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= 0.00257 USER MOD Single : A 436 HIS : no HD1:sc= -0.0938 X(o=-0.094,f=-0.098) USER MOD Single : A 439 SER OG : rot 180:sc= -0.129 USER MOD Single : A 440 SER OG : rot -25:sc= 0.0779 USER MOD Single : A 441 GLN : amide:sc= -0.0221 K(o=-0.022,f=-4.2!) USER MOD Single : A 450 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 454 LYS NZ :NH3+ -162:sc= 1.16 (180deg=0.923) USER MOD Single : A 455 TYR OH : rot 180:sc= 0.00503 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 462 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.093) USER MOD Single : A 466 SER OG : rot -115:sc= 0.0481 USER MOD Single : A 467 MET CE :methyl 161:sc= -0.066 (180deg=-0.565) USER MOD Single : A 472 HIS : no HD1:sc= -0.117 K(o=-0.12,f=-1.8!) 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= 0.554 K(o=0.55,f=0) USER MOD Single : A 480 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 426 18.764 -23.279 2.747 1.00 0.00 N ATOM 2 CA ILE A 426 18.597 -21.853 2.419 1.00 0.00 C ATOM 3 C ILE A 426 17.946 -21.124 3.591 1.00 0.00 C ATOM 4 O ILE A 426 17.075 -21.677 4.263 1.00 0.00 O ATOM 5 CB ILE A 426 17.779 -21.674 1.130 1.00 0.00 C ATOM 6 CG1 ILE A 426 18.435 -22.404 -0.050 1.00 0.00 C ATOM 7 CG2 ILE A 426 17.621 -20.186 0.794 1.00 0.00 C ATOM 8 CD1 ILE A 426 19.853 -21.911 -0.355 1.00 0.00 C ATOM 0 HA ILE A 426 19.581 -21.418 2.242 1.00 0.00 H new ATOM 0 HB ILE A 426 16.794 -22.109 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 426 18.468 -23.472 0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 426 17.815 -22.277 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 426 17.039 -20.080 -0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 426 17.107 -19.681 1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 426 18.605 -19.738 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 426 20.258 -22.468 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 426 19.824 -20.850 -0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 426 20.487 -22.064 0.518 1.00 0.00 H new ATOM 22 N ASP A 427 18.370 -19.881 3.840 1.00 0.00 N ATOM 23 CA ASP A 427 17.855 -19.079 4.941 1.00 0.00 C ATOM 24 C ASP A 427 17.865 -17.599 4.567 1.00 0.00 C ATOM 25 O ASP A 427 18.702 -17.174 3.768 1.00 0.00 O ATOM 26 CB ASP A 427 18.689 -19.334 6.200 1.00 0.00 C ATOM 27 CG ASP A 427 20.165 -18.985 6.003 1.00 0.00 C ATOM 28 OD1 ASP A 427 20.885 -19.820 5.413 1.00 0.00 O ATOM 29 OD2 ASP A 427 20.558 -17.882 6.446 1.00 0.00 O ATOM 0 H ASP A 427 19.080 -19.408 3.281 1.00 0.00 H new ATOM 0 HA ASP A 427 16.824 -19.367 5.145 1.00 0.00 H new ATOM 0 HB2 ASP A 427 18.286 -18.746 7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 427 18.601 -20.383 6.484 1.00 0.00 H new ATOM 34 N PRO A 428 16.943 -16.805 5.133 1.00 0.00 N ATOM 35 CA PRO A 428 16.831 -15.379 4.868 1.00 0.00 C ATOM 36 C PRO A 428 17.963 -14.598 5.533 1.00 0.00 C ATOM 37 O PRO A 428 18.590 -15.073 6.482 1.00 0.00 O ATOM 38 CB PRO A 428 15.471 -14.972 5.435 1.00 0.00 C ATOM 39 CG PRO A 428 15.292 -15.943 6.603 1.00 0.00 C ATOM 40 CD PRO A 428 15.921 -17.228 6.071 1.00 0.00 C ATOM 0 HA PRO A 428 16.908 -15.161 3.803 1.00 0.00 H new ATOM 0 HB2 PRO A 428 15.464 -13.934 5.767 1.00 0.00 H new ATOM 0 HB3 PRO A 428 14.676 -15.076 4.696 1.00 0.00 H new ATOM 0 HG2 PRO A 428 15.794 -15.590 7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 428 14.241 -16.082 6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 428 16.352 -17.817 6.880 1.00 0.00 H new ATOM 0 HD3 PRO A 428 15.176 -17.855 5.582 1.00 0.00 H new ATOM 48 N TYR A 429 18.220 -13.387 5.028 1.00 0.00 N ATOM 49 CA TYR A 429 19.265 -12.508 5.543 1.00 0.00 C ATOM 50 C TYR A 429 18.819 -11.041 5.530 1.00 0.00 C ATOM 51 O TYR A 429 19.632 -10.142 5.734 1.00 0.00 O ATOM 52 CB TYR A 429 20.548 -12.714 4.736 1.00 0.00 C ATOM 53 CG TYR A 429 20.429 -12.366 3.265 1.00 0.00 C ATOM 54 CD1 TYR A 429 19.907 -13.302 2.360 1.00 0.00 C ATOM 55 CD2 TYR A 429 20.850 -11.107 2.809 1.00 0.00 C ATOM 56 CE1 TYR A 429 19.796 -12.985 1.002 1.00 0.00 C ATOM 57 CE2 TYR A 429 20.748 -10.783 1.450 1.00 0.00 C ATOM 58 CZ TYR A 429 20.212 -11.721 0.542 1.00 0.00 C ATOM 59 OH TYR A 429 20.105 -11.411 -0.781 1.00 0.00 O ATOM 0 H TYR A 429 17.702 -12.990 4.244 1.00 0.00 H new ATOM 0 HA TYR A 429 19.462 -12.765 6.584 1.00 0.00 H new ATOM 0 HB2 TYR A 429 21.340 -12.109 5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 429 20.855 -13.756 4.826 1.00 0.00 H new ATOM 0 HD1 TYR A 429 19.589 -14.272 2.713 1.00 0.00 H new ATOM 0 HD2 TYR A 429 21.253 -10.388 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 429 19.392 -13.708 0.308 1.00 0.00 H new ATOM 0 HE2 TYR A 429 21.079 -9.817 1.098 1.00 0.00 H new ATOM 0 HH TYR A 429 20.435 -10.500 -0.931 1.00 0.00 H new ATOM 69 N LEU A 430 17.524 -10.798 5.287 1.00 0.00 N ATOM 70 CA LEU A 430 16.946 -9.459 5.229 1.00 0.00 C ATOM 71 C LEU A 430 15.709 -9.373 6.123 1.00 0.00 C ATOM 72 O LEU A 430 15.170 -10.399 6.540 1.00 0.00 O ATOM 73 CB LEU A 430 16.577 -9.117 3.781 1.00 0.00 C ATOM 74 CG LEU A 430 17.784 -9.090 2.838 1.00 0.00 C ATOM 75 CD1 LEU A 430 17.294 -8.840 1.411 1.00 0.00 C ATOM 76 CD2 LEU A 430 18.760 -7.976 3.213 1.00 0.00 C ATOM 0 H LEU A 430 16.843 -11.540 5.124 1.00 0.00 H new ATOM 0 HA LEU A 430 17.682 -8.741 5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 430 15.855 -9.847 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 430 16.086 -8.144 3.759 1.00 0.00 H new ATOM 0 HG LEU A 430 18.298 -10.048 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 430 18.146 -8.819 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 430 16.614 -9.638 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 430 16.772 -7.884 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 430 19.605 -7.985 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 430 18.253 -7.013 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 430 19.119 -8.134 4.230 1.00 0.00 H new ATOM 88 N GLU A 431 15.262 -8.148 6.413 1.00 0.00 N ATOM 89 CA GLU A 431 14.085 -7.916 7.237 1.00 0.00 C ATOM 90 C GLU A 431 13.202 -6.814 6.645 1.00 0.00 C ATOM 91 O GLU A 431 12.031 -6.690 7.005 1.00 0.00 O ATOM 92 CB GLU A 431 14.553 -7.557 8.652 1.00 0.00 C ATOM 93 CG GLU A 431 13.388 -7.478 9.641 1.00 0.00 C ATOM 94 CD GLU A 431 13.896 -7.240 11.059 1.00 0.00 C ATOM 95 OE1 GLU A 431 14.078 -6.055 11.416 1.00 0.00 O ATOM 96 OE2 GLU A 431 14.103 -8.245 11.778 1.00 0.00 O ATOM 0 H GLU A 431 15.709 -7.294 6.081 1.00 0.00 H new ATOM 0 HA GLU A 431 13.475 -8.818 7.271 1.00 0.00 H new ATOM 0 HB2 GLU A 431 15.270 -8.302 8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 431 15.074 -6.600 8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 431 12.714 -6.672 9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 431 12.813 -8.403 9.607 1.00 0.00 H new ATOM 103 N ASP A 432 13.752 -6.007 5.732 1.00 0.00 N ATOM 104 CA ASP A 432 13.013 -4.924 5.099 1.00 0.00 C ATOM 105 C ASP A 432 12.140 -5.445 3.957 1.00 0.00 C ATOM 106 O ASP A 432 11.376 -4.685 3.363 1.00 0.00 O ATOM 107 CB ASP A 432 14.006 -3.862 4.621 1.00 0.00 C ATOM 108 CG ASP A 432 13.302 -2.595 4.133 1.00 0.00 C ATOM 109 OD1 ASP A 432 12.602 -1.967 4.958 1.00 0.00 O ATOM 110 OD2 ASP A 432 13.468 -2.261 2.939 1.00 0.00 O ATOM 0 H ASP A 432 14.718 -6.090 5.416 1.00 0.00 H new ATOM 0 HA ASP A 432 12.335 -4.471 5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 432 14.685 -3.608 5.435 1.00 0.00 H new ATOM 0 HB3 ASP A 432 14.614 -4.272 3.815 1.00 0.00 H new ATOM 115 N SER A 433 12.250 -6.742 3.646 1.00 0.00 N ATOM 116 CA SER A 433 11.457 -7.381 2.607 1.00 0.00 C ATOM 117 C SER A 433 10.102 -7.837 3.153 1.00 0.00 C ATOM 118 O SER A 433 9.246 -8.290 2.390 1.00 0.00 O ATOM 119 CB SER A 433 12.238 -8.559 2.032 1.00 0.00 C ATOM 120 OG SER A 433 12.554 -9.476 3.060 1.00 0.00 O ATOM 0 H SER A 433 12.898 -7.375 4.115 1.00 0.00 H new ATOM 0 HA SER A 433 11.261 -6.660 1.814 1.00 0.00 H new ATOM 0 HB2 SER A 433 11.649 -9.054 1.260 1.00 0.00 H new ATOM 0 HB3 SER A 433 13.152 -8.203 1.557 1.00 0.00 H new ATOM 0 HG SER A 433 13.054 -10.230 2.683 1.00 0.00 H new ATOM 126 N LEU A 434 9.906 -7.718 4.467 1.00 0.00 N ATOM 127 CA LEU A 434 8.677 -8.073 5.140 1.00 0.00 C ATOM 128 C LEU A 434 7.675 -6.926 4.988 1.00 0.00 C ATOM 129 O LEU A 434 8.082 -5.786 4.760 1.00 0.00 O ATOM 130 CB LEU A 434 9.043 -8.359 6.600 1.00 0.00 C ATOM 131 CG LEU A 434 7.908 -8.932 7.440 1.00 0.00 C ATOM 132 CD1 LEU A 434 7.340 -10.216 6.843 1.00 0.00 C ATOM 133 CD2 LEU A 434 8.465 -9.261 8.823 1.00 0.00 C ATOM 0 H LEU A 434 10.622 -7.362 5.100 1.00 0.00 H new ATOM 0 HA LEU A 434 8.202 -8.957 4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 434 9.880 -9.057 6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 434 9.388 -7.434 7.062 1.00 0.00 H new ATOM 0 HG LEU A 434 7.108 -8.193 7.480 1.00 0.00 H new ATOM 0 HD11 LEU A 434 6.534 -10.586 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 434 6.952 -10.013 5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 434 8.127 -10.967 6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 434 7.672 -9.674 9.446 1.00 0.00 H new ATOM 0 HD22 LEU A 434 9.268 -9.991 8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 434 8.853 -8.353 9.284 1.00 0.00 H new ATOM 145 N CYS A 435 6.373 -7.204 5.107 1.00 0.00 N ATOM 146 CA CYS A 435 5.358 -6.164 4.988 1.00 0.00 C ATOM 147 C CYS A 435 5.650 -5.059 6.008 1.00 0.00 C ATOM 148 O CYS A 435 5.999 -5.339 7.154 1.00 0.00 O ATOM 149 CB CYS A 435 3.977 -6.789 5.165 1.00 0.00 C ATOM 150 SG CYS A 435 2.710 -5.529 4.908 1.00 0.00 S ATOM 0 H CYS A 435 6.003 -8.138 5.285 1.00 0.00 H new ATOM 0 HA CYS A 435 5.379 -5.705 4.000 1.00 0.00 H new ATOM 0 HB2 CYS A 435 3.842 -7.606 4.456 1.00 0.00 H new ATOM 0 HB3 CYS A 435 3.884 -7.215 6.164 1.00 0.00 H new ATOM 155 N HIS A 436 5.508 -3.800 5.592 1.00 0.00 N ATOM 156 CA HIS A 436 5.973 -2.660 6.373 1.00 0.00 C ATOM 157 C HIS A 436 4.985 -2.185 7.443 1.00 0.00 C ATOM 158 O HIS A 436 5.384 -1.436 8.334 1.00 0.00 O ATOM 159 CB HIS A 436 6.307 -1.525 5.404 1.00 0.00 C ATOM 160 CG HIS A 436 6.912 -0.321 6.074 1.00 0.00 C ATOM 161 ND1 HIS A 436 8.077 -0.325 6.851 1.00 0.00 N ATOM 162 CD2 HIS A 436 6.409 0.946 6.021 1.00 0.00 C ATOM 163 CE1 HIS A 436 8.237 0.948 7.249 1.00 0.00 C ATOM 164 NE2 HIS A 436 7.256 1.731 6.767 1.00 0.00 N ATOM 0 H HIS A 436 5.069 -3.545 4.707 1.00 0.00 H new ATOM 0 HA HIS A 436 6.854 -2.980 6.929 1.00 0.00 H new ATOM 0 HB2 HIS A 436 6.999 -1.896 4.648 1.00 0.00 H new ATOM 0 HB3 HIS A 436 5.398 -1.223 4.884 1.00 0.00 H new ATOM 0 HD2 HIS A 436 5.521 1.268 5.497 1.00 0.00 H new ATOM 0 HE1 HIS A 436 9.046 1.296 7.873 1.00 0.00 H new ATOM 0 HE2 HIS A 436 7.157 2.734 6.927 1.00 0.00 H new ATOM 172 N ILE A 437 3.714 -2.595 7.379 1.00 0.00 N ATOM 173 CA ILE A 437 2.701 -2.079 8.302 1.00 0.00 C ATOM 174 C ILE A 437 2.140 -3.171 9.208 1.00 0.00 C ATOM 175 O ILE A 437 1.660 -2.876 10.302 1.00 0.00 O ATOM 176 CB ILE A 437 1.576 -1.428 7.490 1.00 0.00 C ATOM 177 CG1 ILE A 437 2.102 -0.360 6.520 1.00 0.00 C ATOM 178 CG2 ILE A 437 0.532 -0.797 8.418 1.00 0.00 C ATOM 179 CD1 ILE A 437 2.800 0.807 7.222 1.00 0.00 C ATOM 0 H ILE A 437 3.366 -3.276 6.704 1.00 0.00 H new ATOM 0 HA ILE A 437 3.171 -1.341 8.952 1.00 0.00 H new ATOM 0 HB ILE A 437 1.115 -2.223 6.903 1.00 0.00 H new ATOM 0 HG12 ILE A 437 2.799 -0.825 5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 437 1.271 0.025 5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 437 -0.257 -0.341 7.821 1.00 0.00 H new ATOM 0 HG22 ILE A 437 0.103 -1.567 9.059 1.00 0.00 H new ATOM 0 HG23 ILE A 437 1.007 -0.034 9.035 1.00 0.00 H new ATOM 0 HD11 ILE A 437 3.147 1.524 6.478 1.00 0.00 H new ATOM 0 HD12 ILE A 437 2.099 1.296 7.899 1.00 0.00 H new ATOM 0 HD13 ILE A 437 3.652 0.433 7.790 1.00 0.00 H new ATOM 191 N CYS A 438 2.199 -4.433 8.765 1.00 0.00 N ATOM 192 CA CYS A 438 1.626 -5.544 9.512 1.00 0.00 C ATOM 193 C CYS A 438 2.585 -6.733 9.613 1.00 0.00 C ATOM 194 O CYS A 438 2.395 -7.591 10.475 1.00 0.00 O ATOM 195 CB CYS A 438 0.302 -5.935 8.850 1.00 0.00 C ATOM 196 SG CYS A 438 0.537 -6.125 7.064 1.00 0.00 S ATOM 0 H CYS A 438 2.642 -4.704 7.887 1.00 0.00 H new ATOM 0 HA CYS A 438 1.445 -5.229 10.540 1.00 0.00 H new ATOM 0 HB2 CYS A 438 -0.067 -6.867 9.278 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -0.452 -5.173 9.047 1.00 0.00 H new ATOM 201 N SER A 439 3.606 -6.785 8.747 1.00 0.00 N ATOM 202 CA SER A 439 4.641 -7.817 8.756 1.00 0.00 C ATOM 203 C SER A 439 4.091 -9.235 8.940 1.00 0.00 C ATOM 204 O SER A 439 4.765 -10.091 9.505 1.00 0.00 O ATOM 205 CB SER A 439 5.748 -7.473 9.762 1.00 0.00 C ATOM 206 OG SER A 439 5.214 -7.001 10.982 1.00 0.00 O ATOM 0 H SER A 439 3.734 -6.095 8.007 1.00 0.00 H new ATOM 0 HA SER A 439 5.088 -7.823 7.762 1.00 0.00 H new ATOM 0 HB2 SER A 439 6.358 -8.357 9.949 1.00 0.00 H new ATOM 0 HB3 SER A 439 6.406 -6.716 9.335 1.00 0.00 H new ATOM 0 HG SER A 439 5.945 -6.793 11.600 1.00 0.00 H new ATOM 212 N SER A 440 2.866 -9.489 8.468 1.00 0.00 N ATOM 213 CA SER A 440 2.228 -10.790 8.620 1.00 0.00 C ATOM 214 C SER A 440 2.617 -11.738 7.486 1.00 0.00 C ATOM 215 O SER A 440 2.442 -12.950 7.596 1.00 0.00 O ATOM 216 CB SER A 440 0.716 -10.579 8.653 1.00 0.00 C ATOM 217 OG SER A 440 0.056 -11.776 9.007 1.00 0.00 O ATOM 0 H SER A 440 2.297 -8.801 7.974 1.00 0.00 H new ATOM 0 HA SER A 440 2.563 -11.253 9.548 1.00 0.00 H new ATOM 0 HB2 SER A 440 0.468 -9.795 9.369 1.00 0.00 H new ATOM 0 HB3 SER A 440 0.369 -10.241 7.677 1.00 0.00 H new ATOM 0 HG SER A 440 0.620 -12.542 8.772 1.00 0.00 H new ATOM 223 N GLN A 441 3.148 -11.183 6.395 1.00 0.00 N ATOM 224 CA GLN A 441 3.561 -11.937 5.220 1.00 0.00 C ATOM 225 C GLN A 441 4.703 -11.201 4.517 1.00 0.00 C ATOM 226 O GLN A 441 4.835 -9.987 4.687 1.00 0.00 O ATOM 227 CB GLN A 441 2.345 -12.152 4.313 1.00 0.00 C ATOM 228 CG GLN A 441 1.639 -10.847 3.943 1.00 0.00 C ATOM 229 CD GLN A 441 0.332 -11.141 3.216 1.00 0.00 C ATOM 230 OE1 GLN A 441 0.239 -10.992 1.999 1.00 0.00 O ATOM 231 NE2 GLN A 441 -0.689 -11.567 3.957 1.00 0.00 N ATOM 0 H GLN A 441 3.304 -10.179 6.306 1.00 0.00 H new ATOM 0 HA GLN A 441 3.940 -12.920 5.500 1.00 0.00 H new ATOM 0 HB2 GLN A 441 2.663 -12.658 3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 441 1.637 -12.813 4.814 1.00 0.00 H new ATOM 0 HG2 GLN A 441 1.440 -10.265 4.843 1.00 0.00 H new ATOM 0 HG3 GLN A 441 2.287 -10.242 3.310 1.00 0.00 H new ATOM 0 HE21 GLN A 441 -0.576 -11.679 4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -1.584 -11.781 3.517 1.00 0.00 H new ATOM 240 N PRO A 442 5.534 -11.907 3.733 