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 441 2.860 -10.135 3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 441 0.012 -11.465 5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -1.054 -11.504 4.048 1.00 0.00 H new ATOM 240 N PRO A 442 6.076 -11.771 3.834 1.00 0.00 N ATOM 241 CA PRO A 442 7.192 -11.128 3.154 1.00 0.00 C ATOM 242 C PRO A 442 6.741 -10.085 2.124 1.00 0.00 C ATOM 243 O PRO A 442 7.562 -9.620 1.335 1.00 0.00 O ATOM 244 CB PRO A 442 7.967 -12.269 2.495 1.00 0.00 C ATOM 245 CG PRO A 442 6.871 -13.282 2.188 1.00 0.00 C ATOM 246 CD PRO A 442 5.956 -13.154 3.406 1.00 0.00 C ATOM 0 HA PRO A 442 7.805 -10.565 3.858 1.00 0.00 H new ATOM 0 HB2 PRO A 442 8.481 -11.941 1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 442 8.725 -12.681 3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 442 6.348 -13.047 1.261 1.00 0.00 H new ATOM 0 HG3 PRO A 442 7.269 -14.291 2.083 1.00 0.00 H new ATOM 0 HD2 PRO A 442 4.925 -13.398 3.150 1.00 0.00 H new ATOM 0 HD3 PRO A 442 6.259 -13.838 4.199 1.00 0.00 H new ATOM 254 N GLY A 443 5.460 -9.715 2.129 1.00 0.00 N ATOM 255 CA GLY A 443 4.909 -8.713 1.230 1.00 0.00 C ATOM 256 C GLY A 443 4.884 -9.203 -0.221 1.00 0.00 C ATOM 257 O GLY A 443 5.914 -9.191 -0.891 1.00 0.00 O ATOM 0 H GLY A 443 4.771 -10.111 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 443 3.897 -8.459 1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 443 5.502 -7.801 1.295 1.00 0.00 H new ATOM 261 N PRO A 444 3.720 -9.637 -0.721 1.00 0.00 N ATOM 262 CA PRO A 444 3.571 -10.119 -2.085 1.00 0.00 C ATOM 263 C PRO A 444 3.577 -8.965 -3.083 1.00 0.00 C ATOM 264 O PRO A 444 3.655 -9.198 -4.291 1.00 0.00 O ATOM 265 CB PRO A 444 2.226 -10.846 -2.087 1.00 0.00 C ATOM 266 CG PRO A 444 1.415 -10.062 -1.057 1.00 0.00 C ATOM 267 CD PRO A 444 2.461 -9.707 -0.003 1.00 0.00 C ATOM 0 HA PRO A 444 4.393 -10.769 -2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 444 1.757 -10.826 -3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 444 2.332 -11.894 -1.806 1.00 0.00 H new ATOM 0 HG2 PRO A 444 0.961 -9.172 -1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 444 0.606 -10.661 -0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 444 2.229 -8.756 0.477 1.00 0.00 H new ATOM 0 HD3 PRO A 444 2.498 -10.461 0.784 1.00 0.00 H new ATOM 275 N PHE A 445 3.494 -7.724 -2.593 1.00 0.00 N ATOM 276 CA PHE A 445 3.454 -6.541 -3.436 1.00 0.00 C ATOM 277 C PHE A 445 4.495 -5.501 -3.014 1.00 0.00 C ATOM 278 O PHE A 445 5.025 -5.544 -1.904 1.00 0.00 O ATOM 279 CB PHE A 445 2.049 -5.932 -3.403 1.00 0.00 C ATOM 280 CG PHE A 445 0.959 -6.865 -3.881 1.00 0.00 C ATOM 281 CD1 PHE A 445 0.967 -7.337 -5.201 1.00 0.00 C ATOM 282 CD2 PHE A 445 -0.059 -7.262 -3.000 1.00 0.00 C ATOM 283 CE1 PHE A 445 -0.038 -8.207 -5.639 1.00 0.00 C ATOM 284 CE2 PHE A 445 -1.066 -8.134 -3.440 1.00 0.00 C ATOM 285 CZ PHE A 445 -1.055 -8.608 -4.759 1.00 0.00 C ATOM 0 H PHE A 445 3.453 -7.519 -1.595 1.00 0.00 H new ATOM 0 HA PHE A 445 3.697 -6.846 -4.454 1.00 0.00 H new ATOM 0 HB2 PHE A 445 1.824 -5.620 -2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 445 2.040 -5.034 -4.020 1.00 0.00 H new ATOM 0 HD1 PHE A 445 1.749 -7.029 -5.880 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.067 -6.896 -1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -0.031 -8.570 -6.656 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -1.850 -8.440 -2.763 1.00 0.00 H new ATOM 0 HZ PHE A 445 -1.829 -9.281 -5.098 1.00 0.00 H new ATOM 295 N PHE A 446 4.778 -4.568 -3.920 1.00 0.00 N ATOM 296 CA PHE A 446 5.709 -3.471 -3.703 1.00 0.00 C ATOM 297 C PHE A 446 5.167 -2.223 -4.402 1.00 0.00 C ATOM 298 O PHE A 446 4.333 -2.332 -5.300 1.00 0.00 O ATOM 299 CB PHE A 446 7.085 -3.867 -4.247 1.00 0.00 C ATOM 300 CG PHE A 446 8.171 -2.832 -4.041 1.00 0.00 C ATOM 301 CD1 PHE A 446 8.933 -2.847 -2.865 1.00 0.00 C ATOM 302 CD2 PHE A 446 8.423 -1.864 -5.026 1.00 0.00 C ATOM 303 CE1 PHE A 446 9.948 -1.901 -2.672 1.00 0.00 C ATOM 304 CE2 PHE A 446 9.441 -0.918 -4.835 1.00 0.00 C ATOM 305 CZ PHE A 446 10.202 -0.936 -3.659 1.00 0.00 C ATOM 0 H PHE A 446 4.354 -4.557 -4.848 1.00 0.00 H new ATOM 0 HA PHE A 446 5.815 -3.254 -2.640 1.00 0.00 H new ATOM 0 HB2 PHE A 446 7.394 -4.797 -3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 446 6.994 -4.070 -5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 446 8.737 -3.590 -2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 446 7.833 -1.848 -5.931 1.00 0.00 H new ATOM 0 HE1 PHE A 446 10.534 -1.914 -1.765 1.00 0.00 H new ATOM 0 HE2 PHE A 446 9.638 -0.176 -5.594 1.00 0.00 H new ATOM 0 HZ PHE A 446 10.985 -0.207 -3.512 1.00 0.00 H new ATOM 315 N CYS A 447 5.638 -1.040 -3.992 1.00 0.00 N ATOM 316 CA CYS A 447 5.186 0.224 -4.545 1.00 0.00 C ATOM 317 C CYS A 447 6.393 1.082 -4.921 1.00 0.00 C ATOM 318 O CYS A 447 7.315 1.248 -4.123 1.00 0.00 O ATOM 319 CB CYS A 447 4.291 0.901 -3.508 1.00 0.00 C ATOM 320 SG CYS A 447 3.579 2.416 -4.198 1.00 0.00 S ATOM 0 H CYS A 447 6.346 -0.941 -3.264 1.00 0.00 H new ATOM 0 HA CYS A 447 4.608 0.074 -5.457 1.00 0.00 H new ATOM 0 HB2 CYS A 447 3.495 0.221 -3.203 1.00 0.00 H new ATOM 0 HB3 CYS A 447 4.869 1.136 -2.614 1.00 0.00 H new ATOM 325 N ARG A 448 6.385 1.624 -6.144 1.00 0.00 N ATOM 326 CA ARG A 448 7.540 2.313 -6.715 1.00 0.00 C ATOM 327 C ARG A 448 7.603 3.798 -6.360 1.00 0.00 C ATOM 328 O ARG A 448 8.562 4.469 -6.736 1.00 0.00 O ATOM 329 CB ARG A 448 7.535 2.132 -8.234 1.00 0.00 C ATOM 330 CG ARG A 448 7.609 