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 180:sc= 0 USER MOD Single : A 436 HIS : no HD1:sc= -0.157 K(o=-0.16,f=-1) USER MOD Single : A 439 SER OG : rot 180:sc=-0.00521 USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 441 GLN : amide:sc= 0.887 K(o=0.89,f=-0.095) 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 -86:sc= 0.0828 USER MOD Single : A 462 HIS : no HD1:sc=-0.00385 X(o=-0.0039,f=-0.084) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 MET CE :methyl 162:sc= -0.0262 (180deg=-0.379) USER MOD Single : A 472 HIS : no HD1:sc= -0.718 K(o=-0.72,f=-3.5!) USER MOD Single : A 474 SER OG : rot 180:sc= 0 USER MOD Single : A 477 MET CE :methyl -168:sc= -0.0281 (180deg=-0.245) USER MOD Single : A 479 ASN : amide:sc= 0.245 K(o=0.24,f=-4!) USER MOD Single : A 480 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.4) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 ASN : amide:sc= 0.243 K(o=0.24,f=-4.1!) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 45:sc= 0.543 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 426 18.683 -21.410 -5.517 1.00 0.00 N ATOM 2 CA ILE A 426 17.307 -21.943 -5.622 1.00 0.00 C ATOM 3 C ILE A 426 16.299 -20.801 -5.740 1.00 0.00 C ATOM 4 O ILE A 426 15.630 -20.675 -6.764 1.00 0.00 O ATOM 5 CB ILE A 426 16.970 -22.865 -4.441 1.00 0.00 C ATOM 6 CG1 ILE A 426 17.964 -24.036 -4.393 1.00 0.00 C ATOM 7 CG2 ILE A 426 15.539 -23.388 -4.581 1.00 0.00 C ATOM 8 CD1 ILE A 426 17.696 -24.966 -3.207 1.00 0.00 C ATOM 0 HA ILE A 426 17.247 -22.546 -6.528 1.00 0.00 H new ATOM 0 HB ILE A 426 17.047 -22.301 -3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 426 17.900 -24.604 -5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 426 18.980 -23.647 -4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 426 15.306 -24.041 -3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 426 14.844 -22.548 -4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 426 15.446 -23.947 -5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 426 18.421 -25.780 -3.211 1.00 0.00 H new ATOM 0 HD12 ILE A 426 17.786 -24.405 -2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 426 16.690 -25.377 -3.287 1.00 0.00 H new ATOM 22 N ASP A 427 16.185 -19.970 -4.699 1.00 0.00 N ATOM 23 CA ASP A 427 15.260 -18.844 -4.679 1.00 0.00 C ATOM 24 C ASP A 427 15.864 -17.701 -3.854 1.00 0.00 C ATOM 25 O ASP A 427 16.531 -17.969 -2.852 1.00 0.00 O ATOM 26 CB ASP A 427 13.928 -19.323 -4.091 1.00 0.00 C ATOM 27 CG ASP A 427 12.824 -18.281 -4.239 1.00 0.00 C ATOM 28 OD1 ASP A 427 12.388 -18.074 -5.392 1.00 0.00 O ATOM 29 OD2 ASP A 427 12.427 -17.707 -3.201 1.00 0.00 O ATOM 0 H ASP A 427 16.736 -20.064 -3.846 1.00 0.00 H new ATOM 0 HA ASP A 427 15.083 -18.467 -5.686 1.00 0.00 H new ATOM 0 HB2 ASP A 427 13.624 -20.245 -4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 427 14.063 -19.559 -3.036 1.00 0.00 H new ATOM 34 N PRO A 428 15.654 -16.436 -4.239 1.00 0.00 N ATOM 35 CA PRO A 428 16.198 -15.279 -3.536 1.00 0.00 C ATOM 36 C PRO A 428 15.794 -15.231 -2.062 1.00 0.00 C ATOM 37 O PRO A 428 14.753 -15.759 -1.678 1.00 0.00 O ATOM 38 CB PRO A 428 15.661 -14.054 -4.278 1.00 0.00 C ATOM 39 CG PRO A 428 15.398 -14.586 -5.685 1.00 0.00 C ATOM 40 CD PRO A 428 14.912 -16.007 -5.408 1.00 0.00 C ATOM 0 HA PRO A 428 17.287 -15.322 -3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 428 14.751 -13.670 -3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 428 16.384 -13.238 -4.285 1.00 0.00 H new ATOM 0 HG2 PRO A 428 14.648 -13.995 -6.210 1.00 0.00 H new ATOM 0 HG3 PRO A 428 16.299 -14.576 -6.299 1.00 0.00 H new ATOM 0 HD2 PRO A 428 13.838 -16.028 -5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 428 15.102 -16.662 -6.258 1.00 0.00 H new ATOM 48 N TYR A 429 16.628 -14.592 -1.238 1.00 0.00 N ATOM 49 CA TYR A 429 16.367 -14.461 0.186 1.00 0.00 C ATOM 50 C TYR A 429 15.443 -13.281 0.476 1.00 0.00 C ATOM 51 O TYR A 429 15.009 -13.097 1.613 1.00 0.00 O ATOM 52 CB TYR A 429 17.700 -14.315 0.929 1.00 0.00 C ATOM 53 CG TYR A 429 18.495 -13.092 0.528 1.00 0.00 C ATOM 54 CD1 TYR A 429 18.247 -11.859 1.154 1.00 0.00 C ATOM 55 CD2 TYR A 429 19.482 -13.187 -0.461 1.00 0.00 C ATOM 56 CE1 TYR A 429 18.973 -10.717 0.787 1.00 0.00 C ATOM 57 CE2 TYR A 429 20.217 -12.056 -0.831 1.00 0.00 C ATOM 58 CZ TYR A 429 19.965 -10.813 -0.210 1.00 0.00 C ATOM 59 OH TYR A 429 20.679 -9.709 -0.570 1.00 0.00 O ATOM 0 H TYR A 429 17.498 -14.155 -1.543 1.00 0.00 H new ATOM 0 HA TYR A 429 15.856 -15.357 0.537 1.00 0.00 H new ATOM 0 HB2 TYR A 429 17.505 -14.274 2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 429 18.304 -15.204 0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 429 17.492 -11.790 1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 429 19.676 -14.136 -0.939 1.00 0.00 H new ATOM 0 HE1 TYR A 429 18.773 -9.769 1.265 1.00 0.00 H new ATOM 0 HE2 TYR A 429 20.979 -12.133 -1.593 1.00 0.00 H new ATOM 0 HH TYR A 429 21.322 -9.949 -1.269 1.00 0.00 H new ATOM 69 N LEU A 430 15.140 -12.472 -0.542 1.00 0.00 N ATOM 70 CA LEU A 430 14.278 -11.313 -0.393 1.00 0.00 C ATOM 71 C LEU A 430 12.810 -11.745 -0.312 1.00 0.00 C ATOM 72 O LEU A 430 11.951 -10.955 0.074 1.00 0.00 O ATOM 73 CB LEU A 430 14.540 -10.370 -1.576 1.00 0.00 C ATOM 74 CG LEU A 430 13.756 -9.058 -1.505 1.00 0.00 C ATOM 75 CD1 LEU A 430 14.041 -8.299 -0.208 1.00 0.00 C ATOM 76 CD2 LEU A 430 14.165 -8.190 -2.690 1.00 0.00 C ATOM 0 H LEU A 430 15.489 -12.608 -1.491 1.00 0.00 H new ATOM 0 HA LEU A 430 14.497 -10.786 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 430 15.605 -10.144 -1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 430 14.285 -10.885 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 430 12.691 -9.287 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 430 13.466 -7.373 -0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 430 13.756 -8.916 0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 430 15.104 -8.067 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 430 13.617 -7.249 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 430 15.235 -7.988 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 430 13.936 -8.712 -3.619 1.00 0.00 H new ATOM 88 N GLU A 431 12.518 -13.000 -0.670 1.00 0.00 N ATOM 89 CA GLU A 431 11.166 -13.539 -0.624 1.00 0.00 C ATOM 90 C GLU A 431 10.848 -14.104 0.762 1.00 0.00 C ATOM 91 O GLU A 431 9.734 -14.571 0.998 1.00 0.00 O ATOM 92 CB GLU A 431 10.997 -14.603 -1.711 1.00 0.00 C ATOM 93 CG GLU A 431 11.280 -14.042 -3.104 1.00 0.00 C ATOM 94 CD GLU A 431 10.393 -12.849 -3.442 1.00 0.00 C ATOM 95 OE1 GLU A 431 9.180 -12.920 -3.148 1.00 0.00 O ATOM 96 OE2 GLU A 431 10.932 -11.868 -3.994 1.00 0.00 O ATOM 0 H GLU A 431 13.217 -13.666 -0.999 1.00 0.00 H new ATOM 0 HA GLU A 431 10.458 -12.733 -0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 431 11.670 -15.437 -1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 431 9.982 -14.998 -1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 431 12.326 -13.742 -3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 431 11.128 -14.826 -3.846 1.00 0.00 H new ATOM 103 N ASP A 432 11.820 -14.071 1.685 1.00 0.00 N ATOM 104 CA ASP A 432 11.652 -14.584 3.033 1.00 0.00 C ATOM 105 C ASP A 432 11.153 -13.488 3.980 1.00 0.00 C ATOM 106 O ASP A 432 10.798 -13.770 