1.00 0.00 N ATOM 241 CA PRO A 442 6.739 -11.379 3.102 1.00 0.00 C ATOM 242 C PRO A 442 6.465 -10.361 1.992 1.00 0.00 C ATOM 243 O PRO A 442 7.322 -10.148 1.137 1.00 0.00 O ATOM 244 CB PRO A 442 7.493 -12.605 2.587 1.00 0.00 C ATOM 245 CG PRO A 442 6.369 -13.590 2.282 1.00 0.00 C ATOM 246 CD PRO A 442 5.384 -13.318 3.416 1.00 0.00 C ATOM 0 HA PRO A 442 7.325 -10.808 3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 442 8.081 -12.374 1.699 1.00 0.00 H new ATOM 0 HB3 PRO A 442 8.184 -12.998 3.333 1.00 0.00 H new ATOM 0 HG2 PRO A 442 5.924 -13.409 1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 442 6.720 -14.622 2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 442 4.362 -13.545 3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 442 5.603 -13.940 4.284 1.00 0.00 H new ATOM 254 N GLY A 443 5.285 -9.736 1.997 1.00 0.00 N ATOM 255 CA GLY A 443 4.909 -8.689 1.054 1.00 0.00 C ATOM 256 C GLY A 443 4.760 -9.215 -0.371 1.00 0.00 C ATOM 257 O GLY A 443 5.745 -9.298 -1.105 1.00 0.00 O ATOM 0 H GLY A 443 4.551 -9.951 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 443 3.969 -8.238 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 443 5.662 -7.901 1.071 1.00 0.00 H new ATOM 261 N PRO A 444 3.536 -9.578 -0.787 1.00 0.00 N ATOM 262 CA PRO A 444 3.250 -10.029 -2.137 1.00 0.00 C ATOM 263 C PRO A 444 3.257 -8.864 -3.126 1.00 0.00 C ATOM 264 O PRO A 444 3.210 -9.083 -4.336 1.00 0.00 O ATOM 265 CB PRO A 444 1.864 -10.665 -2.048 1.00 0.00 C ATOM 266 CG PRO A 444 1.190 -9.827 -0.965 1.00 0.00 C ATOM 267 CD PRO A 444 2.328 -9.577 0.019 1.00 0.00 C ATOM 0 HA PRO A 444 4.002 -10.729 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 444 1.330 -10.610 -2.996 1.00 0.00 H new ATOM 0 HB3 PRO A 444 1.917 -11.718 -1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 444 0.788 -8.896 -1.365 1.00 0.00 H new ATOM 0 HG3 PRO A 444 0.360 -10.359 -0.499 1.00 0.00 H new ATOM 0 HD2 PRO A 444 2.200 -8.626 0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 444 2.364 -10.353 0.784 1.00 0.00 H new ATOM 275 N PHE A 445 3.312 -7.627 -2.618 1.00 0.00 N ATOM 276 CA PHE A 445 3.318 -6.428 -3.440 1.00 0.00 C ATOM 277 C PHE A 445 4.397 -5.450 -2.975 1.00 0.00 C ATOM 278 O PHE A 445 4.888 -5.533 -1.849 1.00 0.00 O ATOM 279 CB PHE A 445 1.945 -5.757 -3.397 1.00 0.00 C ATOM 280 CG PHE A 445 0.808 -6.626 -3.880 1.00 0.00 C ATOM 281 CD1 PHE A 445 0.744 -7.014 -5.226 1.00 0.00 C ATOM 282 CD2 PHE A 445 -0.185 -7.046 -2.981 1.00 0.00 C ATOM 283 CE1 PHE A 445 -0.314 -7.819 -5.675 1.00 0.00 C ATOM 284 CE2 PHE A 445 -1.239 -7.855 -3.429 1.00 0.00 C ATOM 285 CZ PHE A 445 -1.304 -8.241 -4.776 1.00 0.00 C ATOM 0 H PHE A 445 3.354 -7.437 -1.617 1.00 0.00 H new ATOM 0 HA PHE A 445 3.543 -6.718 -4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 445 1.738 -5.446 -2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 445 1.978 -4.852 -4.004 1.00 0.00 H new ATOM 0 HD1 PHE A 445 1.509 -6.693 -5.917 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.137 -6.746 -1.945 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -0.366 -8.114 -6.713 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.001 -8.181 -2.737 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.117 -8.863 -5.121 1.00 0.00 H new ATOM 295 N PHE A 446 4.758 -4.517 -3.858 1.00 0.00 N ATOM 296 CA PHE A 446 5.727 -3.472 -3.583 1.00 0.00 C ATOM 297 C PHE A 446 5.264 -2.174 -4.236 1.00 0.00 C ATOM 298 O PHE A 446 4.519 -2.203 -5.217 1.00 0.00 O ATOM 299 CB PHE A 446 7.097 -3.906 -4.113 1.00 0.00 C ATOM 300 CG PHE A 446 8.199 -2.886 -3.919 1.00 0.00 C ATOM 301 CD1 PHE A 446 8.435 -1.908 -4.898 1.00 0.00 C ATOM 302 CD2 PHE A 446 8.994 -2.918 -2.766 1.00 0.00 C ATOM 303 CE1 PHE A 446 9.469 -0.978 -4.732 1.00 0.00 C ATOM 304 CE2 PHE A 446 10.028 -1.988 -2.596 1.00 0.00 C ATOM 305 CZ PHE A 446 10.265 -1.016 -3.578 1.00 0.00 C ATOM 0 H PHE A 446 4.373 -4.472 -4.801 1.00 0.00 H new ATOM 0 HA PHE A 446 5.813 -3.303 -2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 446 7.387 -4.833 -3.618 1.00 0.00 H new ATOM 0 HB3 PHE A 446 7.007 -4.127 -5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 446 7.817 -1.873 -5.783 1.00 0.00 H new ATOM 0 HD2 PHE A 446 8.809 -3.662 -2.005 1.00 0.00 H new ATOM 0 HE1 PHE A 446 9.653 -0.233 -5.492 1.00 0.00 H new ATOM 0 HE2 PHE A 446 10.642 -2.020 -1.708 1.00 0.00 H new ATOM 0 HZ PHE A 446 11.060 -0.297 -3.446 1.00 0.00 H new ATOM 315 N CYS A 447 5.704 -1.040 -3.690 1.00 0.00 N ATOM 316 CA CYS A 447 5.374 0.275 -4.205 1.00 0.00 C ATOM 317 C CYS A 447 6.650 1.113 -4.246 1.00 0.00 C ATOM 318 O CYS A 447 7.408 1.137 -3.277 1.00 0.00 O ATOM 319 CB CYS A 447 4.288 0.881 -3.316 1.00 0.00 C ATOM 320 SG CYS A 447 3.715 2.449 -4.020 1.00 0.00 S ATOM 0 H CYS A 447 6.307 -1.016 -2.867 1.00 0.00 H new ATOM 0 HA CYS A 447 4.980 0.232 -5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 447 3.452 0.187 -3.224 1.00 0.00 H new ATOM 0 HB3 CYS A 447 4.678 1.045 -2.311 1.00 0.00 H new ATOM 325 N ARG A 448 6.888 1.800 -5.370 1.00 0.00 N ATOM 326 CA ARG A 448 8.152 2.483 -5.630 1.00 0.00 C ATOM 327 C ARG A 448 8.048 4.002 -5.481 1.00 0.00 C ATOM 328 O ARG A 448 8.930 4.730 -5.939 1.00 0.00 O ATOM 329 CB ARG A 448 8.662 2.047 -7.007 1.00 0.00 C ATOM 330 CG ARG A 448 10.165 2.290 -7.171 1.00 0.00 C ATOM 331 CD ARG A 448 10.633 1.734 -8.519 1.00 0.00 C ATOM 332 NE ARG A 448 12.075 1.935 -8.701 1.00 0.00 N ATOM 333 CZ ARG A 448 12.754 1.542 -9.784 1.00 0.00 C ATOM 334 NH1 ARG A 448 12.138 0.928 -10.792 1.00 0.00 N ATOM 335 NH2 ARG A 448 14.061 1.765 -9.862 1.00 0.00 N ATOM 0 H ARG A 448 6.206 1.895 -6.123 1.00 0.00 H new ATOM 0 HA ARG A 448 8.881 2.191 -4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 448 8.449 0.988 -7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 448 8.121 2.591 -7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 448 10.379 3.357 -7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 448 10.712 1.810 -6.359 1.00 0.00 H new ATOM 0 HD2 ARG A 448 10.401 0.671 -8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 448 10.089 2.224 -9.327 1.00 0.00 H new ATOM 0 HE ARG A 448 12.591 2.403 -7.956 1.00 0.00 H new ATOM 0 HH11 ARG A 448 11.135 0.751 -10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 448 12.670 0.634 -11.611 1.00 0.00 H new ATOM 0 HH21 ARG A 448 14.545 2.235 -9.097 1.00 0.00 H new ATOM 0 HH22 ARG A 448 14.581 1.466 -10.687 1.00 0.00 H new ATOM 349 N ASP A 449 6.981 4.499 -4.850 1.00 0.00 N ATOM 350 CA ASP A 449 6.798 5.936 -4.685 1.00 0.00 C ATOM 351 C ASP A 449 7.797 6.525 -3.689 1.00 0.00 C ATOM 352 O ASP A 449 8.486 5.792 -2.981 1.00 0.00 O ATOM 353 CB ASP A 449 5.376 6.237 -4.224 1.00 0.00 C ATOM 354 CG ASP A 449 4.970 7.645 -4.652 1.00 0.00 C ATOM 355 OD1 ASP A 449 4.611 7.805 -5.839 1.00 0.00 O ATOM 356 OD2 ASP A 449 5.024 8.550 -3.792 1.00 0.00 O ATOM 0 H ASP A 449 6.237 3.928 -4.449 1.00 0.00 H new ATOM 0 HA ASP A 449 6.975 6.401 -5.655 1.00 0.00 H new ATOM 0 HB2 ASP A 449 4.686 5.507 -4.648 1.00 0.00 H new ATOM 0 HB3 ASP A 449 5.310 6.145 -3.140 1.00 0.00 H new ATOM 361 N GLN A 450 7.869 7.857 -3.633 1.00 0.00 N ATOM 362 CA GLN A 450 8.750 8.559 -2.710 1.00 0.00 C ATOM 363 C GLN A 450 8.269 8.393 -1.265 1.00 0.00 C ATOM 364 O GLN A 450 9.050 8.573 -0.334 1.00 0.00 O ATOM 365 CB GLN A 450 8.806 10.031 -3.124 1.00 0.00 C ATOM 366 CG GLN A 450 9.831 10.812 -2.296 1.00 0.00 C ATOM 367 CD GLN A 450 9.957 12.261 -2.751 1.00 0.00 C ATOM 368 OE1 GLN A 450 9.280 12.702 -3.675 1.00 0.00 O ATOM 369 NE2 GLN A 450 10.836 13.021 -2.101 1.00 0.00 N ATOM 0 H GLN A 450 7.317 8.475 -4.228 1.00 0.00 H new ATOM 0 HA GLN A 450 9.754 8.136 -2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 450 9.061 10.103 -4.181 1.00 0.00 H new ATOM 0 HB3 GLN A 450 7.821 10.481 -3.003 1.00 0.00 H new ATOM 0 HG2 GLN A 450 9.541 10.787 -1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 450 10.803 10.324 -2.370 1.00 0.00 H new ATOM 0 HE21 GLN A 450 11.385 12.626 -1.337 1.00 0.00 H new ATOM 0 HE22 GLN A 450 10.961 13.998 -2.367 1.00 0.00 H new ATOM 378 N VAL A 451 6.989 8.054 -1.068 1.00 0.00 N ATOM 379 CA VAL A 451 6.440 7.834 0.270 1.00 0.00 C ATOM 380 C VAL A 451 6.335 6.346 0.598 1.00 0.00 C ATOM 381 O VAL A 451 6.258 5.993 1.774 1.00 0.00 O ATOM 382 CB VAL A 451 5.079 8.522 0.425 1.00 0.00 C ATOM 383 CG1 VAL A 451 5.172 10.025 0.160 1.00 0.00 C ATOM 384 CG2 VAL A 451 4.035 7.920 -0.513 1.00 0.00 C ATOM 0 H VAL A 451 6.315 7.926 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 451 7.133 8.281 0.983 1.00 0.00 H new ATOM 0 HB VAL A 451 4.771 8.359 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 451 4.187 10.477 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 451 5.867 10.477 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 451 5.528 10.194 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 451 3.083 8.433 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 451 4.364 8.036 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 451 3.912 6.860 -0.289 1.00 0.00 H new ATOM 394 N CYS A 452 6.330 5.472 -0.416 1.00 0.00 N ATOM 395 CA CYS A 452 6.273 4.036 -0.191 1.00 0.00 C ATOM 396 C CYS A 452 7.680 3.431 -0.141 1.00 0.00 C ATOM 397 O CYS A 452 8.238 3.239 0.938 1.00 0.00 O ATOM 398 CB CYS A 452 5.408 3.370 -1.258 1.00 0.00 C ATOM 399 SG CYS A 452 3.705 3.974 -1.154 1.00 0.00 S ATOM 0 H CYS A 452 6.365 5.742 -1.399 1.00 0.00 H new ATOM 0 HA CYS A 452 5.811 3.852 0.779 1.00 0.00 H new ATOM 0 HB2 CYS A 452 5.815 3.578 -2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 452 5.426 2.288 -1.127 1.00 0.00 H new ATOM 404 N PHE A 453 8.243 3.137 -1.317 1.00 0.00 N ATOM 405 CA PHE A 453 9.569 2.549 -1.490 1.00 0.00 C ATOM 406 C PHE A 453 9.780 1.261 -0.683 1.00 0.00 C ATOM 407 O PHE A 453 10.919 0.899 -0.389 1.00 0.00 O ATOM 408 CB PHE A 453 10.642 3.611 -1.236 1.00 0.00 C ATOM 409 CG PHE A 453 12.015 3.236 -1.746 1.00 0.00 C ATOM 410 CD1 PHE A 453 12.224 3.059 -3.121 1.00 0.00 C ATOM 411 CD2 PHE A 453 13.077 3.065 -0.848 1.00 0.00 C ATOM 412 CE1 PHE A 453 13.497 2.709 -3.595 1.00 0.00 C ATOM 413 CE2 PHE A 453 14.351 2.715 -1.320 1.00 0.00 C ATOM 414 CZ PHE A 453 14.561 2.537 -2.695 1.00 0.00 C ATOM 0 H PHE A 453 7.769 3.309 -2.204 1.00 0.00 H new ATOM 0 HA PHE A 453 9.658 2.221 -2.526 1.00 0.00 H new ATOM 0 HB2 PHE A 453 10.333 4.544 -1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 453 10.704 3.801 -0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 453 11.406 3.192 -3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 453 12.914 3.203 0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 453 13.659 2.572 -4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 453 15.168 2.583 -0.626 1.00 0.00 H new ATOM 0 HZ PHE A 453 15.541 2.268 -3.062 1.00 0.00 H new ATOM 424 N LYS A 454 8.699 0.561 -0.314 1.00 0.00 N ATOM 425 CA LYS A 454 8.782 -0.651 0.497 1.00 0.00 C ATOM 426 C LYS A 454 7.732 -1.677 0.081 1.00 0.00 C ATOM 427 O LYS A 454 6.869 -1.401 -0.752 1.00 0.00 O ATOM 428 CB LYS A 454 8.624 -0.301 1.978 1.00 0.00 C ATOM 429 CG LYS A 454 9.837 0.478 2.492 1.00 0.00 C ATOM 430 CD LYS A 454 9.738 0.654 4.007 1.00 0.00 C ATOM 431 CE LYS A 454 10.948 1.418 4.542 1.00 0.00 C ATOM 432 NZ LYS A 454 12.208 0.692 4.288 1.00 0.00 N ATOM 0 H LYS A 454 7.747 0.822 -0.571 1.00 0.00 H new ATOM 0 HA LYS A 454 9.763 -1.098 0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 454 7.720 0.291 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 454 8.501 -1.215 2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 454 10.755 -0.052 2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 454 9.887 1.453 2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 454 8.823 1.191 4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 454 9.676 -0.322 4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 454 10.994 2.401 4.074 1.00 0.00 H new ATOM 0 HE3 LYS A 454 10.831 1.580 5.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 12.954 1.064 4.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 12.070 -0.321 4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 12.489 0.821 3.295 1.00 0.00 H new ATOM 446 N TYR A 455 7.816 -2.870 0.678 1.00 0.00 N ATOM 447 CA TYR A 455 6.880 -3.957 0.435 1.00 0.00 C ATOM 448 C TYR A 455 5.647 -3.812 1.324 1.00 0.00 C ATOM 449 O TYR A 455 5.725 -3.273 2.427 1.00 0.00 O ATOM 450 CB TYR A 455 7.567 -5.303 0.674 1.00 0.00 C ATOM 451 CG TYR A 455 8.675 -5.607 -0.311 1.00 0.00 C ATOM 452 CD1 TYR A 455 8.374 -6.238 -1.527 1.00 0.00 C ATOM 453 CD2 TYR A 455 10.000 -5.257 -0.010 1.00 0.00 C ATOM 454 CE1 TYR A 455 9.397 -6.518 -2.443 1.00 0.00 C ATOM 455 CE2 TYR A 455 11.029 -5.539 -0.918 1.00 0.00 C ATOM 456 CZ TYR A 455 10.730 -6.175 -2.140 1.00 0.00 C ATOM 457 OH TYR A 455 11.726 -6.462 -3.026 1.00 0.00 O ATOM 0 H TYR A 455 8.546 -3.104 1.350 1.00 0.00 H new ATOM 0 HA TYR A 455 6.553 -3.914 -0.604 1.00 0.00 H new ATOM 0 HB2 TYR A 455 7.977 -5.317 1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 455 6.820 -6.096 0.623 1.00 0.00 H new ATOM 0 HD1 TYR A 455 7.354 -6.508 -1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 455 10.228 -4.768 0.926 1.00 0.00 H new ATOM 0 HE1 TYR A 455 9.164 -6.997 -3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 455 12.048 -5.270 -0.682 1.00 0.00 H new ATOM 0 HH TYR A 455 12.584 -6.158 -2.663 1.00 0.00 H new ATOM 467 N PHE A 456 4.508 -4.306 0.832 1.00 0.00 N ATOM 468 CA PHE A 456 3.234 -4.251 1.534 1.00 0.00 C ATOM 469 C PHE A 456 2.387 -5.462 1.156 1.00 0.00 C ATOM 470 O PHE A 456 2.766 -6.251 0.288 1.00 0.00 O ATOM 471 CB PHE A 456 2.484 -2.972 1.149 1.00 0.00 C ATOM 472 CG PHE A 456 3.187 -1.686 1.525 1.00 0.00 C ATOM 473 CD1 PHE A 456 2.970 -1.111 2.787 1.00 0.00 C ATOM 474 CD2 PHE A 456 4.047 -1.063 0.610 1.00 0.00 C ATOM 475 CE1 PHE A 456 3.620 0.082 3.134 1.00 0.00 C ATOM 476 CE2 PHE A 456 4.698 0.126 0.959 1.00 0.00 C ATOM 477 CZ PHE A 456 4.486 0.701 2.221 1.00 0.00 C ATOM 0 H PHE A 456 4.450 -4.761 -0.079 1.00 0.00 H new ATOM 0 HA PHE A 456 3.420 -4.255 2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 456 2.316 -2.976 0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 456 1.503 -2.986 1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 456 2.303 -1.587 3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 456 4.207 -1.500 -0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 456 3.454 0.524 4.105 1.00 0.00 H new ATOM 0 HE2 PHE A 456 5.365 0.602 0.255 1.00 0.00 H new ATOM 0 HZ PHE A 456 4.989 1.619 2.489 1.00 0.00 H new ATOM 487 N CYS A 457 1.235 -5.604 1.811 1.00 0.00 N ATOM 488 CA CYS A 457 0.275 -6.656 1.525 1.00 0.00 C ATOM 