0.649 -8.616 1.00 0.00 C ATOM 331 CD ARG A 448 7.592 0.489 -10.135 1.00 0.00 C ATOM 332 NE ARG A 448 8.776 1.094 -10.756 1.00 0.00 N ATOM 333 CZ ARG A 448 8.957 1.192 -12.076 1.00 0.00 C ATOM 334 NH1 ARG A 448 8.046 0.726 -12.927 1.00 0.00 N ATOM 335 NH2 ARG A 448 10.058 1.764 -12.557 1.00 0.00 N ATOM 0 H ARG A 448 5.575 1.595 -6.764 1.00 0.00 H new ATOM 0 HA ARG A 448 8.430 1.861 -6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 448 6.630 2.573 -8.652 1.00 0.00 H new ATOM 0 HB3 ARG A 448 8.380 2.665 -8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 448 8.518 0.207 -8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 448 6.768 0.112 -8.178 1.00 0.00 H new ATOM 0 HD2 ARG A 448 7.548 -0.570 -10.389 1.00 0.00 H new ATOM 0 HD3 ARG A 448 6.692 0.951 -10.540 1.00 0.00 H new ATOM 0 HE ARG A 448 9.504 1.462 -10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 448 7.196 0.287 -12.574 1.00 0.00 H new ATOM 0 HH12 ARG A 448 8.198 0.808 -13.932 1.00 0.00 H new ATOM 0 HH21 ARG A 448 10.765 2.128 -11.918 1.00 0.00 H new ATOM 0 HH22 ARG A 448 10.195 1.838 -13.565 1.00 0.00 H new ATOM 349 N ASP A 449 6.603 4.326 -5.651 1.00 0.00 N ATOM 350 CA ASP A 449 6.583 5.735 -5.293 1.00 0.00 C ATOM 351 C ASP A 449 7.470 6.013 -4.082 1.00 0.00 C ATOM 352 O ASP A 449 7.739 5.124 -3.276 1.00 0.00 O ATOM 353 CB ASP A 449 5.146 6.180 -5.051 1.00 0.00 C ATOM 354 CG ASP A 449 4.382 6.262 -6.371 1.00 0.00 C ATOM 355 OD1 ASP A 449 3.965 5.196 -6.872 1.00 0.00 O ATOM 356 OD2 ASP A 449 4.227 7.402 -6.869 1.00 0.00 O ATOM 0 H ASP A 449 5.799 3.794 -5.316 1.00 0.00 H new ATOM 0 HA ASP A 449 6.991 6.315 -6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 449 4.650 5.479 -4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 449 5.138 7.152 -4.558 1.00 0.00 H new ATOM 361 N GLN A 450 7.929 7.265 -3.960 1.00 0.00 N ATOM 362 CA GLN A 450 8.879 7.662 -2.929 1.00 0.00 C ATOM 363 C GLN A 450 8.251 7.751 -1.538 1.00 0.00 C ATOM 364 O GLN A 450 8.972 7.901 -0.555 1.00 0.00 O ATOM 365 CB GLN A 450 9.536 8.989 -3.323 1.00 0.00 C ATOM 366 CG GLN A 450 8.516 10.129 -3.375 1.00 0.00 C ATOM 367 CD GLN A 450 9.161 11.454 -3.776 1.00 0.00 C ATOM 368 OE1 GLN A 450 10.359 11.537 -4.036 1.00 0.00 O ATOM 369 NE2 GLN A 450 8.362 12.519 -3.829 1.00 0.00 N ATOM 0 H GLN A 450 7.648 8.027 -4.577 1.00 0.00 H new ATOM 0 HA GLN A 450 9.638 6.882 -2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 450 10.320 9.234 -2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 450 10.015 8.884 -4.297 1.00 0.00 H new ATOM 0 HG2 GLN A 450 7.728 9.879 -4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 450 8.042 10.237 -2.399 1.00 0.00 H new ATOM 0 HE21 GLN A 450 7.371 12.424 -3.609 1.00 0.00 H new ATOM 0 HE22 GLN A 450 8.742 13.429 -4.090 1.00 0.00 H new ATOM 378 N VAL A 451 6.920 7.659 -1.439 1.00 0.00 N ATOM 379 CA VAL A 451 6.238 7.664 -0.150 1.00 0.00 C ATOM 380 C VAL A 451 5.967 6.237 0.324 1.00 0.00 C ATOM 381 O VAL A 451 5.541 6.043 1.463 1.00 0.00 O ATOM 382 CB VAL A 451 4.944 8.485 -0.205 1.00 0.00 C ATOM 383 CG1 VAL A 451 5.227 9.938 -0.583 1.00 0.00 C ATOM 384 CG2 VAL A 451 3.967 7.901 -1.220 1.00 0.00 C ATOM 0 H VAL A 451 6.296 7.580 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 451 6.897 8.142 0.575 1.00 0.00 H new ATOM 0 HB VAL A 451 4.503 8.448 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 451 4.291 10.495 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 451 5.890 10.384 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 451 5.702 9.973 -1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 451 3.058 8.503 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 451 4.425 7.905 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 451 3.719 6.878 -0.939 1.00 0.00 H new ATOM 394 N CYS A 452 6.217 5.247 -0.540 1.00 0.00 N ATOM 395 CA CYS A 452 6.069 3.842 -0.197 1.00 0.00 C ATOM 396 C CYS A 452 7.447 3.186 -0.141 1.00 0.00 C ATOM 397 O CYS A 452 7.950 2.893 0.941 1.00 0.00 O ATOM 398 CB CYS A 452 5.151 3.152 -1.209 1.00 0.00 C ATOM 399 SG CYS A 452 3.538 3.974 -1.302 1.00 0.00 S ATOM 0 H CYS A 452 6.528 5.406 -1.498 1.00 0.00 H new ATOM 0 HA CYS A 452 5.607 3.744 0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 452 5.621 3.157 -2.192 1.00 0.00 H new ATOM 0 HB3 CYS A 452 5.014 2.108 -0.926 1.00 0.00 H new ATOM 404 N PHE A 453 8.052 2.963 -1.316 1.00 0.00 N ATOM 405 CA PHE A 453 9.399 2.427 -1.495 1.00 0.00 C ATOM 406 C PHE A 453 9.691 1.166 -0.670 1.00 0.00 C ATOM 407 O PHE A 453 10.852 0.868 -0.391 1.00 0.00 O ATOM 408 CB PHE A 453 10.418 3.545 -1.265 1.00 0.00 C ATOM 409 CG PHE A 453 11.821 3.225 -1.734 1.00 0.00 C ATOM 410 CD1 PHE A 453 12.059 2.976 -3.094 1.00 0.00 C ATOM 411 CD2 PHE A 453 12.879 3.178 -0.816 1.00 0.00 C ATOM 412 CE1 PHE A 453 13.358 2.681 -3.533 1.00 0.00 C ATOM 413 CE2 PHE A 453 14.175 2.883 -1.257 1.00 0.00 C ATOM 414 CZ PHE A 453 14.417 2.634 -2.617 1.00 0.00 C ATOM 0 H PHE A 453 7.591 3.162 -2.204 1.00 0.00 H new ATOM 0 HA PHE A 453 9.483 2.077 -2.524 1.00 0.00 H new ATOM 0 HB2 PHE A 453 10.074 4.443 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 453 10.449 3.777 -0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 453 11.244 3.011 -3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 453 12.695 3.369 0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 453 13.542 2.490 -4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 453 14.990 2.847 -0.549 1.00 0.00 H new ATOM 0 HZ PHE A 453 15.417 2.407 -2.956 1.00 0.00 