USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 465 HIS HE2 : A 465 HIS NE2 : A 502 ZNZN :(H bumps) USER MOD NoAdj-H: A 473 HIS HD1 : A 473 HIS ND1 : A 502 ZNZN :(H bumps) USER MOD Set 1.1: A 482 ASN : amide:sc= -0.0908 K(o=0.026,f=-5!) USER MOD Set 1.2: A 485 SER OG : rot 180:sc= 0.117 USER MOD Set 2.1: A 436 HIS : no HD1:sc= -0.014 K(o=0.087,f=-1.5) USER MOD Set 2.2: A 454 LYS NZ :NH3+ -144:sc= 0.101 (180deg=-0.223) USER MOD Single : A 429 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 439 SER OG : rot 180:sc= 0 USER MOD Single : A 440 SER OG : rot 68:sc= 0.731 USER MOD Single : A 441 GLN : amide:sc= 0.694 K(o=0.69,f=-0.1) USER MOD Single : A 450 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 455 TYR OH : rot 30:sc= 0.209 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 462 HIS : no HD1:sc=-0.00185 X(o=-0.0019,f=-0.038) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 MET CE :methyl 163:sc= -0.0411 (180deg=-0.376) USER MOD Single : A 472 HIS : no HD1:sc= -0.663 K(o=-0.66,f=-2.9!) USER MOD Single : A 474 SER OG : rot 180:sc= 0 USER MOD Single : A 477 MET CE :methyl 164:sc= -0.0272 (180deg=-0.353) USER MOD Single : A 479 ASN : amide:sc= 0.79 K(o=0.79,f=-0.086) USER MOD Single : A 480 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 481 LYS NZ :NH3+ 171:sc= 1.22 (180deg=1.08) USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 426 18.045 -10.054 -1.963 1.00 0.00 N ATOM 2 CA ILE A 426 17.006 -10.233 -0.924 1.00 0.00 C ATOM 3 C ILE A 426 15.865 -11.090 -1.456 1.00 0.00 C ATOM 4 O ILE A 426 15.697 -11.237 -2.666 1.00 0.00 O ATOM 5 CB ILE A 426 16.488 -8.888 -0.391 1.00 0.00 C ATOM 6 CG1 ILE A 426 15.879 -8.052 -1.527 1.00 0.00 C ATOM 7 CG2 ILE A 426 17.634 -8.141 0.298 1.00 0.00 C ATOM 8 CD1 ILE A 426 15.302 -6.732 -1.007 1.00 0.00 C ATOM 0 HA ILE A 426 17.465 -10.751 -0.082 1.00 0.00 H new ATOM 0 HB ILE A 426 15.698 -9.068 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 426 16.642 -7.846 -2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 426 15.093 -8.624 -2.020 1.00 0.00 H new ATOM 0 HG21 ILE A 426 17.270 -7.186 0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 426 18.013 -8.740 1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 426 18.436 -7.965 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 426 14.880 -6.167 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 426 14.521 -6.939 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 426 16.094 -6.149 -0.537 1.00 0.00 H new ATOM 22 N ASP A 427 15.071 -11.654 -0.545 1.00 0.00 N ATOM 23 CA ASP A 427 13.975 -12.555 -0.875 1.00 0.00 C ATOM 24 C ASP A 427 12.768 -12.240 0.014 1.00 0.00 C ATOM 25 O ASP A 427 12.935 -11.696 1.103 1.00 0.00 O ATOM 26 CB ASP A 427 14.435 -13.998 -0.667 1.00 0.00 C ATOM 27 CG ASP A 427 15.547 -14.373 -1.649 1.00 0.00 C ATOM 28 OD1 ASP A 427 15.206 -14.782 -2.782 1.00 0.00 O ATOM 29 OD2 ASP A 427 16.733 -14.246 -1.260 1.00 0.00 O ATOM 0 H ASP A 427 15.176 -11.493 0.457 1.00 0.00 H new ATOM 0 HA ASP A 427 13.682 -12.423 -1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 427 14.791 -14.125 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 427 13.590 -14.674 -0.796 1.00 0.00 H new ATOM 34 N PRO A 428 11.546 -12.573 -0.432 1.00 0.00 N ATOM 35 CA PRO A 428 10.317 -12.289 0.300 1.00 0.00 C ATOM 36 C PRO A 428 10.221 -13.075 1.609 1.00 0.00 C ATOM 37 O PRO A 428 9.286 -12.866 2.381 1.00 0.00 O ATOM 38 CB PRO A 428 9.189 -12.653 -0.665 1.00 0.00 C ATOM 39 CG PRO A 428 9.812 -13.734 -1.543 1.00 0.00 C ATOM 40 CD PRO A 428 11.252 -13.246 -1.685 1.00 0.00 C ATOM 0 HA PRO A 428 10.271 -11.244 0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 428 8.310 -13.022 -0.136 1.00 0.00 H new ATOM 0 HB3 PRO A 428 8.869 -11.792 -1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 428 9.760 -14.718 -1.076 1.00 0.00 H new ATOM 0 HG3 PRO A 428 9.312 -13.812 -2.508 1.00 0.00 H new ATOM 0 HD2 PRO A 428 11.935 -14.078 -1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 428 11.357 -12.568 -2.532 1.00 0.00 H new ATOM 48 N TYR A 429 11.178 -13.977 1.861 1.00 0.00 N ATOM 49 CA TYR A 429 11.230 -14.740 3.102 1.00 0.00 C ATOM 50 C TYR A 429 12.027 -13.992 4.174 1.00 0.00 C ATOM 51 O TYR A 429 12.042 -14.401 5.338 1.00 0.00 O ATOM 52 CB TYR A 429 11.833 -16.114 2.802 1.00 0.00 C ATOM 53 CG TYR A 429 11.821 -17.075 3.971 1.00 0.00 C ATOM 54 CD1 TYR A 429 10.599 -17.550 4.481 1.00 0.00 C ATOM 55 CD2 TYR A 429 13.027 -17.489 4.552 1.00 0.00 C ATOM 56 CE1 TYR A 429 10.579 -18.439 5.563 1.00 0.00 C ATOM 57 CE2 TYR A 429 13.016 -18.379 5.643 1.00 0.00 C ATOM 58 CZ TYR A 429 11.788 -18.856 6.151 1.00 0.00 C ATOM 59 OH TYR A 429 11.778 -19.723 7.205 1.00 0.00 O ATOM 0 H TYR A 429 11.932 -14.194 1.210 1.00 0.00 H new ATOM 0 HA TYR A 429 10.224 -14.871 3.500 1.00 0.00 H new ATOM 0 HB2 TYR A 429 11.286 -16.563 1.973 1.00 0.00 H new ATOM 0 HB3 TYR A 429 12.862 -15.980 2.469 1.00 0.00 H new ATOM 0 HD1 TYR A 429 9.670 -17.227 4.035 1.00 0.00 H new ATOM 0 HD2 TYR A 429 13.966 -17.125 4.162 1.00 0.00 H new ATOM 0 HE1 TYR A 429 9.637 -18.804 5.946 1.00 0.00 H new ATOM 0 HE2 TYR A 429 13.946 -18.697 6.091 1.00 0.00 H new ATOM 0 HH TYR A 429 12.699 -19.906 7.487 1.00 0.00 H new ATOM 69 N LEU A 430 12.692 -12.897 3.789 1.00 0.00 N ATOM 70 CA LEU A 430 13.496 -12.094 4.699 1.00 0.00 C ATOM 71 C LEU A 430 12.613 -11.082 5.430 1.00 0.00 C ATOM 72 O LEU A 430 11.596 -10.635 4.900 1.00 0.00 O ATOM 73 CB LEU A 430 14.600 -11.411 3.887 1.00 0.00 C ATOM 74 CG LEU A 430 15.604 -10.646 4.752 1.00 0.00 C ATOM 75 CD1 LEU A 430 16.336 -11.577 5.717 1.00 0.00 C ATOM 76 CD2 LEU A 430 16.637 -9.977 3.850 1.00 0.00 C ATOM 0 H LEU A 430 12.683 -12.546 2.831 1.00 0.00 H new ATOM 0 HA LEU A 430 13.957 -12.721 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 430 15.132 -12.164 3.305 1.00 0.00 H new ATOM 0 HB3 LEU A 430 14.145 -10.722 3.176 1.00 0.00 H new ATOM 0 HG LEU A 430 15.052 -9.906 5.331 1.00 0.00 H new ATOM 0 HD11 LEU A 430 17.041 -11.000 6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 430 15.613 -12.061 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 430 16.877 -12.336 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 430 17.355 -9.431 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 430 17.160 -10.737 3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 430 16.136 -9.285 3.174 1.00 0.00 H new ATOM 88 N GLU A 431 12.999 -10.715 6.653 1.00 0.00 N ATOM 89 CA GLU A 431 12.219 -9.801 7.482 1.00 0.00 C ATOM 90 C GLU A 431 12.218 -8.377 6.920 1.00 0.00 C ATOM 91 O GLU A 431 11.406 -7.555 7.340 1.00 0.00 O ATOM 92 CB GLU A 431 12.781 -9.808 8.905 1.00 0.00 C ATOM 93 CG GLU A 431 12.657 -11.194 9.530 1.00 0.00 C ATOM 94 CD GLU A 431 13.165 -11.191 10.971 1.00 0.00 C ATOM 95 OE1 GLU A 431 14.386 -11.400 11.151 1.00 0.00 O ATOM 96 OE2 GLU A 431 12.331 -10.985 11.878 1.00 0.00 O ATOM 0 H GLU A 431 13.859 -11.043 7.094 1.00 0.00 H new ATOM 0 HA GLU A 431 11.185 -10.145 7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 431 13.828 -9.504 8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 431 12.247 -9.080 9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 431 11.616 -11.515 9.508 1.00 0.00 H new ATOM 0 HG3 GLU A 431 13.225 -11.915 8.942 1.00 0.00 H new ATOM 103 N ASP A 432 13.116 -8.087 5.976 1.00 0.00 N ATOM 104 CA ASP