489 C CYS A 457 -1.086 -6.034 1.208 1.00 0.00 C ATOM 490 O CYS A 457 -1.259 -4.821 1.300 1.00 0.00 O ATOM 491 CB CYS A 457 0.224 -7.635 2.698 1.00 0.00 C ATOM 492 SG CYS A 457 -0.471 -6.831 4.161 1.00 0.00 S ATOM 0 H CYS A 457 0.944 -4.981 2.564 1.00 0.00 H new ATOM 0 HA CYS A 457 0.579 -7.225 0.647 1.00 0.00 H new ATOM 0 HB2 CYS A 457 -0.380 -8.502 2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 457 1.227 -8.001 2.918 1.00 0.00 H new ATOM 497 N ARG A 458 -2.058 -6.869 0.834 1.00 0.00 N ATOM 498 CA ARG A 458 -3.368 -6.407 0.385 1.00 0.00 C ATOM 499 C ARG A 458 -4.068 -5.508 1.409 1.00 0.00 C ATOM 500 O ARG A 458 -4.780 -4.579 1.031 1.00 0.00 O ATOM 501 CB ARG A 458 -4.237 -7.622 0.038 1.00 0.00 C ATOM 502 CG ARG A 458 -4.747 -8.414 1.250 1.00 0.00 C ATOM 503 CD ARG A 458 -3.630 -9.019 2.105 1.00 0.00 C ATOM 504 NE ARG A 458 -4.177 -9.835 3.194 1.00 0.00 N ATOM 505 CZ ARG A 458 -3.702 -9.853 4.444 1.00 0.00 C ATOM 506 NH1 ARG A 458 -2.651 -9.117 4.798 1.00 0.00 N ATOM 507 NH2 ARG A 458 -4.287 -10.618 5.359 1.00 0.00 N ATOM 0 H ARG A 458 -1.956 -7.884 0.835 1.00 0.00 H new ATOM 0 HA ARG A 458 -3.219 -5.790 -0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 458 -5.094 -7.284 -0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 458 -3.662 -8.292 -0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 458 -5.354 -7.757 1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 458 -5.399 -9.214 0.901 1.00 0.00 H new ATOM 0 HD2 ARG A 458 -2.981 -9.631 1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 458 -3.013 -8.221 2.519 1.00 0.00 H new ATOM 0 HE ARG A 458 -4.977 -10.431 2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 458 -2.190 -8.522 4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 458 -2.307 -9.148 5.758 1.00 0.00 H new ATOM 0 HH21 ARG A 458 -5.094 -11.188 5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 458 -3.929 -10.635 6.314 1.00 0.00 H new ATOM 521 N SER A 459 -3.872 -5.774 2.705 1.00 0.00 N ATOM 522 CA SER A 459 -4.577 -5.056 3.754 1.00 0.00 C ATOM 523 C SER A 459 -4.004 -3.661 3.941 1.00 0.00 C ATOM 524 O SER A 459 -4.737 -2.673 3.895 1.00 0.00 O ATOM 525 CB SER A 459 -4.453 -5.841 5.055 1.00 0.00 C ATOM 526 OG SER A 459 -5.222 -7.025 4.966 1.00 0.00 O ATOM 0 H SER A 459 -3.226 -6.486 3.046 1.00 0.00 H new ATOM 0 HA SER A 459 -5.625 -4.955 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 459 -3.408 -6.087 5.246 1.00 0.00 H new ATOM 0 HB3 SER A 459 -4.796 -5.234 5.893 1.00 0.00 H new ATOM 0 HG SER A 459 -5.141 -7.531 5.801 1.00 0.00 H new ATOM 532 N CYS A 460 -2.690 -3.573 4.148 1.00 0.00 N ATOM 533 CA CYS A 460 -2.051 -2.304 4.427 1.00 0.00 C ATOM 534 C CYS A 460 -1.830 -1.499 3.149 1.00 0.00 C ATOM 535 O CYS A 460 -1.613 -0.289 3.215 1.00 0.00 O ATOM 536 CB CYS A 460 -0.774 -2.559 5.218 1.00 0.00 C ATOM 537 SG CYS A 460 0.237 -3.807 4.388 1.00 0.00 S ATOM 0 H CYS A 460 -2.054 -4.370 4.126 1.00 0.00 H new ATOM 0 HA CYS A 460 -2.703 -1.683 5.041 1.00 0.00 H new ATOM 0 HB2 CYS A 460 -0.209 -1.632 5.320 1.00 0.00 H new ATOM 0 HB3 CYS A 460 -1.022 -2.893 6.225 1.00 0.00 H new ATOM 542 N TRP A 461 -1.889 -2.146 1.980 1.00 0.00 N ATOM 543 CA TRP A 461 -1.891 -1.409 0.732 1.00 0.00 C ATOM 544 C TRP A 461 -3.145 -0.542 0.697 1.00 0.00 C ATOM 545 O TRP A 461 -3.068 0.634 0.355 1.00 0.00 O ATOM 546 CB TRP A 461 -1.869 -2.357 -0.466 1.00 0.00 C ATOM 547 CG TRP A 461 -1.894 -1.655 -1.788 1.00 0.00 C ATOM 548 CD1 TRP A 461 -2.982 -1.095 -2.366 1.00 0.00 C ATOM 549 CD2 TRP A 461 -0.792 -1.411 -2.713 1.00 0.00 C ATOM 550 NE1 TRP A 461 -2.620 -0.490 -3.553 1.00 0.00 N ATOM 551 CE2 TRP A 461 -1.274 -0.632 -3.802 1.00 0.00 C ATOM 552 CE3 TRP A 461 0.571 -1.760 -2.731 1.00 0.00 C ATOM 553 CZ2 TRP A 461 -0.439 -0.174 -4.828 1.00 0.00 C ATOM 554 CZ3 TRP A 461 1.412 -1.338 -3.769 1.00 0.00 C ATOM 555 CH2 TRP A 461 0.916 -0.535 -4.809 1.00 0.00 C ATOM 0 H TRP A 461 -1.935 -3.160 1.881 1.00 0.00 H new ATOM 0 HA TRP A 461 -0.997 -0.788 0.672 1.00 0.00 H new ATOM 0 HB2 TRP A 461 -0.975 -2.978 -0.411 1.00 0.00 H new ATOM 0 HB3 TRP A 461 -2.726 -3.027 -0.404 1.00 0.00 H new ATOM 0 HD1 TRP A 461 -3.983 -1.118 -1.960 1.00 0.00 H new ATOM 0 HE1 TRP A 461 -3.269 0.001 -4.168 1.00 0.00 H new ATOM 0 HE3 TRP A 461 0.975 -2.363 -1.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 -0.831 0.446 -5.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 2.451 -1.633 -3.769 1.00 0.00 H new ATOM 0 HH2 TRP A 461 1.577 -0.196 -5.593 1.00 0.00 H new ATOM 566 N HIS A 462 -4.302 -1.108 1.049 1.00 0.00 N ATOM 567 CA HIS A 462 -5.544 -0.349 1.038 1.00 0.00 C ATOM 568 C HIS A 462 -5.668 0.564 2.260 1.00 0.00 C ATOM 569 O HIS A 462 -6.585 1.380 2.315 1.00 0.00 O ATOM 570 CB HIS A 462 -6.735 -1.307 0.942 1.00 0.00 C ATOM 571 CG HIS A 462 -6.789 -2.060 -0.359 1.00 0.00 C ATOM 572 ND1 HIS A 462 -6.560 -1.512 -1.625 1.00 0.00 N ATOM 573 CD2 HIS A 462 -7.075 -3.387 -0.490 1.00 0.00 C ATOM 574 CE1 HIS A 462 -6.712 -2.529 -2.488 1.00 0.00 C ATOM 575 NE2 HIS A 462 -7.019 -3.665 -1.836 1.00 0.00 N ATOM 0 H HIS A 462 -4.400 -2.080 1.342 1.00 0.00 H new ATOM 0 HA HIS A 462 -5.538 0.300 0.162 1.00 0.00 H new ATOM 0 HB2 HIS A 462 -6.686 -2.020 1.765 1.00 0.00 H new ATOM 0 HB3 HIS A 462 -7.658 -0.741 1.065 1.00 0.00 H new ATOM 0 HD2 HIS A 462 -7.301 -4.082 0.305 1.00 0.00 H new ATOM 0 HE1 HIS A 462 -6.603 -2.446 -3.559 1.00 0.00 H new ATOM 0 HE2 HIS A 462 -7.182 -4.576 -2.266 1.00 0.00 H new ATOM 583 N TRP A 463 -4.761 0.451 3.236 1.00 0.00 N ATOM 584 CA TRP A 463 -4.743 1.384 4.361 1.00 0.00 C ATOM 585 C TRP A 463 -3.961 2.654 4.030 1.00 0.00 C ATOM 586 O TRP A 463 -4.126 3.659 4.718 1.00 0.00 O ATOM 587 CB TRP A 463 -4.143 0.720 5.603 1.00 0.00 C ATOM 588 CG TRP A 463 -4.874 -0.460 6.162 1.00 0.00 C ATOM 589 CD1 TRP A 463 -6.173 -0.774 5.957 1.00 0.00 C ATOM 590 CD2 TRP A 463 -4.353 -1.503 7.038 1.00 0.00 C ATOM 591 NE1 TRP A 463 -6.486 -1.938 6.629 1.00 0.00 N ATOM 592 CE2 TRP A 463 -5.394 -2.437 7.309 1.00 0.00 C ATOM 593 CE3 TRP A 463 -3.101 -1.756 7.626 1.00 0.00 C ATOM 594 CZ2 TRP A 463 -5.197 -3.563 8.115 1.00 0.00 C ATOM 595 CZ3 TRP A 463 -2.892 -2.885 8.428 1.00 0.00 C ATOM 596 CH2 TRP A 463 -3.932 -3.792 8.676 1.00 0.00 C ATOM 0 H TRP A 463 -4.039 -0.269 3.268 1.00 0.00 H new ATOM 0 HA TRP A 463 -5.777 1.663 4.564 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -3.127 0.406 5.362 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -4.067 1.474 6.387 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -6.863 -0.199 5.357 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -7.408 -2.374 6.624 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -2.286 -1.068 7.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -6.010 -4.249 8.