USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 402 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 Set 1.1: A 33 GLN : amide:sc= 0.64 K(o=1.4,f=-1.3) USER MOD Set 1.2: A 50 TYR OH : rot -80:sc= 0.738 USER MOD Single : A 3 SER OG : rot 22:sc= 0.697 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -99:sc= 1.79 USER MOD Single : A 10 SER OG : rot -30:sc= 1.56 USER MOD Single : A 11 LYS NZ :NH3+ -142:sc= -0.354 (180deg=-0.911) USER MOD Single : A 12 THR OG1 : rot -18:sc= 0.601 USER MOD Single : A 13 TYR OH : rot 30:sc= -0.784 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.2) USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= -0.263 (180deg=-0.485) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -117:sc= 0.0105 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 136:sc= 1.56 (180deg=0.323) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= -0.0478 (180deg=-0.31) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 3 7.315 1.463 3.090 1.00 0.00 N ATOM 19 CA SER A 3 8.670 1.982 2.940 1.00 0.00 C ATOM 20 C SER A 3 9.532 1.604 4.140 1.00 0.00 C ATOM 21 O SER A 3 9.165 1.856 5.288 1.00 0.00 O ATOM 22 CB SER A 3 8.640 3.503 2.777 1.00 0.00 C ATOM 23 OG SER A 3 7.391 3.937 2.268 1.00 0.00 O ATOM 0 HA SER A 3 9.107 1.536 2.046 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.829 3.979 3.739 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.439 3.816 2.104 1.00 0.00 H new ATOM 0 HG SER A 3 6.708 3.261 2.458 1.00 0.00 H new ATOM 29 N LYS A 4 10.683 0.998 3.867 1.00 0.00 N ATOM 30 CA LYS A 4 11.601 0.586 4.922 1.00 0.00 C ATOM 31 C LYS A 4 12.866 -0.029 4.332 1.00 0.00 C ATOM 32 O LYS A 4 12.916 -0.355 3.145 1.00 0.00 O ATOM 33 CB LYS A 4 10.920 -0.419 5.854 1.00 0.00 C ATOM 34 CG LYS A 4 10.230 -1.557 5.123 1.00 0.00 C ATOM 35 CD LYS A 4 10.828 -2.903 5.496 1.00 0.00 C ATOM 36 CE LYS A 4 9.953 -3.644 6.496 1.00 0.00 C ATOM 37 NZ LYS A 4 9.996 -3.013 7.844 1.00 0.00 N ATOM 0 H LYS A 4 11.002 0.781 2.923 1.00 0.00 H new ATOM 0 HA LYS A 4 11.880 1.471 5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.665 -0.834 6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.187 0.106 6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.166 -1.552 5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.316 -1.405 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.950 -3.509 4.598 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.822 -2.756 5.919 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.924 -3.661 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.283 -4.680 6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.387 -3.547 8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.973 -3.019 8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.657 -2.032 7.779 1.00 0.00 H new ATOM 51 N LEU A 5 13.887 -0.186 5.168 1.00 0.00 N ATOM 52 CA LEU A 5 15.153 -0.763 4.730 1.00 0.00 C ATOM 53 C LEU A 5 15.154 -2.277 4.917 1.00 0.00 C ATOM 54 O LEU A 5 14.472 -2.806 5.795 1.00 0.00 O ATOM 55 CB LEU A 5 16.315 -0.141 5.504 1.00 0.00 C ATOM 56 CG LEU A 5 16.836 1.195 4.974 1.00 0.00 C ATOM 57 CD1 LEU A 5 16.250 2.351 5.770 1.00 0.00 C ATOM 58 CD2 LEU A 5 18.357 1.231 5.020 1.00 0.00 C ATOM 0 H LEU A 5 13.863 0.078 6.153 1.00 0.00 H new ATOM 0 HA LEU A 5 15.275 -0.546 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 5 16.003 -0.001 6.539 1.00 0.00 H new ATOM 0 HB3 LEU A 5 17.141 -0.852 5.514 1.00 0.00 H new ATOM 0 HG LEU A 5 16.521 1.299 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.632 3.293 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.163 2.337 5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.534 2.252 6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.710 2.189 4.639 1.00 0.00 H new ATOM 0 HD22 LEU A 5 18.693 1.104 6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 5 18.759 0.426 4.405 1.00 0.00 H new ATOM 70 N CYS A 6 15.928 -2.970 4.088 1.00 0.00 N ATOM 71 CA CYS A 6 16.021 -4.423 4.163 1.00 0.00 C ATOM 72 C CYS A 6 17.455 -4.863 4.442 1.00 0.00 C ATOM 73 O CYS A 6 18.408 -4.231 3.985 1.00 0.00 O ATOM 74 CB CYS A 6 15.527 -5.054 2.859 1.00 0.00 C ATOM 75 SG CYS A 6 13.713 -5.141 2.716 1.00 0.00 S ATOM 0 H CYS A 6 16.500 -2.548 3.356 1.00 0.00 H new ATOM 0 HA CYS A 6 15.390 -4.761 4.985 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.920 -4.481 2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.936 -6.061 2.777 1.00 0.00 H new ATOM 80 N GLU A 7 17.599 -5.949 5.195 1.00 0.00 N ATOM 81 CA GLU A 7 18.917 -6.472 5.535 1.00 0.00 C ATOM 82 C GLU A 7 18.983 -7.978 5.297 1.00 0.00 C ATOM 83 O GLU A 7 18.052 -8.712 5.631 1.00 0.00 O ATOM 84 CB GLU A 7 19.253 -6.160 6.995 1.00 0.00 C ATOM 85 CG GLU A 7 18.369 -6.889 7.992 1.00 0.00 C ATOM 86 CD GLU A 7 18.700 -6.539 9.430 1.00 0.00 C ATOM 87 OE1 GLU A 7 19.791 -5.981 9.669 1.00 0.00 O ATOM 88 OE2 GLU A 7 17.867 -6.824 10.316 1.00 0.00 O ATOM 0 H GLU A 7 16.820 -6.483 5.581 1.00 0.00 H new ATOM 0 HA GLU A 7 19.649 -5.987 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.294 -6.424 7.184 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.162 -5.086 7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.326 -6.644 7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.477 -7.964 7.850 1.00 0.00 H new ATOM 95 N LYS A 8 20.089 -8.432 4.718 1.00 0.00 N ATOM 96 CA LYS A 8 20.279 -9.850 4.435 1.00 0.00 C ATOM 97 C LYS A 8 21.611 -10.342 4.991 1.00 0.00 C ATOM 98 O LYS A 8 22.605 -9.614 4.987 1.00 0.00 O ATOM 99 CB LYS A 8 20.219 -10.103 2.927 1.00 0.00 C ATOM 100 CG LYS A 8 18.936 -10.778 2.474 1.00 0.00 C ATOM 101 CD LYS A 8 18.030 -9.812 1.730 1.00 0.00 C ATOM 102 CE LYS A 8 16.717 -10.471 1.335 1.00 0.00 C ATOM 103 NZ LYS A 8 15.686 -10.336 2.402 1.00 0.00 N ATOM 0 H LYS A 8 20.868 -7.838 4.435 1.00 0.00 H new ATOM 0 HA LYS A 8 19.476 -10.403 4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.324 -9.153 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.068 -10.723 2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.177 -11.623 1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.409 -11.178 3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.828 -8.944 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.539 -9.448 0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.347 -10.021 0.414 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.889 -11.527 1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.806 -10.798 2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.028 -10.788 3.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.503 -9.328 2.583 1.00 0.00 H new ATOM 117 N THR A 9 21.626 -11.583 5.469 1.00 0.00 N ATOM 118 CA THR A 9 22.836 -12.172 6.027 1.00 0.00 C ATOM 119 C THR A 9 23.428 -13.212 5.083 1.00 0.00 C ATOM 120 O THR A 9 23.549 -14.386 5.433 1.00 0.00 O ATOM 121 CB THR A 9 22.561 -12.832 7.392 1.00 0.00 C ATOM 122 OG1 THR A 9 21.499 -12.145 8.063 1.00 0.00 O ATOM 123 CG2 THR A 9 23.810 -12.818 8.261 1.00 0.00 C ATOM 0 H THR A 9 20.813 -12.199 5.480 1.00 0.00 H new ATOM 0 HA THR A 9 23.550 -11.359 6.161 1.00 0.00 H new ATOM 0 HB THR A 9 22.270 -13.868 7.218 1.00 0.00 H new ATOM 0 HG1 THR A 9 21.875 -11.525 8.722 1.00 0.00 H new ATOM 0 HG21 THR A 9 23.592 -13.289 9.219 1.00 0.00 H new ATOM 0 HG22 THR A 9 24.608 -13.367 7.760 1.00 0.00 H new ATOM 0 HG23 THR A 9 24.126 -11.788 8.427 1.00 0.00 H new ATOM 131 N SER A 10 23.797 -12.773 3.883 1.00 0.00 N ATOM 132 CA SER A 10 24.374 -13.668 2.887 1.00 0.00 C ATOM 133 C SER A 10 23.371 -14.742 2.475 1.00 0.00 C ATOM 134 O SER A 10 22.902 -15.521 3.305 1.00 0.00 O ATOM 135 CB SER A 10 25.644 -14.323 3.433 1.00 0.00 C ATOM 136 OG SER A 10 25.345 -15.533 4.107 1.00 0.00 O ATOM 0 H SER A 10 23.707 -11.804 3.578 1.00 0.00 H new ATOM 0 HA SER A 10 24.628 -13.076 2.008 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.336 -14.521 2.614 1.00 0.00 H new ATOM 0 HB3 SER A 10 26.146 -13.637 4.116 1.00 0.00 H new ATOM 0 HG SER A 10 24.446 -15.479 4.494 1.00 0.00 H new ATOM 142 N LYS A 11 23.047 -14.777 1.187 1.00 0.00 N ATOM 143 CA LYS A 11 22.101 -15.754 0.662 1.00 0.00 C ATOM 144 C LYS A 11 22.429 -16.105 -0.786 1.00 0.00 C ATOM 145 O LYS A 11 21.614 -16.702 -1.491 1.00 0.00 O ATOM 146 CB LYS A 11 20.672 -15.214 0.756 1.00 0.00 C ATOM 147 CG LYS A 11 20.563 -13.728 0.462 1.00 0.00 C ATOM 148 CD LYS A 11 21.031 -13.403 -0.947 1.00 0.00 C ATOM 149 CE LYS A 11 20.800 -11.938 -1.287 1.00 0.00 C ATOM 150 NZ LYS A 11 19.374 -11.547 -1.113 1.00 0.00 N ATOM 0 H LYS A 11 23.426 -14.139 0.487 1.00 0.00 H new ATOM 0 HA LYS A 11 22.181 -16.659 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.039 -15.761 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 11 20.285 -15.407 1.756 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.529 -13.406 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 11 21.160 -13.169 1.183 1.00 0.00 H new ATOM 0 HD2 LYS A 11 22.091 -13.637 -1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.500 -14.032 -1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.428 -11.314 -0.651 1.00 0.00 H new ATOM 0 HE3 LYS A 11 21.105 -11.752 -2.