A 432 13.203 -6.771 5.350 1.00 0.00 C ATOM 105 C ASP A 432 12.283 -6.683 4.129 1.00 0.00 C ATOM 106 O ASP A 432 12.055 -5.597 3.596 1.00 0.00 O ATOM 107 CB ASP A 432 14.659 -6.501 4.974 1.00 0.00 C ATOM 108 CG ASP A 432 14.856 -5.087 4.426 1.00 0.00 C ATOM 109 OD1 ASP A 432 14.543 -4.131 5.169 1.00 0.00 O ATOM 110 OD2 ASP A 432 15.316 -4.976 3.268 1.00 0.00 O ATOM 0 H ASP A 432 13.801 -8.758 5.626 1.00 0.00 H new ATOM 0 HA ASP A 432 12.868 -6.008 6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 432 15.292 -6.642 5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 432 14.982 -7.227 4.228 1.00 0.00 H new ATOM 115 N SER A 433 11.748 -7.829 3.689 1.00 0.00 N ATOM 116 CA SER A 433 10.849 -7.902 2.546 1.00 0.00 C ATOM 117 C SER A 433 9.447 -8.313 2.994 1.00 0.00 C ATOM 118 O SER A 433 8.538 -8.400 2.173 1.00 0.00 O ATOM 119 CB SER A 433 11.400 -8.877 1.507 1.00 0.00 C ATOM 120 OG SER A 433 12.673 -8.448 1.065 1.00 0.00 O ATOM 0 H SER A 433 11.932 -8.733 4.123 1.00 0.00 H new ATOM 0 HA SER A 433 10.779 -6.915 2.088 1.00 0.00 H new ATOM 0 HB2 SER A 433 11.473 -9.876 1.937 1.00 0.00 H new ATOM 0 HB3 SER A 433 10.716 -8.944 0.661 1.00 0.00 H new ATOM 0 HG SER A 433 13.019 -9.080 0.401 1.00 0.00 H new ATOM 126 N LEU A 434 9.272 -8.565 4.293 1.00 0.00 N ATOM 127 CA LEU A 434 7.988 -8.874 4.883 1.00 0.00 C ATOM 128 C LEU A 434 7.111 -7.619 4.830 1.00 0.00 C ATOM 129 O LEU A 434 7.632 -6.523 4.643 1.00 0.00 O ATOM 130 CB LEU A 434 8.235 -9.313 6.329 1.00 0.00 C ATOM 131 CG LEU A 434 7.200 -10.307 6.835 1.00 0.00 C ATOM 132 CD1 LEU A 434 7.240 -11.636 6.082 1.00 0.00 C ATOM 133 CD2 LEU A 434 7.499 -10.606 8.302 1.00 0.00 C ATOM 0 H LEU A 434 10.037 -8.557 4.967 1.00 0.00 H new ATOM 0 HA LEU A 434 7.478 -9.673 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 434 9.226 -9.760 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 434 8.233 -8.435 6.975 1.00 0.00 H new ATOM 0 HG LEU A 434 6.218 -9.858 6.687 1.00 0.00 H new ATOM 0 HD11 LEU A 434 6.480 -12.306 6.485 1.00 0.00 H new ATOM 0 HD12 LEU A 434 7.044 -11.461 5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 434 8.224 -12.091 6.199 1.00 0.00 H new ATOM 0 HD21 LEU A 434 6.767 -11.318 8.685 1.00 0.00 H new ATOM 0 HD22 LEU A 434 8.499 -11.031 8.390 1.00 0.00 H new ATOM 0 HD23 LEU A 434 7.444 -9.683 8.880 1.00 0.00 H new ATOM 145 N CYS A 435 5.796 -7.764 5.000 1.00 0.00 N ATOM 146 CA CYS A 435 4.922 -6.601 5.055 1.00 0.00 C ATOM 147 C CYS A 435 5.407 -5.677 6.178 1.00 0.00 C ATOM 148 O CYS A 435 5.600 -6.119 7.309 1.00 0.00 O ATOM 149 CB CYS A 435 3.483 -7.071 5.271 1.00 0.00 C ATOM 150 SG CYS A 435 2.398 -5.650 5.505 1.00 0.00 S ATOM 0 H CYS A 435 5.322 -8.662 5.100 1.00 0.00 H new ATOM 0 HA CYS A 435 4.949 -6.039 4.122 1.00 0.00 H new ATOM 0 HB2 CYS A 435 3.150 -7.656 4.413 1.00 0.00 H new ATOM 0 HB3 CYS A 435 3.432 -7.725 6.142 1.00 0.00 H new ATOM 155 N HIS A 436 5.607 -4.393 5.870 1.00 0.00 N ATOM 156 CA HIS A 436 6.169 -3.445 6.822 1.00 0.00 C ATOM 157 C HIS A 436 5.110 -2.886 7.774 1.00 0.00 C ATOM 158 O HIS A 436 5.439 -2.080 8.644 1.00 0.00 O ATOM 159 CB HIS A 436 6.897 -2.325 6.074 1.00 0.00 C ATOM 160 CG HIS A 436 8.251 -2.731 5.553 1.00 0.00 C ATOM 161 ND1 HIS A 436 9.475 -2.227 6.010 1.00 0.00 N ATOM 162 CD2 HIS A 436 8.485 -3.641 4.564 1.00 0.00 C ATOM 163 CE1 HIS A 436 10.412 -2.861 5.287 1.00 0.00 C ATOM 164 NE2 HIS A 436 9.850 -3.713 4.413 1.00 0.00 N ATOM 0 H HIS A 436 5.385 -3.989 4.960 1.00 0.00 H new ATOM 0 HA HIS A 436 6.889 -3.978 7.443 1.00 0.00 H new ATOM 0 HB2 HIS A 436 6.279 -1.995 5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 436 7.014 -1.470 6.740 1.00 0.00 H new ATOM 0 HD2 HIS A 436 7.744 -4.196 4.008 1.00 0.00 H new ATOM 0 HE1 HIS A 436 11.476 -2.707 5.394 1.00 0.00 H new ATOM 0 HE2 HIS A 436 10.349 -4.309 3.753 1.00 0.00 H new ATOM 172 N ILE A 437 3.850 -3.304 7.626 1.00 0.00 N ATOM 173 CA ILE A 437 2.766 -2.833 8.482 1.00 0.00 C ATOM 174 C ILE A 437 2.093 -4.006 9.190 1.00 0.00 C ATOM 175 O ILE A 437 1.505 -3.822 10.257 1.00 0.00 O ATOM 176 CB ILE A 437 1.747 -2.075 7.623 1.00 0.00 C ATOM 177 CG1 ILE A 437 2.388 -0.943 6.807 1.00 0.00 C ATOM 178 CG2 ILE A 437 0.627 -1.499 8.495 1.00 0.00 C ATOM 179 CD1 ILE A 437 2.976 0.172 7.678 1.00 0.00 C ATOM 0 H ILE A 437 3.557 -3.973 6.914 1.00 0.00 H new ATOM 0 HA ILE A 437 3.171 -2.167 9.244 1.00 0.00 H new ATOM 0 HB ILE A 437 1.335 -2.801 6.922 1.00 0.00 H new ATOM 0 HG12 ILE A 437 3.176 -1.358 6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 437 1.639 -0.517 6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 437 -0.085 -0.965 7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 437 0.116 -2.310 9.014 1.00 0.00 H new ATOM 0 HG23 ILE A 437 1.052 -0.811 9.226 1.00 0.00 H new ATOM 0 HD11 ILE A 437 3.413 0.940 7.040 1.00 0.00 H new ATOM 0 HD12 ILE A 437 2.187 0.612 8.287 1.00 0.00 H new ATOM 0 HD13 ILE A 437 3.747 -0.242 8.328 1.00 0.00 H new ATOM 191 N CYS A 438 2.178 -5.202 8.603 1.00 0.00 N ATOM 192 CA CYS A 438 1.476 -6.367 9.109 1.00 0.00 C ATOM 193 C CYS A 438 2.452 -7.477 9.499 1.00 0.00 C ATOM 194 O CYS A 438 2.160 -8.267 10.394 1.00 0.00 O ATOM 195 CB CYS A 438 0.520 -6.856 8.016 1.00 0.00 C ATOM 196 SG CYS A 438 -0.389 -5.464 7.293 1.00 0.00 S ATOM 0 H CYS A 438 2.735 -5.382 7.768 1.00 0.00 H new ATOM 0 HA CYS A 438 0.921 -6.097 10.008 1.00 0.00 H new ATOM 0 HB2 CYS A 438 1.082 -7.373 7.238 1.00 0.00 H new ATOM 0 HB3 CYS A 438 -0.182 -7.577 8.435 1.00 0.00 H new ATOM 201 N SER A 439 3.608 -7.531 8.823 1.00 0.00 N ATOM 202 CA SER A 439 4.633 -8.557 9.008 1.00 0.00 C ATOM 203 C SER A 439 4.051 -9.955 9.213 1.00 0.00 C ATOM 204 O SER A 439 4.595 -10.751 9.974 1.00 0.00 O ATOM 205 CB SER A 439 5.640 -8.153 10.089 1.00 0.00 C ATOM 206 OG SER A 439 4.988 -7.713 11.264 1.00 0.00 O ATOM 0 H SER A 439 3.859 -6.842 8.114 1.00 0.00 H new ATOM 0 HA SER A 439 5.189 -8.623 8.073 1.00 0.00 H new ATOM 0 HB2 SER A 439 6.283 -9.001 10.324 1.00 0.00 H new ATOM 0 HB3 SER A 439 6.284 -7.360 9.710 1.00 0.00 H new ATOM 0 HG SER A 439 5.657 -7.464 11.936 1.00 0.00 H new ATOM 212 N SER A 440 2.939 -10.254 8.534 1.00 0.00 N ATOM 213 CA SER A 440 2.276 -11.544 8.616 1.00 0.00 C ATOM 214 C SER A 440 2.147 -12.187 7.237 1.00 0.00 C ATOM 215 O SER A 440 1.653 -13.309 7.124 1.00 0.00 O ATOM 216 CB SER A 440 0.898 -11.344 9.239 1.00 0.00 C ATOM 217 OG SER A 440 1.022 -10.934 10.584 1.00 0.00 O ATOM 0 H SER A 440 2.475 -9.596 7.908 1.00 0.00 H new ATOM 0 HA SER A 440 2.872 -12.215 9.234 1.00 0.00 H new ATOM 0 HB2 SER A 440 0.341 -10.596 8.674 1.00 0.00 H new ATOM 0 HB3 SER A 440 0.329 -12.272 9.186 1.00 0.00 H new ATOM 0 HG SER A 440 1.405 -10.033 10.617 1.00 0.00 H new ATOM 223 N GLN A 441 2.583 -11.485 6.189 1.00 0.00 N ATOM 224 CA GLN A 441 2.573 -11.979 4.820 1.00 0.00 C ATOM 225 C GLN A 441 3.920 -11.678 4.164 1.00 0.00 C ATOM 226 O GLN A 441 4.630 -10.779 4.609 1.00 0.00 O ATOM 227 CB GLN A 441 1.439 -11.314 4.037 1.00 0.00 C ATOM 228 CG GLN A 441 0.056 -11.786 4.490 1.00 0.00 C ATOM 229 CD GLN A 441 -0.215 -13.224 4.068 1.00 0.00 C ATOM 230 OE1 GLN A 441 -0.745 -13.471 2.987 1.00 0.00 O ATOM 231 NE2 GLN A 441 0.140 -14.189 4.911 1.00 0.00 N ATOM 0 H GLN A 441 2.959 -10.541 6.275 1.00 0.00 H new ATOM 0 HA GLN A 441 2.410 -13.057 4.820 1.00 0.00 H new ATOM 0 HB2 GLN A 441 1.506 -10.233 4.155 1.00 0.00 H new