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 -19:sc= 1.23 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.3) USER MOD Single : A 439 SER OG : rot 180:sc= 0 USER MOD Single : A 440 SER OG : rot 72:sc= 1.02 USER MOD Single : A 441 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 450 GLN : amide:sc= -0.245 K(o=-0.25,f=-1.7) USER MOD Single : A 454 LYS NZ :NH3+ 169:sc= 2.45 (180deg=2.37) USER MOD Single : A 455 TYR OH : rot 15:sc= 0.594 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 462 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 MET CE :methyl 165:sc= -0.0126 (180deg=-0.335) USER MOD Single : A 472 HIS : no HD1:sc= -0.226 K(o=-0.23,f=-2.7!) 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= -0.0102 K(o=-0.01,f=-1.2) USER MOD Single : A 480 GLN : amide:sc= -0.223 K(o=-0.22,f=-1.7) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 482 ASN : amide:sc= 0.288 K(o=0.29,f=-4!) USER MOD Single : A 485 SER OG : rot -136:sc= 0.435 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 426 24.631 -4.860 11.864 1.00 0.00 N ATOM 2 CA ILE A 426 24.029 -5.382 10.620 1.00 0.00 C ATOM 3 C ILE A 426 24.772 -4.849 9.395 1.00 0.00 C ATOM 4 O ILE A 426 25.581 -3.932 9.511 1.00 0.00 O ATOM 5 CB ILE A 426 22.534 -5.055 10.530 1.00 0.00 C ATOM 6 CG1 ILE A 426 22.295 -3.538 10.554 1.00 0.00 C ATOM 7 CG2 ILE A 426 21.794 -5.745 11.680 1.00 0.00 C ATOM 8 CD1 ILE A 426 20.818 -3.209 10.350 1.00 0.00 C ATOM 0 HA ILE A 426 24.126 -6.467 10.641 1.00 0.00 H new ATOM 0 HB ILE A 426 22.147 -5.427 9.581 1.00 0.00 H new ATOM 0 HG12 ILE A 426 22.633 -3.129 11.506 1.00 0.00 H new ATOM 0 HG13 ILE A 426 22.888 -3.061 9.773 1.00 0.00 H new ATOM 0 HG21 ILE A 426 20.730 -5.514 11.619 1.00 0.00 H new ATOM 0 HG22 ILE A 426 21.936 -6.823 11.609 1.00 0.00 H new ATOM 0 HG23 ILE A 426 22.188 -5.389 12.632 1.00 0.00 H new ATOM 0 HD11 ILE A 426 20.680 -2.128 10.372 1.00 0.00 H new ATOM 0 HD12 ILE A 426 20.488 -3.598 9.386 1.00 0.00 H new ATOM 0 HD13 ILE A 426 20.230 -3.666 11.146 1.00 0.00 H new ATOM 22 N ASP A 427 24.498 -5.427 8.223 1.00 0.00 N ATOM 23 CA ASP A 427 25.120 -5.011 6.975 1.00 0.00 C ATOM 24 C ASP A 427 24.568 -3.650 6.530 1.00 0.00 C ATOM 25 O ASP A 427 23.517 -3.223 7.013 1.00 0.00 O ATOM 26 CB ASP A 427 24.872 -6.082 5.913 1.00 0.00 C ATOM 27 CG ASP A 427 25.513 -7.410 6.300 1.00 0.00 C ATOM 28 OD1 ASP A 427 26.739 -7.553 6.069 1.00 0.00 O ATOM 29 OD2 ASP A 427 24.779 -8.277 6.822 1.00 0.00 O ATOM 0 H ASP A 427 23.837 -6.197 8.118 1.00 0.00 H new ATOM 0 HA ASP A 427 26.195 -4.898 7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 427 23.799 -6.220 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 427 25.274 -5.748 4.957 1.00 0.00 H new ATOM 34 N PRO A 428 25.260 -2.954 5.611 1.00 0.00 N ATOM 35 CA PRO A 428 24.851 -1.653 5.100 1.00 0.00 C ATOM 36 C PRO A 428 23.463 -1.659 4.445 1.00 0.00 C ATOM 37 O PRO A 428 22.914 -0.593 4.167 1.00 0.00 O ATOM 38 CB PRO A 428 25.923 -1.269 4.076 1.00 0.00 C ATOM 39 CG PRO A 428 27.149 -2.060 4.519 1.00 0.00 C ATOM 40 CD PRO A 428 26.525 -3.355 5.029 1.00 0.00 C ATOM 0 HA PRO A 428 24.767 -0.941 5.921 1.00 0.00 H new ATOM 0 HB2 PRO A 428 25.621 -1.533 3.063 1.00 0.00 H new ATOM 0 HB3 PRO A 428 26.116 -0.196 4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 428 27.840 -2.237 3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 428 27.709 -1.542 5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 428 26.379 -4.069 4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 428 27.165 -3.838 5.768 1.00 0.00 H new ATOM 48 N TYR A 429 22.901 -2.847 4.205 1.00 0.00 N ATOM 49 CA TYR A 429 21.577 -3.003 3.623 1.00 0.00 C ATOM 50 C TYR A 429 20.888 -4.224 4.234 1.00 0.00 C ATOM 51 O TYR A 429 21.466 -5.309 4.292 1.00 0.00 O ATOM 52 CB TYR A 429 21.704 -3.159 2.106 1.00 0.00 C ATOM 53 CG TYR A 429 20.423 -3.604 1.437 1.00 0.00 C ATOM 54 CD1 TYR A 429 19.260 -2.824 1.535 1.00 0.00 C ATOM 55 CD2 TYR A 429 20.405 -4.807 0.717 1.00 0.00 C ATOM 56 CE1 TYR A 429 18.071 -3.254 0.926 1.00 0.00 C ATOM 57 CE2 TYR A 429 19.220 -5.238 0.097 1.00 0.00 C ATOM 58 CZ TYR A 429 18.044 -4.466 0.210 1.00 0.00 C ATOM 59 OH TYR A 429 16.889 -4.894 -0.374 1.00 0.00 O ATOM 0 H TYR A 429 23.362 -3.733 4.414 1.00 0.00 H new ATOM 0 HA TYR A 429 20.973 -2.121 3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 429 22.018 -2.208 1.676 1.00 0.00 H new ATOM 0 HB3 TYR A 429 22.489 -3.883 1.887 1.00 0.00 H new ATOM 0 HD1 TYR A 429 19.280 -1.892 2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 429 21.302 -5.403 0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 429 17.176 -2.655 1.007 1.00 0.00 H new ATOM 0 HE2 TYR A 429 19.209 -6.160 -0.466 1.00 0.00 H new ATOM 0 HH TYR A 429 16.126 -4.434 0.034 1.00 0.00 H new ATOM 69 N LEU A 430 19.647 -4.035 4.695 1.00 0.00 N ATOM 70 CA LEU A 430 18.842 -5.097 5.275 1.00 0.00 C ATOM 71 C LEU A 430 17.369 -4.689 5.268 1.00 0.00 C ATOM 72 O LEU A 430 17.045 -3.525 5.497 1.00 0.00 O ATOM 73 CB LEU A 430 19.316 -5.351 6.713 1.00 0.00 C ATOM 74 CG LEU A 430 18.555 -6.487 7.404 1.00 0.00 C ATOM 75 CD1 LEU A 430 18.726 -7.808 6.656 1.00 0.00 C ATOM 76 CD2 LEU A 430 19.092 -6.658 8.821 1.00 0.00 C ATOM 0 H LEU A 430 19.176 -3.131 4.672 1.00 0.00 H new ATOM 0 HA LEU A 430 18.953 -6.010 4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 430 20.380 -5.588 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 430 19.199 -4.437 7.295 1.00 0.00 H new ATOM 0 HG LEU A 430 17.496 -6.228 7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 430 18.174 -8.593 7.173 1.00 0.00 H new ATOM 0 HD12 LEU A 430 18.344 -7.703 5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 430 19.783 -8.072 6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 430 18.555 -7.465 9.319 1.00 0.00 H new ATOM 0 HD22 LEU A 430 20.154 -6.900 8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 430 18.952 -5.731 9.378 1.00 0.00 H new ATOM 88 N GLU A 431 16.482 -5.651 5.003 1.00 0.00 N ATOM 89 CA GLU A 431 15.040 -5.444 5.047 1.00 0.00 C ATOM 90 C GLU A 431 14.345 -6.704 5.556 1.00 0.00 C ATOM 91 O GLU A 431 14.898 -7.802 5.480 1.00 0.00 O ATOM 92 CB GLU A 431 14.505 -5.081 3.658 1.00 0.00 C ATOM 93 CG GLU A 431 15.019 -3.725 3.182 1.00 0.00 C ATOM 94 CD GLU A 431 14.300 -3.287 1.908 1.00 0.00 C ATOM 95 OE1 GLU A 431 14.708 -3.744 0.819 1.00 0.00 O ATOM 96 OE2 GLU A 431 13.339 -2.494 2.036 1.00 0.00 O ATOM 0 H GLU A 431 16.751 -6.602 4.750 1.00 0.00 H new ATOM 0 HA GLU A 431 14.831 -4.619 5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 431 14.799 -5.851 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 431 13.415 -5.067 3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 431 14.869 -2.980 3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 431 16.092 -3.782 2.998 1.00 0.00 H new ATOM 103 N ASP A 432 13.126 -6.551 6.083 1.00 0.00 N ATOM 104 CA ASP A 432 12.349 -7.668 6.599 1.00 0.00 C ATOM 105 C ASP A 432 11.679 -8.430 5.454 1.00 0.00 C ATOM 106 O ASP A 432 11.428 -7.864 4.388 1.00 0.00 O ATOM 107 CB ASP A 432 11.332 -7.152 7.617 1.00 0.00 C ATOM 108 CG ASP A 432 10.602 -8.294 8.315 1.00 0.00 C ATOM 109 OD1 ASP A 432 11.251 -9.336 8.556 1.00 0.00 O ATOM 110 OD2 ASP A 432 9.397 -8.116 8.599 1.00 0.00 O ATOM 0 H ASP A 432 12.656 -5.649 