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -1.918 -3.059 8.861 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -3.760 -4.661 9.294 1.00 0.00 H new ATOM 607 N ARG A 464 -3.110 2.631 2.993 1.00 0.00 N ATOM 608 CA ARG A 464 -2.314 3.800 2.619 1.00 0.00 C ATOM 609 C ARG A 464 -2.585 4.276 1.197 1.00 0.00 C ATOM 610 O ARG A 464 -2.312 5.432 0.889 1.00 0.00 O ATOM 611 CB ARG A 464 -0.826 3.485 2.793 1.00 0.00 C ATOM 612 CG ARG A 464 -0.464 3.204 4.254 1.00 0.00 C ATOM 613 CD ARG A 464 -0.594 4.471 5.099 1.00 0.00 C ATOM 614 NE ARG A 464 -0.292 4.197 6.510 1.00 0.00 N ATOM 615 CZ ARG A 464 -0.274 5.132 7.464 1.00 0.00 C ATOM 616 NH1 ARG A 464 -0.541 6.407 7.171 1.00 0.00 N ATOM 617 NH2 ARG A 464 0.009 4.797 8.720 1.00 0.00 N ATOM 0 H ARG A 464 -2.959 1.814 2.401 1.00 0.00 H new ATOM 0 HA ARG A 464 -2.608 4.614 3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -0.565 2.620 2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -0.233 4.324 2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -1.117 2.427 4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 464 0.556 2.825 4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 464 0.084 5.236 4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -1.605 4.869 5.011 1.00 0.00 H new ATOM 0 HE ARG A 464 -0.083 3.235 6.778 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -0.761 6.674 6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -0.525 7.114 7.907 1.00 0.00 H new ATOM 0 HH21 ARG A 464 0.212 3.826 8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 464 0.023 5.512 9.448 1.00 0.00 H new ATOM 631 N HIS A 465 -3.115 3.418 0.325 1.00 0.00 N ATOM 632 CA HIS A 465 -3.366 3.775 -1.067 1.00 0.00 C ATOM 633 C HIS A 465 -4.835 4.118 -1.314 1.00 0.00 C ATOM 634 O HIS A 465 -5.246 4.285 -2.461 1.00 0.00 O ATOM 635 CB HIS A 465 -2.861 2.660 -1.984 1.00 0.00 C ATOM 636 CG HIS A 465 -1.370 2.444 -1.879 1.00 0.00 C ATOM 637 ND1 HIS A 465 -0.739 1.383 -1.279 1.00 0.00 N ATOM 638 CD2 HIS A 465 -0.387 3.266 -2.359 1.00 0.00 C ATOM 639 CE1 HIS A 465 0.590 1.556 -1.403 1.00 0.00 C ATOM 640 NE2 HIS A 465 0.863 2.698 -2.064 1.00 0.00 N ATOM 0 H HIS A 465 -3.380 2.462 0.564 1.00 0.00 H new ATOM 0 HA HIS A 465 -2.810 4.683 -1.301 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -3.376 1.732 -1.737 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -3.117 2.901 -3.016 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -1.199 0.598 -0.818 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -0.546 4.199 -2.879 1.00 0.00 H new ATOM 0 HE1 HIS A 465 1.336 0.873 -1.024 1.00 0.00 H new ATOM 648 N SER A 466 -5.627 4.224 -0.242 1.00 0.00 N ATOM 649 CA SER A 466 -7.036 4.594 -0.330 1.00 0.00 C ATOM 650 C SER A 466 -7.225 6.107 -0.314 1.00 0.00 C ATOM 651 O SER A 466 -8.302 6.598 -0.654 1.00 0.00 O ATOM 652 CB SER A 466 -7.782 3.971 0.843 1.00 0.00 C ATOM 653 OG SER A 466 -7.215 4.407 2.064 1.00 0.00 O ATOM 0 H SER A 466 -5.305 4.055 0.711 1.00 0.00 H new ATOM 0 HA SER A 466 -7.432 4.223 -1.276 1.00 0.00 H new ATOM 0 HB2 SER A 466 -8.836 4.247 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 466 -7.735 2.884 0.778 1.00 0.00 H new ATOM 0 HG SER A 466 -6.825 3.641 2.536 1.00 0.00 H new ATOM 659 N MET A 467 -6.183 6.843 0.083 1.00 0.00 N ATOM 660 CA MET A 467 -6.219 8.298 0.155 1.00 0.00 C ATOM 661 C MET A 467 -5.664 8.910 -1.129 1.00 0.00 C ATOM 662 O MET A 467 -4.889 8.279 -1.845 1.00 0.00 O ATOM 663 CB MET A 467 -5.474 8.776 1.403 1.00 0.00 C ATOM 664 CG MET A 467 -4.000 8.372 1.367 1.00 0.00 C ATOM 665 SD MET A 467 -3.104 8.711 2.906 1.00 0.00 S ATOM 666 CE MET A 467 -3.913 7.508 3.995 1.00 0.00 C ATOM 0 H MET A 467 -5.289 6.440 0.364 1.00 0.00 H new ATOM 0 HA MET A 467 -7.252 8.635 0.243 1.00 0.00 H new ATOM 0 HB2 MET A 467 -5.553 9.860 1.482 1.00 0.00 H new ATOM 0 HB3 MET A 467 -5.945 8.357 2.292 1.00 0.00 H new ATOM 0 HG2 MET A 467 -3.931 7.307 1.146 1.00 0.00 H new ATOM 0 HG3 MET A 467 -3.509 8.900 0.549 1.00 0.00 H new ATOM 0 HE1 MET A 467 -3.287 7.330 4.869 1.00 0.00 H new ATOM 0 HE2 MET A 467 -4.879 7.899 4.314 1.00 0.00 H new ATOM 0 HE3 MET A 467 -4.060 6.572 3.457 1.00 0.00 H new ATOM 676 N GLU A 468 -6.060 10.151 -1.428 1.00 0.00 N ATOM 677 CA GLU A 468 -5.714 10.792 -2.689 1.00 0.00 C ATOM 678 C GLU A 468 -4.238 11.181 -2.770 1.00 0.00 C ATOM 679 O GLU A 468 -3.771 11.595 -3.831 1.00 0.00 O ATOM 680 CB GLU A 468 -6.612 12.012 -2.916 1.00 0.00 C ATOM 681 CG GLU A 468 -8.087 11.608 -2.949 1.00 0.00 C ATOM 682 CD GLU A 468 -8.958 12.780 -3.389 1.00 0.00 C ATOM 683 OE1 GLU A 468 -9.389 13.549 -2.498 1.00 0.00 O ATOM 684 OE2 GLU A 468 -9.187 12.902 -4.615 1.00 0.00 O ATOM 0 H GLU A 468 -6.624 10.730 -0.806 1.00 0.00 H new ATOM 0 HA GLU A 468 -5.883 10.063 -3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -6.449 12.741 -2.122 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -6.343 12.497 -3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -8.224 10.770 -3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -8.398 11.268 -1.961 1.00 0.00 H new ATOM 691 N GLY A 469 -3.499 11.054 -1.665 1.00 0.00 N ATOM 692 CA GLY A 469 -2.072 11.343 -1.651 1.00 0.00 C ATOM 693 C GLY A 469 -1.247 10.183 -2.210 1.00 0.00 C ATOM 694 O GLY A 469 -0.061 10.355 -2.482 1.00 0.00 O ATOM 0 H GLY A 469 -3.873 10.751 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 469 -1.878 12.241 -2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 469 -1.755 11.554 -0.630 1.00 0.00 H new ATOM 698 N LEU A 470 -1.859 9.006 -2.384 1.00 0.00 N ATOM 699 CA LEU A 470 -1.194 7.821 -2.912 1.00 0.00 C ATOM 700 C LEU A 470 -2.068 7.070 -3.920 1.00 0.00 C ATOM 701 O LEU A 470 -1.737 5.947 -4.299 1.00 0.00 O ATOM 702 CB LEU A 470 -0.801 6.877 -1.768 1.00 0.00 C ATOM 703 CG LEU A 470 0.173 7.478 -0.760 1.00 0.00 C ATOM 704 CD1 LEU A 470 -0.517 8.267 0.347 1.00 0.00 C ATOM 705 CD2 LEU A 470 0.933 6.351 -0.055 1.00 0.00 C ATOM 0 H LEU A 470 -2.842 8.853 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 470 -0.299 8.161 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 470 -1.704 6.568 -1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 470 -0.356 5.977 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 470 0.820 8.144 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 470 0.232 8.667 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 470 -1.085 9.088 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 470 -1.193 7.610 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 470 1.630 6.778 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 470 0.226 5.704 0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 470 1.485 5.768 -0.792 1.00 0.00 H new ATOM 717 N ARG A 471 -3.183 7.663 -4.365 1.00 0.00 N ATOM 718 CA ARG A 471 -4.106 6.988 -5.278 1.00 0.00 C ATOM 719 C ARG A 471 -3.513 6.799 -6.676 1.00 0.00 C ATOM 720 O ARG A 471 -4.134 6.174 -7.534 1.00 0.00 O ATOM 721 CB ARG A 471 -5.426 7.763 -5.362 1.00 0.00 C ATOM 722 CG ARG A 471 -5.238 9.123 -6.039 1.00 0.00 C ATOM 723 CD ARG A 471 -6.577 9.848 -6.199 1.00 0.00 C ATOM 724 NE ARG A 471 -7.465 9.139 -7.127 1.00 0.00 N ATOM 725 CZ ARG A 471 -8.726 9.497 -7.380 1.00 0.00 C ATOM 726 NH1 ARG A 471 -9.270 10.555 -6.784 1.00 0.00 N ATOM 727 NH2 ARG A 471 -9.456 8.789 -8.237 1.00 0.00 N ATOM 0 H ARG A 471 -3.465 8.608 -4.106 1.00 0.00 H new ATOM 0 HA ARG A 471 -4.291 5.994 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -6.158 7.177 -5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -5.828 7.907 -4.359 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -4.557 9.736 -5.448 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -4.776 8.985 -7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -7.062 9.938 -5.227 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -6.402 10.861 -6.563 1.00 0.00 H new ATOM 0 HE ARG A 471 -7.095 8.320 -7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -8.722 