ATOM 0 HB3 GLN A 441 1.562 -11.527 2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 441 -0.019 -11.705 5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 441 -0.708 -11.133 4.068 1.00 0.00 H new ATOM 0 HE21 GLN A 441 0.578 -13.953 5.801 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -0.026 -15.166 4.667 1.00 0.00 H new ATOM 240 N PRO A 442 4.273 -12.421 3.105 1.00 0.00 N ATOM 241 CA PRO A 442 5.547 -12.327 2.406 1.00 0.00 C ATOM 242 C PRO A 442 5.798 -10.980 1.721 1.00 0.00 C ATOM 243 O PRO A 442 6.796 -10.837 1.018 1.00 0.00 O ATOM 244 CB PRO A 442 5.523 -13.452 1.363 1.00 0.00 C ATOM 245 CG PRO A 442 4.463 -14.421 1.876 1.00 0.00 C ATOM 246 CD PRO A 442 3.461 -13.471 2.521 1.00 0.00 C ATOM 0 HA PRO A 442 6.358 -12.418 3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 442 5.268 -13.072 0.374 1.00 0.00 H new ATOM 0 HB3 PRO A 442 6.496 -13.936 1.278 1.00 0.00 H new ATOM 0 HG2 PRO A 442 4.015 -15.002 1.070 1.00 0.00 H new ATOM 0 HG3 PRO A 442 4.872 -15.133 2.593 1.00 0.00 H new ATOM 0 HD2 PRO A 442 2.765 -13.070 1.784 1.00 0.00 H new ATOM 0 HD3 PRO A 442 2.865 -13.979 3.279 1.00 0.00 H new ATOM 254 N GLY A 443 4.908 -9.999 1.911 1.00 0.00 N ATOM 255 CA GLY A 443 5.016 -8.719 1.232 1.00 0.00 C ATOM 256 C GLY A 443 4.754 -8.902 -0.263 1.00 0.00 C ATOM 257 O GLY A 443 5.644 -8.659 -1.076 1.00 0.00 O ATOM 0 H GLY A 443 4.104 -10.076 2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 443 4.300 -8.013 1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 443 6.009 -8.297 1.388 1.00 0.00 H new ATOM 261 N PRO A 444 3.541 -9.332 -0.637 1.00 0.00 N ATOM 262 CA PRO A 444 3.184 -9.668 -2.012 1.00 0.00 C ATOM 263 C PRO A 444 3.145 -8.433 -2.911 1.00 0.00 C ATOM 264 O PRO A 444 3.034 -8.569 -4.127 1.00 0.00 O ATOM 265 CB PRO A 444 1.800 -10.315 -1.910 1.00 0.00 C ATOM 266 CG PRO A 444 1.203 -9.640 -0.678 1.00 0.00 C ATOM 267 CD PRO A 444 2.409 -9.529 0.245 1.00 0.00 C ATOM 0 HA PRO A 444 3.921 -10.331 -2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 444 1.201 -10.132 -2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 444 1.867 -11.396 -1.787 1.00 0.00 H new ATOM 0 HG2 PRO A 444 0.780 -8.664 -0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 444 0.405 -10.235 -0.235 1.00 0.00 H new ATOM 0 HD2 PRO A 444 2.300 -8.695 0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 444 2.530 -10.430 0.846 1.00 0.00 H new ATOM 275 N PHE A 445 3.234 -7.235 -2.324 1.00 0.00 N ATOM 276 CA PHE A 445 3.249 -5.994 -3.077 1.00 0.00 C ATOM 277 C PHE A 445 4.370 -5.077 -2.596 1.00 0.00 C ATOM 278 O PHE A 445 4.843 -5.197 -1.467 1.00 0.00 O ATOM 279 CB PHE A 445 1.897 -5.291 -2.939 1.00 0.00 C ATOM 280 CG PHE A 445 0.719 -6.130 -3.379 1.00 0.00 C ATOM 281 CD1 PHE A 445 0.499 -6.381 -4.741 1.00 0.00 C ATOM 282 CD2 PHE A 445 -0.156 -6.657 -2.419 1.00 0.00 C ATOM 283 CE1 PHE A 445 -0.599 -7.155 -5.141 1.00 0.00 C ATOM 284 CE2 PHE A 445 -1.252 -7.434 -2.819 1.00 0.00 C ATOM 285 CZ PHE A 445 -1.474 -7.680 -4.179 1.00 0.00 C ATOM 0 H PHE A 445 3.297 -7.107 -1.314 1.00 0.00 H new ATOM 0 HA PHE A 445 3.430 -6.227 -4.126 1.00 0.00 H new ATOM 0 HB2 PHE A 445 1.755 -5.001 -1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 445 1.915 -4.373 -3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 445 1.175 -5.978 -5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 445 0.014 -6.464 -1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -0.771 -7.347 -6.190 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -1.924 -7.842 -2.079 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.321 -8.275 -4.488 1.00 0.00 H new ATOM 295 N PHE A 446 4.783 -4.159 -3.470 1.00 0.00 N ATOM 296 CA PHE A 446 5.761 -3.130 -3.169 1.00 0.00 C ATOM 297 C PHE A 446 5.305 -1.826 -3.810 1.00 0.00 C ATOM 298 O PHE A 446 4.575 -1.845 -4.801 1.00 0.00 O ATOM 299 CB PHE A 446 7.136 -3.557 -3.686 1.00 0.00 C ATOM 300 CG PHE A 446 8.247 -2.571 -3.392 1.00 0.00 C ATOM 301 CD1 PHE A 446 8.901 -2.611 -2.153 1.00 0.00 C ATOM 302 CD2 PHE A 446 8.634 -1.621 -4.353 1.00 0.00 C ATOM 303 CE1 PHE A 446 9.937 -1.707 -1.872 1.00 0.00 C ATOM 304 CE2 PHE A 446 9.672 -0.723 -4.072 1.00 0.00 C ATOM 305 CZ PHE A 446 10.324 -0.764 -2.833 1.00 0.00 C ATOM 0 H PHE A 446 4.435 -4.115 -4.428 1.00 0.00 H new ATOM 0 HA PHE A 446 5.844 -2.983 -2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 446 7.394 -4.519 -3.244 1.00 0.00 H new ATOM 0 HB3 PHE A 446 7.075 -3.707 -4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 446 8.607 -3.340 -1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 446 8.131 -1.583 -5.308 1.00 0.00 H new ATOM 0 HE1 PHE A 446 10.436 -1.738 -0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 446 9.970 0.003 -4.813 1.00 0.00 H new ATOM 0 HZ PHE A 446 11.123 -0.070 -2.619 1.00 0.00 H new ATOM 315 N CYS A 447 5.732 -0.695 -3.245 1.00 0.00 N ATOM 316 CA CYS A 447 5.355 0.618 -3.739 1.00 0.00 C ATOM 317 C CYS A 447 6.602 1.487 -3.870 1.00 0.00 C ATOM 318 O CYS A 447 7.431 1.536 -2.961 1.00 0.00 O ATOM 319 CB CYS A 447 4.297 1.205 -2.807 1.00 0.00 C ATOM 320 SG CYS A 447 3.591 2.702 -3.542 1.00 0.00 S ATOM 0 H CYS A 447 6.348 -0.670 -2.433 1.00 0.00 H new ATOM 0 HA CYS A 447 4.913 0.560 -4.734 1.00 0.00 H new ATOM 0 HB2 CYS A 447 3.511 0.472 -2.628 1.00 0.00 H new ATOM 0 HB3 CYS A 447 4.741 1.439 -1.840 1.00 0.00 H new ATOM 325 N ARG A 448 6.717 2.161 -5.019 1.00 0.00 N ATOM 326 CA ARG A 448 7.897 2.927 -5.388 1.00 0.00 C ATOM 327 C ARG A 448 7.498 4.351 -5.754 1.00 0.00 C ATOM 328 O ARG A 448 7.329 4.680 -6.929 1.00 0.00 O ATOM 329 CB ARG A 448 8.590 2.208 -6.546 1.00 0.00 C ATOM 330 CG ARG A 448 9.931 2.849 -6.896 1.00 0.00 C ATOM 331 CD ARG A 448 10.561 2.074 -8.051 1.00 0.00 C ATOM 332 NE ARG A 448 11.857 2.648 -8.428 1.00 0.00 N ATOM 333 CZ ARG A 448 12.619 2.189 -9.426 1.00 0.00 C ATOM 334 NH1 ARG A 448 12.231 1.148 -10.159 1.00 0.00 N ATOM 335 NH2 ARG A 448 13.781 2.776 -9.694 1.00 0.00 N ATOM 0 H ARG A 448 5.980 2.186 -5.723 1.00 0.00 H new ATOM 0 HA ARG A 448 8.593 2.997 -4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 448 8.746 1.162 -6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 448 7.941 2.222 -7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 448 9.789 3.893 -7.175 1.00 0.00 H new ATOM 0 HG3 ARG A 448 10.592 2.838 -6.029 1.00 0.00 H new ATOM 0 HD2 ARG A 448 10.692 1.031 -7.764 1.00 0.00 H new ATOM 0 HD3 ARG A 448 9.890 2.087 -8.910 1.00 0.00 H new ATOM 0 HE ARG A 448 12.198 3.448 -7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 448 11.341 0.689 -9.963 1.00 0.00 H new ATOM 0 HH12 ARG A 448 12.823 0.809 -10.917 1.00 0.00 H new ATOM 0 HH21 ARG A 448 14.089 3.574 -9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 448 14.365 2.428 -10.455 1.00 0.00 H new ATOM 349 N ASP A 449 7.346 5.191 -4.734 1.00 0.00 N ATOM 350 CA ASP A 449 6.991 6.592 -4.907 1.00 0.00 C ATOM 351 C ASP A 449 7.894 7.494 -4.068 1.00 0.00 C ATOM 352 O ASP A 449 8.781 7.016 -3.366 1.00 0.00 O ATOM 353 CB ASP A 449 5.528 6.787 -4.515 1.00 0.00 C ATOM 354 CG ASP A 449 4.960 8.065 -5.123 1.00 0.00 C ATOM 355 OD1 ASP A 449 4.957 8.164 -6.370 1.00 0.00 O ATOM 356 OD2 ASP A 449 4.534 8.940 -4.337 1.00 0.00 O ATOM 0 H ASP A 449 7.467 4.915 -3.760 1.00 0.00 H new ATOM 0 HA ASP A 449 7.130 6.868 -5.952 1.00 0.00 H new ATOM 0 HB2 ASP A 449 4.942 5.931 