5.124 1.00 0.00 O ATOM 107 CB ASP A 432 12.980 -15.170 3.506 1.00 0.00 C ATOM 108 CG ASP A 432 12.849 -15.874 4.860 1.00 0.00 C ATOM 109 OD1 ASP A 432 12.086 -16.861 4.929 1.00 0.00 O ATOM 110 OD2 ASP A 432 13.516 -15.410 5.813 1.00 0.00 O ATOM 0 H ASP A 432 12.746 -13.683 1.506 1.00 0.00 H new ATOM 0 HA ASP A 432 10.896 -15.369 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 432 13.348 -15.878 2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 432 13.721 -14.374 3.582 1.00 0.00 H new ATOM 115 N SER A 433 11.125 -12.239 3.509 1.00 0.00 N ATOM 116 CA SER A 433 10.658 -11.110 4.296 1.00 0.00 C ATOM 117 C SER A 433 9.135 -11.032 4.271 1.00 0.00 C ATOM 118 O SER A 433 8.500 -11.512 3.331 1.00 0.00 O ATOM 119 CB SER A 433 11.263 -9.812 3.763 1.00 0.00 C ATOM 120 OG SER A 433 12.676 -9.874 3.831 1.00 0.00 O ATOM 0 H SER A 433 11.428 -11.988 2.568 1.00 0.00 H new ATOM 0 HA SER A 433 10.978 -11.251 5.328 1.00 0.00 H new ATOM 0 HB2 SER A 433 10.947 -9.650 2.733 1.00 0.00 H new ATOM 0 HB3 SER A 433 10.899 -8.965 4.345 1.00 0.00 H new ATOM 0 HG SER A 433 13.057 -9.040 3.486 1.00 0.00 H new ATOM 126 N LEU A 434 8.544 -10.424 5.305 1.00 0.00 N ATOM 127 CA LEU A 434 7.105 -10.268 5.403 1.00 0.00 C ATOM 128 C LEU A 434 6.686 -8.830 5.100 1.00 0.00 C ATOM 129 O LEU A 434 7.523 -7.960 4.857 1.00 0.00 O ATOM 130 CB LEU A 434 6.615 -10.614 6.814 1.00 0.00 C ATOM 131 CG LEU A 434 6.770 -12.056 7.294 1.00 0.00 C ATOM 132 CD1 LEU A 434 6.074 -13.032 6.351 1.00 0.00 C ATOM 133 CD2 LEU A 434 8.224 -12.458 7.491 1.00 0.00 C ATOM 0 H LEU A 434 9.057 -10.029 6.093 1.00 0.00 H new ATOM 0 HA LEU A 434 6.661 -10.945 4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 434 7.142 -9.969 7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 434 5.558 -10.354 6.873 1.00 0.00 H new ATOM 0 HG LEU A 434 6.286 -12.104 8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 434 6.203 -14.049 6.720 1.00 0.00 H new ATOM 0 HD12 LEU A 434 5.011 -12.796 6.302 1.00 0.00 H new ATOM 0 HD13 LEU A 434 6.510 -12.950 5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 434 8.273 -13.492 7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 434 8.759 -12.362 6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 434 8.683 -11.808 8.236 1.00 0.00 H new ATOM 145 N CYS A 435 5.370 -8.598 5.123 1.00 0.00 N ATOM 146 CA CYS A 435 4.773 -7.273 5.084 1.00 0.00 C ATOM 147 C CYS A 435 5.329 -6.467 6.256 1.00 0.00 C ATOM 148 O CYS A 435 5.448 -6.990 7.366 1.00 0.00 O ATOM 149 CB CYS A 435 3.257 -7.447 5.197 1.00 0.00 C ATOM 150 SG CYS A 435 2.445 -5.858 5.488 1.00 0.00 S ATOM 0 H CYS A 435 4.680 -9.348 5.170 1.00 0.00 H new ATOM 0 HA CYS A 435 5.003 -6.743 4.160 1.00 0.00 H new ATOM 0 HB2 CYS A 435 2.869 -7.896 4.283 1.00 0.00 H new ATOM 0 HB3 CYS A 435 3.025 -8.133 6.012 1.00 0.00 H new ATOM 155 N HIS A 436 5.670 -5.196 6.024 1.00 0.00 N ATOM 156 CA HIS A 436 6.292 -4.365 7.050 1.00 0.00 C ATOM 157 C HIS A 436 5.275 -3.830 8.057 1.00 0.00 C ATOM 158 O HIS A 436 5.656 -3.124 8.990 1.00 0.00 O ATOM 159 CB HIS A 436 7.074 -3.222 6.401 1.00 0.00 C ATOM 160 CG HIS A 436 8.301 -3.673 5.652 1.00 0.00 C ATOM 161 ND1 HIS A 436 9.160 -2.826 4.942 1.00 0.00 N ATOM 162 CD2 HIS A 436 8.762 -4.954 5.559 1.00 0.00 C ATOM 163 CE1 HIS A 436 10.124 -3.623 4.452 1.00 0.00 C ATOM 164 NE2 HIS A 436 9.909 -4.905 4.800 1.00 0.00 N ATOM 0 H HIS A 436 5.524 -4.723 5.132 1.00 0.00 H new ATOM 0 HA HIS A 436 6.984 -4.995 7.609 1.00 0.00 H new ATOM 0 HB2 HIS A 436 6.417 -2.688 5.715 1.00 0.00 H new ATOM 0 HB3 HIS A 436 7.372 -2.513 7.174 1.00 0.00 H new ATOM 0 HD2 HIS A 436 8.314 -5.834 5.996 1.00 0.00 H new ATOM 0 HE1 HIS A 436 10.959 -3.281 3.859 1.00 0.00 H new ATOM 0 HE2 HIS A 436 10.494 -5.701 4.546 1.00 0.00 H new ATOM 172 N ILE A 437 3.988 -4.155 7.883 1.00 0.00 N ATOM 173 CA ILE A 437 2.931 -3.694 8.777 1.00 0.00 C ATOM 174 C ILE A 437 2.157 -4.874 9.358 1.00 0.00 C ATOM 175 O ILE A 437 1.561 -4.749 10.427 1.00 0.00 O ATOM 176 CB ILE A 437 1.980 -2.789 7.986 1.00 0.00 C ATOM 177 CG1 ILE A 437 2.727 -1.634 7.309 1.00 0.00 C ATOM 178 CG2 ILE A 437 0.868 -2.230 8.880 1.00 0.00 C ATOM 179 CD1 ILE A 437 3.334 -0.643 8.303 1.00 0.00 C ATOM 0 H ILE A 437 3.656 -4.744 7.119 1.00 0.00 H new ATOM 0 HA ILE A 437 3.377 -3.142 9.605 1.00 0.00 H new ATOM 0 HB ILE A 437 1.530 -3.410 7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 437 3.520 -2.041 6.682 1.00 0.00 H new ATOM 0 HG13 ILE A 437 2.040 -1.103 6.650 1.00 0.00 H new ATOM 0 HG21 ILE A 437 0.211 -1.592 8.288 1.00 0.00 H new ATOM 0 HG22 ILE A 437 0.291 -3.053 9.301 1.00 0.00 H new ATOM 0 HG23 ILE A 437 1.309 -1.646 9.687 1.00 0.00 H new ATOM 0 HD11 ILE A 437 3.848 0.149 7.759 1.00 0.00 H new ATOM 0 HD12 ILE A 437 2.542 -0.209 8.914 1.00 0.00 H new ATOM 0 HD13 ILE A 437 4.045 -1.162 8.946 1.00 0.00 H new ATOM 191 N CYS A 438 2.166 -6.013 8.660 1.00 0.00 N ATOM 192 CA CYS A 438 1.333 -7.147 9.026 1.00 0.00 C ATOM 193 C CYS A 438 2.163 -8.354 9.457 1.00 0.00 C ATOM 194 O CYS A 438 1.666 -9.194 10.206 1.00 0.00 O ATOM 195 CB CYS A 438 0.446 -7.481 7.823 1.00 0.00 C ATOM 196 SG CYS A 438 -0.364 -5.972 7.229 1.00 0.00 S ATOM 0 H CYS A 438 2.746 -6.168 7.835 1.00 0.00 H new ATOM 0 HA CYS A 438 0.719 -6.886 9.888 1.00 0.00 H new ATOM 0 HB2 CYS A 438 1.046 -7.921 7.027 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -0.303 -8.221 8.105 1.00 0.00 H new ATOM 201 N SER A 439 3.413 -8.438 8.988 1.00 0.00 N ATOM 202 CA SER A 439 4.333 -9.534 9.295 1.00 0.00 C ATOM 203 C SER A 439 3.661 -10.910 9.263 1.00 0.00 C ATOM 204 O SER A 439 3.950 -11.769 10.095 1.00 0.00 O ATOM 205 CB SER A 439 5.100 -9.283 10.593 1.00 0.00 C ATOM 206 OG SER A 439 4.240 -8.930 11.655 1.00 0.00 O ATOM 0 H SER A 439 3.819 -7.732 8.373 1.00 0.00 H new ATOM 0 HA SER A 439 5.068 -9.553 8.491 1.00 0.00 H new ATOM 0 HB2 SER A 439 5.660 -10.179 10.862 1.00 0.00 H new ATOM 0 HB3 SER A 439 5.828 -8.487 10.436 1.00 0.00 H new ATOM 0 HG SER A 439 4.768 -8.779 12.467 1.00 0.00 H new ATOM 212 N SER A 440 2.759 -11.117 8.299 1.00 0.00 N ATOM 213 CA SER A 440 1.980 -12.339 8.175 1.00 0.00 C ATOM 214 C SER A 440 1.935 -12.855 6.739 1.00 0.00 C ATOM 215 O SER A 440 1.547 -13.998 6.511 1.00 0.00 O ATOM 216 CB SER A 440 0.557 -12.041 8.633 1.00 0.00 C ATOM 217 OG SER A 440 0.000 -11.022 7.832 1.00 0.00 O ATOM 0 H SER A 440 2.551 -10.428 7.576 1.00 0.00 H new ATOM 0 HA SER A 440 2.451 -13.108 8.787 1.00 0.00 H new ATOM 0 HB2 SER A 440 -0.052 -12.942 8.566 1.00 0.00 H new ATOM 0 HB3 SER A 440 0.559 -11.734 9.679 1.00 0.00 H new ATOM 0 HG SER A 440 -0.915 -10.836 8.129 1.00 0.00 H new ATOM 223 N GLN A 441 2.331 -12.018 5.780 1.00 0.00 N ATOM 224 CA GLN A 441 2.335 -12.351 4.363 1.00 0.00 C ATOM 225 C GLN A 441 3.679 -11.957 3.757 1.00 0.00 C ATOM 226 O GLN A 441 4.381 -11.133 4.336 1.00 0.00 O ATOM 227 CB GLN A 441 1.192 -11.615 3.656 1.00 0.00 C ATOM 228 CG GLN A 441 -0.190 -12.105 4.086 1.00 0.00 C ATOM 229 CD GLN A 441 -0.478 -13.517 3.576 1.00 0.00 C ATOM 230 OE1 GLN A 441 -0.976 -13.695 2.466 1.00 0.00 O ATOM 231 NE2 GLN A 441 -0.167 -14.533 4.374 1.00 0.00 N ATOM 0 H GLN A 441 2.663 -11.073 5.974 1.00 0.00 H new ATOM 0 HA GLN A 441 2.189 -13.424 4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 441 1.273 -10.548 3.861 1.00 0.00 H new ATOM 0 HB3 GLN A 441 1.297 -11.742 