11.106 -6.123 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -10.235 10.815 -6.988 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -9.052 7.974 -8.699 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -10.420 9.061 -8.432 1.00 0.00 H new ATOM 741 N HIS A 472 -2.316 7.343 -6.910 1.00 0.00 N ATOM 742 CA HIS A 472 -1.652 7.317 -8.202 1.00 0.00 C ATOM 743 C HIS A 472 -0.588 6.220 -8.284 1.00 0.00 C ATOM 744 O HIS A 472 0.110 6.114 -9.291 1.00 0.00 O ATOM 745 CB HIS A 472 -1.050 8.695 -8.460 1.00 0.00 C ATOM 746 CG HIS A 472 -0.058 9.091 -7.400 1.00 0.00 C ATOM 747 ND1 HIS A 472 -0.385 9.576 -6.127 1.00 0.00 N ATOM 748 CD2 HIS A 472 1.298 9.029 -7.525 1.00 0.00 C ATOM 749 CE1 HIS A 472 0.792 9.793 -5.521 1.00 0.00 C ATOM 750 NE2 HIS A 472 1.816 9.482 -6.334 1.00 0.00 N ATOM 0 H HIS A 472 -1.777 7.821 -6.188 1.00 0.00 H new ATOM 0 HA HIS A 472 -2.385 7.081 -8.974 1.00 0.00 H new ATOM 0 HB2 HIS A 472 -0.559 8.699 -9.433 1.00 0.00 H new ATOM 0 HB3 HIS A 472 -1.848 9.436 -8.503 1.00 0.00 H new ATOM 0 HD2 HIS A 472 1.854 8.692 -8.387 1.00 0.00 H new ATOM 0 HE1 HIS A 472 0.902 10.168 -4.514 1.00 0.00 H new ATOM 0 HE2 HIS A 472 2.807 9.567 -6.107 1.00 0.00 H new ATOM 758 N HIS A 473 -0.452 5.405 -7.232 1.00 0.00 N ATOM 759 CA HIS A 473 0.544 4.346 -7.186 1.00 0.00 C ATOM 760 C HIS A 473 0.066 3.126 -7.970 1.00 0.00 C ATOM 761 O HIS A 473 -1.126 2.981 -8.245 1.00 0.00 O ATOM 762 CB HIS A 473 0.828 3.970 -5.725 1.00 0.00 C ATOM 763 CG HIS A 473 1.402 5.089 -4.889 1.00 0.00 C ATOM 764 ND1 HIS A 473 1.906 4.940 -3.590 1.00 0.00 N ATOM 765 CD2 HIS A 473 1.513 6.399 -5.258 1.00 0.00 C ATOM 766 CE1 HIS A 473 2.291 6.175 -3.217 1.00 0.00 C ATOM 767 NE2 HIS A 473 2.067 7.064 -4.194 1.00 0.00 N ATOM 0 H HIS A 473 -1.031 5.466 -6.394 1.00 0.00 H new ATOM 0 HA HIS A 473 1.465 4.704 -7.647 1.00 0.00 H new ATOM 0 HB2 HIS A 473 -0.099 3.629 -5.264 1.00 0.00 H new ATOM 0 HB3 HIS A 473 1.521 3.129 -5.708 1.00 0.00 H new ATOM 0 HD2 HIS A 473 1.221 6.829 -6.205 1.00 0.00 H new ATOM 0 HE1 HIS A 473 2.723 6.417 -2.257 1.00 0.00 H new ATOM 0 HE2 HIS A 473 2.273 8.062 -4.154 1.00 0.00 H new ATOM 775 N SER A 474 1.006 2.247 -8.327 1.00 0.00 N ATOM 776 CA SER A 474 0.713 1.014 -9.044 1.00 0.00 C ATOM 777 C SER A 474 1.473 -0.142 -8.400 1.00 0.00 C ATOM 778 O SER A 474 2.575 0.056 -7.888 1.00 0.00 O ATOM 779 CB SER A 474 1.107 1.157 -10.514 1.00 0.00 C ATOM 780 OG SER A 474 0.356 2.185 -11.127 1.00 0.00 O ATOM 0 H SER A 474 1.997 2.376 -8.123 1.00 0.00 H new ATOM 0 HA SER A 474 -0.356 0.810 -8.991 1.00 0.00 H new ATOM 0 HB2 SER A 474 2.171 1.379 -10.592 1.00 0.00 H new ATOM 0 HB3 SER A 474 0.939 0.215 -11.036 1.00 0.00 H new ATOM 0 HG SER A 474 0.620 2.267 -12.067 1.00 0.00 H new ATOM 786 N PRO A 475 0.899 -1.350 -8.417 1.00 0.00 N ATOM 787 CA PRO A 475 1.479 -2.523 -7.791 1.00 0.00 C ATOM 788 C PRO A 475 2.732 -2.985 -8.528 1.00 0.00 C ATOM 789 O PRO A 475 2.896 -2.731 -9.723 1.00 0.00 O ATOM 790 CB PRO A 475 0.378 -3.582 -7.821 1.00 0.00 C ATOM 791 CG PRO A 475 -0.426 -3.204 -9.062 1.00 0.00 C ATOM 792 CD PRO A 475 -0.371 -1.677 -9.038 1.00 0.00 C ATOM 0 HA PRO A 475 1.805 -2.319 -6.771 1.00 0.00 H new ATOM 0 HB2 PRO A 475 0.788 -4.589 -7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 475 -0.234 -3.554 -6.919 1.00 0.00 H new ATOM 0 HG2 PRO A 475 0.015 -3.612 -9.971 1.00 0.00 H new ATOM 0 HG3 PRO A 475 -1.450 -3.574 -9.011 1.00 0.00 H new ATOM 0 HD2 PRO A 475 -0.434 -1.265 -10.045 1.00 0.00 H new ATOM 0 HD3 PRO A 475 -1.205 -1.262 -8.471 1.00 0.00 H new ATOM 800 N LEU A 476 3.616 -3.671 -7.800 1.00 0.00 N ATOM 801 CA LEU A 476 4.849 -4.226 -8.330 1.00 0.00 C ATOM 802 C LEU A 476 5.143 -5.534 -7.601 1.00 0.00 C ATOM 803 O LEU A 476 4.585 -5.777 -6.532 1.00 0.00 O ATOM 804 CB LEU A 476 5.978 -3.204 -8.137 1.00 0.00 C ATOM 805 CG LEU A 476 7.189 -3.469 -9.037 1.00 0.00 C ATOM 806 CD1 LEU A 476 6.844 -3.159 -10.492 1.00 0.00 C ATOM 807 CD2 LEU A 476 8.346 -2.562 -8.623 1.00 0.00 C ATOM 0 H LEU A 476 3.486 -3.856 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 476 4.762 -4.436 -9.396 1.00 0.00 H new ATOM 0 HB2 LEU A 476 5.594 -2.204 -8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 476 6.298 -3.217 -7.095 1.00 0.00 H new ATOM 0 HG LEU A 476 7.469 -4.518 -8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 476 7.713 -3.351 -11.121 1.00 0.00 H new ATOM 0 HD12 LEU A 476 6.017 -3.792 -10.813 1.00 0.00 H new ATOM 0 HD13 LEU A 476 6.556 -2.112 -10.582 1.00 0.00 H new ATOM 0 HD21 LEU A 476 9.206 -2.753 -9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 476 8.044 -1.519 -8.721 1.00 0.00 H new ATOM 0 HD23 LEU A 476 8.615 -2.766 -7.586 1.00 0.00 H new ATOM 819 N MET A 477 6.014 -6.380 -8.160 1.00 0.00 N ATOM 820 CA MET A 477 6.334 -7.678 -7.578 1.00 0.00 C ATOM 821 C MET A 477 7.847 -7.875 -7.503 1.00 0.00 C ATOM 822 O MET A 477 8.610 -7.196 -8.191 1.00 0.00 O ATOM 823 CB MET A 477 5.682 -8.795 -8.396 1.00 0.00 C ATOM 824 CG MET A 477 4.161 -8.683 -8.356 1.00 0.00 C ATOM 825 SD MET A 477 3.298 -9.996 -9.264 1.00 0.00 S ATOM 826 CE MET A 477 1.595 -9.503 -8.907 1.00 0.00 C ATOM 0 H MET A 477 6.514 -6.181 -9.027 1.00 0.00 H new ATOM 0 HA MET A 477 5.938 -7.714 -6.563 1.00 0.00 H new ATOM 0 HB2 MET A 477 6.027 -8.744 -9.429 1.00 0.00 H new ATOM 0 HB3 MET A 477 5.990 -9.765 -8.005 1.00 0.00 H new ATOM 0 HG2 MET A 477 3.833 -8.699 -7.317 1.00 0.00 H new ATOM 0 HG3 MET A 477 3.867 -7.718 -8.768 1.00 0.00 H new ATOM 0 HE1 MET A 477 0.907 -10.199 -9.386 1.00 0.00 H new ATOM 0 HE2 MET A 477 1.431 -9.515 -7.829 1.00 0.00 H new ATOM 0 HE3 MET A 477 1.419 -8.498 -9.290 1.00 0.00 H new ATOM 836 N ARG A 478 8.276 -8.818 -6.657 1.00 0.00 N ATOM 837 CA ARG A 478 9.685 -9.123 -6.441 1.00 0.00 C ATOM 838 C ARG A 478 10.235 -10.001 -7.567 1.00 0.00 C ATOM 839 O ARG A 478 11.437 -10.233 -7.646 1.00 0.00 O ATOM 840 CB ARG A 478 9.809 -9.791 -5.066 1.00 0.00 C ATOM 841 CG ARG A 478 11.263 -9.934 -4.617 1.00 0.00 C ATOM 842 CD ARG A 478 11.315 -10.479 -3.191 1.00 0.00 C ATOM 843 NE ARG A 478 10.699 -9.549 -2.237 1.00 0.00 N ATOM 844 CZ ARG A 478 9.848 -9.897 -1.268 1.00 0.00 C ATOM 845 NH1 ARG A 478 9.497 -11.167 -1.084 1.00 0.00 N ATOM 846 NH2 ARG A 478 9.339 -8.969 -0.468 1.00 0.00 N ATOM 0 H ARG A 478 7.645 -9.394 -6.100 1.00 0.00 H new ATOM 0 HA ARG A 478 10.284 -8.212 -6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 478 9.260 -9.204 -4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 478 9.344 -10.776 -5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 478 11.797 -10.604 -5.291 1.00 0.00 H new ATOM 0 HG3 ARG A 478 11.764 -8.967 -4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 478 10.801 -11.439 -3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 478 12.352 -10.660 -2.907 1.00 0.00 H new ATOM 0 HE ARG A 478 10.939 -8.561 -2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 478 9.879 -11.894 -1.688 1.00 0.00 H new ATOM 0 HH12 ARG A 478 8.846 -11.413 -0.339 1.00 0.00 H new ATOM 0 HH21 ARG A 478 9.598 -7.990 -0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 478 8.689 -9.234 0.272 1.00 0.00 H new ATOM 860 N ASN A 479 9.354 -10.490 -8.441 1.00 0.00 N ATOM 861 CA ASN A 479 9.716 -11.343 -9.558 1.00 0.00 C ATOM 862 C ASN A 479 8.794 -11.082 -10.748 1.00 0.00 C ATOM 863 O ASN A 479 