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 449 5.442 6.828 -3.429 1.00 0.00 H new ATOM 361 N GLN A 450 7.666 8.810 -4.134 1.00 0.00 N ATOM 362 CA GLN A 450 8.410 9.760 -3.324 1.00 0.00 C ATOM 363 C GLN A 450 7.973 9.703 -1.856 1.00 0.00 C ATOM 364 O GLN A 450 8.524 10.424 -1.025 1.00 0.00 O ATOM 365 CB GLN A 450 8.285 11.167 -3.918 1.00 0.00 C ATOM 366 CG GLN A 450 6.833 11.650 -3.949 1.00 0.00 C ATOM 367 CD GLN A 450 6.710 13.056 -4.527 1.00 0.00 C ATOM 368 OE1 GLN A 450 7.698 13.677 -4.912 1.00 0.00 O ATOM 369 NE2 GLN A 450 5.487 13.571 -4.593 1.00 0.00 N ATOM 0 H GLN A 450 6.968 9.235 -4.744 1.00 0.00 H new ATOM 0 HA GLN A 450 9.465 9.487 -3.339 1.00 0.00 H new ATOM 0 HB2 GLN A 450 8.886 11.862 -3.332 1.00 0.00 H new ATOM 0 HB3 GLN A 450 8.690 11.170 -4.930 1.00 0.00 H new ATOM 0 HG2 GLN A 450 6.234 10.960 -4.544 1.00 0.00 H new ATOM 0 HG3 GLN A 450 6.425 11.637 -2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 450 4.687 13.030 -4.265 1.00 0.00 H new ATOM 0 HE22 GLN A 450 5.348 14.508 -4.972 1.00 0.00 H new ATOM 378 N VAL A 451 6.988 8.856 -1.533 1.00 0.00 N ATOM 379 CA VAL A 451 6.555 8.625 -0.157 1.00 0.00 C ATOM 380 C VAL A 451 6.372 7.136 0.137 1.00 0.00 C ATOM 381 O VAL A 451 6.064 6.781 1.273 1.00 0.00 O ATOM 382 CB VAL A 451 5.258 9.381 0.159 1.00 0.00 C ATOM 383 CG1 VAL A 451 5.427 10.891 -0.002 1.00 0.00 C ATOM 384 CG2 VAL A 451 4.113 8.912 -0.741 1.00 0.00 C ATOM 0 H VAL A 451 6.470 8.312 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 451 7.347 9.008 0.487 1.00 0.00 H new ATOM 0 HB VAL A 451 5.018 9.162 1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 451 4.486 11.389 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 451 6.203 11.245 0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 451 5.713 11.118 -1.029 1.00 0.00 H new ATOM 0 HG21 VAL A 451 3.207 9.465 -0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 451 4.374 9.090 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 451 3.941 7.847 -0.586 1.00 0.00 H new ATOM 394 N CYS A 452 6.558 6.266 -0.864 1.00 0.00 N ATOM 395 CA CYS A 452 6.488 4.823 -0.670 1.00 0.00 C ATOM 396 C CYS A 452 7.813 4.169 -1.070 1.00 0.00 C ATOM 397 O CYS A 452 8.358 4.476 -2.130 1.00 0.00 O ATOM 398 CB CYS A 452 5.351 4.242 -1.503 1.00 0.00 C ATOM 399 SG CYS A 452 3.731 4.851 -0.961 1.00 0.00 S ATOM 0 H CYS A 452 6.760 6.546 -1.824 1.00 0.00 H new ATOM 0 HA CYS A 452 6.300 4.619 0.384 1.00 0.00 H new ATOM 0 HB2 CYS A 452 5.502 4.498 -2.552 1.00 0.00 H new ATOM 0 HB3 CYS A 452 5.371 3.154 -1.435 1.00 0.00 H new ATOM 404 N PHE A 453 8.330 3.266 -0.233 1.00 0.00 N ATOM 405 CA PHE A 453 9.574 2.562 -0.519 1.00 0.00 C ATOM 406 C PHE A 453 9.655 1.242 0.255 1.00 0.00 C ATOM 407 O PHE A 453 10.747 0.772 0.568 1.00 0.00 O ATOM 408 CB PHE A 453 10.758 3.475 -0.186 1.00 0.00 C ATOM 409 CG PHE A 453 12.084 2.984 -0.714 1.00 0.00 C ATOM 410 CD1 PHE A 453 12.270 2.815 -2.092 1.00 0.00 C ATOM 411 CD2 PHE A 453 13.130 2.694 0.173 1.00 0.00 C ATOM 412 CE1 PHE A 453 13.500 2.358 -2.582 1.00 0.00 C ATOM 413 CE2 PHE A 453 14.359 2.236 -0.317 1.00 0.00 C ATOM 414 CZ PHE A 453 14.545 2.066 -1.693 1.00 0.00 C ATOM 0 H PHE A 453 7.899 3.007 0.654 1.00 0.00 H new ATOM 0 HA PHE A 453 9.606 2.311 -1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 453 10.563 4.468 -0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 453 10.827 3.581 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 453 11.465 3.037 -2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 453 12.988 2.824 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 453 13.644 2.230 -3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 453 15.164 2.014 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 453 15.492 1.710 -2.071 1.00 0.00 H new ATOM 424 N LYS A 454 8.504 0.639 0.573 1.00 0.00 N ATOM 425 CA LYS A 454 8.439 -0.557 1.409 1.00 0.00 C ATOM 426 C LYS A 454 7.514 -1.613 0.812 1.00 0.00 C ATOM 427 O LYS A 454 6.751 -1.334 -0.115 1.00 0.00 O ATOM 428 CB LYS A 454 7.953 -0.161 2.806 1.00 0.00 C ATOM 429 CG LYS A 454 8.997 0.680 3.540 1.00 0.00 C ATOM 430 CD LYS A 454 8.457 1.080 4.914 1.00 0.00 C ATOM 431 CE LYS A 454 9.515 1.833 5.720 1.00 0.00 C ATOM 432 NZ LYS A 454 10.657 0.959 6.061 1.00 0.00 N ATOM 0 H LYS A 454 7.593 0.970 0.256 1.00 0.00 H new ATOM 0 HA LYS A 454 9.436 -0.994 1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 454 7.023 0.401 2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 454 7.733 -1.058 3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 454 9.922 0.114 3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 454 9.236 1.570 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 454 7.573 1.706 4.793 1.00 0.00 H new ATOM 0 HD3 LYS A 454 8.145 0.189 5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 454 9.869 2.690 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 454 9.068 2.224 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 11.011 1.204 7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 10.349 -0.034 6.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 11.416 1.091 5.363 1.00 0.00 H new ATOM 446 N TYR A 455 7.592 -2.830 1.357 1.00 0.00 N ATOM 447 CA TYR A 455 6.719 -3.926 0.967 1.00 0.00 C ATOM 448 C TYR A 455 5.447 -3.899 1.807 1.00 0.00 C ATOM 449 O TYR A 455 5.460 -3.448 2.953 1.00 0.00 O ATOM 450 CB TYR A 455 7.440 -5.265 1.121 1.00 0.00 C ATOM 451 CG TYR A 455 8.584 -5.466 0.155 1.00 0.00 C ATOM 452 CD1 TYR A 455 9.879 -5.048 0.495 1.00 0.00 C ATOM 453 CD2 TYR A 455 8.345 -6.077 -1.085 1.00 0.00 C ATOM 454 CE1 TYR A 455 10.939 -5.240 -0.406 1.00 0.00 C ATOM 455 CE2 TYR A 455 9.397 -6.270 -1.993 1.00 0.00 C ATOM 456 CZ TYR A 455 10.699 -5.849 -1.655 1.00 0.00 C ATOM 457 OH TYR A 455 11.725 -6.032 -2.533 1.00 0.00 O ATOM 0 H TYR A 455 8.266 -3.077 2.082 1.00 0.00 H new ATOM 0 HA TYR A 455 6.448 -3.807 -0.082 1.00 0.00 H new ATOM 0 HB2 TYR A 455 7.820 -5.345 2.139 1.00 0.00 H new ATOM 0 HB3 TYR A 455 6.719 -6.071 0.986 1.00 0.00 H new ATOM 0 HD1 TYR A 455 10.061 -4.578 1.450 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.347 -6.400 -1.342 1.00 0.00 H new ATOM 0 HE1 TYR A 455 11.937 -4.922 -0.143 1.00 0.00 H new ATOM 0 HE2 TYR A 455 9.210 -6.739 -2.947 1.00 0.00 H new ATOM 0 HH TYR A 455 12.562 -6.152 -2.038 1.00 0.00 H new ATOM 467 N PHE A 456 4.348 -4.387 1.230 1.00 0.00 N ATOM 468 CA PHE A 456 3.043 -4.374 1.864 1.00 0.00 C ATOM 469 C PHE A 456 2.228 -5.596 1.441 1.00 0.00 C ATOM 470 O PHE A 456 2.618 -6.331 0.537 1.00 0.00 O ATOM 471 CB PHE A 456 2.292 -3.108 1.442 1.00 0.00 C ATOM 472 CG PHE A 456 2.968 -1.807 1.810 1.00 0.00 C ATOM 473 CD1 PHE A 456 2.886 -1.320 3.123 1.00 0.00 C ATOM 474 CD2 PHE A 456 3.668 -1.080 0.838 1.00 0.00 C ATOM 475 CE1 PHE A 456 3.502 -0.109 3.461 1.00 0.00 C ATOM 476 CE2 PHE A 456 4.286 0.131 1.178 1.00 0.00 C ATOM 477 CZ PHE A 456 4.204 0.617 2.490 1.00 0.00 C ATOM 0 H PHE A 456 4.346 -4.805 0.300 1.00 0.00 H new ATOM 0 HA PHE A 456 3.179 -4.394 2.945 1.00 0.00 H new ATOM 0 HB2 PHE A 456 2.150 -3.132 0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 456 1.301 -3.125 1.895 1.00 0.00 H new ATOM 0 HD1 PHE A 456 2.347 -1.880 3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 456 3.731 -1.453 -0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 456 3.436 0.266 4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 456 