H new ATOM 424 N LYS A 454 8.654 0.422 -0.272 1.00 0.00 N ATOM 425 CA LYS A 454 8.799 -0.762 0.566 1.00 0.00 C ATOM 426 C LYS A 454 7.811 -1.849 0.151 1.00 0.00 C ATOM 427 O LYS A 454 6.889 -1.598 -0.626 1.00 0.00 O ATOM 428 CB LYS A 454 8.569 -0.387 2.035 1.00 0.00 C ATOM 429 CG LYS A 454 9.684 0.509 2.573 1.00 0.00 C ATOM 430 CD LYS A 454 9.376 0.902 4.016 1.00 0.00 C ATOM 431 CE LYS A 454 10.512 1.745 4.583 1.00 0.00 C ATOM 432 NZ LYS A 454 10.253 2.099 5.991 1.00 0.00 N ATOM 0 H LYS A 454 7.688 0.629 -0.526 1.00 0.00 H new ATOM 0 HA LYS A 454 9.810 -1.150 0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 454 7.612 0.125 2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 454 8.509 -1.294 2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 454 10.639 -0.014 2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 454 9.777 1.402 1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 454 8.442 1.462 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 454 9.238 0.007 4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 454 11.450 1.195 4.509 1.00 0.00 H new ATOM 0 HE3 LYS A 454 10.627 2.653 3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 11.040 2.673 6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 9.369 2.643 6.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 10.167 1.231 6.557 1.00 0.00 H new ATOM 446 N TYR A 455 8.007 -3.062 0.680 1.00 0.00 N ATOM 447 CA TYR A 455 7.107 -4.178 0.437 1.00 0.00 C ATOM 448 C TYR A 455 5.897 -4.085 1.358 1.00 0.00 C ATOM 449 O TYR A 455 6.008 -3.629 2.494 1.00 0.00 O ATOM 450 CB TYR A 455 7.841 -5.504 0.636 1.00 0.00 C ATOM 451 CG TYR A 455 8.945 -5.744 -0.368 1.00 0.00 C ATOM 452 CD1 TYR A 455 8.625 -6.193 -1.659 1.00 0.00 C ATOM 453 CD2 TYR A 455 10.284 -5.523 -0.007 1.00 0.00 C ATOM 454 CE1 TYR A 455 9.644 -6.415 -2.597 1.00 0.00 C ATOM 455 CE2 TYR A 455 11.304 -5.746 -0.943 1.00 0.00 C ATOM 456 CZ TYR A 455 10.988 -6.192 -2.241 1.00 0.00 C ATOM 457 OH TYR A 455 11.976 -6.412 -3.151 1.00 0.00 O ATOM 0 H TYR A 455 8.795 -3.290 1.287 1.00 0.00 H new ATOM 0 HA TYR A 455 6.758 -4.133 -0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 455 8.264 -5.528 1.640 1.00 0.00 H new ATOM 0 HB3 TYR A 455 7.121 -6.320 0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 455 7.594 -6.368 -1.930 1.00 0.00 H new ATOM 0 HD2 TYR A 455 10.527 -5.182 0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 455 9.398 -6.757 -3.592 1.00 0.00 H new ATOM 0 HE2 TYR A 455 12.334 -5.575 -0.668 1.00 0.00 H new ATOM 0 HH TYR A 455 12.845 -6.209 -2.746 1.00 0.00 H new ATOM 467 N PHE A 456 4.740 -4.523 0.857 1.00 0.00 N ATOM 468 CA PHE A 456 3.482 -4.471 1.581 1.00 0.00 C ATOM 469 C PHE A 456 2.573 -5.618 1.145 1.00 0.00 C ATOM 470 O PHE A 456 2.906 -6.384 0.239 1.00 0.00 O ATOM 471 CB PHE A 456 2.788 -3.136 1.292 1.00 0.00 C ATOM 472 CG PHE A 456 3.521 -1.915 1.804 1.00 0.00 C ATOM 473 CD1 PHE A 456 3.503 -1.607 3.174 1.00 0.00 C ATOM 474 CD2 PHE A 456 4.214 -1.084 0.913 1.00 0.00 C ATOM 475 CE1 PHE A 456 4.171 -0.472 3.650 1.00 0.00 C ATOM 476 CE2 PHE A 456 4.885 0.053 1.389 1.00 0.00 C ATOM 477 CZ PHE A 456 4.863 0.357 2.758 1.00 0.00 C ATOM 0 H PHE A 456 4.656 -4.928 -0.076 1.00 0.00 H new ATOM 0 HA PHE A 456 3.682 -4.564 2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 456 2.655 -3.037 0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 456 1.792 -3.157 1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 456 2.972 -2.248 3.863 1.00 0.00 H new ATOM 0 HD2 PHE A 456 4.232 -1.319 -0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 456 4.153 -0.236 4.704 1.00 0.00 H new ATOM 0 HE2 PHE A 456 5.418 0.693 0.702 1.00 0.00 H new ATOM 0 HZ PHE A 456 5.380 1.231 3.125 1.00 0.00 H new ATOM 487 N CYS A 457 1.421 -5.724 1.807 1.00 0.00 N ATOM 488 CA CYS A 457 0.399 -6.712 1.520 1.00 0.00 C ATOM 489 C CYS A 457 -0.902 -5.996 1.151 1.00 0.00 C ATOM 490 O CYS A 457 -1.009 -4.780 1.301 1.00 0.00 O ATOM 491 CB CYS A 457 0.247 -7.639 2.725 1.00 0.00 C ATOM 492 SG CYS A 457 -0.039 -6.656 4.218 1.00 0.00 S ATOM 0 H CYS A 457 1.173 -5.104 2.578 1.00 0.00 H new ATOM 0 HA CYS A 457 0.679 -7.332 0.668 1.00 0.00 H new ATOM 0 HB2 CYS A 457 -0.584 -8.326 2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 457 1.144 -8.247 2.844 1.00 0.00 H new ATOM 497 N ARG A 458 -1.902 -6.735 0.664 1.00 0.00 N ATOM 498 CA ARG A 458 -3.132 -6.121 0.168 1.00 0.00 C ATOM 499 C ARG A 458 -3.892 -5.377 1.266 1.00 0.00 C ATOM 500 O ARG A 458 -4.661 -4.464 0.971 1.00 0.00 O ATOM 501 CB ARG A 458 -4.012 -7.196 -0.475 1.00 0.00 C ATOM 502 CG ARG A 458 -4.489 -8.237 0.541 1.00 0.00 C ATOM 503 CD ARG A 458 -5.345 -9.293 -0.156 1.00 0.00 C ATOM 504 NE ARG A 458 -5.824 -10.297 0.803 1.00 0.00 N ATOM 505 CZ ARG A 458 -6.554 -11.365 0.467 1.00 0.00 C ATOM 506 NH1 ARG A 458 -6.888 -11.592 -0.805 1.00 0.00 N ATOM 507 NH2 ARG A 458 -6.955 -12.215 1.404 1.00 0.00 N ATOM 0 H ARG A 458 -1.883 -7.753 0.603 1.00 0.00 H new ATOM 0 HA ARG A 458 -2.862 -5.375 -0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 458 -4.876 -6.724 -0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 458 -3.454 -7.694 -1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 458 -3.631 -8.710 1.019 1.00 0.00 H new ATOM 0 HG3 ARG A 458 -5.065 -7.751 1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 458 -6.195 -8.815 -0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 458 -4.763 -9.780 -0.938 1.00 0.00 H new ATOM 0 HE ARG A 458 -5.585 -10.171 1.787 1.00 0.00 