2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 441 -0.258 -12.091 5.174 1.00 0.00 H new ATOM 0 HG3 GLN A 441 -0.951 -11.421 3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 441 0.245 -14.355 5.290 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -0.340 -15.491 4.071 1.00 0.00 H new ATOM 240 N PRO A 442 4.045 -12.531 2.602 1.00 0.00 N ATOM 241 CA PRO A 442 5.331 -12.330 1.938 1.00 0.00 C ATOM 242 C PRO A 442 5.611 -10.892 1.493 1.00 0.00 C ATOM 243 O PRO A 442 6.604 -10.655 0.806 1.00 0.00 O ATOM 244 CB PRO A 442 5.312 -13.263 0.724 1.00 0.00 C ATOM 245 CG PRO A 442 4.251 -14.307 1.073 1.00 0.00 C ATOM 246 CD PRO A 442 3.241 -13.486 1.863 1.00 0.00 C ATOM 0 HA PRO A 442 6.130 -12.547 2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 442 5.056 -12.725 -0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 442 6.286 -13.724 0.560 1.00 0.00 H new ATOM 0 HG2 PRO A 442 3.807 -14.751 0.182 1.00 0.00 H new ATOM 0 HG3 PRO A 442 4.663 -15.125 1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 442 2.535 -12.983 1.202 1.00 0.00 H new ATOM 0 HD3 PRO A 442 2.656 -14.115 2.534 1.00 0.00 H new ATOM 254 N GLY A 443 4.758 -9.927 1.857 1.00 0.00 N ATOM 255 CA GLY A 443 4.906 -8.553 1.403 1.00 0.00 C ATOM 256 C GLY A 443 4.892 -8.518 -0.123 1.00 0.00 C ATOM 257 O GLY A 443 5.855 -8.054 -0.735 1.00 0.00 O ATOM 0 H GLY A 443 3.956 -10.081 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 443 4.097 -7.939 1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 443 5.839 -8.133 1.779 1.00 0.00 H new ATOM 261 N PRO A 444 3.815 -9.007 -0.752 1.00 0.00 N ATOM 262 CA PRO A 444 3.746 -9.236 -2.187 1.00 0.00 C ATOM 263 C PRO A 444 3.692 -7.934 -2.982 1.00 0.00 C ATOM 264 O PRO A 444 3.831 -7.971 -4.204 1.00 0.00 O ATOM 265 CB PRO A 444 2.471 -10.048 -2.392 1.00 0.00 C ATOM 266 CG PRO A 444 1.574 -9.558 -1.258 1.00 0.00 C ATOM 267 CD PRO A 444 2.570 -9.390 -0.114 1.00 0.00 C ATOM 0 HA PRO A 444 4.636 -9.753 -2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 444 2.026 -9.862 -3.369 1.00 0.00 H new ATOM 0 HB3 PRO A 444 2.659 -11.120 -2.326 1.00 0.00 H new ATOM 0 HG2 PRO A 444 1.077 -8.620 -1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 444 0.793 -10.278 -1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 444 2.237 -8.628 0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 444 2.684 -10.316 0.449 1.00 0.00 H new ATOM 275 N PHE A 445 3.486 -6.798 -2.311 1.00 0.00 N ATOM 276 CA PHE A 445 3.361 -5.513 -2.981 1.00 0.00 C ATOM 277 C PHE A 445 4.416 -4.524 -2.494 1.00 0.00 C ATOM 278 O PHE A 445 4.883 -4.601 -1.359 1.00 0.00 O ATOM 279 CB PHE A 445 1.950 -4.970 -2.759 1.00 0.00 C ATOM 280 CG PHE A 445 0.861 -5.919 -3.199 1.00 0.00 C ATOM 281 CD1 PHE A 445 0.773 -6.328 -4.537 1.00 0.00 C ATOM 282 CD2 PHE A 445 -0.067 -6.401 -2.265 1.00 0.00 C ATOM 283 CE1 PHE A 445 -0.240 -7.210 -4.941 1.00 0.00 C ATOM 284 CE2 PHE A 445 -1.079 -7.284 -2.668 1.00 0.00 C ATOM 285 CZ PHE A 445 -1.166 -7.691 -4.006 1.00 0.00 C ATOM 0 H PHE A 445 3.403 -6.749 -1.296 1.00 0.00 H new ATOM 0 HA PHE A 445 3.530 -5.652 -4.049 1.00 0.00 H new ATOM 0 HB2 PHE A 445 1.819 -4.745 -1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 445 1.842 -4.030 -3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 445 1.488 -5.963 -5.259 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.002 -6.091 -1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -0.306 -7.519 -5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -1.793 -7.651 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A 445 -1.944 -8.373 -4.315 1.00 0.00 H new ATOM 295 N PHE A 446 4.788 -3.590 -3.370 1.00 0.00 N ATOM 296 CA PHE A 446 5.745 -2.536 -3.074 1.00 0.00 C ATOM 297 C PHE A 446 5.383 -1.297 -3.899 1.00 0.00 C ATOM 298 O PHE A 446 4.746 -1.429 -4.942 1.00 0.00 O ATOM 299 CB PHE A 446 7.153 -3.033 -3.415 1.00 0.00 C ATOM 300 CG PHE A 446 8.265 -2.074 -3.046 1.00 0.00 C ATOM 301 CD1 PHE A 446 8.709 -1.990 -1.719 1.00 0.00 C ATOM 302 CD2 PHE A 446 8.859 -1.271 -4.032 1.00 0.00 C ATOM 303 CE1 PHE A 446 9.743 -1.111 -1.379 1.00 0.00 C ATOM 304 CE2 PHE A 446 9.895 -0.390 -3.690 1.00 0.00 C ATOM 305 CZ PHE A 446 10.338 -0.309 -2.364 1.00 0.00 C ATOM 0 H PHE A 446 4.423 -3.549 -4.321 1.00 0.00 H new ATOM 0 HA PHE A 446 5.718 -2.272 -2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 446 7.323 -3.981 -2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 446 7.204 -3.234 -4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 446 8.252 -2.605 -0.958 1.00 0.00 H new ATOM 0 HD2 PHE A 446 8.518 -1.332 -5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 446 10.084 -1.050 -0.356 1.00 0.00 H new ATOM 0 HE2 PHE A 446 10.352 0.227 -4.450 1.00 0.00 H new ATOM 0 HZ PHE A 446 11.136 0.369 -2.100 1.00 0.00 H new ATOM 315 N CYS A 447 5.782 -0.108 -3.438 1.00 0.00 N ATOM 316 CA CYS A 447 5.445 1.144 -4.096 1.00 0.00 C ATOM 317 C CYS A 447 6.696 2.008 -4.271 1.00 0.00 C ATOM 318 O CYS A 447 7.709 1.781 -3.612 1.00 0.00 O ATOM 319 CB CYS A 447 4.353 1.845 -3.284 1.00 0.00 C ATOM 320 SG CYS A 447 3.532 3.086 -4.313 1.00 0.00 S ATOM 0 H CYS A 447 6.348 0.007 -2.597 1.00 0.00 H new ATOM 0 HA CYS A 447 5.058 0.958 -5.098 1.00 0.00 H new ATOM 0 HB2 CYS A 447 3.626 1.115 -2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 447 4.788 2.318 -2.404 1.00 0.00 H new ATOM 325 N ARG A 448 6.625 3.001 -5.168 1.00 0.00 N ATOM 326 CA ARG A 448 7.790 3.771 -5.583 1.00 0.00 C ATOM 327 C ARG A 448 7.894 5.136 -4.896 1.00 0.00 C ATOM 328 O ARG A 448 8.966 5.739 -4.910 1.00 0.00 O ATOM 329 CB ARG A 448 7.750 3.898 -7.111 1.00 0.00 C ATOM 330 CG ARG A 448 8.962 4.641 -7.690 1.00 0.00 C ATOM 331 CD ARG A 448 10.278 3.983 -7.264 1.00 0.00 C ATOM 332 NE ARG A 448 11.433 4.677 -7.840 1.00 0.00 N ATOM 333 CZ ARG A 448 11.961 5.798 -7.337 1.00 0.00 C ATOM 334 NH1 ARG A 448 11.442 6.379 -6.259 1.00 0.00 N ATOM 335 NH2 ARG A 448 13.023 6.347 -7.918 1.00 0.00 N ATOM 0 H ARG A 448 5.757 3.287 -5.621 1.00 0.00 H new ATOM 0 HA ARG A 448 8.690 3.242 -5.271 1.00 0.00 H new ATOM 0 HB2 ARG A 448 7.699 2.902 -7.550 1.00 0.00 H new ATOM 0 HB3 ARG A 448 6.839 4.421 -7.402 1.00 0.00 H new ATOM 0 HG2 ARG A 448 8.896 4.655 -8.778 1.00 0.00 H new ATOM 0 HG3 ARG A 448 8.948 5.679 -7.356 1.00 0.00 H new ATOM 0 HD2 ARG A 448 10.354 3.988 -6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 448 10.284 2.940 -7.579 1.00 0.00 H new ATOM 0 HE ARG A 448 11.861 4.280 -8.677 1.00 0.00 H new ATOM 0 HH11 ARG A 448 10.627 5.970 -5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 448 11.859 7.234 -5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 448 13.433 5.913 -8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 448 13.428 7.202 -7.537 1.00 0.00 H new ATOM 349 N ASP A 449 6.813 5.635 -4.296 1.00 0.00 N ATOM 350 CA ASP A 449 6.835 6.943 -3.657 1.00 0.00 C ATOM 351 C ASP A 449 7.415 6.850 -2.247 1.00 0.00 C ATOM 352 O ASP A 449 7.378 5.794 -1.621 1.00 0.00 O ATOM 353 CB ASP A 449 5.429 7.539 -3.624 1.00 0.00 C ATOM 354 CG ASP A 449 4.973 8.035 -4.999 1.00 0.00 C ATOM 355 OD1 ASP A 449 5.388 7.433 -6.016 1.00 0.00 O ATOM 356 OD2 ASP A 449 4.206 9.024 -5.023 1.00 0.00 O ATOM 0 H ASP A 449 5.916 5.152 -4.241 1.00 0.00 H new ATOM 0 HA ASP A 449 7.478 7.601 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 449 4.727 6.788 -3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 449 5.405 8.367 -2.916 1.00 0.00 H new ATOM 361 N GLN A 450 7.950 7.971 -1.753 1.00 0.00 N ATOM 362 CA GLN A 450 8.626 8.033 -0.458 1.00 0.00 C ATOM 363 C GLN A 450 7.652 7.891 0.713 1.00 0.00 C ATOM 364 O GLN A 450 8.077 7.841 1.865 1.00 0.00 O ATOM 365 CB GLN A 450 9.383 9.355 -0.346 1.00 0.00 C ATOM 366 CG GLN A 450 10.364 9.530 -1.506 1.00 0.00 C ATOM 367 CD GLN A 450 11.193 10.796 -1.341 1.00 0.00 C ATOM 368 OE1 GLN A 450 12.353 10.739 -0.945 1.00 0.00 O ATOM 369 NE2 GLN A 450 10.609 11.954 -1.644 1.00 0.00 N ATOM 0 H GLN A 450 7.925 8.864 -2.245 1.00 0.00 H new ATOM 0 HA GLN A 450 9.320 7.194 -0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 450 8.674 10.183 -0.337 1.00 0.00 H new ATOM 0 HB3 GLN A 450 9.924 9.388 0.600 1.00 0.00 H new ATOM 0 HG2 GLN A 450 11.024 8.665 -1.561 1.00 0.00 H new ATOM 0 HG3 GLN A 450 9.815 9.572 -2.447 1.00 0.00 H new ATOM 0 HE21 GLN A 450 9.643 11.968 -1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 450 11.128 12.827 -1.549 1.00 0.00 H new ATOM 378 N VAL A 451 6.349 7.824 0.426 1.00 0.00 N ATOM 379 CA VAL A 451 5.322 7.732 1.454 1.00 0.00 C ATOM 380 C VAL A 451 4.819 6.298 1.609 1.00 0.00 C ATOM 381 O VAL A 451 4.069 6.005 2.540 1.00 0.00 O ATOM 382 CB VAL A 451 4.180 8.705 1.139 1.00 0.00 C ATOM 383 CG1 VAL A 451 4.727 10.128 1.033 1.00 0.00 C ATOM 384 CG2 VAL A 451 3.489 8.338 -0.174 1.00 0.00 C ATOM 0 H VAL A 451 5.982 7.832 -0.526 1.00 0.00 H new ATOM 0 HA VAL A 451 5.758 8.017 2.412 1.00 0.00 H new ATOM 0 HB VAL A 451 3.452 8.642 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 451 3.911 10.816 0.809 1.00 0.00 H new ATOM 0 HG12 VAL A 451 5.191 10.411 1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 451 5.469 10.174 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 451 2.684 9.045 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 451 4.212 8.375 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 451 3.078 7.331 -0.100 1.00 0.00 H new ATOM 394 N CYS A 452 5.231 5.411 0.700 1.00 0.00 N ATOM 395 CA CYS A 452 4.898 3.995 0.747 1.00 0.00 C ATOM 396 C CYS A 452 6.048 3.137 0.199 1.00 0.00 C ATOM 397 O CYS A 452 5.820 2.081 -0.391 1.00 0.00 O ATOM 398 CB CYS A 452 3.559 3.757 0.036 1.00 0.00 C ATOM 399 SG CYS A 452 3.499 4.653 -1.540 1.00 0.00 S ATOM 0 H CYS A 452 5.813 5.665 -0.098 1.00 0.00 H new ATOM 0 HA CYS A 452 4.770 3.680 1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 452 3.421 2.690 -0.141 1.00 0.00 H new ATOM 0 HB3 CYS A 452 2.739 4.083 0.676 1.00 0.00 H new ATOM 404 N PHE A 453 7.291 3.594 0.394 1.00 0.00 N ATOM 405 CA PHE A 453 8.498 2.942 -0.108 1.00 0.00 C ATOM 406 C PHE A 453 8.867 1.691 0.704 1.00 0.00 C ATOM 407 O PHE A 453 10.044 1.425 0.947 1.00 0.00 O ATOM 408 CB PHE A 453 9.646 3.953 -0.140 1.00 0.00 C ATOM 409 CG PHE A 453 10.818 3.530 -0.999 1.00 0.00 C ATOM 410 CD1 PHE A 453 10.661 3.417 -2.388 1.00 0.00 C ATOM 411 CD2 PHE A 453 12.062 3.259 -0.416 1.00 0.00 C ATOM 412 CE1 PHE A 453 11.745 3.029 -3.189 1.00 0.00 C ATOM 413 CE2 PHE A 453 13.146 2.871 -1.214 1.00 0.00 C ATOM 414 CZ PHE A 453 12.985 2.752 -2.601 1.00 0.00 C ATOM 0 H PHE A 453 7.486 4.447 0.918 1.00 0.00 H new ATOM 0 HA PHE A 453 8.302 2.593 -1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 453 9.266 4.907 -0.507 1.00 0.00 H new ATOM 0 HB3 PHE A 453 9.997 4.120 0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 453 9.704 3.629 -2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 453 12.186 3.349 0.653 1.00 0.00 H new ATOM 0 HE1 PHE A 453 11.623 2.944 -4.259 1.00 0.00 H new ATOM 0 HE2 PHE A 453 14.104 2.664 -0.761 1.00 0.00 H new ATOM 0 HZ PHE A 453 13.818 2.446 -3.217 1.00 0.00 H new ATOM 424 N LYS A 454 7.865 0.916 1.131 1.00 0.00 N ATOM 425 CA LYS A 454 8.057 -0.282 1.939 1.00 0.00 C ATOM 426 C LYS A 454 7.239 -1.436 1.372 1.00 0.00 C ATOM 427 O LYS A 454 6.375 -1.229 0.520 1.00 0.00 O ATOM 428 CB LYS A 454 7.662 0.012 3.385 1.00 0.00 C ATOM 429 CG LYS A 454 8.650 0.986 4.033 1.00 0.00 C ATOM 430 CD LYS A 454 8.290 1.190 5.504 1.00 0.00 C ATOM 431 CE LYS A 454 9.315 2.121 6.154 1.00 0.00 C ATOM 432 NZ LYS A 454 9.029 2.317 7.588 1.00 0.00 N ATOM 0 H LYS A 454 6.886 1.110 0.920 1.00 0.00 H new ATOM 0 HA LYS A 454 9.107 -0.573 1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 454 6.657 0.434 3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 454 7.634 -0.917 3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 454 9.665 0.598 3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 454 8.629 1.941 3.509 1.00 0.00 H new ATOM 0 HD2 LYS A 454 7.290 1.616 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 454 8.273 0.231 6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 454 10.315 1.704 6.034 1.00 0.00 H new ATOM 0 HE3 LYS A 454 9.308 3.085 5.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 9.741 2.953 8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 8.084 2.737 7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 9.060 1.399 8.077 1.00 0.00 H new ATOM 446 N TYR A 455 7.509 -2.659 1.843 1.00 0.00 N ATOM 447 CA TYR A 455 6.768 -3.830 1.403 1.00 0.00 C ATOM 448 C TYR A 455 5.471 -3.957 2.190 1.00 0.00 C ATOM 449 O TYR A 455 5.442 -3.716 3.396 1.00 0.00 O ATOM 450 CB TYR A 455 7.633 -5.084 1.514 1.00 0.00 C ATOM 451 CG TYR A 455 8.767 -5.104 0.518 1.00 0.00 C ATOM 452 CD1 TYR A 455 8.490 -5.322 -0.839 1.00 0.00 C ATOM 453 CD2 TYR A 455 10.088 -4.894 0.943 1.00 0.00 C ATOM 454 CE1 TYR A 455 9.530 -5.309 -1.780 1.00 0.00 C ATOM 455 CE2 TYR A 455 11.133 -4.889 0.007 1.00 0.00 C ATOM 456 CZ TYR A 455 10.856 -5.092 -1.357 1.00 0.00 C ATOM 457 OH TYR A 455 11.863 -5.073 -2.274 1.00 0.00 O ATOM 0 H TYR A 455 8.237 -2.856 2.529 1.00 0.00 H new ATOM 0 HA TYR A 455 6.504 -3.713 0.352 1.00 0.00 H new ATOM 0 HB2 TYR A 455 8.041 -5.150 2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 455 7.009 -5.965 1.364 1.00 0.00 H new ATOM 0 HD1 TYR A 455 7.474 -5.500 -1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 455 10.300 -4.736 1.990 1.00 0.00 H new ATOM 0 HE1 TYR A 455 9.315 -5.465 -2.827 1.00 0.00 H new ATOM 0 HE2 TYR A 455 12.150 -4.729 0.334 1.00 0.00 H new ATOM 0 HH TYR A 455 12.716 -4.911 -1.820 1.00 0.00 H new ATOM 467 N PHE A 456 4.400 -4.340 1.496 1.00 0.00 N ATOM 468 CA PHE A 456 3.065 -4.408 2.063 1.00 0.00 C ATOM 469 C PHE A 456 2.288 -5.589 1.491 1.00 0.00 C ATOM 470 O PHE A 456 2.723 -6.234 0.538 1.00 0.00 O ATOM 471 CB PHE A 456 2.304 -3.119 1.728 1.00 0.00 C ATOM 472 CG PHE A 456 2.906 -1.844 2.273 1.00 0.00 C ATOM 473 CD1 PHE A 456 3.036 -1.658 3.657 1.00 0.00 C ATOM 474 CD2 PHE A 456 3.331 -0.841 1.392 1.00 0.00 C ATOM 475 CE1 PHE A 456 3.581 -0.466 4.156 1.00 0.00 C ATOM 476 CE2 PHE A 456 3.880 0.349 1.892 1.00 0.00 C ATOM 477 CZ PHE A 456 3.999 0.537 3.273 1.00 0.00 C ATOM 0 H PHE A 456 4.441 -4.614 0.514 1.00 0.00 H new ATOM 0 HA PHE A 456 3.160 -4.532 3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 456 2.233 -3.032 0.644 1.00 0.00 H new ATOM 0 HB3 PHE A 456 1.286 -3.210 2.108 1.00 0.00 H new ATOM 0 HD1 PHE A 456 2.716 -2.433 4.338 1.00 0.00 H new ATOM 0 HD2 PHE A 456 3.236 -0.984 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 456 3.678 -0.322 5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 456 4.211 1.120 