4.826 0.690 0.428 1.00 0.00 H new ATOM 0 HZ PHE A 456 4.681 1.550 2.752 1.00 0.00 H new ATOM 487 N CYS A 457 1.091 -5.792 2.108 1.00 0.00 N ATOM 488 CA CYS A 457 0.110 -6.814 1.791 1.00 0.00 C ATOM 489 C CYS A 457 -1.187 -6.116 1.375 1.00 0.00 C ATOM 490 O CYS A 457 -1.270 -4.888 1.416 1.00 0.00 O ATOM 491 CB CYS A 457 -0.064 -7.748 2.994 1.00 0.00 C ATOM 492 SG CYS A 457 -0.593 -6.797 4.438 1.00 0.00 S ATOM 0 H CYS A 457 0.824 -5.221 2.910 1.00 0.00 H new ATOM 0 HA CYS A 457 0.434 -7.440 0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 457 -0.801 -8.518 2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 457 0.875 -8.259 3.208 1.00 0.00 H new ATOM 497 N ARG A 458 -2.211 -6.873 0.970 1.00 0.00 N ATOM 498 CA ARG A 458 -3.439 -6.277 0.455 1.00 0.00 C ATOM 499 C ARG A 458 -4.107 -5.377 1.496 1.00 0.00 C ATOM 500 O ARG A 458 -4.691 -4.351 1.141 1.00 0.00 O ATOM 501 CB ARG A 458 -4.380 -7.405 0.021 1.00 0.00 C ATOM 502 CG ARG A 458 -5.642 -6.847 -0.635 1.00 0.00 C ATOM 503 CD ARG A 458 -6.524 -7.995 -1.119 1.00 0.00 C ATOM 504 NE ARG A 458 -7.749 -7.494 -1.752 1.00 0.00 N ATOM 505 CZ ARG A 458 -7.859 -7.180 -3.047 1.00 0.00 C ATOM 506 NH1 ARG A 458 -6.823 -7.310 -3.872 1.00 0.00 N ATOM 507 NH2 ARG A 458 -9.016 -6.732 -3.525 1.00 0.00 N ATOM 0 H ARG A 458 -2.211 -7.893 0.990 1.00 0.00 H new ATOM 0 HA ARG A 458 -3.201 -5.643 -0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 458 -3.865 -8.064 -0.677 1.00 0.00 H new ATOM 0 HB3 ARG A 458 -4.653 -8.008 0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 458 -6.190 -6.230 0.077 1.00 0.00 H new ATOM 0 HG3 ARG A 458 -5.373 -6.204 -1.473 1.00 0.00 H new ATOM 0 HD2 ARG A 458 -5.969 -8.608 -1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 458 -6.783 -8.637 -0.277 1.00 0.00 H new ATOM 0 HE ARG A 458 -8.574 -7.377 -1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 458 -5.930 -7.653 -3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 458 -6.922 -7.066 -4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 458 -9.818 -6.628 -2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 458 -9.101 -6.492 -4.513 1.00 0.00 H new ATOM 521 N SER A 459 -4.026 -5.751 2.775 1.00 0.00 N ATOM 522 CA SER A 459 -4.698 -5.021 3.843 1.00 0.00 C ATOM 523 C SER A 459 -4.085 -3.640 4.040 1.00 0.00 C ATOM 524 O SER A 459 -4.806 -2.646 4.109 1.00 0.00 O ATOM 525 CB SER A 459 -4.586 -5.826 5.137 1.00 0.00 C ATOM 526 OG SER A 459 -5.304 -7.033 5.010 1.00 0.00 O ATOM 0 H SER A 459 -3.496 -6.562 3.094 1.00 0.00 H new ATOM 0 HA SER A 459 -5.745 -4.885 3.571 1.00 0.00 H new ATOM 0 HB2 SER A 459 -3.539 -6.036 5.357 1.00 0.00 H new ATOM 0 HB3 SER A 459 -4.977 -5.245 5.973 1.00 0.00 H new ATOM 0 HG SER A 459 -5.229 -7.547 5.841 1.00 0.00 H new ATOM 532 N CYS A 460 -2.758 -3.571 4.133 1.00 0.00 N ATOM 533 CA CYS A 460 -2.085 -2.320 4.421 1.00 0.00 C ATOM 534 C CYS A 460 -1.777 -1.547 3.143 1.00 0.00 C ATOM 535 O CYS A 460 -1.465 -0.357 3.204 1.00 0.00 O ATOM 536 CB CYS A 460 -0.852 -2.602 5.272 1.00 0.00 C ATOM 537 SG CYS A 460 0.224 -3.771 4.412 1.00 0.00 S ATOM 0 H CYS A 460 -2.134 -4.369 4.012 1.00 0.00 H new ATOM 0 HA CYS A 460 -2.743 -1.669 4.997 1.00 0.00 H new ATOM 0 HB2 CYS A 460 -0.314 -1.675 5.469 1.00 0.00 H new ATOM 0 HB3 CYS A 460 -1.150 -3.009 6.238 1.00 0.00 H new ATOM 542 N TRP A 461 -1.864 -2.198 1.979 1.00 0.00 N ATOM 543 CA TRP A 461 -1.777 -1.484 0.719 1.00 0.00 C ATOM 544 C TRP A 461 -2.938 -0.502 0.642 1.00 0.00 C ATOM 545 O TRP A 461 -2.760 0.625 0.190 1.00 0.00 O ATOM 546 CB TRP A 461 -1.852 -2.458 -0.459 1.00 0.00 C ATOM 547 CG TRP A 461 -1.885 -1.771 -1.788 1.00 0.00 C ATOM 548 CD1 TRP A 461 -2.997 -1.352 -2.428 1.00 0.00 C ATOM 549 CD2 TRP A 461 -0.770 -1.395 -2.651 1.00 0.00 C ATOM 550 NE1 TRP A 461 -2.648 -0.717 -3.602 1.00 0.00 N ATOM 551 CE2 TRP A 461 -1.281 -0.692 -3.779 1.00 0.00 C ATOM 552 CE3 TRP A 461 0.627 -1.555 -2.580 1.00 0.00 C ATOM 553 CZ2 TRP A 461 -0.452 -0.142 -4.761 1.00 0.00 C ATOM 554 CZ3 TRP A 461 1.464 -1.026 -3.573 1.00 0.00 C ATOM 555 CH2 TRP A 461 0.932 -0.315 -4.656 1.00 0.00 C ATOM 0 H TRP A 461 -1.993 -3.206 1.891 1.00 0.00 H new ATOM 0 HA TRP A 461 -0.825 -0.956 0.666 1.00 0.00 H new ATOM 0 HB2 TRP A 461 -0.993 -3.128 -0.424 1.00 0.00 H new ATOM 0 HB3 TRP A 461 -2.743 -3.077 -0.355 1.00 0.00 H new ATOM 0 HD1 TRP A 461 -4.008 -1.493 -2.074 1.00 0.00 H new ATOM 0 HE1 TRP A 461 -3.318 -0.316 -4.258 1.00 0.00 H new ATOM 0 HE3 TRP A 461 1.060 -2.093 -1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 -0.874 0.409 -5.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 2.532 -1.169 -3.502 1.00 0.00 H new ATOM 0 HH2 TRP A 461 1.588 0.098 -5.408 1.00 0.00 H new ATOM 566 N HIS A 462 -4.131 -0.912 1.085 1.00 0.00 N ATOM 567 CA HIS A 462 -5.274 -0.012 1.074 1.00 0.00 C ATOM 568 C HIS A 462 -5.172 1.006 2.206 1.00 0.00 C ATOM 569 O HIS A 462 -5.692 2.114 2.076 1.00 0.00 O ATOM 570 CB HIS A 462 -6.570 -0.817 1.180 1.00 0.00 C ATOM 571 CG HIS A 462 -6.827 -1.688 -0.021 1.00 0.00 C ATOM 572 ND1 HIS A 462 -6.684 -1.287 -1.352 1.00 0.00 N ATOM 573 CD2 HIS A 462 -7.232 -2.992 0.016 1.00 0.00 C ATOM 574 CE1 HIS A 462 -7.013 -2.365 -2.084 1.00 0.00 C ATOM 575 NE2 HIS A 462 -7.347 -3.401 -1.293 1.00 0.00 N ATOM 0 H HIS A 462 -4.323 -1.846 1.448 1.00 0.00 H new ATOM 0 HA HIS A 462 -5.280 0.537 0.133 1.00 0.00 H new ATOM 0 HB2 HIS A 462 -6.530 -1.442 2.072 1.00 0.00 H new ATOM 0 HB3 HIS A 462 -7.407 -0.131 1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 462 -7.424 -3.585 0.898 1.00 0.00 H new ATOM 0 HE1 HIS A 462 -7.010 -2.396 -3.164 1.00 0.00 H new ATOM 0 HE2 HIS A 462 -7.635 -4.327 -1.608 1.00 0.00 H new ATOM 583 N TRP A 463 -4.506 0.669 3.315 1.00 0.00 N ATOM 584 CA TRP A 463 -4.322 1.634 4.392 1.00 0.00 C ATOM 585 C TRP A 463 -3.349 2.742 3.986 1.00 0.00 C ATOM 586 O TRP A 463 -3.265 3.762 4.669 1.00 0.00 O ATOM 587 CB TRP A 463 -3.818 0.936 5.654 1.00 0.00 C ATOM 588 CG TRP A 463 -4.709 -0.122 6.233 1.00 0.00 C ATOM 589 CD1 TRP A 463 -6.047 -0.217 6.072 1.00 0.00 C ATOM 590 CD2 TRP A 463 -4.331 -1.248 7.079 1.00 0.00 C ATOM 591 NE1 TRP A 463 -6.521 -1.321 6.750 1.00 0.00 N ATOM 592 CE2 TRP A 463 -5.501 -2.003 7.384 1.00 0.00 C ATOM 593 CE3 TRP A 463 -3.116 -1.714 7.615 1.00 0.00 C ATOM 594 CZ2 TRP A 463 -5.463 -3.161 8.171 1.00 0.00 C ATOM 595 CZ3 TRP A 463 -3.065 -2.875 8.402 1.00 0.00 C ATOM 596 CH2 TRP A 463 -4.234 -3.598 8.680 1.00 0.00 C ATOM 0 H TRP A 463 -4.094 -0.248 3.485 1.00 0.00 H new ATOM 0 HA TRP A 463 -5.291 2.089 4.598 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -2.851 0.484 5.431 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -3.647 1.694 6.418 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -6.654 0.468 5.499 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -7.502 -1.599 6.779 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -2.206 -1.168 7.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -6.369 -3.709 8.