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.100 -10.887 -1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 18.773 -12.395 -1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 19.251 -11.086 -0.189 1.00 0.00 H new ATOM 164 N THR A 12 23.627 -15.733 -1.224 1.00 0.00 N ATOM 165 CA THR A 12 24.063 -16.008 -2.587 1.00 0.00 C ATOM 166 C THR A 12 25.575 -15.875 -2.719 1.00 0.00 C ATOM 167 O THR A 12 26.200 -16.556 -3.532 1.00 0.00 O ATOM 168 CB THR A 12 23.385 -15.061 -3.595 1.00 0.00 C ATOM 169 OG1 THR A 12 21.962 -15.164 -3.484 1.00 0.00 O ATOM 170 CG2 THR A 12 23.813 -15.389 -5.018 1.00 0.00 C ATOM 0 H THR A 12 24.314 -15.240 -0.654 1.00 0.00 H new ATOM 0 HA THR A 12 23.772 -17.034 -2.811 1.00 0.00 H new ATOM 0 HB THR A 12 23.694 -14.041 -3.365 1.00 0.00 H new ATOM 0 HG1 THR A 12 21.729 -15.997 -3.023 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.321 -14.707 -5.712 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.894 -15.280 -5.107 1.00 0.00 H new ATOM 0 HG23 THR A 12 23.531 -16.415 -5.256 1.00 0.00 H new ATOM 178 N TYR A 13 26.159 -14.994 -1.914 1.00 0.00 N ATOM 179 CA TYR A 13 27.600 -14.770 -1.942 1.00 0.00 C ATOM 180 C TYR A 13 28.357 -16.095 -1.951 1.00 0.00 C ATOM 181 O TYR A 13 28.866 -16.524 -2.986 1.00 0.00 O ATOM 182 CB TYR A 13 28.030 -13.932 -0.737 1.00 0.00 C ATOM 183 CG TYR A 13 29.519 -13.671 -0.682 1.00 0.00 C ATOM 184 CD1 TYR A 13 30.074 -12.569 -1.321 1.00 0.00 C ATOM 185 CD2 TYR A 13 30.369 -14.526 0.008 1.00 0.00 C ATOM 186 CE1 TYR A 13 31.433 -12.327 -1.274 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.729 -14.290 0.061 1.00 0.00 C ATOM 188 CZ TYR A 13 32.257 -13.190 -0.582 1.00 0.00 C ATOM 189 OH TYR A 13 33.611 -12.952 -0.532 1.00 0.00 O ATOM 0 H TYR A 13 25.657 -14.423 -1.234 1.00 0.00 H new ATOM 0 HA TYR A 13 27.841 -14.229 -2.857 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.503 -12.978 -0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.725 -14.441 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 13 29.432 -11.891 -1.863 1.00 0.00 H new ATOM 0 HD2 TYR A 13 29.960 -15.389 0.511 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.849 -11.466 -1.777 1.00 0.00 H new ATOM 0 HE2 TYR A 13 32.376 -14.964 0.603 1.00 0.00 H new ATOM 0 HH TYR A 13 33.776 -11.987 -0.584 1.00 0.00 H new ATOM 199 N SER A 14 28.425 -16.738 -0.790 1.00 0.00 N ATOM 200 CA SER A 14 29.122 -18.012 -0.662 1.00 0.00 C ATOM 201 C SER A 14 30.573 -17.886 -1.117 1.00 0.00 C ATOM 202 O SER A 14 30.873 -17.986 -2.306 1.00 0.00 O ATOM 203 CB SER A 14 28.411 -19.091 -1.480 1.00 0.00 C ATOM 204 OG SER A 14 27.828 -20.070 -0.637 1.00 0.00 O ATOM 0 H SER A 14 28.006 -16.398 0.075 1.00 0.00 H new ATOM 0 HA SER A 14 29.113 -18.299 0.390 1.00 0.00 H new ATOM 0 HB2 SER A 14 27.639 -18.633 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 14 29.121 -19.566 -2.157 1.00 0.00 H new ATOM 0 HG SER A 14 27.378 -20.747 -1.184 1.00 0.00 H new ATOM 210 N GLY A 15 31.470 -17.666 -0.161 1.00 0.00 N ATOM 211 CA GLY A 15 32.879 -17.530 -0.482 1.00 0.00 C ATOM 212 C GLY A 15 33.733 -17.293 0.747 1.00 0.00 C ATOM 213 O GLY A 15 33.258 -17.413 1.876 1.00 0.00 O ATOM 0 H GLY A 15 31.246 -17.579 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 15 33.221 -18.431 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 15 33.012 -16.702 -1.178 1.00 0.00 H new ATOM 217 N LYS A 16 35.000 -16.957 0.529 1.00 0.00 N ATOM 218 CA LYS A 16 35.925 -16.702 1.627 1.00 0.00 C ATOM 219 C LYS A 16 35.586 -15.392 2.331 1.00 0.00 C ATOM 220 O LYS A 16 36.139 -15.082 3.387 1.00 0.00 O ATOM 221 CB LYS A 16 37.364 -16.658 1.109 1.00 0.00 C ATOM 222 CG LYS A 16 37.666 -15.439 0.255 1.00 0.00 C ATOM 223 CD LYS A 16 38.357 -15.824 -1.043 1.00 0.00 C ATOM 224 CE LYS A 16 39.808 -16.214 -0.807 1.00 0.00 C ATOM 225 NZ LYS A 16 40.306 -17.153 -1.850 1.00 0.00 N ATOM 0 H LYS A 16 35.410 -16.855 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 16 35.829 -17.516 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 16 38.047 -16.675 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 16 37.559 -17.558 0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 16 36.739 -14.911 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 16 38.298 -14.750 0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 16 37.826 -16.656 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 16 38.313 -14.989 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 16 40.428 -15.318 -0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 16 39.905 -16.677 0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 41.298 -17.395 -1.