6.161 1.00 0.00 H new ATOM 0 HA ASP A 432 13.009 -8.372 7.106 1.00 0.00 H new ATOM 0 HB2 ASP A 432 11.841 -6.538 8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 432 10.608 -6.511 7.115 1.00 0.00 H new ATOM 115 N SER A 433 11.383 -9.715 5.679 1.00 0.00 N ATOM 116 CA SER A 433 10.819 -10.584 4.655 1.00 0.00 C ATOM 117 C SER A 433 9.292 -10.619 4.692 1.00 0.00 C ATOM 118 O SER A 433 8.671 -11.167 3.780 1.00 0.00 O ATOM 119 CB SER A 433 11.389 -11.994 4.808 1.00 0.00 C ATOM 120 OG SER A 433 12.798 -11.951 4.712 1.00 0.00 O ATOM 0 H SER A 433 11.530 -10.176 6.577 1.00 0.00 H new ATOM 0 HA SER A 433 11.100 -10.175 3.685 1.00 0.00 H new ATOM 0 HB2 SER A 433 11.093 -12.414 5.769 1.00 0.00 H new ATOM 0 HB3 SER A 433 10.982 -12.647 4.036 1.00 0.00 H new ATOM 0 HG SER A 433 13.160 -12.856 4.812 1.00 0.00 H new ATOM 126 N LEU A 434 8.680 -10.044 5.731 1.00 0.00 N ATOM 127 CA LEU A 434 7.231 -9.971 5.840 1.00 0.00 C ATOM 128 C LEU A 434 6.741 -8.606 5.360 1.00 0.00 C ATOM 129 O LEU A 434 7.535 -7.739 5.011 1.00 0.00 O ATOM 130 CB LEU A 434 6.785 -10.155 7.296 1.00 0.00 C ATOM 131 CG LEU A 434 7.072 -11.504 7.964 1.00 0.00 C ATOM 132 CD1 LEU A 434 6.468 -12.647 7.160 1.00 0.00 C ATOM 133 CD2 LEU A 434 8.559 -11.751 8.192 1.00 0.00 C ATOM 0 H LEU A 434 9.177 -9.620 6.514 1.00 0.00 H new ATOM 0 HA LEU A 434 6.809 -10.766 5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 434 7.261 -9.377 7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 434 5.710 -9.980 7.342 1.00 0.00 H new ATOM 0 HG LEU A 434 6.600 -11.465 8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 434 6.685 -13.594 7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 434 5.388 -12.513 7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 434 6.897 -12.654 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 434 8.698 -12.722 8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 434 9.081 -11.738 7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 434 8.963 -10.970 8.836 1.00 0.00 H new ATOM 145 N CYS A 435 5.419 -8.421 5.352 1.00 0.00 N ATOM 146 CA CYS A 435 4.817 -7.117 5.142 1.00 0.00 C ATOM 147 C CYS A 435 5.346 -6.182 6.227 1.00 0.00 C ATOM 148 O CYS A 435 5.415 -6.564 7.394 1.00 0.00 O ATOM 149 CB CYS A 435 3.301 -7.276 5.230 1.00 0.00 C ATOM 150 SG CYS A 435 2.495 -5.660 5.277 1.00 0.00 S ATOM 0 H CYS A 435 4.744 -9.173 5.491 1.00 0.00 H new ATOM 0 HA CYS A 435 5.065 -6.700 4.166 1.00 0.00 H new ATOM 0 HB2 CYS A 435 2.939 -7.844 4.373 1.00 0.00 H new ATOM 0 HB3 CYS A 435 3.041 -7.845 6.123 1.00 0.00 H new ATOM 155 N HIS A 436 5.718 -4.957 5.859 1.00 0.00 N ATOM 156 CA HIS A 436 6.344 -4.029 6.797 1.00 0.00 C ATOM 157 C HIS A 436 5.316 -3.322 7.676 1.00 0.00 C ATOM 158 O HIS A 436 5.686 -2.455 8.467 1.00 0.00 O ATOM 159 CB HIS A 436 7.248 -3.052 6.046 1.00 0.00 C ATOM 160 CG HIS A 436 8.492 -3.710 5.499 1.00 0.00 C ATOM 161 ND1 HIS A 436 9.803 -3.312 5.774 1.00 0.00 N ATOM 162 CD2 HIS A 436 8.519 -4.789 4.667 1.00 0.00 C ATOM 163 CE1 HIS A 436 10.585 -4.168 5.100 1.00 0.00 C ATOM 164 NE2 HIS A 436 9.846 -5.067 4.432 1.00 0.00 N ATOM 0 H HIS A 436 5.596 -4.585 4.917 1.00 0.00 H new ATOM 0 HA HIS A 436 6.970 -4.602 7.481 1.00 0.00 H new ATOM 0 HB2 HIS A 436 6.688 -2.604 5.225 1.00 0.00 H new ATOM 0 HB3 HIS A 436 7.535 -2.242 6.716 1.00 0.00 H new ATOM 0 HD2 HIS A 436 7.667 -5.321 4.270 1.00 0.00 H new ATOM 0 HE1 HIS A 436 11.665 -4.138 5.095 1.00 0.00 H new ATOM 0 HE2 HIS A 436 10.205 -5.825 3.851 1.00 0.00 H new ATOM 172 N ILE A 437 4.035 -3.686 7.547 1.00 0.00 N ATOM 173 CA ILE A 437 2.966 -3.122 8.360 1.00 0.00 C ATOM 174 C ILE A 437 2.212 -4.234 9.089 1.00 0.00 C ATOM 175 O ILE A 437 1.639 -3.995 10.152 1.00 0.00 O ATOM 176 CB ILE A 437 1.992 -2.355 7.455 1.00 0.00 C ATOM 177 CG1 ILE A 437 2.705 -1.293 6.613 1.00 0.00 C ATOM 178 CG2 ILE A 437 0.878 -1.709 8.283 1.00 0.00 C ATOM 179 CD1 ILE A 437 3.302 -0.159 7.447 1.00 0.00 C ATOM 0 H ILE A 437 3.716 -4.382 6.873 1.00 0.00 H new ATOM 0 HA ILE A 437 3.399 -2.446 9.097 1.00 0.00 H new ATOM 0 HB ILE A 437 1.553 -3.081 6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 437 3.499 -1.769 6.038 1.00 0.00 H new ATOM 0 HG13 ILE A 437 1.999 -0.874 5.896 1.00 0.00 H new ATOM 0 HG21 ILE A 437 0.199 -1.170 7.622 1.00 0.00 H new ATOM 0 HG22 ILE A 437 0.327 -2.483 8.818 1.00 0.00 H new ATOM 0 HG23 ILE A 437 1.314 -1.013 9.000 1.00 0.00 H new ATOM 0 HD11 ILE A 437 3.792 0.558 6.788 1.00 0.00 H new ATOM 0 HD12 ILE A 437 2.508 0.341 8.002 1.00 0.00 H new ATOM 0 HD13 ILE A 437 4.032 -0.567 8.146 1.00 0.00 H new ATOM 191 N CYS A 438 2.215 -5.446 8.520 1.00 0.00 N ATOM 192 CA CYS A 438 1.410 -6.543 9.029 1.00 0.00 C ATOM 193 C CYS A 438 2.276 -7.647 9.637 1.00 0.00 C ATOM 194 O CYS A 438 1.812 -8.366 10.521 1.00 0.00 O ATOM 195 CB CYS A 438 0.547 -7.075 7.882 1.00 0.00 C ATOM 196 SG CYS A 438 -0.282 -5.694 7.047 1.00 0.00 S ATOM 0 H CYS A 438 2.774 -5.684 7.701 1.00 0.00 H new ATOM 0 HA CYS A 438 0.771 -6.182 9.835 1.00 0.00 H new ATOM 0 HB2 CYS A 438 1.167 -7.622 7.172 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -0.193 -7.777 8.266 1.00 0.00 H new ATOM 201 N SER A 439 3.523 -7.780 9.168 1.00 0.00 N ATOM 202 CA SER A 439 4.489 -8.768 9.648 1.00 0.00 C ATOM 203 C SER A 439 3.872 -10.139 9.933 1.00 0.00 C ATOM 204 O SER A 439 4.194 -10.771 10.938 1.00 0.00 O ATOM 205 CB SER A 439 5.313 -8.228 10.816 1.00 0.00 C ATOM 206 OG SER A 439 4.486 -7.675 11.819 1.00 0.00 O ATOM 0 H SER A 439 3.894 -7.187 8.426 1.00 0.00 H new ATOM 0 HA SER A 439 5.182 -8.944 8.825 1.00 0.00 H new ATOM 0 HB2 SER A 439 5.915 -9.032 11.241 1.00 0.00 H new ATOM 0 HB3 SER A 439 6.006 -7.468 10.454 1.00 0.00 H new ATOM 0 HG SER A 439 5.042 -7.340 12.553 1.00 0.00 H new ATOM 212 N SER A 440 2.979 -10.600 9.054 1.00 0.00 N ATOM 213 CA SER A 440 2.269 -11.859 9.227 1.00 0.00 C ATOM 214 C SER A 440 2.307 -12.716 7.963 1.00 0.00 C ATOM 215 O SER A 440 1.916 -13.880 7.993 1.00 0.00 O ATOM 216 CB SER A 440 0.821 -11.548 9.594 1.00 0.00 C ATOM 217 OG SER A 440 0.759 -10.955 10.875 1.00 0.00 O ATOM 0 H SER A 440 2.730 -10.103 8.199 1.00 0.00 H new ATOM 0 HA SER A 440 2.758 -12.428 10.018 1.00 0.00 H new ATOM 0 HB2 SER A 440 0.387 -10.877 8.853 1.00 0.00 H new ATOM 0 HB3 SER A 440 0.230 -12.464 9.580 1.00 0.00 H new ATOM 0 HG SER A 440 1.114 -10.043 10.831 1.00 0.00 H new ATOM 223 N GLN A 441 2.776 -12.148 6.851 1.00 0.00 N ATOM 224 CA GLN A 441 2.894 -12.851 5.583 1.00 0.00 C ATOM 225 C GLN A 441 3.995 -12.211 4.747 1.00 0.00 C ATOM 226 O GLN A 441 4.301 -11.036 4.937 1.00 0.00 O ATOM 227 CB GLN A 441 1.564 -12.797 4.824 1.00 0.00 C ATOM 228 CG GLN A 441 1.086 -11.358 4.594 1.00 0.00 C ATOM 229 CD GLN A 441 -0.221 -11.346 3.809 1.00 0.00 C ATOM 230 OE1 GLN A 441 -0.227 -11.121 2.602 1.00 0.00 O ATOM 231 NE2 GLN A 441 -1.342 -11.589 4.486 1.00 0.00 N ATOM 0 H GLN A 441 3.086 -11.177 6.810 1.00 0.00 H new ATOM 0 HA GLN A 441 3.146 -13.894 5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 441 1.676 -13.299 3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 441 0.806 -13.345 5.384 1.00 0.00 H new ATOM 0 HG2 GLN A 441 0.946 -10.858 5.552 1.00 0.00 H new ATOM 0 HG3 GLN A 441 1.848 -10.798 4.051 1.00 0.00 H new ATOM 0 HE21 GLN A 441 -1.303 -11.772 5.489 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -2.240 -11.592 4.002 1.00 0.00 H new ATOM 240 N PRO A 442 4.599 -12.965 3.819 1.00 0.00 N ATOM 241 CA PRO A 442 5.554 -12.423 2.875 1.00 0.00 C ATOM 242 C PRO A 442 4.814 -11.503 1.906 1.00 0.00 C ATOM 243 O PRO A 442 4.105 -11.975 1.020 1.00 0.00 O ATOM 244 CB PRO A 442 6.155 -13.643 2.173 1.00 0.00 C ATOM 245 CG PRO A 442 5.041 -14.682 2.256 1.00 0.00 C ATOM 246 CD PRO A 442 4.397 -14.381 3.605 1.00 0.00 C ATOM 0 HA PRO A 442 6.341 -11.827 3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 442 6.422 -13.421 1.140 1.00 0.00 H new ATOM 0 HB3 PRO A 442 7.063 -13.986 2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 442 4.330 -14.579 1.436 1.00 0.00 H new ATOM 0 HG3 PRO A 442 5.432 -15.698 2.212 1.00 0.00 H new ATOM 0 HD2 PRO A 442 3.336 -14.630 3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 442 4.857 -14.968 4.400 1.00 0.00 H new ATOM 254 N GLY A 443 4.984 -10.189 2.084 1.00 0.00 N ATOM 255 CA GLY A 443 4.323 -9.182 1.267 1.00 0.00 C ATOM 256 C GLY A 443 4.477 -9.486 -0.222 1.00 0.00 C ATOM 257 O GLY A 443 5.598 -9.493 -0.734 1.00 0.00 O ATOM 0 H GLY A 443 5.590 -9.798 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 443 3.265 -9.140 1.524 1.00 0.00 H new ATOM 0 HA3 GLY A 443 4.744 -8.200 1.485 1.00 0.00 H new ATOM 261 N PRO A 444 3.364 -9.736 -0.928 1.00 0.00 N ATOM 262 CA PRO A 444 3.358 -10.061 -2.345 1.00 0.00 C ATOM 263 C PRO A 444 3.515 -8.812 -3.208 1.00 0.00 C ATOM 264 O PRO A 444 3.675 -8.928 -4.423 1.00 0.00 O ATOM 265 CB PRO A 444 1.992 -10.708 -2.574 1.00 0.00 C ATOM 266 CG PRO A 444 1.100 -9.944 -1.599 1.00 0.00 C ATOM 267 CD PRO A 444 2.012 -9.745 -0.396 1.00 0.00 C ATOM 0 HA PRO A 444 4.187 -10.713 -2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 444 1.657 -10.595 -3.605 1.00 0.00 H new ATOM 0 HB3 PRO A 444 2.007 -11.776 -2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 444 0.766 -8.994 -2.015 1.00 0.00 H new ATOM 0 HG3 PRO A 444 0.206 -10.510 -1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 444 1.786 -8.810 0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 444 1.882 -10.547 0.331 1.00 0.00 H new ATOM 275 N PHE A 445 3.466 -7.622 -2.599 1.00 0.00 N ATOM 276 CA PHE A 445 3.536 -6.362 -3.324 1.00 0.00 C ATOM 277 C PHE A 445 4.567 -5.412 -2.719 1.00 0.00 C ATOM 278 O PHE A 445 4.964 -5.554 -1.563 1.00 0.00 O ATOM 279 CB PHE A 445 2.159 -5.696 -3.330 1.00 0.00 C ATOM 280 CG PHE A 445 1.036 -6.561 -3.861 1.00 0.00 C ATOM 281 CD1 PHE A 445 1.116 -7.115 -5.149 1.00 0.00 C ATOM 282 CD2 PHE A 445 -0.094 -6.808 -3.067 1.00 0.00 C ATOM 283 CE1 PHE A 445 0.071 -7.914 -5.639 1.00 0.00 C ATOM 284 CE2 PHE A 445 -1.136 -7.606 -3.557 1.00 0.00 C ATOM 285 CZ PHE A 445 -1.055 -8.159 -4.843 1.00 0.00 C ATOM 0 H PHE A 445 3.377 -7.512 -1.589 1.00 0.00 H new ATOM 0 HA PHE A 445 3.849 -6.582 -4.345 1.00 0.00 H new ATOM 0 HB2 PHE A 445 1.914 -5.392 -2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 445 2.213 -4.788 -3.930 1.00 0.00 H new ATOM 0 HD1 PHE A 445 1.983 -6.926 -5.764 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.161 -6.382 -2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 445 0.135 -8.340 -6.629 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.004 -7.796 -2.943 1.00 0.00 H new ATOM 0 HZ PHE A 445 -1.860 -8.773 -5.219 1.00 0.00 H new ATOM 295 N PHE A 446 4.989 -4.439 -3.525 1.00 0.00 N ATOM 296 CA PHE A 446 5.887 -3.366 -3.125 1.00 0.00 C ATOM 297 C PHE A 446 5.377 -2.069 -3.743 1.00 0.00 C ATOM 298 O PHE A 446 4.784 -2.097 -4.822 1.00 0.00 O ATOM 299 CB PHE A 446 7.304 -3.690 -3.586 1.00 0.00 C ATOM 300 CG PHE A 446 8.345 -2.660 -3.206 1.00 0.00 C ATOM 301 CD1 PHE A 446 8.577 -1.545 -4.025 1.00 0.00 C ATOM 302 CD2 PHE A 446 9.086 -2.822 -2.028 1.00 0.00 C ATOM 303 CE1 PHE A 446 9.556 -0.605 -3.669 1.00 0.00 C ATOM 304 CE2 PHE A 446 10.067 -1.884 -1.673 1.00 0.00 C ATOM 305 CZ PHE A 446 10.302 -0.778 -2.497 1.00 0.00 C ATOM 0 H PHE A 446 4.705 -4.377 -4.503 1.00 0.00 H new ATOM 0 HA PHE A 446 5.912 -3.257 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 446 7.596 -4.653 -3.167 1.00 0.00 H new ATOM 0 HB3 PHE A 446 7.302 -3.801 -4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 446 8.002 -1.410 -4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 446 8.901 -3.673 -1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 446 9.734 0.253 -4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 446 10.639 -2.015 -0.766 1.00 0.00 H new ATOM 0 HZ PHE A 446 11.060 -0.057 -2.229 1.00 0.00 H new ATOM 315 N CYS A 447 5.605 -0.939 -3.071 1.00 0.00 N ATOM 316 CA CYS A 447 5.178 0.361 -3.566 1.00 0.00 C ATOM 317 C CYS A 447 6.397 1.259 -3.723 1.00 0.00 C ATOM 318 O CYS A 447 7.187 1.418 -2.787 1.00 0.00 O ATOM 319 CB CYS A 447 4.099 0.915 -2.637 1.00 0.00 C ATOM 320 SG CYS A 447 3.324 2.359 -3.402 1.00 0.00 S ATOM 0 H CYS A 447 6.089 -0.904 -2.174 1.00 0.00 H new ATOM 0 HA CYS A 447 4.724 0.292 -4.555 1.00 0.00 H new ATOM 0 HB2 CYS A 447 3.349 0.150 -2.437 1.00 0.00 H new ATOM 0 HB3 CYS A 447 4.537 1.190 -1.678 1.00 0.00 H new ATOM 325 N ARG A 448 6.533 1.840 -4.917 1.00 0.00 N ATOM 326 CA ARG A 448 7.687 2.635 -5.302 1.00 0.00 C ATOM 327 C ARG A 448 7.233 4.017 -5.741 1.00 0.00 C ATOM 328 O ARG A 448 6.976 4.251 -6.920 1.00 0.00 O ATOM 329 CB ARG A 448 8.431 1.893 -6.416 1.00 0.00 C ATOM 330 CG ARG A 448 9.721 2.612 -6.810 1.00 0.00 C ATOM 331 CD ARG A 448 10.399 1.830 -7.931 1.00 0.00 C ATOM 332 NE ARG A 448 11.613 2.504 -8.406 1.00 0.00 N ATOM 333 CZ ARG A 448 12.283 2.133 -9.501 1.00 0.00 C ATOM 334 NH1 ARG A 448 11.875 1.092 -10.226 1.00 0.00 N ATOM 335 NH2 ARG A 448 13.367 2.806 -9.878 1.00 0.00 N ATOM 0 H ARG A 448 5.829 1.766 -5.651 1.00 0.00 H new ATOM 0 HA ARG A 448 8.367 2.772 -4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 448 8.665 0.881 -6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 448 7.784 1.802 -7.288 1.00 0.00 H new ATOM 0 HG2 ARG A 448 9.501 3.628 -7.138 1.00 0.00 H new ATOM 0 HG3 ARG A 448 10.386 2.692 -5.950 1.00 0.00 H new ATOM 0 HD2 ARG A 448 10.653 0.831 -7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 448 9.703 1.706 -8.761 1.00 0.00 H new ATOM 0 HE ARG A 448 11.964 3.299 -7.871 1.00 0.00 H new ATOM 0 HH11 ARG A 448 11.044 0.570 -9.947 1.00 0.00 H new ATOM 0 HH12 ARG A 448 12.393 0.817 -11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 448 13.687 3.605 -9.331 1.00 0.00 H new ATOM 0 HH22 ARG A 448 13.878 2.523 -10.714 1.00 0.00 H new ATOM 349 N ASP A 449 7.135 4.933 -4.783 1.00 0.00 N ATOM 350 CA ASP A 449 6.756 6.315 -5.044 1.00 0.00 C ATOM 351 C ASP A 449 7.640 7.280 -4.256 1.00 0.00 C ATOM 352 O ASP A 449 8.612 6.871 -3.622 1.00 0.00 O ATOM 353 CB ASP A 449 5.288 6.506 -4.677 1.00 0.00 C ATOM 354 CG ASP A 449 4.704 7.710 -5.409 1.00 0.00 C ATOM 355 OD1 ASP A 449 4.560 7.618 -6.648 1.00 0.00 O ATOM 356 OD2 ASP A 449 4.408 8.713 -4.728 1.00 0.00 O ATOM 0 H ASP A 449 7.317 4.735 -3.799 1.00 0.00 H new ATOM 0 HA ASP A 449 6.896 6.532 -6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 449 4.724 5.609 -4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 449 5.192 6.646 -3.600 1.00 0.00 H new ATOM 361 N GLN A 450 7.309 8.573 -4.288 1.00 0.00 N ATOM 362 CA GLN A 450 8.041 9.586 -3.543 1.00 0.00 C ATOM 363 C GLN A 450 7.745 9.465 -2.045 