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -2.118 -3.214 8.796 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -4.186 -4.491 9.286 1.00 0.00 H new ATOM 607 N ARG A 464 -2.613 2.552 2.882 1.00 0.00 N ATOM 608 CA ARG A 464 -1.647 3.530 2.389 1.00 0.00 C ATOM 609 C ARG A 464 -2.040 4.083 1.022 1.00 0.00 C ATOM 610 O ARG A 464 -1.471 5.084 0.594 1.00 0.00 O ATOM 611 CB ARG A 464 -0.273 2.847 2.352 1.00 0.00 C ATOM 612 CG ARG A 464 0.879 3.752 1.908 1.00 0.00 C ATOM 613 CD ARG A 464 1.025 4.957 2.834 1.00 0.00 C ATOM 614 NE ARG A 464 2.249 5.704 2.529 1.00 0.00 N ATOM 615 CZ ARG A 464 2.597 6.837 3.140 1.00 0.00 C ATOM 616 NH1 ARG A 464 1.815 7.381 4.068 1.00 0.00 N ATOM 617 NH2 ARG A 464 3.740 7.437 2.823 1.00 0.00 N ATOM 0 H ARG A 464 -2.675 1.711 2.308 1.00 0.00 H new ATOM 0 HA ARG A 464 -1.620 4.392 3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -0.049 2.457 3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 464 -0.326 1.992 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 464 1.809 3.183 1.899 1.00 0.00 H new ATOM 0 HG3 ARG A 464 0.704 4.094 0.888 1.00 0.00 H new ATOM 0 HD2 ARG A 464 0.159 5.610 2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 464 1.046 4.623 3.871 1.00 0.00 H new ATOM 0 HE ARG A 464 2.870 5.336 1.808 1.00 0.00 H new ATOM 0 HH11 ARG A 464 0.935 6.931 4.321 1.00 0.00 H new ATOM 0 HH12 ARG A 464 2.095 8.248 4.526 1.00 0.00 H new ATOM 0 HH21 ARG A 464 4.350 7.031 2.113 1.00 0.00 H new ATOM 0 HH22 ARG A 464 4.008 8.304 3.290 1.00 0.00 H new ATOM 631 N HIS A 465 -2.996 3.459 0.328 1.00 0.00 N ATOM 632 CA HIS A 465 -3.322 3.852 -1.039 1.00 0.00 C ATOM 633 C HIS A 465 -4.825 3.963 -1.310 1.00 0.00 C ATOM 634 O HIS A 465 -5.210 4.264 -2.437 1.00 0.00 O ATOM 635 CB HIS A 465 -2.673 2.865 -2.010 1.00 0.00 C ATOM 636 CG HIS A 465 -1.179 2.741 -1.839 1.00 0.00 C ATOM 637 ND1 HIS A 465 -0.485 1.569 -1.651 1.00 0.00 N ATOM 638 CD2 HIS A 465 -0.261 3.756 -1.842 1.00 0.00 C ATOM 639 CE1 HIS A 465 0.818 1.870 -1.550 1.00 0.00 C ATOM 640 NE2 HIS A 465 1.018 3.198 -1.665 1.00 0.00 N ATOM 0 H HIS A 465 -3.553 2.685 0.690 1.00 0.00 H new ATOM 0 HA HIS A 465 -2.924 4.856 -1.188 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -3.128 1.884 -1.875 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -2.888 3.179 -3.031 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -0.890 0.634 -1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -0.481 4.807 -1.960 1.00 0.00 H new ATOM 0 HE1 HIS A 465 1.603 1.144 -1.397 1.00 0.00 H new ATOM 648 N SER A 466 -5.687 3.731 -0.314 1.00 0.00 N ATOM 649 CA SER A 466 -7.120 3.928 -0.505 1.00 0.00 C ATOM 650 C SER A 466 -7.466 5.409 -0.370 1.00 0.00 C ATOM 651 O SER A 466 -8.538 5.847 -0.782 1.00 0.00 O ATOM 652 CB SER A 466 -7.902 3.088 0.509 1.00 0.00 C ATOM 653 OG SER A 466 -9.287 3.180 0.240 1.00 0.00 O ATOM 0 H SER A 466 -5.419 3.412 0.617 1.00 0.00 H new ATOM 0 HA SER A 466 -7.398 3.602 -1.507 1.00 0.00 H new ATOM 0 HB2 SER A 466 -7.581 2.048 0.458 1.00 0.00 H new ATOM 0 HB3 SER A 466 -7.695 3.437 1.521 1.00 0.00 H new ATOM 0 HG SER A 466 -9.783 2.640 0.890 1.00 0.00 H new ATOM 659 N MET A 467 -6.550 6.187 0.212 1.00 0.00 N ATOM 660 CA MET A 467 -6.711 7.627 0.363 1.00 0.00 C ATOM 661 C MET A 467 -6.622 8.314 -0.999 1.00 0.00 C ATOM 662 O MET A 467 -6.032 7.777 -1.937 1.00 0.00 O ATOM 663 CB MET A 467 -5.654 8.164 1.334 1.00 0.00 C ATOM 664 CG MET A 467 -4.237 7.907 0.816 1.00 0.00 C ATOM 665 SD MET A 467 -2.924 8.485 1.923 1.00 0.00 S ATOM 666 CE MET A 467 -3.189 7.366 3.321 1.00 0.00 C ATOM 0 H MET A 467 -5.673 5.830 0.592 1.00 0.00 H new ATOM 0 HA MET A 467 -7.696 7.843 0.777 1.00 0.00 H new ATOM 0 HB2 MET A 467 -5.801 9.234 1.479 1.00 0.00 H new ATOM 0 HB3 MET A 467 -5.778 7.690 2.308 1.00 0.00 H new ATOM 0 HG2 MET A 467 -4.112 6.837 0.650 1.00 0.00 H new ATOM 0 HG3 MET A 467 -4.122 8.395 -0.152 1.00 0.00 H new ATOM 0 HE1 MET A 467 -2.305 7.365 3.959 1.00 0.00 H new ATOM 0 HE2 MET A 467 -4.052 7.701 3.897 1.00 0.00 H new ATOM 0 HE3 MET A 467 -3.370 6.357 2.950 1.00 0.00 H new ATOM 676 N GLU A 468 -7.209 9.505 -1.108 1.00 0.00 N ATOM 677 CA GLU A 468 -7.234 10.247 -2.362 1.00 0.00 C ATOM 678 C GLU A 468 -5.874 10.866 -2.685 1.00 0.00 C ATOM 679 O GLU A 468 -5.703 11.448 -3.755 1.00 0.00 O ATOM 680 CB GLU A 468 -8.331 11.309 -2.301 1.00 0.00 C ATOM 681 CG GLU A 468 -8.044 12.346 -1.215 1.00 0.00 C ATOM 682 CD GLU A 468 -9.159 13.386 -1.151 1.00 0.00 C ATOM 683 OE1 GLU A 468 -9.060 14.385 -1.900 1.00 0.00 O ATOM 684 OE2 GLU A 468 -10.105 13.175 -0.357 1.00 0.00 O ATOM 0 H GLU A 468 -7.677 9.978 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 468 -7.456 9.552 -3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -8.413 11.806 -3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -9.291 10.832 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -7.947 11.850 -0.249 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -7.093 12.838 -1.418 1.00 0.00 H new ATOM 691 N GLY A 469 -4.907 10.746 -1.770 1.00 0.00 N ATOM 692 CA GLY A 469 -3.591 11.339 -1.950 1.00 0.00 C ATOM 693 C GLY A 469 -2.597 10.412 -2.645 1.00 0.00 C ATOM 694 O GLY A 469 -1.702 10.908 -3.326 1.00 0.00 O ATOM 0 H GLY A 469 -5.019 10.238 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 469 -3.690 12.255 -2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 469 -3.192 11.622 -0.976 1.00 0.00 H new ATOM 698 N LEU A 470 -2.737 9.087 -2.486 1.00 0.00 N ATOM 699 CA LEU A 470 -1.747 8.131 -2.982 1.00 0.00 C ATOM 700 C LEU A 470 -2.362 7.019 -3.836 1.00 0.00 C ATOM 701 O LEU A 470 -1.684 6.039 -4.147 1.00 0.00 O ATOM 702 CB LEU A 470 -0.953 7.513 -1.825 1.00 0.00 C ATOM 703 CG LEU A 470 -0.229 8.516 -0.924 1.00 0.00 C ATOM 704 CD1 LEU A 470 0.586 7.760 0.117 1.00 0.00 C ATOM 705 CD2 LEU A 470 0.731 9.423 -1.693 1.00 0.00 C ATOM 0 H LEU A 470 -3.532 8.656 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 470 -1.075 8.701 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 470 -1.634 6.924 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 470 -0.217 6.823 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 470 -0.999 9.139 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 470 1.103 8.471 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 470 -0.078 7.141 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 470 1.317 7.126 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 470 1.214 10.112 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 470 1.489 8.815 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 470 0.176 9.990 -2.441 1.00 0.00 H new ATOM 717 N ARG A 471 -3.636 7.152 -4.224 1.00 0.00 N ATOM 718 CA ARG A 471 -4.302 6.140 -5.042 1.00 0.00 C ATOM 719 C ARG A 471 -3.791 6.135 -6.487 1.00 0.00 C ATOM 720 O ARG A 471 -4.345 5.433 -7.334 1.00 0.00 O ATOM 721 CB ARG A 471 -5.821 6.308 -4.966 1.00 0.00 C ATOM 722 CG ARG A 471 -6.260 7.709 -5.390 1.00 0.00 C ATOM 723 CD ARG A 471 -7.786 7.808 -5.424 1.00 0.00 C ATOM 724 NE ARG A 471 -8.387 7.446 -4.134 1.00 0.00 N ATOM 725 CZ ARG A 471 -9.681 7.603 -3.844 1.00 0.00 C ATOM 726 NH1 ARG A 471 -10.517 8.137 -4.731 1.00 0.00 N ATOM 727 NH2 ARG A 471 -10.145 7.228 -2.658 1.00 0.00 N ATOM 0 H ARG A 471 -4.223 7.951 -3.983 1.00 0.00 H new ATOM 0 HA ARG A 471 -4.052 5.161 -4.633 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -6.301 5.568 -5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -6.157 6.115 -3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -5.858 8.447 -4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -5.853 7.941 -6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -8.078 8.824 -5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -8.175 7.152 -6.203 1.00 0.00 H new ATOM 0 HE ARG A 471 -7.779 7.051 -3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -10.172 8.432 -5.644 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -11.503 8.252 -4.498 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -9.513 6.820 -1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -11.133 7.348 -2.436 1.00 0.00 H new ATOM 741 N HIS A 472 -2.743 6.913 -6.775 1.00 0.00 N ATOM 742 CA HIS A 472 -2.117 6.966 -8.089 1.00 0.00 C ATOM 743 C HIS A 472 -0.927 6.006 -8.184 1.00 0.00 C ATOM 744 O HIS A 472 -0.313 5.895 -9.243 1.00 0.00 O ATOM 745 CB HIS A 472 -1.681 8.403 -8.376 1.00 0.00 C ATOM 746 CG HIS A 472 -0.632 8.895 -7.412 1.00 0.00 C ATOM 747 ND1 HIS A 472 -0.864 9.278 -6.090 1.00 0.00 N ATOM 748 CD2 HIS A 472 0.697 9.033 -7.690 1.00 0.00 C ATOM 749 CE1 HIS A 472 0.338 9.628 -5.599 1.00 0.00 C ATOM 750 NE2 HIS A 472 1.291 9.504 -6.542 1.00 0.00 N ATOM 0 H HIS A 472 -2.304 7.529 -6.090 1.00 0.00 H new ATOM 0 HA HIS A 472 -2.843 6.648 -8.838 1.00 0.00 H new ATOM 0 HB2 HIS A 472 -1.292 8.464 -9.392 1.00 0.00 H new ATOM 0 HB3 HIS A 472 -2.550 9.059 -8.327 1.00 0.00 H new ATOM 0 HD2 HIS A 472 1.187 8.815 -8.628 1.00 0.00 H new ATOM 0 HE1 HIS A 472 0.515 9.963 -4.587 1.00 0.00 H new ATOM 0 HE2 HIS A 472 2.281 9.721 -6.426 1.00 0.00 H new ATOM 758 N HIS A 473 -0.594 5.312 -7.089 1.00 0.00 N ATOM 759 CA HIS A 473 0.499 4.351 -7.070 1.00 0.00 C ATOM 760 C HIS A 473 0.092 3.062 -7.782 1.00 0.00 C ATOM 761 O HIS A 473 -1.098 2.797 -7.966 1.00 0.00 O ATOM 762 CB HIS A 473 0.910 4.063 -5.622 1.00 0.00 C ATOM 763 CG HIS A 473 1.461 5.257 -4.882 1.00 0.00 C ATOM 764 ND1 HIS A 473 1.810 5.281 -3.522 1.00 0.00 N ATOM 765 CD2 HIS A 473 1.695 6.488 -5.420 1.00 0.00 C ATOM 766 CE1 HIS A 473 2.217 6.540 -3.282 1.00 0.00 C ATOM 767 NE2 HIS A 473 2.173 7.278 -4.403 1.00 0.00 N ATOM 0 H HIS A 473 -1.078 5.405 -6.196 1.00 0.00 H new ATOM 0 HA HIS A 473 1.352 4.774 -7.600 1.00 0.00 H new ATOM 0 HB2 HIS A 473 0.044 3.683 -5.080 1.00 0.00 H new ATOM 0 HB3 HIS A 473 1.660 3.272 -5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 473 1.536 6.784 -6.446 1.00 0.00 H new ATOM 0 HE1 HIS A 473 2.536 6.908 -2.318 1.00 0.00 H new ATOM 0 HE2 HIS A 473 2.447 8.257 -4.485 1.00 0.00 H new ATOM 775 N SER A 474 1.087 2.264 -8.178 1.00 0.00 N ATOM 776 CA SER A 474 0.868 0.993 -8.853 1.00 0.00 C ATOM 777 C SER A 474 1.674 -0.102 -8.159 1.00 0.00 C ATOM 778 O SER A 474 2.761 0.171 -7.649 1.00 0.00 O ATOM 779 CB SER A 474 1.265 1.109 -10.327 1.00 0.00 C ATOM 780 OG SER A 474 0.483 2.100 -10.963 1.00 0.00 O ATOM 0 H SER A 474 2.072 2.488 -8.036 1.00 0.00 H new ATOM 0 HA SER A 474 -0.189 0.732 -8.803 1.00 0.00 H new ATOM 0 HB2 SER A 474 2.322 1.361 -10.408 1.00 0.00 H new ATOM 0 HB3 SER A 474 1.127 0.150 -10.826 1.00 0.00 H new ATOM 0 HG SER A 474 0.745 2.169 -11.905 1.00 0.00 H new ATOM 786 N PRO A 475 1.157 -1.335 -8.129 1.00 0.00 N ATOM 787 CA PRO A 475 1.781 -2.449 -7.447 1.00 0.00 C ATOM 788 C PRO A 475 3.057 -2.892 -8.153 1.00 0.00 C ATOM 789 O PRO A 475 3.197 -2.744 -9.367 1.00 0.00 O ATOM 790 CB PRO A 475 0.732 -3.558 -7.439 1.00 0.00 C ATOM 791 CG PRO A 475 -0.079 -3.273 -8.699 1.00 0.00 C ATOM 792 CD PRO A 475 -0.090 -1.749 -8.749 1.00 0.00 C ATOM 0 HA PRO A 475 2.087 -2.180 -6.436 1.00 0.00 H new ATOM 0 HB2 PRO A 475 1.190 -4.547 -7.469 1.00 0.00 H new ATOM 0 HB3 PRO A 475 0.112 -3.521 -6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 475 0.385 -3.704 -9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 475 -1.087 -3.684 -8.634 1.00 0.00 H new ATOM 0 HD2 PRO A 475 -0.157 -1.390 -9.776 1.00 0.00 H new ATOM 0 HD3 PRO A 475 -0.949 -1.344 -8.213 1.00 0.00 H new ATOM 800 N LEU A 476 3.989 -3.439 -7.370 1.00 0.00 N ATOM 801 CA LEU A 476 5.268 -3.945 -7.838 1.00 0.00 C ATOM 802 C LEU A 476 5.573 -5.259 -7.126 1.00 0.00 C ATOM 803 O LEU A 476 5.059 -5.507 -6.034 1.00 0.00 O ATOM 804 CB LEU A 476 6.369 -2.921 -7.548 1.00 0.00 C ATOM 805 CG LEU A 476 6.227 -1.648 -8.387 1.00 0.00 C ATOM 806 CD1 LEU A 476 7.199 -0.595 -7.867 1.00 0.00 C ATOM 807 CD2 LEU A 476 6.574 -1.922 -9.848 1.00 0.00 C ATOM 0 H LEU A 476 3.865 -3.542 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 476 5.226 -4.116 -8.914 1.00 0.00 H new ATOM 0 HB2 LEU A 476 6.346 -2.659 -6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 476 7.341 -3.374 -7.743 1.00 0.00 H new ATOM 0 HG LEU A 476 5.196 -1.303 -8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 476 7.102 0.314 -8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 476 6.972 -0.373 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 476 8.219 -0.972 -7.944 1.00 0.00 H new ATOM 0 HD21 LEU A 476 6.466 -1.004 -10.426 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.603 -2.276 -9.917 1.00 0.00 H new ATOM 0 HD23 LEU A 476 5.901 -2.682 -10.245 1.00 0.00 H new ATOM 819 N MET A 477 6.410 -6.102 -7.738 1.00 0.00 N ATOM 820 CA MET A 477 6.786 -7.391 -7.168 1.00 0.00 C ATOM 821 C MET A 477 8.283 -7.671 -7.332 1.00 0.00 C ATOM 822 O MET A 477 8.735 -8.760 -6.991 1.00 0.00 O ATOM 823 CB MET A 477 5.964 -8.505 -7.818 1.00 0.00 C ATOM 824 CG MET A 477 4.466 -8.282 -7.602 1.00 0.00 C ATOM 825 SD MET A 477 3.408 -9.586 -8.289 1.00 0.00 S ATOM 826 CE MET A 477 3.873 -10.955 -7.197 1.00 0.00 C ATOM 0 H MET A 477 6.843 -5.907 -8.641 1.00 0.00 H new ATOM 0 HA MET A 477 6.575 -7.359 -6.099 1.00 0.00 H new ATOM 0 HB2 MET A 477 6.179 -8.544 -8.886 1.00 0.00 H new ATOM 0 HB3 MET A 477 6.256 -9.468 -7.399 1.00 0.00 H new ATOM 0 HG2 MET A 477 4.274 -8.201 -6.532 1.00 0.00 H new ATOM 0 HG3 MET A 477 4.185 -7.329 -8.050 1.00 0.00 H new ATOM 0 HE1 MET A 477 3.133 -11.752 -7.277 1.00 0.00 H new ATOM 0 HE2 MET A 477 4.851 -11.337 -7.489 1.00 0.00 H new ATOM 0 HE3 MET A 477 3.915 -10.601 -6.167 1.00 0.00 H new ATOM 836 N ARG A 478 9.044 -6.696 -7.853 1.00 0.00 N ATOM 837 CA ARG A 478 10.478 -6.824 -8.113 1.00 0.00 C ATOM 838 C ARG A 478 10.812 -8.020 -9.018 1.00 0.00 C ATOM 839 O ARG A 478 11.971 -8.408 -9.143 1.00 0.00 O ATOM 840 CB ARG A 478 11.236 -6.815 -6.778 1.00 0.00 C ATOM 841 CG ARG A 478 12.742 -6.576 -6.943 1.00 0.00 C ATOM 842 CD ARG A 478 13.392 -6.372 -5.575 1.00 0.00 C ATOM 843 NE ARG A 478 13.153 -7.517 -4.687 1.00 0.00 N ATOM 844 CZ ARG A 478 13.854 -8.652 -4.713 1.00 0.00 C ATOM 845 NH1 ARG A 478 14.863 -8.822 -5.565 1.00 0.00 N ATOM 846 NH2 ARG A 478 13.540 -9.633 -3.874 1.00 0.00 N ATOM 0 H ARG A 478 8.669 -5.782 -8.108 1.00 0.00 H new ATOM 0 HA ARG A 478 10.816 -5.963 -8.689 1.00 0.00 H new ATOM 0 HB2 ARG A 478 10.819 -6.039 -6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 478 11.079 -7.767 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 478 13.200 -7.426 -7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 478 12.913 -5.701 -7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 478 14.465 -6.225 -5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 478 12.997 -5.466 -5.115 1.00 0.00 H new ATOM 0 HE ARG A 478 12.400 -7.439 -4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 478 15.113 -8.076 -6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 478 15.386 -9.698 -5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 478 12.769 -9.515 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 478 14.070 -10.504 -3.887 1.00 0.00 H new ATOM 860 N ASN A 479 9.793 -8.608 -9.651 1.00 0.00 N ATOM 861 CA ASN A 479 9.947 -9.753 -10.538 1.00 0.00 