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 456 4.414 1.457 3.659 1.00 0.00 H new ATOM 487 N CYS A 457 1.131 -5.851 2.093 1.00 0.00 N ATOM 488 CA CYS A 457 0.164 -6.836 1.651 1.00 0.00 C ATOM 489 C CYS A 457 -1.119 -6.095 1.269 1.00 0.00 C ATOM 490 O CYS A 457 -1.177 -4.870 1.375 1.00 0.00 O ATOM 491 CB CYS A 457 -0.041 -7.874 2.757 1.00 0.00 C ATOM 492 SG CYS A 457 -0.535 -7.048 4.290 1.00 0.00 S ATOM 0 H CYS A 457 0.835 -5.359 2.936 1.00 0.00 H new ATOM 0 HA CYS A 457 0.508 -7.384 0.774 1.00 0.00 H new ATOM 0 HB2 CYS A 457 -0.805 -8.592 2.458 1.00 0.00 H new ATOM 0 HB3 CYS A 457 0.879 -8.436 2.916 1.00 0.00 H new ATOM 497 N ARG A 458 -2.156 -6.811 0.825 1.00 0.00 N ATOM 498 CA ARG A 458 -3.360 -6.161 0.311 1.00 0.00 C ATOM 499 C ARG A 458 -4.025 -5.280 1.368 1.00 0.00 C ATOM 500 O ARG A 458 -4.634 -4.266 1.026 1.00 0.00 O ATOM 501 CB ARG A 458 -4.318 -7.246 -0.187 1.00 0.00 C ATOM 502 CG ARG A 458 -5.534 -6.625 -0.875 1.00 0.00 C ATOM 503 CD ARG A 458 -6.431 -7.727 -1.442 1.00 0.00 C ATOM 504 NE ARG A 458 -7.616 -7.157 -2.091 1.00 0.00 N ATOM 505 CZ ARG A 458 -7.654 -6.719 -3.356 1.00 0.00 C ATOM 506 NH1 ARG A 458 -6.576 -6.779 -4.136 1.00 0.00 N ATOM 507 NH2 ARG A 458 -8.782 -6.215 -3.849 1.00 0.00 N ATOM 0 H ARG A 458 -2.185 -7.831 0.812 1.00 0.00 H new ATOM 0 HA ARG A 458 -3.088 -5.500 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 458 -3.798 -7.905 -0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 458 -4.644 -7.862 0.651 1.00 0.00 H new ATOM 0 HG2 ARG A 458 -6.094 -6.018 -0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 458 -5.210 -5.960 -1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 458 -5.870 -8.324 -2.161 1.00 0.00 H new ATOM 0 HD3 ARG A 458 -6.738 -8.399 -0.641 1.00 0.00 H new ATOM 0 HE ARG A 458 -8.472 -7.089 -1.540 1.00 0.00 H new ATOM 0 HH11 ARG A 458 -5.704 -7.163 -3.772 1.00 0.00 H new ATOM 0 HH12 ARG A 458 -6.623 -6.441 -5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 458 -9.616 -6.163 -3.264 1.00 0.00 H new ATOM 0 HH22 ARG A 458 -8.813 -5.881 -4.812 1.00 0.00 H new ATOM 521 N SER A 459 -3.916 -5.659 2.645 1.00 0.00 N ATOM 522 CA SER A 459 -4.611 -4.959 3.714 1.00 0.00 C ATOM 523 C SER A 459 -3.970 -3.603 4.000 1.00 0.00 C ATOM 524 O SER A 459 -4.662 -2.586 4.060 1.00 0.00 O ATOM 525 CB SER A 459 -4.602 -5.831 4.967 1.00 0.00 C ATOM 526 OG SER A 459 -5.450 -5.268 5.946 1.00 0.00 O ATOM 0 H SER A 459 -3.351 -6.449 2.957 1.00 0.00 H new ATOM 0 HA SER A 459 -5.639 -4.772 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 459 -4.934 -6.840 4.722 1.00 0.00 H new ATOM 0 HB3 SER A 459 -3.587 -5.915 5.356 1.00 0.00 H new ATOM 0 HG SER A 459 -4.951 -4.608 6.471 1.00 0.00 H new ATOM 532 N CYS A 460 -2.645 -3.580 4.174 1.00 0.00 N ATOM 533 CA CYS A 460 -1.934 -2.355 4.493 1.00 0.00 C ATOM 534 C CYS A 460 -1.612 -1.553 3.234 1.00 0.00 C ATOM 535 O CYS A 460 -1.294 -0.369 3.333 1.00 0.00 O ATOM 536 CB CYS A 460 -0.694 -2.691 5.322 1.00 0.00 C ATOM 537 SG CYS A 460 0.218 -4.024 4.517 1.00 0.00 S ATOM 0 H CYS A 460 -2.048 -4.404 4.097 1.00 0.00 H new ATOM 0 HA CYS A 460 -2.573 -1.709 5.095 1.00 0.00 H new ATOM 0 HB2 CYS A 460 -0.060 -1.810 5.423 1.00 0.00 H new ATOM 0 HB3 CYS A 460 -0.986 -2.991 6.329 1.00 0.00 H new ATOM 542 N TRP A 461 -1.693 -2.169 2.047 1.00 0.00 N ATOM 543 CA TRP A 461 -1.596 -1.409 0.816 1.00 0.00 C ATOM 544 C TRP A 461 -2.765 -0.435 0.754 1.00 0.00 C ATOM 545 O TRP A 461 -2.598 0.703 0.326 1.00 0.00 O ATOM 546 CB TRP A 461 -1.623 -2.333 -0.398 1.00 0.00 C ATOM 547 CG TRP A 461 -1.632 -1.598 -1.704 1.00 0.00 C ATOM 548 CD1 TRP A 461 -2.731 -1.156 -2.351 1.00 0.00 C ATOM 549 CD2 TRP A 461 -0.503 -1.192 -2.534 1.00 0.00 C ATOM 550 NE1 TRP A 461 -2.363 -0.482 -3.498 1.00 0.00 N ATOM 551 CE2 TRP A 461 -0.993 -0.456 -3.652 1.00 0.00 C ATOM 552 CE3 TRP A 461 0.889 -1.345 -2.431 1.00 0.00 C ATOM 553 CZ2 TRP A 461 -0.143 0.119 -4.606 1.00 0.00 C ATOM 554 CZ3 TRP A 461 1.750 -0.796 -3.393 1.00 0.00 C ATOM 555 CH2 TRP A 461 1.241 -0.059 -4.474 1.00 0.00 C ATOM 0 H TRP A 461 -1.823 -3.173 1.924 1.00 0.00 H new ATOM 0 HA TRP A 461 -0.651 -0.866 0.802 1.00 0.00 H new ATOM 0 HB2 TRP A 461 -0.754 -2.990 -0.365 1.00 0.00 H new ATOM 0 HB3 TRP A 461 -2.506 -2.970 -0.341 1.00 0.00 H new ATOM 0 HD1 TRP A 461 -3.748 -1.307 -2.020 1.00 0.00 H new ATOM 0 HE1 TRP A 461 -3.022 -0.056 -4.150 1.00 0.00 H new ATOM 0 HE3 TRP A 461 1.303 -1.894 -1.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 -0.547 0.690 -5.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 2.816 -0.942 -3.301 1.00 0.00 H new ATOM 0 HH2 TRP A 461 1.914 0.370 -5.202 1.00 0.00 H new ATOM 566 N HIS A 462 -3.951 -0.873 1.186 1.00 0.00 N ATOM 567 CA HIS A 462 -5.100 0.013 1.221 1.00 0.00 C ATOM 568 C HIS A 462 -4.947 1.029 2.348 1.00 0.00 C ATOM 569 O HIS A 462 -5.485 2.127 2.247 1.00 0.00 O ATOM 570 CB HIS A 462 -6.383 -0.803 1.393 1.00 0.00 C ATOM 571 CG HIS A 462 -6.682 -1.702 0.223 1.00 0.00 C ATOM 572 ND1 HIS A 462 -6.370 -1.430 -1.113 1.00 0.00 N ATOM 573 CD2 HIS A 462 -7.310 -2.914 0.298 1.00 0.00 C ATOM 574 CE1 HIS A 462 -6.823 -2.488 -1.803 1.00 0.00 C ATOM 575 NE2 HIS A 462 -7.387 -3.393 -0.987 1.00 0.00 N ATOM 0 H HIS A 462 -4.132 -1.823 1.510 1.00 0.00 H new ATOM 0 HA HIS A 462 -5.161 0.557 0.278 1.00 0.00 H new ATOM 0 HB2 HIS A 462 -6.301 -1.409 2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 462 -7.221 -0.122 1.541 1.00 0.00 H new ATOM 0 HD2 HIS A 462 -7.674 -3.399 1.192 1.00 0.00 H new ATOM 0 HE1 HIS A 462 -6.744 -2.597 -2.875 1.00 0.00 H new ATOM 0 HE2 HIS A 462 -7.800 -4.281 -1.272 1.00 0.00 H new ATOM 583 N TRP A 463 -4.222 0.696 3.421 1.00 0.00 N ATOM 584 CA TRP A 463 -3.977 1.652 4.495 1.00 0.00 C ATOM 585 C TRP A 463 -2.974 2.730 4.072 1.00 0.00 C ATOM 586 O TRP A 463 -2.801 3.714 4.792 1.00 0.00 O ATOM 587 CB TRP A 463 -3.489 0.923 5.749 1.00 0.00 C ATOM 588 CG TRP A 463 -4.435 -0.075 6.344 1.00 0.00 C ATOM 589 CD1 TRP A 463 -5.770 -0.129 6.137 1.00 0.00 C ATOM 590 CD2 TRP A 463 -4.137 -1.173 7.258 1.00 0.00 C ATOM 591 NE1 TRP A 463 -6.314 -1.172 6.855 1.00 0.00 N ATOM 592 CE2 TRP A 463 -5.348 -1.851 7.570 1.00 0.00 C ATOM 593 CE3 TRP A 463 -2.962 -1.657 7.863 1.00 0.00 C ATOM 594 CZ2 TRP A 463 -5.394 -2.952 8.430 1.00 0.00 C ATOM 595 CZ3 TRP A 463 -2.996 -2.760 8.728 1.00 0.00 C ATOM 596 CH2 TRP A 463 -4.204 -3.408 9.016 1.00 0.00 C ATOM 0 H TRP A 463 -3.800 -0.221 3.565 1.00 0.00 H new ATOM 0 HA TRP A 463 -4.919 2.152 4.721 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -2.558 0.411 5.507 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -3.254 1.668 6.509 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -6.327 0.545 5.503 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -7.305 -1.412 6.858 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -2.019 -1.171 7.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -6.332 -3.444 8.