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.730 -18.019 -1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 40.238 -16.702 -2.785 1.00 0.00 H new ATOM 239 N CYS A 17 34.673 -14.628 1.742 1.00 0.00 N ATOM 240 CA CYS A 17 34.259 -13.352 2.313 1.00 0.00 C ATOM 241 C CYS A 17 35.392 -12.332 2.243 1.00 0.00 C ATOM 242 O CYS A 17 36.569 -12.694 2.243 1.00 0.00 O ATOM 243 CB CYS A 17 33.816 -13.539 3.765 1.00 0.00 C ATOM 244 SG CYS A 17 32.755 -12.200 4.397 1.00 0.00 S ATOM 0 H CYS A 17 34.205 -14.870 0.869 1.00 0.00 H new ATOM 0 HA CYS A 17 33.419 -12.977 1.729 1.00 0.00 H new ATOM 0 HB2 CYS A 17 33.280 -14.484 3.851 1.00 0.00 H new ATOM 0 HB3 CYS A 17 34.701 -13.616 4.397 1.00 0.00 H new ATOM 249 N ASP A 18 35.028 -11.055 2.183 1.00 0.00 N ATOM 250 CA ASP A 18 36.013 -9.982 2.114 1.00 0.00 C ATOM 251 C ASP A 18 35.351 -8.623 2.319 1.00 0.00 C ATOM 252 O ASP A 18 34.234 -8.536 2.827 1.00 0.00 O ATOM 253 CB ASP A 18 36.738 -10.012 0.767 1.00 0.00 C ATOM 254 CG ASP A 18 38.229 -9.780 0.908 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.629 -9.022 1.816 1.00 0.00 O ATOM 256 OD2 ASP A 18 38.997 -10.358 0.110 1.00 0.00 O ATOM 0 H ASP A 18 34.058 -10.738 2.181 1.00 0.00 H new ATOM 0 HA ASP A 18 36.739 -10.137 2.912 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.567 -10.975 0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.315 -9.250 0.113 1.00 0.00 H new ATOM 261 N ASN A 19 36.048 -7.564 1.920 1.00 0.00 N ATOM 262 CA ASN A 19 35.529 -6.209 2.062 1.00 0.00 C ATOM 263 C ASN A 19 34.842 -5.753 0.778 1.00 0.00 C ATOM 264 O ASN A 19 33.615 -5.676 0.711 1.00 0.00 O ATOM 265 CB ASN A 19 36.659 -5.242 2.420 1.00 0.00 C ATOM 266 CG ASN A 19 36.280 -3.794 2.177 1.00 0.00 C ATOM 267 OD1 ASN A 19 36.836 -3.134 1.300 1.00 0.00 O ATOM 268 ND2 ASN A 19 35.328 -3.293 2.956 1.00 0.00 N ATOM 0 H ASN A 19 36.974 -7.618 1.496 1.00 0.00 H new ATOM 0 HA ASN A 19 34.793 -6.211 2.866 1.00 0.00 H new ATOM 0 HB2 ASN A 19 36.927 -5.373 3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 19 37.543 -5.487 1.831 1.00 0.00 H new ATOM 0 HD21 ASN A 19 35.031 -2.324 2.839 1.00 0.00 H new ATOM 0 HD22 ASN A 19 34.894 -3.877 3.671 1.00 0.00 H new ATOM 275 N LYS A 20 35.641 -5.452 -0.240 1.00 0.00 N ATOM 276 CA LYS A 20 35.112 -5.005 -1.523 1.00 0.00 C ATOM 277 C LYS A 20 34.360 -6.133 -2.223 1.00 0.00 C ATOM 278 O LYS A 20 33.313 -5.911 -2.831 1.00 0.00 O ATOM 279 CB LYS A 20 36.246 -4.501 -2.418 1.00 0.00 C ATOM 280 CG LYS A 20 35.893 -4.481 -3.895 1.00 0.00 C ATOM 281 CD LYS A 20 37.130 -4.324 -4.762 1.00 0.00 C ATOM 282 CE LYS A 20 37.343 -2.874 -5.171 1.00 0.00 C ATOM 283 NZ LYS A 20 37.316 -1.957 -3.998 1.00 0.00 N ATOM 0 H LYS A 20 36.659 -5.510 -0.201 1.00 0.00 H new ATOM 0 HA LYS A 20 34.415 -4.188 -1.336 1.00 0.00 H new ATOM 0 HB2 LYS A 20 36.524 -3.494 -2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 20 37.122 -5.133 -2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 20 35.377 -5.404 -4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 20 35.202 -3.662 -4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 20 38.004 -4.682 -4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 20 37.032 -4.944 -5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 20 38.300 -2.778 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 20 36.569 -2.579 -5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 37.647 -1.014 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 36.344 -1.887 -3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 37.938 -2.329 -3.252 1.00 0.00 H new ATOM 297 N LYS A 21 34.901 -7.343 -2.134 1.00 0.00 N ATOM 298 CA LYS A 21 34.280 -8.507 -2.756 1.00 0.00 C ATOM 299 C LYS A 21 32.852 -8.695 -2.255 1.00 0.00 C ATOM 300 O LYS A 21 31.943 -8.982 -3.034 1.00 0.00 O ATOM 301 CB LYS A 21 35.103 -9.764 -2.469 1.00 0.00 C ATOM 302 CG LYS A 21 36.471 -9.761 -3.129 1.00 0.00 C ATOM 303 CD LYS A 21 36.364 -9.573 -4.633 1.00 0.00 C ATOM 304 CE LYS A 21 36.567 -8.119 -5.029 1.00 0.00 C ATOM 305 NZ LYS A 21 37.734 -7.950 -5.938 1.00 0.00 N ATOM 0 H LYS A 21 35.769 -7.544 -1.637 1.00 0.00 H new ATOM 0 HA LYS A 21 34.249 -8.339 -3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 21 35.229 -9.867 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.547 -10.637 -2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 21 37.079 -8.963 -2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.982 -10.700 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 21 37.108 -10.194 -5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 21 35.385 -9.911 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 21 35.668 -7.747 -5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 21 36.714 -7.516 -4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 37.839 -6.945 -6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 38.597 -8.281 -5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 37.583 -8.505 -6.804 1.00 0.00 H new ATOM 319 N CYS A 22 32.661 -8.532 -0.950 1.00 0.00 N ATOM 320 CA CYS A 22 31.344 -8.682 -0.345 1.00 0.00 C ATOM 321 C CYS A 22 30.405 -7.570 -0.802 1.00 0.00 C ATOM 322 O CYS A 22 29.275 -7.829 -1.218 1.00 0.00 O ATOM 323 CB CYS A 22 31.457 -8.674 1.181 1.00 0.00 C ATOM 324 SG CYS A 22 30.872 -10.205 1.978 1.00 0.00 S ATOM 0 H CYS A 22 33.403 -8.296 -0.291 1.00 0.00 H new ATOM 0 HA CYS A 22 30.931 -9.638 -0.667 1.00 0.00 H new ATOM 0 HB2 CYS A 22 32.499 -8.509 1.457 1.00 0.00 H new ATOM 0 HB3 CYS A 22 30.886 -7.832 1.573 1.00 0.00 H new ATOM 329 N ASP A 23 30.880 -6.332 -0.723 1.00 0.00 N ATOM 330 CA ASP A 23 30.084 -5.180 -1.129 1.00 0.00 C ATOM 331 C ASP A 23 29.675 -5.292 -2.595 1.00 0.00 C ATOM 332 O ASP A 23 28.493 -5.211 -2.929 1.00 0.00 O ATOM 333 CB ASP A 23 30.867 -3.886 -0.903 1.00 0.00 C ATOM 334 CG ASP A 23 29.973 -2.662 -0.891 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.748 -2.825 -0.714 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.498 -1.542 -1.059 1.00 0.00 O ATOM 0 H ASP A 23 31.813 -6.101 -0.381 1.00 0.00 H new ATOM 0 HA ASP A 23 29.181 -5.160 -0.518 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.403 -3.950 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.617 -3.777 -1.687 1.00 0.00 H new ATOM 341 N LYS A 24 30.660 -5.479 -3.466 1.00 0.00 N ATOM 342 CA LYS A 24 30.405 -5.602 -4.896 1.00 0.00 C ATOM 343 C LYS A 24 29.481 -6.781 -5.184 1.00 0.00 C ATOM 344 O LYS A 24 28.483 -6.643 -5.893 1.00 0.00 O ATOM 345 CB LYS A 24 31.721 -5.775 -5.657 1.00 0.00 C ATOM 346 CG LYS A 24 31.535 -6.129 -7.123 1.00 0.00 C ATOM 347 CD LYS A 24 32.867 -6.226 -7.847 1.00 0.00 C ATOM 348 CE LYS A 24 32.676 -6.492 -9.332 1.00 0.00 C ATOM 349 NZ LYS A 24 32.685 -7.949 -9.640 1.00 0.00 N ATOM 0 H LYS A 24 31.644 -5.549 -3.206 1.00 0.00 H new ATOM 0 HA LYS A 24 29.915 -4.688 -5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.296 -4.852 -5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.309 -6.556 -5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 24 31.006 -7.078 -7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.913 -5.375 -7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.425 -5.299 -7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.464 -7.025 -7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.732 -6.057 -9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.468 -5.997 -9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.491 -8.168 -10.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.771 -8.490 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 31.799 -8.208 -10.120 1.00 0.00 H new ATOM 363 N LYS A 25 29.818 -7.940 -4.629 1.00 0.00 N ATOM 364 CA LYS A 25 29.017 -9.144 -4.823 1.00 0.00 C ATOM 365 C LYS A 25 27.606 -8.952 -4.278 1.00 0.00 C ATOM 366 O LYS A 25 26.655 -9.569 -4.759 1.00 0.00 O ATOM 367 CB LYS A 25 29.682 -10.339 -4.137 1.00 0.00 C ATOM 368 CG LYS A 25 29.126 -11.681 -4.580 1.00 0.00 C ATOM 369 CD LYS A 25 30.130 -12.450 -5.422 1.00 0.00 C ATOM 370 CE LYS A 25 31.254 -13.018 -4.568 1.00 0.00 C ATOM 371 NZ LYS A 25 30.823 -14.232 -3.821 1.00 0.00 N ATOM 0 H LYS A 25 30.641 -8.072 -4.041 1.00 0.00 H new ATOM 0 HA LYS A 25 28.951 -9.338 -5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 25 30.753 -10.314 -4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 25 29.559 -10.243 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 25 28.857 -12.271 -3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 25 28.212 -11.526 -5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 25 29.623 -13.261 -5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 25 30.547 -11.792 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 25 32.104 -13.265 -5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 25 31.594 -12.259 -3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 31.564 -14.959 -3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 30.662 -13.987 -2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 29.942 -14.599 -4.234 1.00 0.00 H new ATOM 385 N CYS A 26 27.476 -8.092 -3.274 1.00 0.00 N ATOM 386 CA CYS A 26 