1.00 0.00 C ATOM 364 O GLN A 450 8.413 10.097 -1.230 1.00 0.00 O ATOM 365 CB GLN A 450 7.654 10.962 -4.098 1.00 0.00 C ATOM 366 CG GLN A 450 8.475 12.111 -3.500 1.00 0.00 C ATOM 367 CD GLN A 450 9.966 12.018 -3.819 1.00 0.00 C ATOM 368 OE1 GLN A 450 10.396 11.223 -4.649 1.00 0.00 O ATOM 369 NE2 GLN A 450 10.772 12.840 -3.155 1.00 0.00 N ATOM 0 H GLN A 450 6.528 8.941 -4.831 1.00 0.00 H new ATOM 0 HA GLN A 450 9.116 9.448 -3.661 1.00 0.00 H new ATOM 0 HB2 GLN A 450 7.782 10.958 -5.180 1.00 0.00 H new ATOM 0 HB3 GLN A 450 6.597 11.140 -3.903 1.00 0.00 H new ATOM 0 HG2 GLN A 450 8.089 13.058 -3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 450 8.342 12.119 -2.418 1.00 0.00 H new ATOM 0 HE21 GLN A 450 10.386 13.490 -2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 450 11.777 12.821 -3.330 1.00 0.00 H new ATOM 378 N VAL A 451 6.743 8.654 -1.680 1.00 0.00 N ATOM 379 CA VAL A 451 6.368 8.431 -0.287 1.00 0.00 C ATOM 380 C VAL A 451 6.297 6.944 0.065 1.00 0.00 C ATOM 381 O VAL A 451 6.206 6.613 1.246 1.00 0.00 O ATOM 382 CB VAL A 451 5.032 9.116 0.018 1.00 0.00 C ATOM 383 CG1 VAL A 451 5.121 10.625 -0.223 1.00 0.00 C ATOM 384 CG2 VAL A 451 3.911 8.541 -0.848 1.00 0.00 C ATOM 0 H VAL A 451 6.172 8.136 -2.347 1.00 0.00 H new ATOM 0 HA VAL A 451 7.149 8.871 0.333 1.00 0.00 H new ATOM 0 HB VAL A 451 4.808 8.931 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 451 4.159 11.087 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 451 5.888 11.052 0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 451 5.379 10.812 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 451 2.974 9.045 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 451 4.150 8.694 -1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 451 3.809 7.474 -0.650 1.00 0.00 H new ATOM 394 N CYS A 452 6.337 6.054 -0.936 1.00 0.00 N ATOM 395 CA CYS A 452 6.323 4.621 -0.697 1.00 0.00 C ATOM 396 C CYS A 452 7.676 4.010 -1.057 1.00 0.00 C ATOM 397 O CYS A 452 8.230 4.308 -2.113 1.00 0.00 O ATOM 398 CB CYS A 452 5.202 3.972 -1.503 1.00 0.00 C ATOM 399 SG CYS A 452 3.576 4.560 -0.951 1.00 0.00 S ATOM 0 H CYS A 452 6.379 6.313 -1.922 1.00 0.00 H new ATOM 0 HA CYS A 452 6.140 4.437 0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 452 5.334 4.197 -2.561 1.00 0.00 H new ATOM 0 HB3 CYS A 452 5.255 2.888 -1.399 1.00 0.00 H new ATOM 404 N PHE A 453 8.203 3.149 -0.177 1.00 0.00 N ATOM 405 CA PHE A 453 9.516 2.540 -0.363 1.00 0.00 C ATOM 406 C PHE A 453 9.609 1.160 0.294 1.00 0.00 C ATOM 407 O PHE A 453 10.715 0.671 0.527 1.00 0.00 O ATOM 408 CB PHE A 453 10.591 3.451 0.242 1.00 0.00 C ATOM 409 CG PHE A 453 10.633 4.857 -0.305 1.00 0.00 C ATOM 410 CD1 PHE A 453 11.331 5.125 -1.493 1.00 0.00 C ATOM 411 CD2 PHE A 453 9.984 5.900 0.373 1.00 0.00 C ATOM 412 CE1 PHE A 453 11.383 6.431 -1.997 1.00 0.00 C ATOM 413 CE2 PHE A 453 10.036 7.207 -0.133 1.00 0.00 C ATOM 414 CZ PHE A 453 10.736 7.472 -1.320 1.00 0.00 C ATOM 0 H PHE A 453 7.730 2.859 0.679 1.00 0.00 H new ATOM 0 HA PHE A 453 9.672 2.416 -1.435 1.00 0.00 H new ATOM 0 HB2 PHE A 453 10.434 3.503 1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 453 11.565 2.989 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 453 11.828 4.324 -2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 453 9.444 5.696 1.286 1.00 0.00 H new ATOM 0 HE1 PHE A 453 11.923 6.635 -2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 453 9.537 8.009 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 453 10.776 8.478 -1.711 1.00 0.00 H new ATOM 424 N LYS A 454 8.480 0.515 0.608 1.00 0.00 N ATOM 425 CA LYS A 454 8.472 -0.712 1.408 1.00 0.00 C ATOM 426 C LYS A 454 7.576 -1.789 0.796 1.00 0.00 C ATOM 427 O LYS A 454 6.815 -1.522 -0.134 1.00 0.00 O ATOM 428 CB LYS A 454 7.992 -0.376 2.827 1.00 0.00 C ATOM 429 CG LYS A 454 8.922 0.591 3.572 1.00 0.00 C ATOM 430 CD LYS A 454 9.915 -0.136 4.481 1.00 0.00 C ATOM 431 CE LYS A 454 10.844 -1.094 3.738 1.00 0.00 C ATOM 432 NZ LYS A 454 11.796 -0.387 2.863 1.00 0.00 N ATOM 0 H LYS A 454 7.554 0.827 0.317 1.00 0.00 H new ATOM 0 HA LYS A 454 9.486 -1.112 1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 454 6.995 0.061 2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 454 7.904 -1.299 3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 454 9.471 1.193 2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 454 8.323 1.278 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 454 10.518 0.603 5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 454 9.361 -0.694 5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 454 11.396 -1.694 4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 454 10.248 -1.783 3.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 12.520 -1.054 2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 11.288 0.012 2.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 12.253 0.380 3.396 1.00 0.00 H new ATOM 446 N TYR A 455 7.673 -3.010 1.333 1.00 0.00 N ATOM 447 CA TYR A 455 6.817 -4.117 0.943 1.00 0.00 C ATOM 448 C TYR A 455 5.520 -4.079 1.742 1.00 0.00 C ATOM 449 O TYR A 455 5.507 -3.627 2.888 1.00 0.00 O ATOM 450 CB TYR A 455 7.534 -5.454 1.140 1.00 0.00 C ATOM 451 CG TYR A 455 8.692 -5.676 0.195 1.00 0.00 C ATOM 452 CD1 TYR A 455 9.967 -5.178 0.505 1.00 0.00 C ATOM 453 CD2 TYR A 455 8.484 -6.385 -0.998 1.00 0.00 C ATOM 454 CE1 TYR A 455 11.032 -5.372 -0.384 1.00 0.00 C ATOM 455 CE2 TYR A 455 9.546 -6.579 -1.893 1.00 0.00 C ATOM 456 CZ TYR A 455 10.825 -6.071 -1.591 1.00 0.00 C ATOM 457 OH TYR A 455 11.859 -6.252 -2.463 1.00 0.00 O ATOM 0 H TYR A 455 8.354 -3.251 2.053 1.00 0.00 H new ATOM 0 HA TYR A 455 6.579 -4.017 -0.116 1.00 0.00 H new ATOM 0 HB2 TYR A 455 7.899 -5.511 2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 455 6.814 -6.263 1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 455 10.127 -4.644 1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.506 -6.781 -1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 455 12.012 -4.986 -0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 455 9.383 -7.118 -2.815 1.00 0.00 H new ATOM 0 HH TYR A 455 12.706 -6.057 -2.011 1.00 0.00 H new ATOM 467 N PHE A 456 4.433 -4.552 1.133 1.00 0.00 N ATOM 468 CA PHE A 456 3.104 -4.510 1.723 1.00 0.00 C ATOM 469 C PHE A 456 2.275 -5.714 1.286 1.00 0.00 C ATOM 470 O PHE A 456 2.725 -6.542 0.493 1.00 0.00 O ATOM 471 CB PHE A 456 2.400 -3.229 1.267 1.00 0.00 C ATOM 472 CG PHE A 456 3.085 -1.939 1.658 1.00 0.00 C ATOM 473 CD1 PHE A 456 3.001 -1.470 2.977 1.00 0.00 C ATOM 474 CD2 PHE A 456 3.801 -1.207 0.701 1.00 0.00 C ATOM 475 CE1 PHE A 456 3.625 -0.266 3.335 1.00 0.00 C ATOM 476 CE2 PHE A 456 4.428 -0.005 1.059 1.00 0.00 C ATOM 477 CZ PHE A 456 4.337 0.465 2.377 1.00 0.00 C ATOM 0 H PHE A 456 4.455 -4.979 0.207 1.00 0.00 H new ATOM 0 HA PHE A 456 3.202 -4.530 2.808 1.00 0.00 H new ATOM 0 HB2 PHE A 456 2.303 -3.255 0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 456 1.390 -3.224 1.678 1.00 0.00 H new ATOM 0 HD1 PHE A 456 2.456 -2.036 3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 456 3.870 -1.569 -0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 456 3.556 0.097 4.350 1.00 0.00 H new ATOM 0 HE2 PHE A 456 4.980 0.558 0.321 1.00 0.00 H new ATOM 0 HZ PHE A 456 4.817 1.392 2.653 1.00 