7.743 -10.460 -10.600 1.00 0.00 O ATOM 864 CB ASN A 479 9.644 -12.808 -9.115 1.00 0.00 C ATOM 865 CG ASN A 479 8.256 -13.180 -8.605 1.00 0.00 C ATOM 866 OD1 ASN A 479 7.998 -13.137 -7.406 1.00 0.00 O ATOM 867 ND2 ASN A 479 7.356 -13.547 -9.511 1.00 0.00 N ATOM 0 H ASN A 479 8.354 -10.297 -8.386 1.00 0.00 H new ATOM 0 HA ASN A 479 10.735 -11.119 -9.875 1.00 0.00 H new ATOM 0 HB2 ASN A 479 9.908 -13.454 -9.952 1.00 0.00 H new ATOM 0 HB3 ASN A 479 10.379 -12.987 -8.330 1.00 0.00 H new ATOM 0 HD21 ASN A 479 6.414 -13.805 -9.218 1.00 0.00 H new ATOM 0 HD22 ASN A 479 7.607 -13.571 -10.499 1.00 0.00 H new ATOM 874 N GLN A 480 9.189 -11.564 -11.928 1.00 0.00 N ATOM 875 CA GLN A 480 8.390 -11.421 -13.136 1.00 0.00 C ATOM 876 C GLN A 480 7.235 -12.423 -13.130 1.00 0.00 C ATOM 877 O GLN A 480 7.291 -13.424 -12.415 1.00 0.00 O ATOM 878 CB GLN A 480 9.276 -11.605 -14.371 1.00 0.00 C ATOM 879 CG GLN A 480 10.343 -10.509 -14.441 1.00 0.00 C ATOM 880 CD GLN A 480 11.224 -10.641 -15.680 1.00 0.00 C ATOM 881 OE1 GLN A 480 11.043 -11.542 -16.500 1.00 0.00 O ATOM 882 NE2 GLN A 480 12.188 -9.739 -15.832 1.00 0.00 N ATOM 0 H GLN A 480 10.068 -12.061 -12.068 1.00 0.00 H new ATOM 0 HA GLN A 480 7.963 -10.419 -13.167 1.00 0.00 H new ATOM 0 HB2 GLN A 480 9.755 -12.584 -14.338 1.00 0.00 H new ATOM 0 HB3 GLN A 480 8.663 -11.580 -15.272 1.00 0.00 H new ATOM 0 HG2 GLN A 480 9.859 -9.532 -14.444 1.00 0.00 H new ATOM 0 HG3 GLN A 480 10.966 -10.553 -13.548 1.00 0.00 H new ATOM 0 HE21 GLN A 480 12.313 -9.004 -15.136 1.00 0.00 H new ATOM 0 HE22 GLN A 480 12.803 -9.781 -16.645 1.00 0.00 H new ATOM 891 N LYS A 481 6.196 -12.151 -13.922 1.00 0.00 N ATOM 892 CA LYS A 481 5.016 -13.002 -14.004 1.00 0.00 C ATOM 893 C LYS A 481 4.474 -13.015 -15.431 1.00 0.00 C ATOM 894 O LYS A 481 4.615 -12.035 -16.159 1.00 0.00 O ATOM 895 CB LYS A 481 3.968 -12.490 -13.006 1.00 0.00 C ATOM 896 CG LYS A 481 2.755 -13.421 -12.926 1.00 0.00 C ATOM 897 CD LYS A 481 1.771 -12.917 -11.866 1.00 0.00 C ATOM 898 CE LYS A 481 0.574 -13.862 -11.799 1.00 0.00 C ATOM 899 NZ LYS A 481 -0.402 -13.428 -10.779 1.00 0.00 N ATOM 0 H LYS A 481 6.153 -11.330 -14.526 1.00 0.00 H new ATOM 0 HA LYS A 481 5.274 -14.029 -13.746 1.00 0.00 H new ATOM 0 HB2 LYS A 481 4.421 -12.398 -12.019 1.00 0.00 H new ATOM 0 HB3 LYS A 481 3.642 -11.493 -13.301 1.00 0.00 H new ATOM 0 HG2 LYS A 481 2.261 -13.471 -13.896 1.00 0.00 H new ATOM 0 HG3 LYS A 481 3.079 -14.432 -12.680 1.00 0.00 H new ATOM 0 HD2 LYS A 481 2.262 -12.863 -10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 481 1.439 -11.908 -12.112 1.00 0.00 H new ATOM 0 HE2 LYS A 481 0.088 -13.905 -12.774 1.00 0.00 H new ATOM 0 HE3 LYS A 481 0.918 -14.871 -11.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 -1.202 -14.092 -10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 0.056 -13.411 -9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 -0.748 -12.475 -11.013 1.00 0.00 H new ATOM 913 N ASN A 482 3.851 -14.128 -15.827 1.00 0.00 N ATOM 914 CA ASN A 482 3.309 -14.317 -17.166 1.00 0.00 C ATOM 915 C ASN A 482 1.789 -14.478 -17.108 1.00 0.00 C ATOM 916 O ASN A 482 1.225 -14.725 -16.042 1.00 0.00 O ATOM 917 CB ASN A 482 3.961 -15.544 -17.816 1.00 0.00 C ATOM 918 CG ASN A 482 5.457 -15.362 -18.054 1.00 0.00 C ATOM 919 OD1 ASN A 482 6.009 -14.284 -17.849 1.00 0.00 O ATOM 920 ND2 ASN A 482 6.125 -16.426 -18.490 1.00 0.00 N ATOM 0 H ASN A 482 3.709 -14.931 -15.215 1.00 0.00 H new ATOM 0 HA ASN A 482 3.532 -13.438 -17.771 1.00 0.00 H new ATOM 0 HB2 ASN A 482 3.802 -16.414 -17.179 1.00 0.00 H new ATOM 0 HB3 ASN A 482 3.469 -15.751 -18.766 1.00 0.00 H new ATOM 0 HD21 ASN A 482 7.128 -16.362 -18.665 1.00 0.00 H new ATOM 0 HD22 ASN A 482 5.634 -17.306 -18.650 1.00 0.00 H new ATOM 927 N ARG A 483 1.129 -14.339 -18.263 1.00 0.00 N ATOM 928 CA ARG A 483 -0.322 -14.439 -18.367 1.00 0.00 C ATOM 929 C ARG A 483 -0.705 -15.113 -19.685 1.00 0.00 C ATOM 930 O ARG A 483 0.076 -15.095 -20.636 1.00 0.00 O ATOM 931 CB ARG A 483 -0.917 -13.031 -18.246 1.00 0.00 C ATOM 932 CG ARG A 483 -2.440 -13.070 -18.095 1.00 0.00 C ATOM 933 CD ARG A 483 -2.985 -11.664 -17.845 1.00 0.00 C ATOM 934 NE ARG A 483 -2.734 -10.784 -18.993 1.00 0.00 N ATOM 935 CZ ARG A 483 -3.072 -9.492 -19.041 1.00 0.00 C ATOM 936 NH1 ARG A 483 -3.675 -8.905 -18.006 1.00 0.00 N ATOM 937 NH2 ARG A 483 -2.807 -8.775 -20.130 1.00 0.00 N ATOM 0 H ARG A 483 1.592 -14.153 -19.152 1.00 0.00 H new ATOM 0 HA ARG A 483 -0.725 -15.056 -17.563 1.00 0.00 H new ATOM 0 HB2 ARG A 483 -0.479 -12.524 -17.386 1.00 0.00 H new ATOM 0 HB3 ARG A 483 -0.654 -12.448 -19.128 1.00 0.00 H new ATOM 0 HG2 ARG A 483 -2.891 -13.487 -18.995 1.00 0.00 H new ATOM 0 HG3 ARG A 483 -2.714 -13.726 -17.268 1.00 0.00 H new ATOM 0 HD2 ARG A 483 -4.056 -11.716 -17.651 1.00 0.00 H new ATOM 0 HD3 ARG A 483 -2.519 -11.244 -16.953 1.00 0.00 H new ATOM 0 HE ARG A 483 -2.271 -11.185 -19.808 1.00 0.00 H new ATOM 0 HH11 ARG A 483 -3.883 -9.443 -17.165 1.00 0.00 H new ATOM 0 HH12 ARG A 483 -3.928 -7.918 -18.056 1.00 0.00 H new ATOM 0 HH21 ARG A 483 -2.346 -9.211 -20.928 1.00 0.00 H new ATOM 0 HH22 ARG A 483 -3.065 -7.789 -20.167 1.00 0.00 H new ATOM 951 N ASP A 484 -1.901 -15.702 -19.735 1.00 0.00 N ATOM 952 CA ASP A 484 -2.377 -16.429 -20.905 1.00 0.00 C ATOM 953 C ASP A 484 -2.896 -15.487 -21.998 1.00 0.00 C ATOM 954 O ASP A 484 -3.309 -15.945 -23.061 1.00 0.00 O ATOM 955 CB ASP A 484 -3.454 -17.420 -20.457 1.00 0.00 C ATOM 956 CG ASP A 484 -3.879 -18.351 -21.586 1.00 0.00 C ATOM 957 OD1 ASP A 484 -2.994 -19.065 -22.110 1.00 0.00 O ATOM 958 OD2 ASP A 484 -5.087 -18.343 -21.916 1.00 0.00 O ATOM 0 H ASP A 484 -2.566 -15.686 -18.962 1.00 0.00 H new ATOM 0 HA ASP A 484 -1.543 -16.972 -21.351 1.00 0.00 H new ATOM 0 HB2 ASP A 484 -3.078 -18.011 -19.622 1.00 0.00 H new ATOM 0 HB3 ASP A 484 -4.323 -16.871 -20.093 1.00 0.00 H new ATOM 963 N SER A 485 -2.883 -14.174 -21.745 1.00 0.00 N ATOM 964 CA SER A 485 -3.353 -13.172 -22.697 1.00 0.00 C ATOM 965 C SER A 485 -2.534 -11.889 -22.575 1.00 0.00 C ATOM 966 O SER A 485 -1.869 -11.665 -21.561 1.00 0.00 O ATOM 967 CB SER A 485 -4.838 -12.894 -22.455 1.00 0.00 C ATOM 968 OG SER A 485 -5.051 -12.427 -21.135 1.00 0.00 O ATOM 0 H SER A 485 -2.544 -13.778 -20.868 1.00 0.00 H new ATOM 0 HA SER A 485 -3.225 -13.554 -23.710 1.00 0.00 H new ATOM 0 HB2 SER A 485 -5.196 -12.153 -23.170 1.00 0.00 H new ATOM 0 HB3 SER A 485 -5.415 -13.803 -22.622 1.00 0.00 H new ATOM 0 HG SER A 485 -6.006 -12.253 -21.000 1.00 0.00 H new ATOM 974 N SER A 486 -2.586 -11.048 -23.614 1.00 0.00 N ATOM 975 CA SER A 486 -1.840 -9.797 -23.675 1.00 0.00 C ATOM 976 C SER A 486 -2.730 -8.668 -24.183 1.00 0.00 C ATOM 977 O SER A 486 -3.304 -8.830 -25.283 1.00 0.00 O ATOM 978 CB SER A 486 -0.628 -9.968 -24.587 1.00 0.00 C ATOM 979 OG SER A 486 0.238 -10.957 -24.063 1.00 0.00 O ATOM 980 OXT SER A 486 -2.828 -7.647 -23.465 1.00 0.00 O ATOM 0 H SER A 486 -3.155 -11.223 -24.442 1.00 0.00 H new ATOM 0 HA SER A 486 -1.500 -9.538 -22.672 1.00 0.00 H new ATOM 0 HB2 SER A 486 -0.953 -10.251 -25.588 1.00 0.00 H new ATOM 0 HB3 SER A 486 -0.097 -9.021 -24.681 1.00 0.00 H new ATOM 0 HG SER A 486 1.012 -11.061 -24.655 1.00 0.00 H new TER 986 SER A 486 HETATM 987 ZN ZN A 501 0.734 -5.587 5.152 1.00 0.00 ZN HETATM 988 ZN ZN A 502 2.640 3.353 -2.666 1.00 0.00 ZN