26.180 -7.817 -2.664 1.00 0.00 C ATOM 387 C CYS A 26 25.267 -7.076 -3.637 1.00 0.00 C ATOM 388 O CYS A 26 24.120 -7.469 -3.850 1.00 0.00 O ATOM 389 CB CYS A 26 26.358 -6.995 -1.387 1.00 0.00 C ATOM 390 SG CYS A 26 26.541 -7.997 0.124 1.00 0.00 S ATOM 0 H CYS A 26 28.253 -7.573 -2.865 1.00 0.00 H new ATOM 0 HA CYS A 26 25.715 -8.770 -2.412 1.00 0.00 H new ATOM 0 HB2 CYS A 26 27.236 -6.359 -1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.499 -6.335 -1.270 1.00 0.00 H new ATOM 395 N ILE A 27 25.785 -6.001 -4.223 1.00 0.00 N ATOM 396 CA ILE A 27 25.018 -5.206 -5.173 1.00 0.00 C ATOM 397 C ILE A 27 25.001 -5.860 -6.550 1.00 0.00 C ATOM 398 O ILE A 27 24.155 -5.545 -7.387 1.00 0.00 O ATOM 399 CB ILE A 27 25.586 -3.780 -5.302 1.00 0.00 C ATOM 400 CG1 ILE A 27 25.819 -3.174 -3.916 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.644 -2.906 -6.116 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.254 -2.764 -3.670 1.00 0.00 C ATOM 0 H ILE A 27 26.732 -5.661 -4.056 1.00 0.00 H new ATOM 0 HA ILE A 27 24.000 -5.150 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 27 26.543 -3.831 -5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.175 -2.303 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.521 -3.897 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.059 -1.902 -6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.523 -3.331 -7.112 1.00 0.00 H new ATOM 0 HG23 ILE A 27 23.674 -2.858 -5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.346 -2.343 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.902 -3.636 -3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.550 -2.017 -4.406 1.00 0.00 H new ATOM 414 N GLU A 28 25.940 -6.774 -6.777 1.00 0.00 N ATOM 415 CA GLU A 28 26.031 -7.473 -8.053 1.00 0.00 C ATOM 416 C GLU A 28 25.103 -8.684 -8.078 1.00 0.00 C ATOM 417 O GLU A 28 24.435 -8.947 -9.078 1.00 0.00 O ATOM 418 CB GLU A 28 27.472 -7.917 -8.315 1.00 0.00 C ATOM 419 CG GLU A 28 28.360 -6.812 -8.862 1.00 0.00 C ATOM 420 CD GLU A 28 28.690 -7.002 -10.330 1.00 0.00 C ATOM 421 OE1 GLU A 28 27.748 -7.172 -11.132 1.00 0.00 O ATOM 422 OE2 GLU A 28 29.889 -6.981 -10.676 1.00 0.00 O ATOM 0 H GLU A 28 26.647 -7.047 -6.095 1.00 0.00 H new ATOM 0 HA GLU A 28 25.722 -6.783 -8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.902 -8.291 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.465 -8.748 -9.020 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.863 -5.851 -8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.285 -6.776 -8.287 1.00 0.00 H new ATOM 429 N TRP A 29 25.066 -9.417 -6.971 1.00 0.00 N ATOM 430 CA TRP A 29 24.220 -10.600 -6.865 1.00 0.00 C ATOM 431 C TRP A 29 22.958 -10.297 -6.066 1.00 0.00 C ATOM 432 O TRP A 29 21.848 -10.595 -6.507 1.00 0.00 O ATOM 433 CB TRP A 29 24.991 -11.746 -6.209 1.00 0.00 C ATOM 434 CG TRP A 29 26.109 -12.273 -7.057 1.00 0.00 C ATOM 435 CD1 TRP A 29 26.593 -11.723 -8.209 1.00 0.00 C ATOM 436 CD2 TRP A 29 26.882 -13.455 -6.819 1.00 0.00 C ATOM 437 NE1 TRP A 29 27.619 -12.492 -8.703 1.00 0.00 N ATOM 438 CE2 TRP A 29 27.817 -13.559 -7.868 1.00 0.00 C ATOM 439 CE3 TRP A 29 26.877 -14.433 -5.822 1.00 0.00 C ATOM 440 CZ2 TRP A 29 28.734 -14.604 -7.946 1.00 0.00 C ATOM 441 CZ3 TRP A 29 27.787 -15.470 -5.901 1.00 0.00 C ATOM 442 CH2 TRP A 29 28.706 -15.548 -6.956 1.00 0.00 C ATOM 0 H TRP A 29 25.612 -9.213 -6.134 1.00 0.00 H new ATOM 0 HA TRP A 29 23.927 -10.898 -7.872 1.00 0.00 H new ATOM 0 HB2 TRP A 29 25.397 -11.403 -5.257 1.00 0.00 H new ATOM 0 HB3 TRP A 29 24.300 -12.559 -5.986 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.224 -10.816 -8.665 1.00 0.00 H new ATOM 0 HE1 TRP A 29 28.147 -12.299 -9.554 1.00 0.00 H new ATOM 0 HE3 TRP A 29 26.174 -14.380 -5.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 29.442 -14.667 -8.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 27.790 -16.233 -5.137 1.00 0.00 H new ATOM 0 HH2 TRP A 29 29.406 -16.370 -6.988 1.00 0.00 H new ATOM 453 N GLU A 30 23.135 -9.703 -4.891 1.00 0.00 N ATOM 454 CA GLU A 30 22.008 -9.360 -4.031 1.00 0.00 C ATOM 455 C GLU A 30 21.442 -7.991 -4.395 1.00 0.00 C ATOM 456 O GLU A 30 20.453 -7.540 -3.817 1.00 0.00 O ATOM 457 CB GLU A 30 22.436 -9.373 -2.562 1.00 0.00 C ATOM 458 CG GLU A 30 23.466 -10.441 -2.238 1.00 0.00 C ATOM 459 CD GLU A 30 23.892 -10.418 -0.783 1.00 0.00 C ATOM 460 OE1 GLU A 30 23.143 -9.862 0.047 1.00 0.00 O ATOM 461 OE2 GLU A 30 24.977 -10.956 -0.474 1.00 0.00 O ATOM 0 H GLU A 30 24.047 -9.449 -4.512 1.00 0.00 H new ATOM 0 HA GLU A 30 21.229 -10.107 -4.182 