0.00 H new ATOM 487 N CYS A 457 1.055 -5.791 1.819 1.00 0.00 N ATOM 488 CA CYS A 457 0.059 -6.796 1.485 1.00 0.00 C ATOM 489 C CYS A 457 -1.257 -6.081 1.180 1.00 0.00 C ATOM 490 O CYS A 457 -1.347 -4.862 1.324 1.00 0.00 O ATOM 491 CB CYS A 457 -0.059 -7.798 2.637 1.00 0.00 C ATOM 492 SG CYS A 457 -0.465 -6.931 4.173 1.00 0.00 S ATOM 0 H CYS A 457 0.726 -5.128 2.521 1.00 0.00 H new ATOM 0 HA CYS A 457 0.345 -7.366 0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 457 -0.830 -8.535 2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 457 0.878 -8.342 2.754 1.00 0.00 H new ATOM 497 N ARG A 458 -2.286 -6.817 0.758 1.00 0.00 N ATOM 498 CA ARG A 458 -3.531 -6.203 0.316 1.00 0.00 C ATOM 499 C ARG A 458 -4.171 -5.368 1.425 1.00 0.00 C ATOM 500 O ARG A 458 -4.799 -4.347 1.144 1.00 0.00 O ATOM 501 CB ARG A 458 -4.476 -7.309 -0.159 1.00 0.00 C ATOM 502 CG ARG A 458 -5.763 -6.718 -0.743 1.00 0.00 C ATOM 503 CD ARG A 458 -6.693 -7.830 -1.229 1.00 0.00 C ATOM 504 NE ARG A 458 -6.097 -8.592 -2.332 1.00 0.00 N ATOM 505 CZ ARG A 458 -6.591 -9.744 -2.792 1.00 0.00 C ATOM 506 NH1 ARG A 458 -7.688 -10.273 -2.261 1.00 0.00 N ATOM 507 NH2 ARG A 458 -5.983 -10.376 -3.795 1.00 0.00 N ATOM 0 H ARG A 458 -2.279 -7.836 0.714 1.00 0.00 H new ATOM 0 HA ARG A 458 -3.323 -5.519 -0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 458 -3.978 -7.920 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 458 -4.720 -7.967 0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 458 -6.269 -6.117 0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 458 -5.521 -6.051 -1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 458 -6.919 -8.503 -0.402 1.00 0.00 H new ATOM 0 HD3 ARG A 458 -7.639 -7.397 -1.555 1.00 0.00 H new ATOM 0 HE ARG A 458 -5.256 -8.220 -2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 458 -8.163 -9.798 -1.493 1.00 0.00 H new ATOM 0 HH12 ARG A 458 -8.055 -11.154 -2.621 1.00 0.00 H new ATOM 0 HH21 ARG A 458 -5.140 -9.980 -4.211 1.00 0.00 H new ATOM 0 HH22 ARG A 458 -6.360 -11.256 -4.147 1.00 0.00 H new ATOM 521 N SER A 459 -4.017 -5.787 2.683 1.00 0.00 N ATOM 522 CA SER A 459 -4.645 -5.112 3.811 1.00 0.00 C ATOM 523 C SER A 459 -4.044 -3.729 4.029 1.00 0.00 C ATOM 524 O SER A 459 -4.776 -2.743 4.138 1.00 0.00 O ATOM 525 CB SER A 459 -4.449 -5.965 5.062 1.00 0.00 C ATOM 526 OG SER A 459 -5.162 -7.176 4.936 1.00 0.00 O ATOM 0 H SER A 459 -3.457 -6.599 2.943 1.00 0.00 H new ATOM 0 HA SER A 459 -5.707 -4.985 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 459 -3.389 -6.171 5.209 1.00 0.00 H new ATOM 0 HB3 SER A 459 -4.793 -5.420 5.941 1.00 0.00 H new ATOM 0 HG SER A 459 -5.030 -7.719 5.741 1.00 0.00 H new ATOM 532 N CYS A 460 -2.716 -3.651 4.094 1.00 0.00 N ATOM 533 CA CYS A 460 -2.041 -2.400 4.397 1.00 0.00 C ATOM 534 C CYS A 460 -1.808 -1.564 3.141 1.00 0.00 C ATOM 535 O CYS A 460 -1.546 -0.364 3.242 1.00 0.00 O ATOM 536 CB CYS A 460 -0.754 -2.707 5.160 1.00 0.00 C ATOM 537 SG CYS A 460 0.242 -3.878 4.212 1.00 0.00 S ATOM 0 H CYS A 460 -2.090 -4.442 3.940 1.00 0.00 H new ATOM 0 HA CYS A 460 -2.677 -1.784 5.034 1.00 0.00 H new ATOM 0 HB2 CYS A 460 -0.192 -1.789 5.330 1.00 0.00 H new ATOM 0 HB3 CYS A 460 -0.990 -3.123 6.140 1.00 0.00 H new ATOM 542 N TRP A 461 -1.909 -2.179 1.957 1.00 0.00 N ATOM 543 CA TRP A 461 -1.863 -1.422 0.722 1.00 0.00 C ATOM 544 C TRP A 461 -3.060 -0.481 0.700 1.00 0.00 C ATOM 545 O TRP A 461 -2.931 0.664 0.273 1.00 0.00 O ATOM 546 CB TRP A 461 -1.899 -2.359 -0.485 1.00 0.00 C ATOM 547 CG TRP A 461 -1.866 -1.643 -1.800 1.00 0.00 C ATOM 548 CD1 TRP A 461 -2.928 -1.075 -2.414 1.00 0.00 C ATOM 549 CD2 TRP A 461 -0.727 -1.399 -2.676 1.00 0.00 C ATOM 550 NE1 TRP A 461 -2.520 -0.474 -3.588 1.00 0.00 N ATOM 551 CE2 TRP A 461 -1.164 -0.625 -3.788 1.00 0.00 C ATOM 552 CE3 TRP A 461 0.639 -1.734 -2.632 1.00 0.00 C ATOM 553 CZ2 TRP A 461 -0.290 -0.179 -4.786 1.00 0.00 C ATOM 554 CZ3 TRP A 461 1.521 -1.307 -3.637 1.00 0.00 C ATOM 555 CH2 TRP A 461 1.065 -0.523 -4.703 1.00 0.00 C ATOM 0 H TRP A 461 -2.021 -3.186 1.838 1.00 0.00 H new ATOM 0 HA TRP A 461 -0.936 -0.852 0.669 1.00 0.00 H new ATOM 0 HB2 TRP A 461 -1.050 -3.041 -0.431 1.00 0.00 H new ATOM 0 HB3 TRP A 461 -2.801 -2.968 -0.435 1.00 0.00 H new ATOM 0 HD1 TRP A 461 -3.942 -1.089 -2.042 1.00 0.00 H new ATOM 0 HE1 TRP A 461 -3.143 0.020 -4.227 1.00 0.00 H new ATOM 0 HE3 TRP A 461 1.015 -2.329 -1.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 -0.655 0.421 -5.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 2.563 -1.587 -3.587 1.00 0.00 H new ATOM 0 HH2 TRP A 461 1.757 -0.184 -5.460 1.00 0.00 H new ATOM 566 N HIS A 462 -4.226 -0.941 1.162 1.00 0.00 N ATOM 567 CA HIS A 462 -5.400 -0.087 1.212 1.00 0.00 C ATOM 568 C HIS A 462 -5.327 0.873 2.396 1.00 0.00 C ATOM 569 O HIS A 462 -5.945 1.933 2.352 1.00 0.00 O ATOM 570 CB HIS A 462 -6.659 -0.951 1.285 1.00 0.00 C ATOM 571 CG HIS A 462 -6.879 -1.788 0.050 1.00 0.00 C ATOM 572 ND1 HIS A 462 -6.583 -1.399 -1.259 1.00 0.00 N ATOM 573 CD2 HIS A 462 -7.409 -3.046 0.036 1.00 0.00 C ATOM 574 CE1 HIS A 462 -6.944 -2.438 -2.031 1.00 0.00 C ATOM 575 NE2 HIS A 462 -7.441 -3.438 -1.281 1.00 0.00 N ATOM 0 H HIS A 462 -4.375 -1.891 1.502 1.00 0.00 H new ATOM 0 HA HIS A 462 -5.437 0.516 0.304 1.00 0.00 H new ATOM 0 HB2 HIS A 462 -6.592 -1.607 2.153 1.00 0.00 H new ATOM 0 HB3 HIS A 462 -7.525 -0.307 1.438 1.00 0.00 H new ATOM 0 HD2 HIS A 462 -7.738 -3.619 0.890 1.00 0.00 H new ATOM 0 HE1 HIS A 462 -6.848 -2.466 -3.106 1.00 0.00 H new ATOM 0 HE2 HIS A 462 -7.783 -4.333 -1.630 1.00 0.00 H new ATOM 583 N TRP A 463 -4.583 0.536 3.456 1.00 0.00 N ATOM 584 CA TRP A 463 -4.429 1.459 4.573 1.00 0.00 C ATOM 585 C TRP A 463 -3.576 2.669 4.188 1.00 0.00 C ATOM 586 O TRP A 463 -3.585 3.668 4.909 1.00 0.00 O ATOM 587 CB TRP A 463 -3.821 0.743 5.782 1.00 0.00 C ATOM 588 CG TRP A 463 -4.621 -0.386 6.355 1.00 0.00 C ATOM 589 CD1 TRP A 463 -5.955 -0.566 6.225 1.00 0.00 C ATOM 590 CD2 TRP A 463 -4.153 -1.508 7.164 1.00 0.00 C ATOM 591 NE1 TRP A 463 -6.339 -1.713 6.890 1.00 0.00 N ATOM 592 CE2 TRP A 463 -5.262 -2.341 7.481 1.00 0.00 C ATOM 593 CE3 TRP A 463 -2.900 -1.903 7.662 1.00 0.00 C ATOM 594 CZ2 TRP A 463 -5.130 -3.512 8.238 1.00 0.00 C ATOM 595 CZ3 TRP A 463 -2.754 -3.076 8.420 1.00 0.00 C ATOM 596 CH2 TRP A 463 -3.864 -3.882 8.708 1.00 0.00 C ATOM 0 H TRP A 463 -4.090 -0.351 3.559 1.00 0.00 H new ATOM 0 HA TRP A 463 -5.422 1.821 4.840 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -2.842 0.358 5.495 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -3.656 1.479 6.569 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -6.620 0.089 5.682 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -7.299 -2.054 6.938 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -2.033 -1.293 7.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -5.994 -4.122 8.