H new ATOM 0 HH11 ARG A 458 -6.586 -10.947 -1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 458 -7.446 -12.411 -1.048 1.00 0.00 H new ATOM 0 HH21 ARG A 458 -6.706 -12.053 2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 458 -7.512 -13.030 1.148 1.00 0.00 H new ATOM 521 N SER A 459 -3.692 -5.756 2.530 1.00 0.00 N ATOM 522 CA SER A 459 -4.404 -5.141 3.637 1.00 0.00 C ATOM 523 C SER A 459 -3.926 -3.711 3.851 1.00 0.00 C ATOM 524 O SER A 459 -4.720 -2.773 3.838 1.00 0.00 O ATOM 525 CB SER A 459 -4.159 -5.964 4.900 1.00 0.00 C ATOM 526 OG SER A 459 -4.758 -7.239 4.760 1.00 0.00 O ATOM 0 H SER A 459 -3.039 -6.489 2.806 1.00 0.00 H new ATOM 0 HA SER A 459 -5.470 -5.115 3.410 1.00 0.00 H new ATOM 0 HB2 SER A 459 -3.088 -6.071 5.074 1.00 0.00 H new ATOM 0 HB3 SER A 459 -4.573 -5.450 5.767 1.00 0.00 H new ATOM 0 HG SER A 459 -4.598 -7.766 5.571 1.00 0.00 H new ATOM 532 N CYS A 460 -2.617 -3.542 4.046 1.00 0.00 N ATOM 533 CA CYS A 460 -2.054 -2.241 4.343 1.00 0.00 C ATOM 534 C CYS A 460 -1.875 -1.421 3.070 1.00 0.00 C ATOM 535 O CYS A 460 -1.716 -0.201 3.142 1.00 0.00 O ATOM 536 CB CYS A 460 -0.760 -2.437 5.129 1.00 0.00 C ATOM 537 SG CYS A 460 0.338 -3.556 4.229 1.00 0.00 S ATOM 0 H CYS A 460 -1.933 -4.297 4.002 1.00 0.00 H new ATOM 0 HA CYS A 460 -2.737 -1.662 4.965 1.00 0.00 H new ATOM 0 HB2 CYS A 460 -0.268 -1.477 5.284 1.00 0.00 H new ATOM 0 HB3 CYS A 460 -0.981 -2.845 6.116 1.00 0.00 H new ATOM 542 N TRP A 461 -1.905 -2.064 1.897 1.00 0.00 N ATOM 543 CA TRP A 461 -1.926 -1.321 0.650 1.00 0.00 C ATOM 544 C TRP A 461 -3.183 -0.461 0.627 1.00 0.00 C ATOM 545 O TRP A 461 -3.112 0.717 0.289 1.00 0.00 O ATOM 546 CB TRP A 461 -1.910 -2.270 -0.548 1.00 0.00 C ATOM 547 CG TRP A 461 -1.946 -1.567 -1.872 1.00 0.00 C ATOM 548 CD1 TRP A 461 -3.041 -1.021 -2.442 1.00 0.00 C ATOM 549 CD2 TRP A 461 -0.855 -1.318 -2.807 1.00 0.00 C ATOM 550 NE1 TRP A 461 -2.700 -0.424 -3.636 1.00 0.00 N ATOM 551 CE2 TRP A 461 -1.352 -0.555 -3.902 1.00 0.00 C ATOM 552 CE3 TRP A 461 0.516 -1.637 -2.828 1.00 0.00 C ATOM 553 CZ2 TRP A 461 -0.532 -0.095 -4.938 1.00 0.00 C ATOM 554 CZ3 TRP A 461 1.341 -1.212 -3.880 1.00 0.00 C ATOM 555 CH2 TRP A 461 0.827 -0.433 -4.926 1.00 0.00 C ATOM 0 H TRP A 461 -1.915 -3.079 1.794 1.00 0.00 H new ATOM 0 HA TRP A 461 -1.039 -0.691 0.583 1.00 0.00 H new ATOM 0 HB2 TRP A 461 -1.014 -2.888 -0.499 1.00 0.00 H new ATOM 0 HB3 TRP A 461 -2.765 -2.942 -0.480 1.00 0.00 H new ATOM 0 HD1 TRP A 461 -4.037 -1.048 -2.024 1.00 0.00 H new ATOM 0 HE1 TRP A 461 -3.361 0.055 -4.247 1.00 0.00 H new ATOM 0 HE3 TRP A 461 0.939 -2.218 -2.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 -0.940 0.511 -5.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 2.385 -1.488 -3.884 1.00 0.00 H new ATOM 0 HH2 TRP A 461 1.477 -0.095 -5.720 1.00 0.00 H new ATOM 566 N HIS A 462 -4.337 -1.033 0.989 1.00 0.00 N ATOM 567 CA HIS A 462 -5.583 -0.282 0.989 1.00 0.00 C ATOM 568 C HIS A 462 -5.702 0.611 2.225 1.00 0.00 C ATOM 569 O HIS A 462 -6.597 1.450 2.285 1.00 0.00 O ATOM 570 CB HIS A 462 -6.766 -1.245 0.884 1.00 0.00 C ATOM 571 CG HIS A 462 -6.801 -2.007 -0.414 1.00 0.00 C ATOM 572 ND1 HIS A 462 -6.626 -1.447 -1.682 1.00 0.00 N ATOM 573 CD2 HIS A 462 -7.010 -3.351 -0.541 1.00 0.00 C ATOM 574 CE1 HIS A 462 -6.728 -2.475 -2.541 1.00 0.00 C ATOM 575 NE2 HIS A 462 -6.961 -3.626 -1.885 1.00 0.00 N ATOM 0 H HIS A 462 -4.427 -2.006 1.282 1.00 0.00 H new ATOM 0 HA HIS A 462 -5.589 0.378 0.121 1.00 0.00 H new ATOM 0 HB2 HIS A 462 -6.724 -1.953 1.712 1.00 0.00 H new ATOM 0 HB3 HIS A 462 -7.694 -0.683 0.992 1.00 0.00 H new ATOM 0 HD2 HIS A 462 -7.180 -4.057 0.258 1.00 0.00 H new ATOM 0 HE1 HIS A 462 -6.635 -2.389 -3.614 1.00 0.00 H new ATOM 0 HE2 HIS A 462 -7.081 -4.544 -2.312 1.00 0.00 H new ATOM 583 N TRP A 463 -4.817 0.452 3.217 1.00 0.00 N ATOM 584 CA TRP A 463 -4.798 1.352 4.364 1.00 0.00 C ATOM 585 C TRP A 463 -3.964 2.605 4.084 1.00 0.00 C ATOM 586 O TRP A 463 -4.006 3.544 4.879 1.00 0.00 O ATOM 587 CB TRP A 463 -4.278 0.634 5.609 1.00 0.00 C ATOM 588 CG TRP A 463 -5.059 -0.559 6.076 1.00 0.00 C ATOM 589 CD1 TRP A 463 -6.365 -0.806 5.825 1.00 0.00 C ATOM 590 CD2 TRP A 463 -4.599 -1.684 6.885 1.00 0.00 C ATOM 591 NE1 TRP A 463 -6.738 -1.995 6.415 1.00 0.00 N ATOM 592 CE2 TRP A 463 -5.683 -2.583 7.083 1.00 0.00 C ATOM 593 CE3 TRP A 463 -3.367 -2.032 7.467 1.00 0.00 C ATOM 594 CZ2 TRP A 463 -5.549 -3.765 7.824 1.00 0.00 C ATOM 595 CZ3 TRP A 463 -3.218 -3.219 8.202 1.00 0.00 C ATOM 596 CH2 TRP A 463 -4.306 -4.083 8.384 1.00 0.00 C ATOM 0 H TRP A 463 -4.113 -0.286 3.244 1.00 0.00 H new ATOM 0 HA TRP A 463 -5.825 1.668 4.547 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -3.254 0.315 5.415 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -4.238 1.355 6.425 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -7.018 -0.167 5.249 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -7.677 -2.391 6.364 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -2.519 -1.374 7.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -6.395 -4.423 7.