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.844 -8.396 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.556 -9.527 -1.937 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.054 -11.422 -2.477 1.00 0.00 H new ATOM 0 HG3 GLU A 30 24.342 -10.300 -2.871 1.00 0.00 H new ATOM 468 N LYS A 31 22.077 -7.332 -5.359 1.00 0.00 N ATOM 469 CA LYS A 31 21.639 -6.014 -5.803 1.00 0.00 C ATOM 470 C LYS A 31 21.315 -5.119 -4.611 1.00 0.00 C ATOM 471 O LYS A 31 20.405 -4.292 -4.674 1.00 0.00 O ATOM 472 CB LYS A 31 20.412 -6.140 -6.708 1.00 0.00 C ATOM 473 CG LYS A 31 20.543 -7.226 -7.763 1.00 0.00 C ATOM 474 CD LYS A 31 21.846 -7.099 -8.534 1.00 0.00 C ATOM 475 CE LYS A 31 21.952 -5.752 -9.233 1.00 0.00 C ATOM 476 NZ LYS A 31 20.739 -5.452 -10.044 1.00 0.00 N ATOM 0 H LYS A 31 22.897 -7.690 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 31 22.453 -5.558 -6.367 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.537 -6.347 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.236 -5.185 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.495 -8.205 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.703 -7.166 -8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.687 -7.223 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.913 -7.899 -9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 31 22.096 -4.967 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.831 -5.745 -9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 20.937 -4.657 -10.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 20.479 -6.290 -10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.953 -5.200 -9.412 1.00 0.00 H new ATOM 490 N ALA A 32 22.066 -5.288 -3.528 1.00 0.00 N ATOM 491 CA ALA A 32 21.860 -4.492 -2.324 1.00 0.00 C ATOM 492 C ALA A 32 22.484 -3.108 -2.467 1.00 0.00 C ATOM 493 O ALA A 32 22.973 -2.746 -3.537 1.00 0.00 O ATOM 494 CB ALA A 32 22.436 -5.210 -1.113 1.00 0.00 C ATOM 0 H ALA A 32 22.822 -5.969 -3.459 1.00 0.00 H new ATOM 0 HA ALA A 32 20.787 -4.365 -2.181 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.275 -4.605 -0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.941 -6.174 -0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.505 -5.367 -1.257 1.00 0.00 H new ATOM 500 N GLN A 33 22.463 -2.340 -1.383 1.00 0.00 N ATOM 501 CA GLN A 33 23.026 -0.994 -1.390 1.00 0.00 C ATOM 502 C GLN A 33 24.422 -0.985 -0.778 1.00 0.00 C ATOM 503 O GLN A 33 25.311 -0.272 -1.244 1.00 0.00 O ATOM 504 CB GLN A 33 22.114 -0.034 -0.625 1.00 0.00 C ATOM 505 CG GLN A 33 22.363 1.430 -0.950 1.00 0.00 C ATOM 506 CD GLN A 33 21.899 2.360 0.154 1.00 0.00 C ATOM 507 OE1 GLN A 33 22.627 3.264 0.566 1.00 0.00 O ATOM 508 NE2 GLN A 33 20.682 2.143 0.639 1.00 0.00 N ATOM 0 H GLN A 33 22.063 -2.626 -0.489 1.00 0.00 H new ATOM 0 HA GLN A 33 23.102 -0.664 -2.426 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.075 -0.276 -0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.253 -0.189 0.445 1.00 0.00 H new ATOM 0 HG2 GLN A 33 23.428 1.583 -1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.847 1.686 -1.876 1.00 0.00 H new ATOM 0 HE21 GLN A 33 20.113 1.382 0.268 1.00 0.00 H new ATOM 0 HE22 GLN A 33 20.316 2.737 1.383 1.00 0.00 H new ATOM 517 N HIS A 34 24.609 -1.782 0.270 1.00 0.00 N ATOM 518 CA HIS A 34 25.898 -1.866 0.947 1.00 0.00 C ATOM 519 C HIS A 34 26.159 -3.284 1.445 1.00 0.00 C ATOM 520 O HIS A 34 25.226 -4.030 1.741 1.00 0.00 O ATOM 521 CB HIS A 34 25.949 -0.884 2.117 1.00 0.00 C ATOM 522 CG HIS A 34 27.324 -0.366 2.406 1.00 0.00 C ATOM 523 ND1 HIS A 34 27.927 0.625 1.661 1.00 0.00 N ATOM 524 CD2 HIS A 34 28.215 -0.707 3.367 1.00 0.00 C ATOM 525 CE1 HIS A 34 29.129 0.870 2.149 1.00 0.00 C ATOM 526 NE2 HIS A 34 29.328 0.076 3.186 1.00 0.00 N ATOM 0 H HIS A 34 23.884 -2.379 0.668 1.00 0.00 H new ATOM 0 HA HIS A 34 26.675 -1.604 0.229 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.290 -0.042 1.903 1.00 0.00 H new ATOM 0 HB3 HIS A 34 25.560 -1.374 3.009 1.00 0.00 H new ATOM 0 HD2 HIS A 34 28.076 -1.455 4.133 1.00 0.00 H new ATOM 0 HE1 HIS A 34 29.830 1.596 1.766 1.00 0.00 H new ATOM 0 HE2 HIS A 34 30.171 0.049 3.759 1.00 0.00 H new ATOM 534 N GLY A 35 27.434 -3.650 1.535 1.00 0.00 N ATOM 535 CA GLY A 35 27.794 -4.978 1.998 1.00 0.00 C ATOM 536 C GLY A 35 28.689 -4.943 3.221 1.00 0.00 C ATOM 537 O GLY A 35 29.237 -3.897 3.568 1.00 0.00 O ATOM 0 H GLY A 35 28.224 -3.051 1.296 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.887 -5.536 2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 35 28.301 -5.514 1.196 1.00 0.00 H new ATOM 541 N ALA A 36 