C ATOM 862 C ASN A 479 8.959 -9.643 -11.699 1.00 0.00 C ATOM 863 O ASN A 479 7.990 -8.888 -11.626 1.00 0.00 O ATOM 864 CB ASN A 479 9.704 -11.045 -9.756 1.00 0.00 C ATOM 865 CG ASN A 479 10.796 -11.322 -8.734 1.00 0.00 C ATOM 866 OD1 ASN A 479 11.775 -11.998 -9.034 1.00 0.00 O ATOM 867 ND2 ASN A 479 10.641 -10.802 -7.520 1.00 0.00 N ATOM 0 H ASN A 479 8.827 -8.294 -9.557 1.00 0.00 H new ATOM 0 HA ASN A 479 10.960 -9.768 -10.939 1.00 0.00 H new ATOM 0 HB2 ASN A 479 8.742 -10.982 -9.247 1.00 0.00 H new ATOM 0 HB3 ASN A 479 9.642 -11.881 -10.452 1.00 0.00 H new ATOM 0 HD21 ASN A 479 11.349 -10.960 -6.803 1.00 0.00 H new ATOM 0 HD22 ASN A 479 9.814 -10.245 -7.306 1.00 0.00 H new ATOM 874 N GLN A 480 9.209 -10.401 -12.768 1.00 0.00 N ATOM 875 CA GLN A 480 8.365 -10.400 -13.957 1.00 0.00 C ATOM 876 C GLN A 480 8.354 -11.782 -14.608 1.00 0.00 C ATOM 877 O GLN A 480 9.206 -12.619 -14.304 1.00 0.00 O ATOM 878 CB GLN A 480 8.858 -9.332 -14.939 1.00 0.00 C ATOM 879 CG GLN A 480 10.296 -9.606 -15.392 1.00 0.00 C ATOM 880 CD GLN A 480 10.799 -8.548 -16.370 1.00 0.00 C ATOM 881 OE1 GLN A 480 10.078 -7.623 -16.740 1.00 0.00 O ATOM 882 NE2 GLN A 480 12.052 -8.677 -16.802 1.00 0.00 N ATOM 0 H GLN A 480 10.006 -11.034 -12.830 1.00 0.00 H new ATOM 0 HA GLN A 480 7.341 -10.161 -13.669 1.00 0.00 H new ATOM 0 HB2 GLN A 480 8.201 -9.304 -15.808 1.00 0.00 H new ATOM 0 HB3 GLN A 480 8.805 -8.351 -14.468 1.00 0.00 H new ATOM 0 HG2 GLN A 480 10.951 -9.635 -14.521 1.00 0.00 H new ATOM 0 HG3 GLN A 480 10.347 -10.588 -15.862 1.00 0.00 H new ATOM 0 HE21 GLN A 480 12.626 -9.455 -16.477 1.00 0.00 H new ATOM 0 HE22 GLN A 480 12.438 -7.998 -17.458 1.00 0.00 H new ATOM 891 N LYS A 481 7.390 -12.013 -15.503 1.00 0.00 N ATOM 892 CA LYS A 481 7.233 -13.282 -16.209 1.00 0.00 C ATOM 893 C LYS A 481 6.869 -13.037 -17.670 1.00 0.00 C ATOM 894 O LYS A 481 6.499 -11.925 -18.046 1.00 0.00 O ATOM 895 CB LYS A 481 6.149 -14.125 -15.531 1.00 0.00 C ATOM 896 CG LYS A 481 6.547 -14.500 -14.103 1.00 0.00 C ATOM 897 CD LYS A 481 5.478 -15.402 -13.496 1.00 0.00 C ATOM 898 CE LYS A 481 5.882 -15.792 -12.077 1.00 0.00 C ATOM 899 NZ LYS A 481 4.872 -16.668 -11.457 1.00 0.00 N ATOM 0 H LYS A 481 6.691 -11.316 -15.759 1.00 0.00 H new ATOM 0 HA LYS A 481 8.179 -13.822 -16.173 1.00 0.00 H new ATOM 0 HB2 LYS A 481 5.211 -13.570 -15.515 1.00 0.00 H new ATOM 0 HB3 LYS A 481 5.974 -15.031 -16.111 1.00 0.00 H new ATOM 0 HG2 LYS A 481 7.510 -15.010 -14.105 1.00 0.00 H new ATOM 0 HG3 LYS A 481 6.664 -13.600 -13.499 1.00 0.00 H new ATOM 0 HD2 LYS A 481 4.518 -14.887 -13.483 1.00 0.00 H new ATOM 0 HD3 LYS A 481 5.352 -16.295 -14.107 1.00 0.00 H new ATOM 0 HE2 LYS A 481 6.846 -16.301 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 481 6.009 -14.894 -11.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 5.240 -17.040 -10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 4.004 -16.124 -11.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 4.659 -17.459 -12.097 1.00 0.00 H new ATOM 913 N ASN A 482 6.974 -14.081 -18.496 1.00 0.00 N ATOM 914 CA ASN A 482 6.644 -14.021 -19.912 1.00 0.00 C ATOM 915 C ASN A 482 6.033 -15.349 -20.367 1.00 0.00 C ATOM 916 O ASN A 482 5.777 -16.237 -19.553 1.00 0.00 O ATOM 917 CB ASN A 482 7.902 -13.651 -20.705 1.00 0.00 C ATOM 918 CG ASN A 482 9.019 -14.683 -20.604 1.00 0.00 C ATOM 919 OD1 ASN A 482 8.844 -15.760 -20.044 1.00 0.00 O ATOM 920 ND2 ASN A 482 10.183 -14.354 -21.153 1.00 0.00 N ATOM 0 H ASN A 482 7.295 -15.000 -18.191 1.00 0.00 H new ATOM 0 HA ASN A 482 5.895 -13.251 -20.095 1.00 0.00 H new ATOM 0 HB2 ASN A 482 7.634 -13.521 -21.754 1.00 0.00 H new ATOM 0 HB3 ASN A 482 8.275 -12.690 -20.350 1.00 0.00 H new ATOM 0 HD21 ASN A 482 10.966 -15.006 -21.117 1.00 0.00 H new ATOM 0 HD22 ASN A 482 10.293 -13.449 -21.611 1.00 0.00 H new ATOM 927 N ARG A 483 5.798 -15.495 -21.675 1.00 0.00 N ATOM 928 CA ARG A 483 5.181 -16.690 -22.244 1.00 0.00 C ATOM 929 C ARG A 483 6.100 -17.911 -22.141 1.00 0.00 C ATOM 930 O ARG A 483 5.686 -19.023 -22.455 1.00 0.00 O ATOM 931 CB ARG A 483 4.792 -16.379 -23.697 1.00 0.00 C ATOM 932 CG ARG A 483 4.090 -17.535 -24.417 1.00 0.00 C ATOM 933 CD ARG A 483 2.896 -18.059 -23.620 1.00 0.00 C ATOM 934 NE ARG A 483 2.225 -19.158 -24.324 1.00 0.00 N ATOM 935 CZ ARG A 483 2.654 -20.424 -24.334 1.00 0.00 C ATOM 936 NH1 ARG A 483 3.761 -20.779 -23.688 1.00 0.00 N ATOM 937 NH2 ARG A 483 1.969 -21.352 -25.000 1.00 0.00 N ATOM 0 H ARG A 483 6.032 -14.784 -22.368 1.00 0.00 H new ATOM 0 HA ARG A 483 4.288 -16.950 -21.676 1.00 0.00 H new ATOM 0 HB2 ARG A 483 4.138 -15.507 -23.708 1.00 0.00 H new ATOM 0 HB3 ARG A 483 5.690 -16.111 -24.253 1.00 0.00 H new ATOM 0 HG2 ARG A 483 3.753 -17.201 -25.398 1.00 0.00 H new ATOM 0 HG3 ARG A 483 4.800 -18.345 -24.582 1.00 0.00 H new ATOM 0 HD2 ARG A 483 3.232 -18.403 -22.642 1.00 0.00 H new ATOM 0 HD3 ARG A 483 2.188 -17.249 -23.447 1.00 0.00 H new ATOM 0 HE ARG A 483 1.373 -18.941 -24.841 1.00 0.00 H new ATOM 0 HH11 ARG A 483 4.298 -20.080 -23.174 1.00 0.00 H new ATOM 0 HH12 ARG A 483 4.073 -21.750 -23.707 1.00 0.00 H new ATOM 0 HH21 ARG A 483 1.118 -21.096 -25.501 1.00 0.00 H new ATOM 0 HH22 ARG A 483 2.295 -22.318 -25.009 1.00 0.00 H new ATOM 951 N ASP A 484 7.347 -17.717 -21.701 1.00 0.00 N ATOM 952 CA ASP A 484 8.327 -18.787 -21.595 1.00 0.00 C ATOM 953 C ASP A 484 8.563 -19.206 -20.143 1.00 0.00 C ATOM 954 O ASP A 484 9.460 -20.006 -19.873 1.00 0.00 O ATOM 955 CB ASP A 484 9.631 -18.361 -22.273 1.00 0.00 C ATOM 956 CG ASP A 484 9.417 -18.031 -23.746 1.00 0.00 C ATOM 957 OD1 ASP A 484 9.206 -18.987 -24.524 1.00 0.00 O ATOM 958 OD2 ASP A 484 9.469 -16.828 -24.087 1.00 0.00 O ATOM 0 H ASP A 484 7.701 -16.806 -21.408 1.00 0.00 H new ATOM 0 HA ASP A 484 7.933 -19.664 -22.109 1.00 0.00 H new ATOM 0 HB2 ASP A 484 10.041 -17.491 -21.760 1.00 0.00 H new ATOM 0 HB3 ASP A 484 10.367 -19.160 -22.182 1.00 0.00 H new ATOM 963 N SER A 485 7.774 -18.675 -19.202 1.00 0.00 N ATOM 964 CA SER A 485 7.896 -19.011 -17.789 1.00 0.00 C ATOM 965 C SER A 485 6.523 -19.115 -17.124 1.00 0.00 C ATOM 966 O SER A 485 5.515 -18.707 -17.698 1.00 0.00 O ATOM 967 CB SER A 485 8.770 -17.973 -17.076 1.00 0.00 C ATOM 968 OG SER A 485 8.143 -16.706 -17.069 1.00 0.00 O ATOM 0 H SER A 485 7.035 -18.001 -19.404 1.00 0.00 H new ATOM 0 HA SER A 485 8.374 -19.987 -17.708 1.00 0.00 H new ATOM 0 HB2 SER A 485 8.961 -18.294 -16.052 1.00 0.00 H new ATOM 0 HB3 SER A 485 9.737 -17.902 -17.574 1.00 0.00 H new ATOM 0 HG SER A 485 8.717 -16.059 -16.608 1.00 0.00 H new ATOM 974 N SER A 486 6.494 -19.672 -15.911 1.00 0.00 N ATOM 975 CA SER A 486 5.270 -19.878 -15.148 1.00 0.00 C ATOM 976 C SER A 486 5.495 -19.535 -13.681 1.00 0.00 C ATOM 977 O SER A 486 6.557 -19.928 -13.151 1.00 0.00 O ATOM 978 CB SER A 486 4.811 -21.331 -15.281 1.00 0.00 C ATOM 979 OG SER A 486 4.570 -21.638 -16.642 1.00 0.00 O ATOM 980 OXT SER A 486 4.600 -18.879 -13.101 1.00 0.00 O ATOM 0 H SER A 486 7.333 -19.995 -15.429 1.00 0.00 H new ATOM 0 HA SER A 486 4.496 -19.221 -15.545 1.00 0.00 H new ATOM 0 HB2 SER A 486 5.571 -22.000 -14.877 1.00 0.00 H new ATOM 0 HB3 SER A 486 3.904 -21.490 -14.697 1.00 0.00 H new ATOM 0 HG SER A 486 4.278 -22.570 -16.720 1.00 0.00 H new TER 986 SER A 486 HETATM 987 ZN ZN A 501 0.408 -5.432 5.479 1.00 0.00 ZN HETATM 988 ZN ZN A 502 2.684 3.943 -2.351 1.00 0.00 ZN