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -2.258 -3.468 8.630 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -4.186 -4.992 8.955 1.00 0.00 H new ATOM 607 N ARG A 464 -3.208 2.640 2.980 1.00 0.00 N ATOM 608 CA ARG A 464 -2.413 3.817 2.632 1.00 0.00 C ATOM 609 C ARG A 464 -2.680 4.336 1.220 1.00 0.00 C ATOM 610 O ARG A 464 -2.452 5.512 0.965 1.00 0.00 O ATOM 611 CB ARG A 464 -0.927 3.485 2.791 1.00 0.00 C ATOM 612 CG ARG A 464 -0.541 3.237 4.250 1.00 0.00 C ATOM 613 CD ARG A 464 -0.634 4.532 5.061 1.00 0.00 C ATOM 614 NE ARG A 464 -0.238 4.309 6.456 1.00 0.00 N ATOM 615 CZ ARG A 464 -1.066 3.934 7.432 1.00 0.00 C ATOM 616 NH1 ARG A 464 -2.358 3.720 7.194 1.00 0.00 N ATOM 617 NH2 ARG A 464 -0.600 3.766 8.665 1.00 0.00 N ATOM 0 H ARG A 464 -3.132 1.869 2.317 1.00 0.00 H new ATOM 0 HA ARG A 464 -2.708 4.615 3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -0.689 2.601 2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -0.329 4.305 2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -1.199 2.483 4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 464 0.474 2.842 4.301 1.00 0.00 H new ATOM 0 HD2 ARG A 464 0.007 5.292 4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -1.654 4.915 5.026 1.00 0.00 H new ATOM 0 HE ARG A 464 0.743 4.451 6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -2.730 3.842 6.252 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -2.976 3.434 7.953 1.00 0.00 H new ATOM 0 HH21 ARG A 464 0.388 3.924 8.863 1.00 0.00 H new ATOM 0 HH22 ARG A 464 -1.230 3.479 9.414 1.00 0.00 H new ATOM 631 N HIS A 465 -3.152 3.491 0.304 1.00 0.00 N ATOM 632 CA HIS A 465 -3.367 3.880 -1.086 1.00 0.00 C ATOM 633 C HIS A 465 -4.809 4.322 -1.354 1.00 0.00 C ATOM 634 O HIS A 465 -5.219 4.430 -2.507 1.00 0.00 O ATOM 635 CB HIS A 465 -2.919 2.759 -2.022 1.00 0.00 C ATOM 636 CG HIS A 465 -1.434 2.502 -1.948 1.00 0.00 C ATOM 637 ND1 HIS A 465 -0.820 1.446 -1.318 1.00 0.00 N ATOM 638 CD2 HIS A 465 -0.442 3.263 -2.503 1.00 0.00 C ATOM 639 CE1 HIS A 465 0.507 1.569 -1.494 1.00 0.00 C ATOM 640 NE2 HIS A 465 0.797 2.666 -2.220 1.00 0.00 N ATOM 0 H HIS A 465 -3.395 2.521 0.505 1.00 0.00 H new ATOM 0 HA HIS A 465 -2.751 4.756 -1.289 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -3.456 1.844 -1.771 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -3.189 3.016 -3.046 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -1.289 0.699 -0.806 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -0.588 4.173 -3.066 1.00 0.00 H new ATOM 0 HE1 HIS A 465 1.242 0.880 -1.105 1.00 0.00 H new ATOM 648 N SER A 466 -5.580 4.575 -0.292 1.00 0.00 N ATOM 649 CA SER A 466 -6.965 5.020 -0.398 1.00 0.00 C ATOM 650 C SER A 466 -7.109 6.521 -0.141 1.00 0.00 C ATOM 651 O SER A 466 -8.224 7.017 0.007 1.00 0.00 O ATOM 652 CB SER A 466 -7.848 4.196 0.541 1.00 0.00 C ATOM 653 OG SER A 466 -7.828 2.843 0.132 1.00 0.00 O ATOM 0 H SER A 466 -5.255 4.475 0.670 1.00 0.00 H new ATOM 0 HA SER A 466 -7.299 4.855 -1.423 1.00 0.00 H new ATOM 0 HB2 SER A 466 -7.489 4.283 1.567 1.00 0.00 H new ATOM 0 HB3 SER A 466 -8.869 4.577 0.527 1.00 0.00 H new ATOM 0 HG SER A 466 -7.412 2.296 0.831 1.00 0.00 H new ATOM 659 N MET A 467 -5.991 7.248 -0.088 1.00 0.00 N ATOM 660 CA MET A 467 -5.990 8.698 0.077 1.00 0.00 C ATOM 661 C MET A 467 -5.410 9.368 -1.164 1.00 0.00 C ATOM 662 O MET A 467 -4.622 8.764 -1.889 1.00 0.00 O ATOM 663 CB MET A 467 -5.240 9.086 1.351 1.00 0.00 C ATOM 664 CG MET A 467 -3.760 8.710 1.268 1.00 0.00 C ATOM 665 SD MET A 467 -2.812 9.076 2.769 1.00 0.00 S ATOM 666 CE MET A 467 -3.573 7.892 3.909 1.00 0.00 C ATOM 0 H MET A 467 -5.058 6.843 -0.159 1.00 0.00 H new ATOM 0 HA MET A 467 -7.015 9.052 0.187 1.00 0.00 H new ATOM 0 HB2 MET A 467 -5.335 10.159 1.518 1.00 0.00 H new ATOM 0 HB3 MET A 467 -5.695 8.589 2.208 1.00 0.00 H new ATOM 0 HG2 MET A 467 -3.679 7.645 1.052 1.00 0.00 H new ATOM 0 HG3 MET A 467 -3.309 9.240 0.429 1.00 0.00 H new ATOM 0 HE1 MET A 467 -2.947 7.786 4.795 1.00 0.00 H new ATOM 0 HE2 MET A 467 -4.559 8.252 4.202 1.00 0.00 H new ATOM 0 HE3 MET A 467 -3.671 6.924 3.417 1.00 0.00 H new ATOM 676 N GLU A 468 -5.797 10.622 -1.411 1.00 0.00 N ATOM 677 CA GLU A 468 -5.448 11.331 -2.637 1.00 0.00 C ATOM 678 C GLU A 468 -3.936 11.423 -2.850 1.00 0.00 C ATOM 679 O GLU A 468 -3.486 11.603 -3.981 1.00 0.00 O ATOM 680 CB GLU A 468 -6.078 12.724 -2.567 1.00 0.00 C ATOM 681 CG GLU A 468 -5.918 13.486 -3.886 1.00 0.00 C ATOM 682 CD GLU A 468 -6.654 14.820 -3.833 1.00 0.00 C ATOM 683 OE1 GLU A 468 -6.037 15.806 -3.368 1.00 0.00 O ATOM 684 OE2 GLU A 468 -7.830 14.852 -4.260 1.00 0.00 O ATOM 0 H GLU A 468 -6.362 11.172 -0.764 1.00 0.00 H new ATOM 0 HA GLU A 468 -5.834 10.777 -3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -7.137 12.633 -2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -5.615 13.292 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -4.860 13.657 -4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -6.305 12.884 -4.708 1.00 0.00 H new ATOM 691 N GLY A 469 -3.146 11.304 -1.779 1.00 0.00 N ATOM 692 CA GLY A 469 -1.699 11.379 -1.865 1.00 0.00 C ATOM 693 C GLY A 469 -1.061 10.076 -2.351 1.00 0.00 C ATOM 694 O GLY A 469 0.149 10.037 -2.563 1.00 0.00 O ATOM 0 H GLY A 469 -3.498 11.153 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 469 -1.422 12.187 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 469 -1.295 11.632 -0.885 1.00 0.00 H new ATOM 698 N LEU A 470 -1.851 9.013 -2.523 1.00 0.00 N ATOM 699 CA LEU A 470 -1.358 7.717 -2.969 1.00 0.00 C ATOM 700 C LEU A 470 -2.291 7.027 -3.972 1.00 0.00 C ATOM 701 O LEU A 470 -2.015 5.896 -4.371 1.00 0.00 O ATOM 702 CB LEU A 470 -1.123 6.811 -1.756 1.00 0.00 C ATOM 703 CG LEU A 470 0.064 7.257 -0.909 1.00 0.00 C ATOM 704 CD1 LEU A 470 -0.354 8.171 0.230 1.00 0.00 C ATOM 705 CD2 LEU A 470 0.730 6.040 -0.268 1.00 0.00 C ATOM 0 H LEU A 470 -2.857 9.033 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 