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -2.080 -3.114 9.177 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -4.219 -4.255 9.686 1.00 0.00 H new ATOM 607 N ARG A 464 -2.314 2.561 2.919 1.00 0.00 N ATOM 608 CA ARG A 464 -1.392 3.558 2.375 1.00 0.00 C ATOM 609 C ARG A 464 -1.881 4.138 1.051 1.00 0.00 C ATOM 610 O ARG A 464 -1.233 5.035 0.522 1.00 0.00 O ATOM 611 CB ARG A 464 -0.009 2.936 2.178 1.00 0.00 C ATOM 612 CG ARG A 464 0.687 2.636 3.508 1.00 0.00 C ATOM 613 CD ARG A 464 1.139 3.936 4.173 1.00 0.00 C ATOM 614 NE ARG A 464 1.738 3.665 5.488 1.00 0.00 N ATOM 615 CZ ARG A 464 2.920 4.128 5.907 1.00 0.00 C ATOM 616 NH1 ARG A 464 3.682 4.890 5.127 1.00 0.00 N ATOM 617 NH2 ARG A 464 3.348 3.823 7.128 1.00 0.00 N ATOM 0 H ARG A 464 -2.407 1.727 2.339 1.00 0.00 H new ATOM 0 HA ARG A 464 -1.339 4.374 3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -0.106 2.014 1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 464 0.611 3.613 1.590 1.00 0.00 H new ATOM 0 HG2 ARG A 464 0.007 2.098 4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 464 1.547 1.988 3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 464 1.863 4.444 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 464 0.288 4.607 4.287 1.00 0.00 H new ATOM 0 HE ARG A 464 1.209 3.077 6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 464 3.368 5.133 4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 464 4.580 5.232 5.469 1.00 0.00 H new ATOM 0 HH21 ARG A 464 2.776 3.239 7.738 1.00 0.00 H new ATOM 0 HH22 ARG A 464 4.249 4.173 7.455 1.00 0.00 H new ATOM 631 N HIS A 465 -2.996 3.648 0.505 1.00 0.00 N ATOM 632 CA HIS A 465 -3.474 4.106 -0.792 1.00 0.00 C ATOM 633 C HIS A 465 -4.990 4.307 -0.833 1.00 0.00 C ATOM 634 O HIS A 465 -5.565 4.434 -1.913 1.00 0.00 O ATOM 635 CB HIS A 465 -3.008 3.128 -1.875 1.00 0.00 C ATOM 636 CG HIS A 465 -1.508 2.948 -1.910 1.00 0.00 C ATOM 637 ND1 HIS A 465 -0.820 1.814 -1.552 1.00 0.00 N ATOM 638 CD2 HIS A 465 -0.577 3.868 -2.300 1.00 0.00 C ATOM 639 CE1 HIS A 465 0.490 2.043 -1.733 1.00 0.00 C ATOM 640 NE2 HIS A 465 0.698 3.285 -2.199 1.00 0.00 N ATOM 0 H HIS A 465 -3.580 2.936 0.943 1.00 0.00 H new ATOM 0 HA HIS A 465 -3.045 5.090 -0.980 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -3.480 2.160 -1.708 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -3.347 3.484 -2.848 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -1.234 0.947 -1.208 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -0.786 4.875 -2.631 1.00 0.00 H new ATOM 0 HE1 HIS A 465 1.271 1.325 -1.531 1.00 0.00 H new ATOM 648 N SER A 466 -5.647 4.343 0.330 1.00 0.00 N ATOM 649 CA SER A 466 -7.082 4.607 0.401 1.00 0.00 C ATOM 650 C SER A 466 -7.384 6.069 0.092 1.00 0.00 C ATOM 651 O SER A 466 -8.486 6.401 -0.347 1.00 0.00 O ATOM 652 CB SER A 466 -7.605 4.265 1.798 1.00 0.00 C ATOM 653 OG SER A 466 -6.873 4.984 2.772 1.00 0.00 O ATOM 0 H SER A 466 -5.204 4.192 1.236 1.00 0.00 H new ATOM 0 HA SER A 466 -7.579 3.984 -0.342 1.00 0.00 H new ATOM 0 HB2 SER A 466 -8.664 4.512 1.870 1.00 0.00 H new ATOM 0 HB3 SER A 466 -7.514 3.194 1.978 1.00 0.00 H new ATOM 0 HG SER A 466 -7.212 4.763 3.665 1.00 0.00 H new ATOM 659 N MET A 467 -6.403 6.945 0.319 1.00 0.00 N ATOM 660 CA MET A 467 -6.545 8.367 0.065 1.00 0.00 C ATOM 661 C MET A 467 -6.445 8.645 -1.430 1.00 0.00 C ATOM 662 O MET A 467 -5.695 7.979 -2.138 1.00 0.00 O ATOM 663 CB MET A 467 -5.497 9.132 0.871 1.00 0.00 C ATOM 664 CG MET A 467 -4.077 8.751 0.446 1.00 0.00 C ATOM 665 SD MET A 467 -2.777 9.354 1.551 1.00 0.00 S ATOM 666 CE MET A 467 -3.102 8.280 2.980 1.00 0.00 C ATOM 0 H MET A 467 -5.488 6.680 0.685 1.00 0.00 H new ATOM 0 HA MET A 467 -7.528 8.710 0.387 1.00 0.00 H new ATOM 0 HB2 MET A 467 -5.643 10.204 0.736 1.00 0.00 H new ATOM 0 HB3 MET A 467 -5.629 8.923 1.933 1.00 0.00 H new ATOM 0 HG2 MET A 467 -4.009 7.665 0.384 1.00 0.00 H new ATOM 0 HG3 MET A 467 -3.894 9.140 -0.556 1.00 0.00 H new ATOM 0 HE1 MET A 467 -2.229 8.268 3.632 1.00 0.00 H new ATOM 0 HE2 MET A 467 -3.962 8.659 3.532 1.00 0.00 H new ATOM 0 HE3 MET A 467 -3.310 7.267 2.634 1.00 0.00 H new ATOM 676 N GLU A 468 -7.201 9.635 -1.911 1.00 0.00 N ATOM 677 CA GLU A 468 -7.274 9.940 -3.334 1.00 0.00 C ATOM 678 C GLU A 468 -5.976 10.551 -3.860 1.00 0.00 C ATOM 679 O GLU A 468 -5.809 10.695 -5.071 1.00 0.00 O ATOM 680 CB GLU A 468 -8.447 10.891 -3.586 1.00 0.00 C ATOM 681 CG GLU A 468 -9.772 10.233 -3.204 1.00 0.00 C ATOM 682 CD GLU A 468 -10.945 11.175 -3.461 1.00 0.00 C ATOM 683 OE1 GLU A 468 -11.472 11.149 -4.597 1.00 0.00 O ATOM 684 OE2 GLU A 468 -11.310 11.913 -2.519 1.00 0.00 O ATOM 0 H GLU A 468 -7.775 10.242 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 468 -7.428 9.005 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -8.310 11.805 -3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -8.468 11.178 -4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -9.905 9.316 -3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -9.752 9.951 -2.151 1.00 0.00 H new ATOM 691 N GLY A 469 -5.055 10.913 -2.963 1.00 0.00 N ATOM 692 CA GLY A 469 -3.802 11.545 -3.340 1.00 0.00 C ATOM 693 C GLY A 469 -2.754 10.540 -3.818 1.00 0.00 C ATOM 694 O GLY A 469 -1.769 10.956 -4.423 1.00 0.00 O ATOM 0 H GLY A 469 -5.163 10.774 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 469 -3.990 12.271 -4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 469 -3.407 12.097 -2.487 1.00 0.00 H new ATOM 698 N LEU A 470 -2.947 9.238 -3.558 1.00 0.00 N ATOM 699 CA LEU A 470 -1.967 8.212 -3.909 1.00 0.00 C ATOM 700 C LEU A 470 -2.549 7.121 -4.812 1.00 0.00 C ATOM 701 O LEU A 470 -1.919 6.078 -4.990 1.00 0.00 O ATOM 702 CB LEU A 470 -1.346 7.587 -2.652 1.00 0.00 C ATOM 703 CG LEU A 470 -0.684 8.584 -1.698 1.00 0.00 C ATOM 704 CD1 LEU A 470 -0.048 7.826 -0.539 1.00 0.00 C ATOM 705 CD2 LEU A 470 0.407 9.423 -2.363 1.00 0.00 C ATOM 0 H LEU A 470 -3.783 8.873 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 470 -1.186 8.717 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 470 -2.123 7.048 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 470 -0.603 6.851 -2.959 1.00 0.00 H new ATOM 0 HG LEU A 470 -1.471 9.260 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 470 0.425 8.533 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 470 -0.816 7.266 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 470 0.703 7.136 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 470 0.835 10.109 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 470 1.188 8.766 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 470 -0.023 9.993 -3.186 1.00 0.00 H new ATOM 717 N ARG A 471 -3.737 7.331 -5.391 1.00 0.00 N ATOM 718 CA ARG A 471 -4.367 6.330 -6.251 1.00 0.00 C ATOM 719 C ARG A 471 -3.692 6.251 -7.621 1.00 0.00 C ATOM 720 O ARG A 471 -4.153 5.518 -8.498 1.00 0.00 O ATOM 721 CB ARG A 471 -5.868 6.598 -6.370 1.00 0.00 C ATOM 722 CG ARG A 471 -6.532 6.454 -5.000 1.00 0.00 C ATOM 723 CD ARG A 471 -8.049 6.601 -5.120 1.00 0.00 C ATOM 724 NE ARG A 471 -8.684 6.521 -3.799 1.00 0.00 N ATOM 725 CZ ARG A 471 -10.007 6.523 -3.597 1.00 0.00 C ATOM 726 NH1 ARG A 471 -10.855 6.582 -4.621 1.00 0.00 N ATOM 727 NH2 ARG A 471 -10.483 6.463 -2.357 1.00 0.00 N ATOM 0 H ARG A 471 -4.280 8.187 -5.278 1.00 0.00 H new ATOM 0 HA ARG A 471 -4.235 5.353 -5.785 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -6.037 7.601 -6.762 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -6.316 5.899 -7.076 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -6.288 5.482 -4.572 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -6.141 7.210 -4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -8.291 7.555 -5.588 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -8.445 5.819 -5.767 1.00 0.00 H new ATOM 0 HE ARG A 471 -8.077 6.460 -2.981 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -10.499 6.627 -5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -11.861 6.583 -4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -9.841 6.416 -1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -11.490 6.464 -2.197 1.00 0.00 H new ATOM 741 N HIS A 472 -2.603 6.999 -7.816 1.00 0.00 N ATOM 742 CA HIS A 472 -1.828 6.989 -9.047 1.00 0.00 C ATOM 743 C HIS A 472 -0.708 5.949 -8.990 1.00 0.00 C ATOM 744 O HIS A 472 0.001 5.752 -9.976 1.00 0.00 O ATOM 745 CB HIS A 472 -1.266 8.394 -9.291 1.00 0.00 C ATOM 746 CG HIS A 472 -0.310 8.835 -8.213 1.00 0.00 C ATOM 747 ND1 HIS A 472 -0.673 9.216 -6.919 1.00 0.00 N ATOM 748 CD2 HIS A 472 1.045 8.925 -8.342 1.00 0.00 C ATOM 749 CE1 HIS A 472 0.477 9.530 -6.300 1.00 0.00 C ATOM 750 NE2 HIS A 472 1.523 9.375 -7.132 1.00 0.00 N ATOM 0 H HIS A 472 -2.234 7.636 -7.110 1.00 0.00 H new ATOM 0 HA HIS A 472 -2.477 6.710 -9.877 1.00 0.00 H new ATOM 0 HB2 HIS A 472 -0.755 8.414 -10.254 1.00 0.00 H new ATOM 0 HB3 HIS A 472 -2.090 9.105 -9.352 1.00 0.00 H new ATOM 0 HD2 HIS A 472 1.628 8.690 -9.220 1.00 0.00 H new ATOM 0 HE1 HIS A 472 0.552 9.861 -5.275 1.00 0.00 H new ATOM 0 HE2 HIS A 472 2.500 9.559 -6.906 1.00 0.00 H new ATOM 758 N HIS A 473 -0.543 5.281 -7.845 1.00 0.00 N ATOM 759 CA HIS A 473 0.478 4.262 -7.657 1.00 0.00 C ATOM 760 C HIS A 473 0.074 2.947 -8.317 1.00 0.00 C ATOM 761 O HIS A 473 -1.101 2.715 -8.598 1.00 0.00 O ATOM 762 CB HIS A 473 0.704 4.038 -6.158 1.00 0.00 C ATOM 763 CG HIS A 473 1.267 5.229 -5.423 1.00 0.00 C ATOM 764 ND1 HIS A 473 1.445 5.307 -4.037 1.00 0.00 N ATOM 765 CD2 HIS A 473 1.688 6.397 -5.992 1.00 0.00 C ATOM 766 CE1 HIS A 473 1.945 6.532 -3.810 1.00 0.00 C ATOM 767 NE2 HIS A 473 2.113 7.201 -4.962 1.00 0.00 N ATOM 0 H HIS A 473 -1.122 5.438 -7.020 1.00 0.00 H new ATOM 0 HA HIS A 473 1.399 4.608 -8.125 1.00 0.00 H new ATOM 0 HB2 HIS A 473 -0.244 3.759 -5.699 1.00 0.00 H new ATOM 0 HB3 HIS A 473 1.381 3.194 -6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 473 1.687 6.641 -7.044 1.00 0.00 H new ATOM 0 HE1 HIS A 473 2.180 6.926 -2.832 1.00 0.00 H new ATOM 0 HE2 HIS A 473 2.491 8.144 -5.056 1.00 0.00 H new ATOM 775 N SER A 474 1.071 2.090 -8.560 1.00 0.00 N ATOM 776 CA SER A 474 0.868 0.747 -9.087 1.00 0.00 C ATOM 777 C SER A 474 1.804 -0.210 -8.349 1.00 0.00 C ATOM 778 O SER A 474 2.990 0.097 -8.209 1.00 0.00 O ATOM 779 CB SER A 474 1.160 0.719 -10.589 1.00 0.00 C ATOM 780 OG SER A 474 0.282 1.589 -11.276 1.00 0.00 O ATOM 0 H SER A 474 2.051 2.317 -8.393 1.00 0.00 H new ATOM 0 HA SER A 474 -0.168 0.442 -8.937 1.00 0.00 H new ATOM 0 HB2 SER A 474 2.193 1.016 -10.771 1.00 0.00 H new ATOM 0 HB3 SER A 474 1.048 -0.296 -10.969 1.00 0.00 H new ATOM 0 HG SER A 474 0.480 1.563 -12.235 1.00 0.00 H new ATOM 786 N PRO A 475 1.306 -1.360 -7.873 1.00 0.00 N ATOM 787 CA PRO A 475 2.106 -2.314 -7.126 1.00 0.00 C ATOM 788 C PRO A 475 3.267 -2.885 -7.938 1.00 0.00 C ATOM 789 O PRO A 475 3.131 -3.146 -9.132 1.00 0.00 O ATOM 790 CB PRO A 475 1.149 -3.432 -6.710 1.00 0.00 C ATOM 791 CG PRO A 475 -0.234 -2.797 -6.814 1.00 0.00 C ATOM 792 CD PRO A 475 -0.069 -1.814 -7.968 1.00 0.00 C ATOM 0 HA PRO A 475 2.566 -1.819 -6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 475 1.240 -4.299 -7.365 1.00 0.00 H new ATOM 0 HB3 PRO A 475 1.354 -3.776 -5.696 1.00 0.00 H new ATOM 0 HG2 PRO A 475 -1.005 -3.539 -7.022 1.00 0.00 H new ATOM 0 HG3 PRO A 475 -0.518 -2.292 -5.890 1.00 0.00 H new ATOM 0 HD2 PRO A 475 -0.262 -2.294 -8.927 1.00 0.00 H new ATOM 0 HD3 PRO A 475 -0.767 -0.982 -7.882 1.00 0.00 H new ATOM 800 N LEU A 476 4.412 -3.084 -7.276 1.00 0.00 N ATOM 801 CA LEU A 476 5.551 -3.797 -7.838 1.00 0.00 C ATOM 802 C LEU A 476 5.564 -5.204 -7.239 1.00 0.00 C ATOM 803 O LEU A 476 5.082 -5.408 -6.126 1.00 0.00 O ATOM 804 CB LEU A 476 6.859 -3.052 -7.555 1.00 0.00 C ATOM 805 CG LEU A 476 7.136 -1.913 -8.546 1.00 0.00 C ATOM 806 CD1 LEU A 476 6.104 -0.792 -8.461 1.00 0.00 C ATOM 807 CD2 LEU A 476 8.514 -1.321 -8.244 1.00 0.00 C ATOM 0 H LEU A 476 4.570 -2.749 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 476 5.460 -3.860 -8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 476 6.826 -2.645 -6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 476 7.687 -3.761 -7.586 1.00 0.00 H new ATOM 0 HG LEU A 476 7.087 -2.337 -9.549 1.00 0.00 H new ATOM 0 HD11 LEU A 476 6.351 -0.015 -9.184 1.00 0.00 H new ATOM 0 HD12 LEU A 476 5.114 -1.191 -8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 476 6.109 -0.368 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 476 8.723 -0.510 -8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 476 8.529 -0.935 -7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 476 9.274 -2.095 -8.350 1.00 0.00 H new ATOM 819 N MET A 477 6.116 -6.173 -7.976 1.00 0.00 N ATOM 820 CA MET A 477 6.048 -7.583 -7.605 1.00 0.00 C ATOM 821 C MET A 477 7.430 -8.220 -7.479 1.00 0.00 C ATOM 822 O MET A 477 7.545 -9.445 -7.500 1.00 0.00 O ATOM 823 CB MET A 477 5.196 -8.345 -8.625 1.00 0.00 C ATOM 824 CG MET A 477 3.820 -7.705 -8.832 1.00 0.00 C ATOM 825 SD MET A 477 2.779 -7.599 -7.354 1.00 0.00 S ATOM 826 CE MET A 477 2.564 -9.364 -6.999 1.00 0.00 C ATOM 0 H MET A 477 6.621 -5.999 -8.845 1.00 0.00 H new ATOM 0 HA MET A 477 5.583 -7.643 -6.621 1.00 0.00 H new ATOM 0 HB2 MET A 477 5.723 -8.383 -9.578 1.00 0.00 H new ATOM 0 HB3 MET A 477 5.068 -9.374 -8.290 1.00 0.00 H new ATOM 0 HG2 MET A 477 3.962 -6.699 -9.228 1.00 0.00 H new ATOM 0 HG3 MET A 477 3.285 -8.274 -9.592 1.00 0.00 H new ATOM 0 HE1 MET A 477 1.780 -9.492 -6.252 1.00 0.00 H new ATOM 0 HE2 MET A 477 2.283 -9.887 -7.913 1.00 0.00 H new ATOM 0 HE3 MET A 477 3.499 -9.775 -6.618 1.00 0.00 H new ATOM 836 N ARG A 478 8.482 -7.401 -7.353 1.00 0.00 N ATOM 837 CA ARG A 478 9.868 -7.863 -7.330 1.00 0.00 C ATOM 838 C ARG A 478 10.219 -8.727 -8.546 1.00 0.00 C ATOM 839 O ARG A 478 11.191 -9.479 -8.505 1.00 0.00 O ATOM 840 CB ARG A 478 10.194 -8.566 -6.008 1.00 0.00 C ATOM 841 CG ARG A 478 10.036 -7.622 -4.816 1.00 0.00 C ATOM 842 CD ARG A 478 10.608 -8.267 -3.552 1.00 0.00 C ATOM 843 NE ARG A 478 9.850 -9.458 -3.153 1.00 0.00 N ATOM 844 CZ ARG A 478 8.840 -9.461 -2.281 1.00 0.00 C ATOM 845 NH1 ARG A 478 8.449 -8.333 -1.692 1.00 0.00 N ATOM 846 NH2 ARG A 478 8.213 -10.596 -1.991 1.00 0.00 N ATOM 0 H ARG A 478 8.389 -6.389 -7.264 1.00 0.00 H new ATOM 0 HA ARG A 478 10.502 -6.979 -7.397 1.00 0.00 H new ATOM 0 HB2 ARG A 478 9.537 -9.427 -5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 478 11.215 -8.946 -6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 478 10.549 -6.681 -5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 478 8.982 -7.385 -4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 478 11.649 -8.540 -3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 478 10.599 -7.542 -2.738 1.00 0.00 H new ATOM 0 HE ARG A 478 10.114 -10.349 -3.573 1.00 0.00 H new ATOM 0 HH11 ARG A 478 8.923 -7.455 -1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 478 7.676 -8.346 -1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 478 8.504 -11.467 -2.435 1.00 0.00 H new ATOM 0 HH22 ARG A 478 7.441 -10.596 -1.324 1.00 0.00 H new ATOM 860 N ASN A 479 9.436 -8.622 -9.624 1.00 0.00 N ATOM 