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -1.778 -3.360 8.784 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -3.743 -4.784 9.290 1.00 0.00 H new ATOM 607 N ARG A 464 -2.845 2.598 3.070 1.00 0.00 N ATOM 608 CA ARG A 464 -2.052 3.720 2.586 1.00 0.00 C ATOM 609 C ARG A 464 -2.580 4.282 1.269 1.00 0.00 C ATOM 610 O ARG A 464 -2.398 5.467 1.002 1.00 0.00 O ATOM 611 CB ARG A 464 -0.596 3.274 2.444 1.00 0.00 C ATOM 612 CG ARG A 464 0.255 4.465 2.005 1.00 0.00 C ATOM 613 CD ARG A 464 1.729 4.105 1.860 1.00 0.00 C ATOM 614 NE ARG A 464 2.355 3.803 3.150 1.00 0.00 N ATOM 615 CZ ARG A 464 3.661 3.962 3.387 1.00 0.00 C ATOM 616 NH1 ARG A 464 4.476 4.387 2.424 1.00 0.00 N ATOM 617 NH2 ARG A 464 4.159 3.698 4.590 1.00 0.00 N ATOM 0 H ARG A 464 -2.790 1.765 2.483 1.00 0.00 H new ATOM 0 HA ARG A 464 -2.124 4.529 3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -0.230 2.880 3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -0.520 2.469 1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -0.119 4.844 1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 464 0.150 5.270 2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 464 1.827 3.243 1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 464 2.258 4.932 1.386 1.00 0.00 H new ATOM 0 HE ARG A 464 1.765 3.454 3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 464 4.105 4.594 1.497 1.00 0.00 H new ATOM 0 HH12 ARG A 464 5.471 4.506 2.614 1.00 0.00 H new ATOM 0 HH21 ARG A 464 3.544 3.373 5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 464 5.156 3.820 4.767 1.00 0.00 H new ATOM 631 N HIS A 465 -3.228 3.458 0.444 1.00 0.00 N ATOM 632 CA HIS A 465 -3.614 3.868 -0.899 1.00 0.00 C ATOM 633 C HIS A 465 -5.123 4.038 -1.069 1.00 0.00 C ATOM 634 O HIS A 465 -5.587 4.269 -2.186 1.00 0.00 O ATOM 635 CB HIS A 465 -3.020 2.888 -1.912 1.00 0.00 C ATOM 636 CG HIS A 465 -1.528 2.728 -1.774 1.00 0.00 C ATOM 637 ND1 HIS A 465 -0.867 1.551 -1.516 1.00 0.00 N ATOM 638 CD2 HIS A 465 -0.575 3.708 -1.867 1.00 0.00 C ATOM 639 CE1 HIS A 465 0.449 1.810 -1.460 1.00 0.00 C ATOM 640 NE2 HIS A 465 0.687 3.119 -1.670 1.00 0.00 N ATOM 0 H HIS A 465 -3.495 2.504 0.686 1.00 0.00 H new ATOM 0 HA HIS A 465 -3.205 4.862 -1.081 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -3.497 1.915 -1.790 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -3.251 3.232 -2.920 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -1.302 0.637 -1.389 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -0.761 4.754 -2.059 1.00 0.00 H new ATOM 0 HE1 HIS A 465 1.213 1.070 -1.272 1.00 0.00 H new ATOM 648 N SER A 466 -5.906 3.931 0.009 1.00 0.00 N ATOM 649 CA SER A 466 -7.340 4.189 -0.064 1.00 0.00 C ATOM 650 C SER A 466 -7.611 5.696 -0.056 1.00 0.00 C ATOM 651 O SER A 466 -8.708 6.132 -0.399 1.00 0.00 O ATOM 652 CB SER A 466 -8.048 3.489 1.096 1.00 0.00 C ATOM 653 OG SER A 466 -9.443 3.704 1.021 1.00 0.00 O ATOM 0 H SER A 466 -5.570 3.669 0.936 1.00 0.00 H new ATOM 0 HA SER A 466 -7.733 3.788 -0.998 1.00 0.00 H new ATOM 0 HB2 SER A 466 -7.836 2.420 1.069 1.00 0.00 H new ATOM 0 HB3 SER A 466 -7.666 3.866 2.045 1.00 0.00 H new ATOM 0 HG SER A 466 -9.885 3.249 1.768 1.00 0.00 H new ATOM 659 N MET A 467 -6.613 6.498 0.335 1.00 0.00 N ATOM 660 CA MET A 467 -6.727 7.949 0.304 1.00 0.00 C ATOM 661 C MET A 467 -6.628 8.437 -1.139 1.00 0.00 C ATOM 662 O MET A 467 -5.974 7.806 -1.966 1.00 0.00 O ATOM 663 CB MET A 467 -5.662 8.586 1.198 1.00 0.00 C ATOM 664 CG MET A 467 -4.250 8.308 0.680 1.00 0.00 C ATOM 665 SD MET A 467 -2.919 9.000 1.699 1.00 0.00 S ATOM 666 CE MET A 467 -3.113 7.993 3.193 1.00 0.00 C ATOM 0 H MET A 467 -5.715 6.157 0.678 1.00 0.00 H new ATOM 0 HA MET A 467 -7.698 8.250 0.697 1.00 0.00 H new ATOM 0 HB2 MET A 467 -5.826 9.662 1.249 1.00 0.00 H new ATOM 0 HB3 MET A 467 -5.760 8.200 2.213 1.00 0.00 H new ATOM 0 HG2 MET A 467 -4.110 7.229 0.607 1.00 0.00 H new ATOM 0 HG3 MET A 467 -4.162 8.710 -0.330 1.00 0.00 H new ATOM 0 HE1 MET A 467 -2.225 8.092 3.817 1.00 0.00 H new ATOM 0 HE2 MET A 467 -3.987 8.332 3.749 1.00 0.00 H new ATOM 0 HE3 MET A 467 -3.245 6.948 2.913 1.00 0.00 H new ATOM 676 N GLU A 468 -7.274 9.566 -1.444 1.00 0.00 N ATOM 677 CA GLU A 468 -7.330 10.078 -2.807 1.00 0.00 C ATOM 678 C GLU A 468 -6.004 10.696 -3.250 1.00 0.00 C ATOM 679 O GLU A 468 -5.854 11.043 -4.422 1.00 0.00 O ATOM 680 CB GLU A 468 -8.464 11.101 -2.919 1.00 0.00 C ATOM 681 CG GLU A 468 -9.816 10.451 -2.624 1.00 0.00 C ATOM 682 CD GLU A 468 -10.950 11.457 -2.795 1.00 0.00 C ATOM 683 OE1 GLU A 468 -11.226 12.192 -1.820 1.00 0.00 O ATOM 684 OE2 GLU A 468 -11.535 11.487 -3.902 1.00 0.00 O ATOM 0 H GLU A 468 -7.765 10.141 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 468 -7.523 9.238 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -8.290 11.921 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -8.474 11.531 -3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -9.971 9.604 -3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -9.822 10.059 -1.607 1.00 0.00 H new ATOM 691 N GLY A 469 -5.040 10.834 -2.334 1.00 0.00 N ATOM 692 CA GLY A 469 -3.763 11.455 -2.643 1.00 0.00 C ATOM 693 C GLY A 469 -2.744 10.492 -3.254 1.00 0.00 C ATOM 694 O GLY A 469 -1.787 10.950 -3.876 1.00 0.00 O ATOM 0 H GLY A 469 -5.128 10.519 -1.368 1.00 0.00 H new ATOM 0 HA2 GLY A 469 -3.929 12.282 -3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 469 -3.346 11.881 -1.731 1.00 0.00 H new ATOM 698 N LEU A 470 -2.930 9.174 -3.092 1.00 0.00 N ATOM 699 CA LEU A 470 -1.955 8.181 -3.538 1.00 0.00 C ATOM 700 C LEU A 470 -2.576 7.125 -4.457 1.00 0.00 C ATOM 701 O LEU A 470 -2.025 6.035 -4.593 1.00 0.00 O ATOM 702 CB LEU A 470 -1.266 7.514 -2.340 1.00 0.00 C ATOM 703 CG LEU A 470 -0.557 8.489 -1.397 1.00 0.00 C ATOM 704 CD1 LEU A 470 0.119 7.706 -0.277 1.00 0.00 C ATOM 705 CD2 LEU A 470 0.511 9.334 -2.090 1.00 0.00 C ATOM 0 H LEU A 470 -3.757 8.773 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 470 -1.206 8.715 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 470 -2.010 6.955 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 470 -0.539 6.791 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 470 -1.324 9.164 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 470 0.625 8.398 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 470 -0.632 7.143 0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 470 0.848 7.017 -0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 470 0.973 10.003 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 470 1.271 8.680 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 470 0.051 9.923 -2.884 1.00 0.00 H new ATOM 717 N ARG A 471 -3.715 7.427 -5.091 1.00 0.00 N ATOM 718 CA ARG A 471 -4.378 6.485 -5.989 1.00 0.00 C ATOM 719 C ARG A 471 -3.575 6.246 -7.269 1.00 0.00 C ATOM 720 O ARG A 471 -3.971 5.426 -8.095 1.00 0.00 O ATOM 721 CB ARG A 471 -5.777 6.997 -6.344 1.00 0.00 C ATOM 722 CG ARG A 471 -6.677 7.038 -5.111 1.00 0.00 C ATOM 723 CD ARG A 471 -8.090 7.500 -5.485 1.00 0.00 C ATOM 724 NE ARG A 471 -8.738 6.550 -6.398 1.00 0.00 N ATOM 725 CZ ARG A 471 -9.882 6.795 -7.042 1.00 0.00 C ATOM 726 NH1 ARG A 471 -10.527 7.947 -6.874 1.00 0.00 N ATOM 727 NH2 ARG A 471 -10.388 5.881 -7.862 1.00 0.00 N ATOM 0 H ARG A 471 -4.196 8.322 -4.995 1.00 0.00 H new ATOM 0 HA ARG A 471 -4.454 5.533 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -5.703 7.994 -6.778 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -6.222 6.352 -7.102 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -6.722 6.049 -4.654 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -6.253 7.713 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -8.691 7.607 -4.582 