470 -0.420 7.896 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 470 -2.021 6.798 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 470 -0.957 5.789 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 470 0.739 7.789 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 470 0.525 8.462 0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 470 -0.833 9.062 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 470 -1.054 7.646 0.880 1.00 0.00 H new ATOM 0 HD21 LEU A 470 1.577 6.365 0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 470 0.010 5.523 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 470 1.079 5.363 -1.048 1.00 0.00 H new ATOM 717 N ARG A 471 -3.382 7.675 -4.392 1.00 0.00 N ATOM 718 CA ARG A 471 -4.320 7.112 -5.364 1.00 0.00 C ATOM 719 C ARG A 471 -3.773 7.175 -6.792 1.00 0.00 C ATOM 720 O ARG A 471 -4.530 7.017 -7.748 1.00 0.00 O ATOM 721 CB ARG A 471 -5.677 7.820 -5.254 1.00 0.00 C ATOM 722 CG ARG A 471 -6.489 7.238 -4.096 1.00 0.00 C ATOM 723 CD ARG A 471 -7.800 8.010 -3.953 1.00 0.00 C ATOM 724 NE ARG A 471 -8.623 7.461 -2.869 1.00 0.00 N ATOM 725 CZ ARG A 471 -9.542 6.503 -3.026 1.00 0.00 C ATOM 726 NH1 ARG A 471 -9.780 5.971 -4.222 1.00 0.00 N ATOM 727 NH2 ARG A 471 -10.229 6.071 -1.974 1.00 0.00 N ATOM 0 H ARG A 471 -3.639 8.607 -4.066 1.00 0.00 H new ATOM 0 HA ARG A 471 -4.456 6.056 -5.129 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -5.526 8.888 -5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -6.230 7.708 -6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -6.694 6.183 -4.276 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -5.917 7.298 -3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -7.587 9.060 -3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -8.354 7.968 -4.891 1.00 0.00 H new ATOM 0 HE ARG A 471 -8.484 7.836 -1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -9.258 6.293 -5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -10.485 5.241 -4.324 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -10.054 6.470 -1.052 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -10.931 5.340 -2.089 1.00 0.00 H new ATOM 741 N HIS A 472 -2.467 7.407 -6.948 1.00 0.00 N ATOM 742 CA HIS A 472 -1.829 7.517 -8.253 1.00 0.00 C ATOM 743 C HIS A 472 -0.689 6.510 -8.423 1.00 0.00 C ATOM 744 O HIS A 472 0.047 6.575 -9.408 1.00 0.00 O ATOM 745 CB HIS A 472 -1.342 8.953 -8.449 1.00 0.00 C ATOM 746 CG HIS A 472 -0.293 9.344 -7.444 1.00 0.00 C ATOM 747 ND1 HIS A 472 -0.538 9.848 -6.163 1.00 0.00 N ATOM 748 CD2 HIS A 472 1.055 9.258 -7.641 1.00 0.00 C ATOM 749 CE1 HIS A 472 0.674 10.055 -5.622 1.00 0.00 C ATOM 750 NE2 HIS A 472 1.647 9.715 -6.487 1.00 0.00 N ATOM 0 H HIS A 472 -1.823 7.524 -6.166 1.00 0.00 H new ATOM 0 HA HIS A 472 -2.562 7.276 -9.023 1.00 0.00 H new ATOM 0 HB2 HIS A 472 -0.937 9.062 -9.455 1.00 0.00 H new ATOM 0 HB3 HIS A 472 -2.189 9.635 -8.371 1.00 0.00 H new ATOM 0 HD2 HIS A 472 1.557 8.901 -8.528 1.00 0.00 H new ATOM 0 HE1 HIS A 472 0.844 10.442 -4.628 1.00 0.00 H new ATOM 0 HE2 HIS A 472 2.650 9.784 -6.316 1.00 0.00 H new ATOM 758 N HIS A 473 -0.529 5.581 -7.474 1.00 0.00 N ATOM 759 CA HIS A 473 0.547 4.601 -7.510 1.00 0.00 C ATOM 760 C HIS A 473 0.189 3.438 -8.433 1.00 0.00 C ATOM 761 O HIS A 473 -0.960 3.296 -8.854 1.00 0.00 O ATOM 762 CB HIS A 473 0.827 4.101 -6.089 1.00 0.00 C ATOM 763 CG HIS A 473 1.305 5.166 -5.134 1.00 0.00 C ATOM 764 ND1 HIS A 473 1.713 4.938 -3.814 1.00 0.00 N ATOM 765 CD2 HIS A 473 1.408 6.499 -5.411 1.00 0.00 C ATOM 766 CE1 HIS A 473 2.024 6.153 -3.334 1.00 0.00 C ATOM 767 NE2 HIS A 473 1.863 7.103 -4.268 1.00 0.00 N ATOM 0 H HIS A 473 -1.143 5.493 -6.664 1.00 0.00 H new ATOM 0 HA HIS A 473 1.446 5.073 -7.906 1.00 0.00 H new ATOM 0 HB2 HIS A 473 -0.083 3.654 -5.689 1.00 0.00 H new ATOM 0 HB3 HIS A 473 1.576 3.311 -6.137 1.00 0.00 H new ATOM 0 HD2 HIS A 473 1.176 6.983 -6.348 1.00 0.00 H new ATOM 0 HE1 HIS A 473 2.361 6.341 -2.325 1.00 0.00 H new ATOM 0 HE2 HIS A 473 2.047 8.099 -4.148 1.00 0.00 H new ATOM 775 N SER A 474 1.182 2.602 -8.743 1.00 0.00 N ATOM 776 CA SER A 474 0.997 1.410 -9.556 1.00 0.00 C ATOM 777 C SER A 474 1.568 0.204 -8.816 1.00 0.00 C ATOM 778 O SER A 474 2.575 0.326 -8.116 1.00 0.00 O ATOM 779 CB SER A 474 1.652 1.596 -10.928 1.00 0.00 C ATOM 780 OG SER A 474 3.036 1.849 -10.784 1.00 0.00 O ATOM 0 H SER A 474 2.144 2.739 -8.431 1.00 0.00 H new ATOM 0 HA SER A 474 -0.066 1.238 -9.725 1.00 0.00 H new ATOM 0 HB2 SER A 474 1.500 0.703 -11.534 1.00 0.00 H new ATOM 0 HB3 SER A 474 1.178 2.424 -11.455 1.00 0.00 H new ATOM 0 HG SER A 474 3.441 1.964 -11.669 1.00 0.00 H new ATOM 786 N PRO A 475 0.936 -0.967 -8.958 1.00 0.00 N ATOM 787 CA PRO A 475 1.323 -2.179 -8.259 1.00 0.00 C ATOM 788 C PRO A 475 2.589 -2.792 -8.845 1.00 0.00 C ATOM 789 O PRO A 475 2.927 -2.567 -10.005 1.00 0.00 O ATOM 790 CB PRO A 475 0.129 -3.119 -8.417 1.00 0.00 C ATOM 791 CG PRO A 475 -0.430 -2.721 -9.784 1.00 0.00 C ATOM 792 CD PRO A 475 -0.224 -1.206 -9.798 1.00 0.00 C ATOM 0 HA PRO A 475 1.557 -1.982 -7.213 1.00 0.00 H new ATOM 0 HB2 PRO A 475 0.431 -4.166 -8.392 1.00 0.00 H new ATOM 0 HB3 PRO A 475 -0.605 -2.980 -7.623 1.00 0.00 H new ATOM 0 HG2 PRO A 475 0.104 -3.211 -10.599 1.00 0.00 H new ATOM 0 HG3 PRO A 475 -1.482 -2.988 -9.886 1.00 0.00 H new ATOM 0 HD2 PRO A 475 -0.057 -0.842 -10.812 1.00 0.00 H new ATOM 0 HD3 PRO A 475 -1.102 -0.687 -9.413 1.00 0.00 H new ATOM 800 N LEU A 476 3.284 -3.581 -8.021 1.00 0.00 N ATOM 801 CA LEU A 476 4.452 -4.343 -8.420 1.00 0.00 C ATOM 802 C LEU A 476 4.488 -5.621 -7.580 1.00 0.00 C ATOM 803 O LEU A 476 3.891 -5.660 -6.504 1.00 0.00 O ATOM 804 CB LEU A 476 5.708 -3.491 -8.201 1.00 0.00 C ATOM 805 CG LEU A 476 6.937 -4.053 -8.924 1.00 0.00 C ATOM 806 CD1 LEU A 476 6.787 -3.897 -10.435 1.00 0.00 C ATOM 807 CD2 LEU A 476 8.182 -3.289 -8.480 1.00 0.00 C ATOM 0 H LEU A 476 3.038 -3.705 -7.039 1.00 0.00 H new ATOM 0 HA LEU A 476 4.411 -4.611 -9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 476 5.519 -2.476 -8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 476 5.917 -3.427 -7.133 1.00 0.00 H new ATOM 0 HG LEU A 476 7.029 -5.110 -8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 476 7.669 -4.301 -10.932 1.00 0.00 H new ATOM 0 HD12 LEU A 476 5.902 -4.437 -10.770 1.00 0.00 H new ATOM 0 HD13 LEU A 476 6.683 -2.841 -10.683 1.00 0.00 H new ATOM 0 HD21 LEU A 476 9.056 -3.688 -8.994 1.00 0.00 H new ATOM 0 HD22 LEU A 476 8.068 -2.233 -8.725 1.00 0.00 H new ATOM 0 HD23 LEU A 476 8.312 -3.399 -7.403 1.00 0.00 H new ATOM 819 N MET A 477 5.174 -6.661 -8.055 1.00 0.00 N ATOM 820 CA MET A 477 5.233 -7.933 -7.345 1.00 0.00 C ATOM 821 C MET A 477 6.655 -8.236 -6.885 1.00 0.00 C ATOM 822 O MET A 477 7.623 -7.758 -7.472 1.00 0.00 O ATOM 823 CB MET A 477 4.688 -9.050 -8.238 1.00 0.00 C ATOM 824 CG MET A 477 3.224 -8.792 -8.597 1.00 0.00 C ATOM 825 SD MET A 477 2.497 -10.081 -9.636 1.00 0.00 S ATOM 826 CE MET A 477 0.836 -9.392 -9.831 1.00 0.00 C ATOM 0 H MET A 477 5.697 -6.644 -8.931 1.00 0.00 H new ATOM 0 HA MET A 477 4.611 -7.868 -6.452 1.00 0.00 H new ATOM 0 HB2 MET A 477 5.284 -9.118 -9.148 1.00 0.00 H new ATOM 0 HB3 MET A 477 4.778 -10.008 -7.726 1.00 0.00 H new ATOM 0 HG2 MET A 477 2.643 -8.706 -7.679 1.00 0.00 H new ATOM 0 HG3 MET A 477 3.148 -7.835 -9.113 1.00 0.00 H new ATOM 0 HE1 MET A 477 0.236 -10.059 -10.450 1.00 0.00 H new ATOM 0 HE2 MET A 477 0.368 -9.287 -8.852 1.00 0.00 H new ATOM 0 HE3 MET A 477 0.901 -8.414 -10.308 1.00 0.00 H new ATOM 836 N ARG A 478 6.773 -9.039 -5.821 1.00 0.00 N ATOM 837 CA ARG A 478 8.059 -9.442 -5.265 1.00 0.00 C ATOM 838 C ARG A 478 8.593 -10.689 -5.970 1.00 0.00 C ATOM 839 O ARG A 478 9.759 -11.047 -5.808 1.00 0.00 O ATOM 840 CB ARG A 478 7.888 -9.645 -3.755 1.00 0.00 C ATOM 841 CG ARG A 478 9.225 -9.906 -3.056 1.00 0.00 C ATOM 842 CD ARG A 478 9.017 -9.958 -1.541 1.00 0.00 C ATOM 843 NE ARG A 478 10.284 -10.188 -0.836 1.00 0.00 N ATOM 844 CZ ARG A 478 10.857 -11.383 -0.675 1.00 0.00 C ATOM 845 NH1 ARG A 478 10.294 -12.484 -1.166 1.00 0.00 N ATOM 846 NH2 ARG A 478 12.006 -11.475 -0.012 1.00 0.00 N ATOM 0 H ARG A 478 5.972 -9.427 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 478 8.805 -8.664 -5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 478 7.419 -8.762 -3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 478 7.215 -10.484 -3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 478 9.651 -10.846 -3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 478 9.937 -9.120 -3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 478 8.574 -9.022 -1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 478 8.312 -10.753 -1.296 1.00 0.00 H new ATOM 0 HE ARG A 478 10.760 -9.377 -0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 478 9.412 -12.423 -1.674 1.00 0.00 H new ATOM 0 HH12 ARG A 478 10.745 -13.389 -1.034 1.00 0.00 H new ATOM 0 HH21 ARG A 478 12.443 -10.636 0.369 1.00 0.00 H new ATOM 0 HH22 ARG A 478 12.450 -12.384 0.115 1.00 0.00 H new ATOM 860 N ASN A 479 7.741 -11.356 -6.757 1.00 0.00 N ATOM 861 CA ASN A 479 8.112 -12.558 -7.487 1.00 0.00 C ATOM 862 C ASN A 479 8.477 -12.226 -8.933 1.00 0.00 C ATOM 863 O ASN A 479 8.143 -11.153 -9.433 1.00 0.00 O ATOM 864 CB ASN A 479 6.968 -13.573 -7.422 1.00 0.00 C ATOM 865 CG ASN A 479 6.673 -14.042 -6.001 1.00 0.00 C ATOM 866 OD1 ASN A 479 7.371 -13.691 -5.053 1.00 0.00 O ATOM 867 ND2 ASN A 479 5.624 -14.842 -5.849 1.00 0.00 N ATOM 0 H ASN A 479 6.773 -11.070 -6.901 1.00 0.00 H new ATOM 0 HA ASN A 479 8.994 -12.998 -7.022 1.00 0.00 H new ATOM 0 HB2 ASN A 479 6.068 -13.127 -7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 479 7.218 -14.436 -8.040 1.00 0.00 H new ATOM 0 HD21 ASN A 479 5.375 -15.186 -4.922 1.00 0.00 H new ATOM 0 HD22 ASN A 479 5.067 -15.113 -6.660 1.00 0.00 H new ATOM 874 N GLN A 480 9.163 -13.152 -9.605 1.00 0.00 N ATOM 875 CA GLN A 480 9.589 -12.970 -10.985 1.00 0.00 C ATOM 876 C GLN A 480 9.598 -14.307 -11.722 1.00 0.00 C ATOM 877 O GLN A 480 9.551 -15.366 -11.100 1.00 0.00 O ATOM 878 CB GLN A 480 10.975 -12.314 -11.016 1.00 0.00 C ATOM 879 CG GLN A 480 12.027 -13.178 -10.307 1.00 0.00 C ATOM 880 CD GLN A 480 13.412 -12.538 -10.347 1.00 0.00 C ATOM 881 OE1 GLN A 480 13.603 -11.470 -10.916 1.00 0.00 O ATOM 882 NE2 GLN A 480 14.396 -13.197 -9.741 1.00 0.00 N ATOM 0 H GLN A 480 9.437 -14.049 -9.203 1.00 0.00 H new ATOM 0 HA GLN A 480 8.883 -12.314 -11.494 1.00 0.00 H new ATOM 0 HB2 GLN A 480 11.277 -12.149 -12.050 1.00 0.00 H new ATOM 0 HB3 GLN A 480 10.925 -11.336 -10.538 1.00 0.00 H new ATOM 0 HG2 GLN A 480 11.729 -13.334 -9.270 1.00 0.00 H new ATOM 0 HG3 GLN A 480 12.067 -14.160 -10.778 1.00 0.00 H new ATOM 0 HE21 GLN A 480 14.205 -14.084 -9.276 1.00 0.00 H new ATOM 0 HE22 GLN A 480 15.342 -12.815 -9.742 1.00 0.00 H new ATOM 891 N LYS A 481 9.656 -14.254 -13.058 1.00 0.00 N ATOM 892 CA LYS A 481 9.669 -15.446 -13.900 1.00 0.00 C ATOM 893 C LYS A 481 11.101 -15.903 -14.195 1.00 0.00 C ATOM 894 O LYS A 481 11.306 -16.895 -14.893 1.00 