861 CA ASN A 479 9.634 -9.400 -10.837 1.00 0.00 C ATOM 862 C ASN A 479 9.170 -8.586 -12.048 1.00 0.00 C ATOM 863 O ASN A 479 8.445 -7.603 -11.894 1.00 0.00 O ATOM 864 CB ASN A 479 8.852 -10.710 -10.709 1.00 0.00 C ATOM 865 CG ASN A 479 9.250 -11.741 -11.757 1.00 0.00 C ATOM 866 OD1 ASN A 479 10.256 -11.591 -12.448 1.00 0.00 O ATOM 867 ND2 ASN A 479 8.457 -12.800 -11.881 1.00 0.00 N ATOM 0 H ASN A 479 8.640 -7.986 -9.673 1.00 0.00 H new ATOM 0 HA ASN A 479 10.689 -9.634 -10.978 1.00 0.00 H new ATOM 0 HB2 ASN A 479 9.013 -11.128 -9.715 1.00 0.00 H new ATOM 0 HB3 ASN A 479 7.786 -10.501 -10.798 1.00 0.00 H new ATOM 0 HD21 ASN A 479 8.675 -13.523 -12.567 1.00 0.00 H new ATOM 0 HD22 ASN A 479 7.631 -12.890 -11.290 1.00 0.00 H new ATOM 874 N GLN A 480 9.585 -8.992 -13.250 1.00 0.00 N ATOM 875 CA GLN A 480 9.242 -8.299 -14.483 1.00 0.00 C ATOM 876 C GLN A 480 9.037 -9.287 -15.633 1.00 0.00 C ATOM 877 O GLN A 480 9.314 -10.479 -15.495 1.00 0.00 O ATOM 878 CB GLN A 480 10.322 -7.255 -14.807 1.00 0.00 C ATOM 879 CG GLN A 480 11.746 -7.817 -14.873 1.00 0.00 C ATOM 880 CD GLN A 480 11.966 -8.744 -16.062 1.00 0.00 C ATOM 881 OE1 GLN A 480 12.192 -9.939 -15.889 1.00 0.00 O ATOM 882 NE2 GLN A 480 11.902 -8.206 -17.277 1.00 0.00 N ATOM 0 H GLN A 480 10.171 -9.815 -13.391 1.00 0.00 H new ATOM 0 HA GLN A 480 8.294 -7.778 -14.347 1.00 0.00 H new ATOM 0 HB2 GLN A 480 10.084 -6.788 -15.763 1.00 0.00 H new ATOM 0 HB3 GLN A 480 10.289 -6.470 -14.052 1.00 0.00 H new ATOM 0 HG2 GLN A 480 12.455 -6.991 -14.928 1.00 0.00 H new ATOM 0 HG3 GLN A 480 11.960 -8.360 -13.952 1.00 0.00 H new ATOM 0 HE21 GLN A 480 11.712 -7.210 -17.384 1.00 0.00 H new ATOM 0 HE22 GLN A 480 12.043 -8.790 -18.101 1.00 0.00 H new ATOM 891 N LYS A 481 8.545 -8.782 -16.770 1.00 0.00 N ATOM 892 CA LYS A 481 8.274 -9.577 -17.961 1.00 0.00 C ATOM 893 C LYS A 481 8.779 -8.847 -19.204 1.00 0.00 C ATOM 894 O LYS A 481 9.014 -7.639 -19.166 1.00 0.00 O ATOM 895 CB LYS A 481 6.764 -9.835 -18.071 1.00 0.00 C ATOM 896 CG LYS A 481 6.213 -10.697 -16.932 1.00 0.00 C ATOM 897 CD LYS A 481 6.786 -12.114 -16.972 1.00 0.00 C ATOM 898 CE LYS A 481 6.157 -12.946 -15.857 1.00 0.00 C ATOM 899 NZ LYS A 481 6.666 -14.332 -15.871 1.00 0.00 N ATOM 0 H LYS A 481 8.322 -7.793 -16.885 1.00 0.00 H new ATOM 0 HA LYS A 481 8.795 -10.532 -17.885 1.00 0.00 H new ATOM 0 HB2 LYS A 481 6.239 -8.880 -18.081 1.00 0.00 H new ATOM 0 HB3 LYS A 481 6.554 -10.324 -19.022 1.00 0.00 H new ATOM 0 HG2 LYS A 481 6.453 -10.234 -15.975 1.00 0.00 H new ATOM 0 HG3 LYS A 481 5.126 -10.741 -17.001 1.00 0.00 H new ATOM 0 HD2 LYS A 481 6.585 -12.572 -17.940 1.00 0.00 H new ATOM 0 HD3 LYS A 481 7.869 -12.084 -16.852 1.00 0.00 H new ATOM 0 HE2 LYS A 481 6.372 -12.487 -14.892 1.00 0.00 H new ATOM 0 HE3 LYS A 481 5.073 -12.953 -15.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 6.221 -14.873 -15.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 6.439 -14.776 -16.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 7.697 -14.324 -15.737 1.00 0.00 H new ATOM 913 N ASN A 482 8.942 -9.583 -20.304 1.00 0.00 N ATOM 914 CA ASN A 482 9.400 -9.014 -21.562 1.00 0.00 C ATOM 915 C ASN A 482 8.249 -8.289 -22.266 1.00 0.00 C ATOM 916 O ASN A 482 7.080 -8.535 -21.962 1.00 0.00 O ATOM 917 CB ASN A 482 9.991 -10.132 -22.426 1.00 0.00 C ATOM 918 CG ASN A 482 10.793 -9.598 -23.608 1.00 0.00 C ATOM 919 OD1 ASN A 482 11.137 -8.421 -23.661 1.00 0.00 O ATOM 920 ND2 ASN A 482 11.098 -10.466 -24.567 1.00 0.00 N ATOM 0 H ASN A 482 8.760 -10.586 -20.343 1.00 0.00 H new ATOM 0 HA ASN A 482 10.178 -8.273 -21.380 1.00 0.00 H new ATOM 0 HB2 ASN A 482 10.634 -10.761 -21.810 1.00 0.00 H new ATOM 0 HB3 ASN A 482 9.185 -10.766 -22.795 1.00 0.00 H new ATOM 0 HD21 ASN A 482 11.634 -10.161 -25.379 1.00 0.00 H new ATOM 0 HD22 ASN A 482 10.796 -11.437 -24.491 1.00 0.00 H new ATOM 927 N ARG A 483 8.579 -7.398 -23.207 1.00 0.00 N ATOM 928 CA ARG A 483 7.594 -6.618 -23.945 1.00 0.00 C ATOM 929 C ARG A 483 8.069 -6.357 -25.373 1.00 0.00 C ATOM 930 O ARG A 483 9.245 -6.538 -25.686 1.00 0.00 O ATOM 931 CB ARG A 483 7.321 -5.302 -23.210 1.00 0.00 C ATOM 932 CG ARG A 483 8.576 -4.434 -23.117 1.00 0.00 C ATOM 933 CD ARG A 483 8.251 -3.149 -22.355 1.00 0.00 C ATOM 934 NE ARG A 483 9.423 -2.268 -22.275 1.00 0.00 N ATOM 935 CZ ARG A 483 10.382 -2.369 -21.350 1.00 0.00 C ATOM 936 NH1 ARG A 483 10.329 -3.310 -20.409 1.00 0.00 N ATOM 937 NH2 ARG A 483 11.405 -1.519 -21.368 1.00 0.00 N ATOM 0 H ARG A 483 9.543 -7.201 -23.475 1.00 0.00 H new ATOM 0 HA ARG A 483 6.666 -7.186 -24.004 1.00 0.00 H new ATOM 0 HB2 ARG A 483 6.536 -4.752 -23.729 1.00 0.00 H new ATOM 0 HB3 ARG A 483 6.951 -5.515 -22.207 1.00 0.00 H new ATOM 0 HG2 ARG A 483 9.372 -4.979 -22.609 1.00 0.00 H new ATOM 0 HG3 ARG A 483 8.941 -4.195 -24.116 1.00 0.00 H new ATOM 0 HD2 ARG A 483 7.433 -2.626 -22.851 1.00 0.00 H new ATOM 0 HD3 ARG A 483 7.909 -3.396 -21.350 1.00 0.00 H new ATOM 0 HE ARG A 483 9.511 -1.529 -22.973 1.00 0.00 H new ATOM 0 HH11 ARG A 483 9.549 -3.966 -20.388 1.00 0.00 H new ATOM 0 HH12 ARG A 483 11.069 -3.374 -19.710 1.00 0.00 H new ATOM 0 HH21 ARG A 483 11.454 -0.795 -22.085 1.00 0.00 H new ATOM 0 HH22 ARG A 483 12.140 -1.591 -20.665 1.00 0.00 H new ATOM 951 N ASP A 484 7.144 -5.928 -26.234 1.00 0.00 N ATOM 952 CA ASP A 484 7.435 -5.637 -27.631 1.00 0.00 C ATOM 953 C ASP A 484 6.545 -4.496 -28.129 1.00 0.00 C ATOM 954 O ASP A 484 5.452 -4.283 -27.604 1.00 0.00 O ATOM 955 CB ASP A 484 7.202 -6.903 -28.460 1.00 0.00 C ATOM 956 CG ASP A 484 7.511 -6.678 -29.937 1.00 0.00 C ATOM 957 OD1 ASP A 484 8.516 -5.991 -30.221 1.00 0.00 O ATOM 958 OD2 ASP A 484 6.734 -7.199 -30.768 1.00 0.00 O ATOM 0 H ASP A 484 6.169 -5.773 -25.976 1.00 0.00 H new ATOM 0 HA ASP A 484 8.474 -5.324 -27.734 1.00 0.00 H new ATOM 0 HB2 ASP A 484 7.828 -7.709 -28.076 1.00 0.00 H new ATOM 0 HB3 ASP A 484 6.166 -7.224 -28.350 1.00 0.00 H new ATOM 963 N SER A 485 7.018 -3.766 -29.145 1.00 0.00 N ATOM 964 CA SER A 485 6.313 -2.613 -29.694 1.00 0.00 C ATOM 965 C SER A 485 6.455 -2.530 -31.214 1.00 0.00 C ATOM 966 O SER A 485 5.951 -1.585 -31.822 1.00 0.00 O ATOM 967 CB SER A 485 6.845 -1.331 -29.051 1.00 0.00 C ATOM 968 OG SER A 485 6.677 -1.376 -27.649 1.00 0.00 O ATOM 0 H SER A 485 7.905 -3.963 -29.608 1.00 0.00 H new ATOM 0 HA SER A 485 5.253 -2.730 -29.467 1.00 0.00 H new ATOM 0 HB2 SER A 485 7.900 -1.206 -29.293 1.00 0.00 H new ATOM 0 HB3 SER A 485 6.320 -0.467 -29.459 1.00 0.00 H new ATOM 0 HG SER A 485 7.023 -0.550 -27.251 1.00 0.00 H new ATOM 974 N SER A 486 7.137 -3.498 -31.836 1.00 0.00 N ATOM 975 CA SER A 486 7.354 -3.508 -33.280 1.00 0.00 C ATOM 976 C SER A 486 7.423 -4.939 -33.810 1.00 0.00 C ATOM 977 O SER A 486 8.524 -5.535 -33.771 1.00 0.00 O ATOM 978 CB SER A 486 8.621 -2.715 -33.619 1.00 0.00 C ATOM 979 OG SER A 486 9.719 -3.212 -32.887 1.00 0.00 O ATOM 980 OXT SER A 486 6.364 -5.432 -34.253 1.00 0.00 O ATOM 0 H SER A 486 7.552 -4.293 -31.350 1.00 0.00 H new ATOM 0 HA SER A 486 6.509 -3.026 -33.772 1.00 0.00 H new ATOM 0 HB2 SER A 486 8.826 -2.783 -34.687 1.00 0.00 H new ATOM 0 HB3 SER A 486 8.470 -1.660 -33.390 1.00 0.00 H new ATOM 0 HG SER A 486 9.716 -4.192 -32.917 1.00 0.00 H new TER 986 SER A 486 HETATM 987 ZN ZN A 501 0.451 -5.759 5.440 1.00 0.00 ZN HETATM 988 ZN ZN A 502 2.395 3.940 -2.975 1.00 0.00 ZN