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -8.041 8.483 -5.954 1.00 0.00 H new ATOM 0 HE ARG A 471 -8.287 5.648 -6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -10.148 8.657 -6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -11.400 8.120 -7.373 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -9.903 4.994 -7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -11.262 6.066 -8.355 1.00 0.00 H new ATOM 741 N HIS A 472 -2.453 6.951 -7.441 1.00 0.00 N ATOM 742 CA HIS A 472 -1.616 6.840 -8.625 1.00 0.00 C ATOM 743 C HIS A 472 -0.545 5.761 -8.472 1.00 0.00 C ATOM 744 O HIS A 472 0.196 5.501 -9.418 1.00 0.00 O ATOM 745 CB HIS A 472 -0.992 8.203 -8.916 1.00 0.00 C ATOM 746 CG HIS A 472 -0.074 8.681 -7.822 1.00 0.00 C ATOM 747 ND1 HIS A 472 -0.480 9.180 -6.582 1.00 0.00 N ATOM 748 CD2 HIS A 472 1.290 8.691 -7.885 1.00 0.00 C ATOM 749 CE1 HIS A 472 0.656 9.479 -5.931 1.00 0.00 C ATOM 750 NE2 HIS A 472 1.732 9.200 -6.689 1.00 0.00 N ATOM 0 H HIS A 472 -2.103 7.618 -6.753 1.00 0.00 H new ATOM 0 HA HIS A 472 -2.237 6.534 -9.467 1.00 0.00 H new ATOM 0 HB2 HIS A 472 -0.435 8.148 -9.851 1.00 0.00 H new ATOM 0 HB3 HIS A 472 -1.786 8.935 -9.061 1.00 0.00 H new ATOM 0 HD2 HIS A 472 1.901 8.363 -8.713 1.00 0.00 H new ATOM 0 HE1 HIS A 472 0.700 9.889 -4.933 1.00 0.00 H new ATOM 0 HE2 HIS A 472 2.706 9.342 -6.422 1.00 0.00 H new ATOM 758 N HIS A 473 -0.444 5.132 -7.295 1.00 0.00 N ATOM 759 CA HIS A 473 0.518 4.066 -7.068 1.00 0.00 C ATOM 760 C HIS A 473 0.033 2.767 -7.704 1.00 0.00 C ATOM 761 O HIS A 473 -1.170 2.549 -7.847 1.00 0.00 O ATOM 762 CB HIS A 473 0.735 3.856 -5.566 1.00 0.00 C ATOM 763 CG HIS A 473 1.308 5.044 -4.837 1.00 0.00 C ATOM 764 ND1 HIS A 473 1.633 5.079 -3.475 1.00 0.00 N ATOM 765 CD2 HIS A 473 1.586 6.257 -5.393 1.00 0.00 C ATOM 766 CE1 HIS A 473 2.051 6.334 -3.243 1.00 0.00 C ATOM 767 NE2 HIS A 473 2.052 7.055 -4.375 1.00 0.00 N ATOM 0 H HIS A 473 -1.024 5.350 -6.485 1.00 0.00 H new ATOM 0 HA HIS A 473 1.463 4.354 -7.528 1.00 0.00 H new ATOM 0 HB2 HIS A 473 -0.219 3.593 -5.109 1.00 0.00 H new ATOM 0 HB3 HIS A 473 1.402 3.005 -5.425 1.00 0.00 H new ATOM 0 HD2 HIS A 473 1.464 6.536 -6.429 1.00 0.00 H new ATOM 0 HE1 HIS A 473 2.347 6.712 -2.276 1.00 0.00 H new ATOM 0 HE2 HIS A 473 2.347 8.027 -4.465 1.00 0.00 H new ATOM 775 N SER A 474 0.978 1.905 -8.084 1.00 0.00 N ATOM 776 CA SER A 474 0.679 0.595 -8.642 1.00 0.00 C ATOM 777 C SER A 474 1.673 -0.427 -8.097 1.00 0.00 C ATOM 778 O SER A 474 2.818 -0.069 -7.823 1.00 0.00 O ATOM 779 CB SER A 474 0.745 0.638 -10.170 1.00 0.00 C ATOM 780 OG SER A 474 -0.193 1.561 -10.684 1.00 0.00 O ATOM 0 H SER A 474 1.976 2.102 -8.011 1.00 0.00 H new ATOM 0 HA SER A 474 -0.331 0.304 -8.352 1.00 0.00 H new ATOM 0 HB2 SER A 474 1.749 0.917 -10.488 1.00 0.00 H new ATOM 0 HB3 SER A 474 0.547 -0.354 -10.576 1.00 0.00 H new ATOM 0 HG SER A 474 -0.135 1.576 -11.662 1.00 0.00 H new ATOM 786 N PRO A 475 1.256 -1.688 -7.933 1.00 0.00 N ATOM 787 CA PRO A 475 2.098 -2.742 -7.391 1.00 0.00 C ATOM 788 C PRO A 475 3.404 -2.916 -8.163 1.00 0.00 C ATOM 789 O PRO A 475 3.494 -2.588 -9.345 1.00 0.00 O ATOM 790 CB PRO A 475 1.255 -4.015 -7.450 1.00 0.00 C ATOM 791 CG PRO A 475 -0.177 -3.490 -7.419 1.00 0.00 C ATOM 792 CD PRO A 475 -0.072 -2.198 -8.221 1.00 0.00 C ATOM 0 HA PRO A 475 2.404 -2.496 -6.374 1.00 0.00 H new ATOM 0 HB2 PRO A 475 1.454 -4.587 -8.356 1.00 0.00 H new ATOM 0 HB3 PRO A 475 1.461 -4.673 -6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 475 -0.877 -4.193 -7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 475 -0.521 -3.309 -6.401 1.00 0.00 H new ATOM 0 HD2 PRO A 475 -0.202 -2.383 -9.287 1.00 0.00 H new ATOM 0 HD3 PRO A 475 -0.842 -1.485 -7.925 1.00 0.00 H new ATOM 800 N LEU A 476 4.418 -3.444 -7.475 1.00 0.00 N ATOM 801 CA LEU A 476 5.721 -3.744 -8.047 1.00 0.00 C ATOM 802 C LEU A 476 6.186 -5.104 -7.527 1.00 0.00 C ATOM 803 O LEU A 476 5.762 -5.539 -6.456 1.00 0.00 O ATOM 804 CB LEU A 476 6.697 -2.619 -7.687 1.00 0.00 C ATOM 805 CG LEU A 476 8.068 -2.762 -8.362 1.00 0.00 C ATOM 806 CD1 LEU A 476 7.936 -2.712 -9.885 1.00 0.00 C ATOM 807 CD2 LEU A 476 8.968 -1.611 -7.923 1.00 0.00 C ATOM 0 H LEU A 476 4.349 -3.678 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 476 5.670 -3.801 -9.134 1.00 0.00 H new ATOM 0 HB2 LEU A 476 6.258 -1.663 -7.971 1.00 0.00 H new ATOM 0 HB3 LEU A 476 6.833 -2.598 -6.606 1.00 0.00 H new ATOM 0 HG LEU A 476 8.493 -3.722 -8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 476 8.921 -2.815 -10.339 1.00 0.00 H new ATOM 0 HD12 LEU A 476 7.294 -3.526 -10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 476 7.498 -1.759 -10.181 1.00 0.00 H new ATOM 0 HD21 LEU A 476 9.943 -1.709 -8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 476 8.515 -0.663 -8.214 1.00 0.00 H new ATOM 0 HD23 LEU A 476 9.090 -1.637 -6.840 1.00 0.00 H new ATOM 819 N MET A 477 7.056 -5.777 -8.284 1.00 0.00 N ATOM 820 CA MET A 477 7.536 -7.107 -7.945 1.00 0.00 C ATOM 821 C MET A 477 9.023 -7.229 -8.281 1.00 0.00 C ATOM 822 O MET A 477 9.545 -6.452 -9.080 1.00 0.00 O ATOM 823 CB MET A 477 6.699 -8.133 -8.718 1.00 0.00 C ATOM 824 CG MET A 477 6.993 -9.568 -8.279 1.00 0.00 C ATOM 825 SD MET A 477 5.964 -10.806 -9.108 1.00 0.00 S ATOM 826 CE MET A 477 6.622 -12.300 -8.326 1.00 0.00 C ATOM 0 H MET A 477 7.445 -5.408 -9.152 1.00 0.00 H new ATOM 0 HA MET A 477 7.428 -7.292 -6.876 1.00 0.00 H new ATOM 0 HB2 MET A 477 5.640 -7.920 -8.571 1.00 0.00 H new ATOM 0 HB3 MET A 477 6.899 -8.033 -9.785 1.00 0.00 H new ATOM 0 HG2 MET A 477 8.042 -9.791 -8.474 1.00 0.00 H new ATOM 0 HG3 MET A 477 6.845 -9.647 -7.202 1.00 0.00 H new ATOM 0 HE1 MET A 477 6.102 -13.175 -8.717 1.00 0.00 H new ATOM 0 HE2 MET A 477 7.687 -12.384 -8.541 1.00 0.00 H new ATOM 0 HE3 MET A 477 6.473 -12.242 -7.248 1.00 0.00 H new ATOM 836 N ARG A 478 9.705 -8.208 -7.674 1.00 0.00 N ATOM 837 CA ARG A 478 11.131 -8.449 -7.873 1.00 0.00 C ATOM 838 C ARG A 478 11.455 -8.782 -9.334 1.00 0.00 C ATOM 839 O ARG A 478 12.608 -8.698 -9.748 1.00 0.00 O ATOM 840 CB ARG A 478 11.539 -9.608 -6.951 1.00 0.00 C ATOM 841 CG ARG A 478 13.051 -9.847 -6.895 1.00 0.00 C ATOM 842 CD ARG A 478 13.805 -8.652 -6.307 1.00 0.00 C ATOM 843 NE ARG A 478 13.390 -8.388 -4.925 1.00 0.00 N ATOM 844 CZ ARG A 478 13.850 -9.051 -3.859 1.00 0.00 C ATOM 845 NH1 ARG A 478 14.755 -10.017 -3.994 1.00 0.00 N ATOM 846 NH2 ARG A 478 13.400 -8.749 -2.645 1.00 0.00 N ATOM 0 H ARG A 478 9.271 -8.862 -7.022 1.00 0.00 H new ATOM 0 HA ARG A 478 11.691 -7.546 -7.631 1.00 0.00 H new ATOM 0 HB2 ARG A 478 11.175 -9.405 -5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 478 11.048 -10.520 -7.290 1.00 0.00 H new ATOM 0 HG2 ARG A 478 13.255 -10.734 -6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 478 13.422 -10.050 -7.900 1.00 0.00 H new ATOM 0 HD2 ARG A 478 14.877 -8.846 -6.336 1.00 0.00 H new ATOM 0 HD3 ARG A 478 13.624 -7.768 -6.919 1.00 0.00 H new ATOM 0 HE ARG A 478 12.705 -7.649 -4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 478 15.107 -10.260 -4.920 1.00 0.00 H new ATOM 0 HH12 ARG A 478 15.097 -10.514 -3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 478 12.705 -8.012 -2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 478 13.750 -9.254 -1.831 1.00 0.00 H new ATOM 860 N ASN A 479 10.437 -9.160 -10.113 1.00 0.00 N ATOM 861 CA ASN A 479 10.601 -9.533 -11.512 1.00 0.00 C ATOM 862 C ASN A 479 10.479 -8.318 -12.438 1.00 0.00 C ATOM 863 O ASN A 479 10.458 -8.475 -13.657 1.00 0.00 O ATOM 864 CB ASN A 479 9.581 -10.618 -11.874 1.00 0.00 C ATOM 865 CG ASN A 479 9.805 -11.917 -11.107 1.00 0.00 C ATOM 866 OD1 ASN A 479 10.751 -12.047 -10.333 1.00 0.00 O ATOM 867 ND2 ASN A 479 8.930 -12.896 -11.316 1.00 0.00 N ATOM 0 H ASN A 479 9.473 -9.214 -9.784 1.00 0.00 H new ATOM 0 HA ASN A 479 11.606 -9.932 -11.652 1.00 0.00 H new ATOM 0 HB2 ASN A 479 8.576 -10.249 -11.669 1.00 0.00 H new ATOM 0 HB3 ASN A 479 9.635 -10.819 -12.944 1.00 0.00 H new ATOM 0 HD21 ASN A 479 9.034 -13.785 -10.828 1.00 0.00 H new ATOM 0 HD22 ASN A 479 8.155 -12.758 -11.965 1.00 0.00 H new ATOM 874 N GLN A 480 10.400 -7.109 -11.870 1.00 0.00 N ATOM 875 CA GLN A 480 10.271 -5.869 -12.627 1.00 0.00 C ATOM 876 C GLN A 480 11.235 -4.807 -12.103 1.00 0.00 C ATOM 877 O GLN A 480 11.751 -4.920 -10.990 1.00 0.00 O ATOM 878 CB GLN A 480 8.826 -5.359 -12.548 1.00 0.00 C ATOM 879 CG GLN A 480 7.831 -6.321 -13.203 1.00 0.00 C ATOM 880 CD GLN A 480 8.020 -6.436 -14.716 1.00 0.00 C ATOM 881 OE1 GLN A 480 8.791 -5.694 -15.323 1.00 0.00 O ATOM 882 NE2 GLN A 480 7.314 -7.372 -15.341 1.00 0.00 N ATOM 0 H GLN A 480 10.425 -6.968 -10.860 1.00 0.00 H new ATOM 0 HA GLN A 480 10.524 -6.071 -13.668 1.00 0.00 H new ATOM 0 HB2 GLN A 480 8.552 -5.213 -11.503 1.00 0.00 H new ATOM 0 HB3 GLN A 480 8.760 -4.386 -13.034 1.00 0.00 H new ATOM 0 HG2 GLN A 480 7.938 -7.308 -12.753 1.00 0.00 H new ATOM 0 HG3 GLN A 480 6.816 -5.983 -12.994 1.00 0.00 H new ATOM 0 HE21 GLN A 480 6.682 -7.973 -14.812 1.00 0.00 H new ATOM 0 HE22 GLN A 480 7.404 -7.490 -16.350 1.00 0.00 H new ATOM 891 N LYS A 481 11.473 -3.771 -12.915 1.00 0.00 N ATOM 892 CA LYS A 481 12.373 -2.672 -12.570 1.00 0.00 C ATOM 893 C LYS A 481 11.721 -1.314 -12.812 1.00 0.00 C ATOM 894 O LYS A 481 12.378 -0.282 -12.694 1.00 0.00 O ATOM 895 CB LYS A 481 13.682 -2.801 -13.357 1.00 0.00 C ATOM 896 CG LYS A 481 14.391 -4.115 -13.019 1.00 0.00 C ATOM 897 CD LYS A 481 15.750 -4.212 -13.710 1.00 0.00 C ATOM 898 CE LYS A 481 15.597 -4.183 -15.230 1.00 0.00 C ATOM 899 NZ LYS A 481 16.904 -4.337 -15.897 1.00 0.00 N ATOM 0 H LYS A 481 11.043 -3.674 -13.835 1.00 0.00 H new ATOM 0 HA LYS A 481 12.595 -2.735 -11.505 1.00 0.00 H new ATOM 0 HB2 LYS A 481 13.475 -2.759 -14.426 1.00 0.00 H new ATOM 0 HB3 LYS A 481 14.335 -1.960 -13.126 1.00 0.00 H new ATOM 0 HG2 LYS A 481 14.524 -4.191 -11.940 1.00 0.00 H new ATOM 0 HG3 LYS A 481 13.766 -4.955 -13.323 1.00 0.00 H new ATOM 0 HD2 LYS A 481 16.384 -3.386 -13.389 1.00 0.00 H new ATOM 0 HD3 LYS A 481 16.250 -5.133 -13.409 1.00 0.00 H new ATOM 0 HE2 LYS A 481 14.927 -4.982 -15.547 1.00 0.00 H new ATOM 0 HE3 LYS A 481 15.138 -3.243 -15.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 16.772 -4.314 -16.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 17.533 -3.560 -15.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 17.329 -5.246 -15.623 1.00 0.00 H new ATOM 913 N ASN A 482 10.427 -1.307 -13.153 1.00 0.00 N ATOM 914 CA ASN A 482 9.679 -0.088 -13.423 1.00 0.00 C ATOM 915 C ASN A 482 8.241 -0.254 -12.924 1.00 0.00 C ATOM 916 O ASN A 482 7.772 -1.379 -12.755 1.00 0.00 O ATOM 917 CB ASN A 482 9.729 0.204 -14.927 1.00 0.00 C ATOM 918 CG ASN A 482 9.219 1.596 -15.277 1.00 0.00 C ATOM 919 OD1 ASN A 482 9.052 2.450 -14.408 1.00 0.00 O ATOM 920 ND2 ASN A 482 8.965 1.839 -16.559 1.00 0.00 N ATOM 0 H ASN A 482 9.871 -2.157 -13.248 1.00 0.00 H new ATOM 0 HA ASN A 482 10.119 0.759 -12.896 1.00 0.00 H new ATOM 0 HB2 ASN A 482 10.755 0.099 -15.279 1.00 0.00 H new ATOM 0 HB3 ASN A 482 9.133 -0.540 -15.457 1.00 0.00 H new ATOM 0 HD21 ASN A 482 8.621 2.755 -16.846 1.00 0.00 H new ATOM 0 HD22 ASN A 482 9.114 1.109 -17.256 1.00 0.00 H new ATOM 927 N ARG A 483 7.547 0.863 -12.690 1.00 0.00 N ATOM 928 CA ARG A 483 6.206 0.867 -12.125 1.00 0.00 C ATOM 929 C ARG A 483 5.200 1.414 -13.134 1.00 0.00 C ATOM 930 O ARG A 483 5.569 2.146 -14.051 1.00 0.00 O ATOM 931 CB ARG A 483 6.215 1.724 -10.854 1.00 0.00 C ATOM 932 CG ARG A 483 5.040 1.389 -9.929 1.00 0.00 C ATOM 933 CD ARG A 483 4.780 2.547 -8.970 1.00 0.00 C ATOM 934 NE ARG A 483 4.134 3.667 -9.669 1.00 0.00 N ATOM 935 CZ ARG A 483 4.095 4.926 -9.224 1.00 0.00 C ATOM 936 NH1 ARG A 483 4.667 5.264 -8.073 1.00 0.00 N ATOM 937 NH2 ARG A 483 3.477 5.858 -9.940 1.00 0.00 N ATOM 0 H ARG A 483 7.908 1.795 -12.891 1.00 0.00 H new ATOM 0 HA ARG A 483 5.907 -0.152 -11.880 1.00 0.00 H new ATOM 0 HB2 ARG A 483 7.153 1.571 -10.320 1.00 0.00 H new ATOM 0 HB3 ARG A 483 6.173 2.778 -11.127 1.00 0.00 H new ATOM 0 HG2 ARG A 483 4.147 1.189 -10.521 1.00 0.00 H new ATOM 0 HG3 ARG A 483 5.258 0.482 -9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 483 4.147 2.210 -8.149 1.00 0.00 H new ATOM 0 HD3 ARG A 483 5.720 2.880 -8.531 1.00 0.00 H new ATOM 0 HE ARG A 483 3.681 3.468 -10.561 1.00 0.00 H new ATOM 0 HH11 ARG A 483 5.145 4.557 -7.514 1.00 0.00 H new ATOM 0 HH12 ARG A 483 4.628 6.230 -7.748 1.00 0.00 H new ATOM 0 HH21 ARG A 483 3.035 5.611 -10.825 1.00 0.00 H new ATOM 0 HH22 ARG A 483 3.444 6.821 -9.605 1.00 0.00 H new ATOM 951 N ASP A 484 3.927 1.056 -12.960 1.00 0.00 N ATOM 952 CA ASP A 484 2.836 1.590 -13.758 1.00 0.00 C ATOM 953 C ASP A 484 2.241 2.812 -13.056 1.00 0.00 C ATOM 954 O ASP A 484 2.489 3.024 -11.868 1.00 0.00 O ATOM 955 CB ASP A 484 1.797 0.487 -13.986 1.00 0.00 C ATOM 956 CG ASP A 484 0.692 0.934 -14.938 1.00 0.00 C ATOM 957 OD1 ASP A 484 1.030 1.587 -15.951 1.00 0.00 O ATOM 958 OD2 ASP A 484 -0.483 0.618 -14.645 1.00 0.00 O ATOM 0 H ASP A 484 3.628 0.382 -12.255 1.00 0.00 H new ATOM 0 HA ASP A 484 3.195 1.917 -14.734 1.00 0.00 H new ATOM 0 HB2 ASP A 484 2.289 -0.397 -14.391 1.00 0.00 H new ATOM 0 HB3 ASP A 484 1.358 0.198 -13.031 1.00 0.00 H new ATOM 963 N SER A 485 1.458 3.617 -13.781 1.00 0.00 N ATOM 964 CA SER A 485 0.849 4.827 -13.239 1.00 0.00 C ATOM 965 C SER A 485 -0.526 5.074 -13.861 1.00 0.00 C ATOM 966 O SER A 485 -0.867 4.472 -14.879 1.00 0.00 O ATOM 967 CB SER A 485 1.752 6.031 -13.510 1.00 0.00 C ATOM 968 OG SER A 485 2.978 5.884 -12.827 1.00 0.00 O ATOM 0 H SER A 485 1.231 3.444 -14.760 1.00 0.00 H new ATOM 0 HA SER A 485 0.727 4.693 -12.164 1.00 0.00 H new ATOM 0 HB2 SER A 485 1.933 6.125 -14.581 1.00 0.00 H new ATOM 0 HB3 SER A 485 1.256 6.947 -13.189 1.00 0.00 H new ATOM 0 HG SER A 485 3.221 6.734 -12.404 1.00 0.00 H new ATOM 974 N SER A 486 -1.308 5.965 -13.245 1.00 0.00 N ATOM 975 CA SER A 486 -2.643 6.317 -13.708 1.00 0.00 C ATOM 976 C SER A 486 -2.946 7.790 -13.449 1.00 0.00 C ATOM 977 O SER A 486 -2.224 8.409 -12.638 1.00 0.00 O ATOM 978 CB SER A 486 -3.674 5.431 -13.009 1.00 0.00 C ATOM 979 OG SER A 486 -3.598 5.612 -11.610 1.00 0.00 O ATOM 980 OXT SER A 486 -3.909 8.287 -14.077 1.00 0.00 O ATOM 0 H SER A 486 -1.024 6.465 -12.402 1.00 0.00 H new ATOM 0 HA SER A 486 -2.693 6.153 -14.784 1.00 0.00 H new ATOM 0 HB2 SER A 486 -4.676 5.677 -13.362 1.00 0.00 H new ATOM 0 HB3 SER A 486 -3.496 4.385 -13.259 1.00 0.00 H new ATOM 0 HG SER A 486 -4.263 5.042 -11.170 1.00 0.00 H new TER 986 SER A 486 HETATM 987 ZN ZN A 501 0.506 -5.563 5.223 1.00 0.00 ZN HETATM 988 ZN ZN A 502 2.443 3.705 -2.311 1.00 0.00 ZN