0.00 O ATOM 895 CB LYS A 481 8.880 -15.154 -15.182 1.00 0.00 C ATOM 896 CG LYS A 481 8.461 -16.443 -15.890 1.00 0.00 C ATOM 897 CD LYS A 481 7.637 -16.126 -17.136 1.00 0.00 C ATOM 898 CE LYS A 481 7.178 -17.433 -17.781 1.00 0.00 C ATOM 899 NZ LYS A 481 6.424 -17.184 -19.023 1.00 0.00 N ATOM 0 H LYS A 481 9.695 -13.380 -13.582 1.00 0.00 H new ATOM 0 HA LYS A 481 9.190 -16.272 -13.374 1.00 0.00 H new ATOM 0 HB2 LYS A 481 7.994 -14.567 -14.939 1.00 0.00 H new ATOM 0 HB3 LYS A 481 9.488 -14.550 -15.855 1.00 0.00 H new ATOM 0 HG2 LYS A 481 9.346 -17.016 -16.168 1.00 0.00 H new ATOM 0 HG3 LYS A 481 7.879 -17.065 -15.210 1.00 0.00 H new ATOM 0 HD2 LYS A 481 6.774 -15.515 -16.870 1.00 0.00 H new ATOM 0 HD3 LYS A 481 8.232 -15.547 -17.842 1.00 0.00 H new ATOM 0 HE2 LYS A 481 8.045 -18.057 -17.999 1.00 0.00 H new ATOM 0 HE3 LYS A 481 6.554 -17.987 -17.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 5.773 -17.976 -19.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 5.880 -16.303 -18.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 7.087 -17.097 -19.820 1.00 0.00 H new ATOM 913 N ASN A 482 12.100 -15.182 -13.665 1.00 0.00 N ATOM 914 CA ASN A 482 13.512 -15.458 -13.891 1.00 0.00 C ATOM 915 C ASN A 482 13.854 -15.503 -15.385 1.00 0.00 C ATOM 916 O ASN A 482 14.719 -16.265 -15.819 1.00 0.00 O ATOM 917 CB ASN A 482 13.930 -16.714 -13.119 1.00 0.00 C ATOM 918 CG ASN A 482 15.444 -16.863 -13.027 1.00 0.00 C ATOM 919 OD1 ASN A 482 16.198 -15.933 -13.309 1.00 0.00 O ATOM 920 ND2 ASN A 482 15.902 -18.044 -12.623 1.00 0.00 N ATOM 0 H ASN A 482 11.938 -14.378 -13.058 1.00 0.00 H new ATOM 0 HA ASN A 482 14.105 -14.633 -13.496 1.00 0.00 H new ATOM 0 HB2 ASN A 482 13.510 -16.676 -12.114 1.00 0.00 H new ATOM 0 HB3 ASN A 482 13.510 -17.594 -13.607 1.00 0.00 H new ATOM 0 HD21 ASN A 482 16.907 -18.200 -12.539 1.00 0.00 H new ATOM 0 HD22 ASN A 482 15.249 -18.794 -12.397 1.00 0.00 H new ATOM 927 N ARG A 483 13.163 -14.673 -16.177 1.00 0.00 N ATOM 928 CA ARG A 483 13.363 -14.563 -17.617 1.00 0.00 C ATOM 929 C ARG A 483 13.373 -13.094 -18.024 1.00 0.00 C ATOM 930 O ARG A 483 12.795 -12.250 -17.339 1.00 0.00 O ATOM 931 CB ARG A 483 12.247 -15.307 -18.358 1.00 0.00 C ATOM 932 CG ARG A 483 12.393 -16.824 -18.215 1.00 0.00 C ATOM 933 CD ARG A 483 11.182 -17.543 -18.819 1.00 0.00 C ATOM 934 NE ARG A 483 10.969 -17.199 -20.231 1.00 0.00 N ATOM 935 CZ ARG A 483 11.705 -17.655 -21.248 1.00 0.00 C ATOM 936 NH1 ARG A 483 12.743 -18.462 -21.036 1.00 0.00 N ATOM 937 NH2 ARG A 483 11.404 -17.303 -22.491 1.00 0.00 N ATOM 0 H ARG A 483 12.437 -14.050 -15.823 1.00 0.00 H new ATOM 0 HA ARG A 483 14.320 -15.012 -17.881 1.00 0.00 H new ATOM 0 HB2 ARG A 483 11.279 -14.995 -17.967 1.00 0.00 H new ATOM 0 HB3 ARG A 483 12.267 -15.036 -19.414 1.00 0.00 H new ATOM 0 HG2 ARG A 483 13.305 -17.155 -18.712 1.00 0.00 H new ATOM 0 HG3 ARG A 483 12.491 -17.087 -17.162 1.00 0.00 H new ATOM 0 HD2 ARG A 483 11.321 -18.620 -18.728 1.00 0.00 H new ATOM 0 HD3 ARG A 483 10.290 -17.287 -18.248 1.00 0.00 H new ATOM 0 HE ARG A 483 10.202 -16.564 -20.451 1.00 0.00 H new ATOM 0 HH11 ARG A 483 12.986 -18.741 -20.086 1.00 0.00 H new ATOM 0 HH12 ARG A 483 13.295 -18.801 -21.824 1.00 0.00 H new ATOM 0 HH21 ARG A 483 10.612 -16.685 -22.669 1.00 0.00 H new ATOM 0 HH22 ARG A 483 11.965 -17.650 -23.269 1.00 0.00 H new ATOM 951 N ASP A 484 14.033 -12.792 -19.145 1.00 0.00 N ATOM 952 CA ASP A 484 14.093 -11.440 -19.693 1.00 0.00 C ATOM 953 C ASP A 484 13.024 -11.248 -20.772 1.00 0.00 C ATOM 954 O ASP A 484 12.874 -10.160 -21.323 1.00 0.00 O ATOM 955 CB ASP A 484 15.504 -11.188 -20.225 1.00 0.00 C ATOM 956 CG ASP A 484 15.699 -9.747 -20.685 1.00 0.00 C ATOM 957 OD1 ASP A 484 15.504 -8.843 -19.844 1.00 0.00 O ATOM 958 OD2 ASP A 484 16.044 -9.558 -21.873 1.00 0.00 O ATOM 0 H ASP A 484 14.541 -13.482 -19.698 1.00 0.00 H new ATOM 0 HA ASP A 484 13.882 -10.708 -18.913 1.00 0.00 H new ATOM 0 HB2 ASP A 484 16.231 -11.420 -19.446 1.00 0.00 H new ATOM 0 HB3 ASP A 484 15.702 -11.863 -21.058 1.00 0.00 H new ATOM 963 N SER A 485 12.278 -12.317 -21.071 1.00 0.00 N ATOM 964 CA SER A 485 11.217 -12.325 -22.067 1.00 0.00 C ATOM 965 C SER A 485 10.116 -13.293 -21.643 1.00 0.00 C ATOM 966 O SER A 485 10.266 -14.013 -20.657 1.00 0.00 O ATOM 967 CB SER A 485 11.799 -12.724 -23.426 1.00 0.00 C ATOM 968 OG SER A 485 12.375 -14.015 -23.342 1.00 0.00 O ATOM 0 H SER A 485 12.403 -13.219 -20.612 1.00 0.00 H new ATOM 0 HA SER A 485 10.783 -11.329 -22.151 1.00 0.00 H new ATOM 0 HB2 SER A 485 11.016 -12.714 -24.184 1.00 0.00 H new ATOM 0 HB3 SER A 485 12.552 -11.999 -23.736 1.00 0.00 H new ATOM 0 HG SER A 485 12.744 -14.266 -24.214 1.00 0.00 H new ATOM 974 N SER A 486 9.008 -13.309 -22.390 1.00 0.00 N ATOM 975 CA SER A 486 7.877 -14.181 -22.107 1.00 0.00 C ATOM 976 C SER A 486 8.321 -15.639 -22.088 1.00 0.00 C ATOM 977 O SER A 486 8.940 -16.069 -23.085 1.00 0.00 O ATOM 978 CB SER A 486 6.787 -13.971 -23.160 1.00 0.00 C ATOM 979 OG SER A 486 6.379 -12.619 -23.161 1.00 0.00 O ATOM 980 OXT SER A 486 8.038 -16.310 -21.070 1.00 0.00 O ATOM 0 H SER A 486 8.875 -12.715 -23.208 1.00 0.00 H new ATOM 0 HA SER A 486 7.475 -13.932 -21.125 1.00 0.00 H new ATOM 0 HB2 SER A 486 7.162 -14.248 -24.145 1.00 0.00 H new ATOM 0 HB3 SER A 486 5.935 -14.618 -22.949 1.00 0.00 H new ATOM 0 HG SER A 486 5.682 -12.488 -23.838 1.00 0.00 H new TER 986 SER A 486 HETATM 987 ZN ZN A 501 0.673 -5.167 5.334 1.00 0.00 ZN HETATM 988 ZN ZN A 502 2.528 3.368 -2.871 1.00 0.00 ZN