28.836 -6.089 3.877 1.00 0.00 N ATOM 542 CA ALA A 36 29.671 -6.186 5.068 1.00 0.00 C ATOM 543 C ALA A 36 30.139 -7.619 5.296 1.00 0.00 C ATOM 544 O ALA A 36 29.545 -8.566 4.779 1.00 0.00 O ATOM 545 CB ALA A 36 28.915 -5.675 6.285 1.00 0.00 C ATOM 0 H ALA A 36 28.388 -6.964 3.604 1.00 0.00 H new ATOM 0 HA ALA A 36 30.553 -5.564 4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 36 29.550 -5.753 7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 36 28.637 -4.633 6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.015 -6.272 6.432 1.00 0.00 H new ATOM 551 N CYS A 37 31.206 -7.772 6.072 1.00 0.00 N ATOM 552 CA CYS A 37 31.755 -9.090 6.368 1.00 0.00 C ATOM 553 C CYS A 37 32.030 -9.242 7.862 1.00 0.00 C ATOM 554 O CYS A 37 32.536 -8.324 8.508 1.00 0.00 O ATOM 555 CB CYS A 37 33.043 -9.318 5.576 1.00 0.00 C ATOM 556 SG CYS A 37 33.687 -11.019 5.678 1.00 0.00 S ATOM 0 H CYS A 37 31.709 -6.999 6.508 1.00 0.00 H new ATOM 0 HA CYS A 37 31.018 -9.837 6.074 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.862 -9.072 4.530 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.806 -8.629 5.938 1.00 0.00 H new ATOM 561 N HIS A 38 31.692 -10.408 8.404 1.00 0.00 N ATOM 562 CA HIS A 38 31.903 -10.681 9.821 1.00 0.00 C ATOM 563 C HIS A 38 32.280 -12.143 10.042 1.00 0.00 C ATOM 564 O HIS A 38 31.998 -13.001 9.206 1.00 0.00 O ATOM 565 CB HIS A 38 30.646 -10.340 10.621 1.00 0.00 C ATOM 566 CG HIS A 38 30.919 -9.530 11.850 1.00 0.00 C ATOM 567 ND1 HIS A 38 30.634 -9.975 13.124 1.00 0.00 N ATOM 568 CD2 HIS A 38 31.457 -8.296 11.996 1.00 0.00 C ATOM 569 CE1 HIS A 38 30.983 -9.050 14.000 1.00 0.00 C ATOM 570 NE2 HIS A 38 31.486 -8.021 13.341 1.00 0.00 N ATOM 0 H HIS A 38 31.271 -11.178 7.884 1.00 0.00 H new ATOM 0 HA HIS A 38 32.725 -10.055 10.168 1.00 0.00 H new ATOM 0 HB2 HIS A 38 29.956 -9.791 9.980 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.147 -11.265 10.909 1.00 0.00 H new ATOM 0 HD2 HIS A 38 31.800 -7.649 11.202 1.00 0.00 H new ATOM 0 HE1 HIS A 38 30.876 -9.122 15.072 1.00 0.00 H new ATOM 0 HE2 HIS A 38 31.839 -7.162 13.763 1.00 0.00 H new ATOM 578 N LYS A 39 32.919 -12.420 11.174 1.00 0.00 N ATOM 579 CA LYS A 39 33.335 -13.777 11.506 1.00 0.00 C ATOM 580 C LYS A 39 32.658 -14.255 12.787 1.00 0.00 C ATOM 581 O LYS A 39 32.819 -13.650 13.847 1.00 0.00 O ATOM 582 CB LYS A 39 34.855 -13.843 11.665 1.00 0.00 C ATOM 583 CG LYS A 39 35.396 -12.911 12.735 1.00 0.00 C ATOM 584 CD LYS A 39 35.734 -13.663 14.011 1.00 0.00 C ATOM 585 CE LYS A 39 37.116 -14.294 13.938 1.00 0.00 C ATOM 586 NZ LYS A 39 38.153 -13.432 14.569 1.00 0.00 N ATOM 0 H LYS A 39 33.160 -11.722 11.877 1.00 0.00 H new ATOM 0 HA LYS A 39 33.033 -14.433 10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.142 -14.866 11.907 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.323 -13.598 10.711 1.00 0.00 H new ATOM 0 HG2 LYS A 39 36.287 -12.406 12.362 1.00 0.00 H new ATOM 0 HG3 LYS A 39 34.659 -12.138 12.952 1.00 0.00 H new ATOM 0 HD2 LYS A 39 35.689 -12.980 14.859 1.00 0.00 H new ATOM 0 HD3 LYS A 39 34.988 -14.438 14.186 1.00 0.00 H new ATOM 0 HE2 LYS A 39 37.099 -15.264 14.434 1.00 0.00 H new ATOM 0 HE3 LYS A 39 37.378 -14.474 12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 39.081 -13.897 14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 38.187 -12.515 14.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 37.916 -13.281 15.570 1.00 0.00 H new ATOM 600 N ARG A 40 31.903 -15.343 12.682 1.00 0.00 N ATOM 601 CA ARG A 40 31.203 -15.902 13.832 1.00 0.00 C ATOM 602 C ARG A 40 30.396 -17.133 13.432 1.00 0.00 C ATOM 603 O ARG A 40 30.430 -17.562 12.279 1.00 0.00 O ATOM 604 CB ARG A 40 30.279 -14.852 14.452 1.00 0.00 C ATOM 605 CG ARG A 40 30.460 -14.692 15.953 1.00 0.00 C ATOM 606 CD ARG A 40 31.172 -13.392 16.292 1.00 0.00 C ATOM 607 NE ARG A 40 30.965 -13.002 17.684 1.00 0.00 N ATOM 608 CZ ARG A 40 31.663 -12.049 18.292 1.00 0.00 C ATOM 609 NH1 ARG A 40 32.609 -11.394 17.634 1.00 0.00 N ATOM 610 NH2 ARG A 40 31.416 -11.751 19.561 1.00 0.00 N ATOM 0 H ARG A 40 31.760 -15.855 11.812 1.00 0.00 H new ATOM 0 HA ARG A 40 31.948 -16.202 14.569 1.00 0.00 H new ATOM 0 HB2 ARG A 40 30.458 -13.892 13.969 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.244 -15.124 14.246 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.486 -14.713 16.442 1.00 0.00 H new ATOM 0 HG3 ARG A 40 31.032 -15.534 16.344 1.00 0.00 H new ATOM 0 HD2 ARG A 40 32.239 -13.503 16.101 1.00 0.00 H new ATOM 0 HD3 ARG A 40 30.812 -12.600 15.636 1.00 0.00 H new ATOM 0 HE ARG A 40 30.245 -13.488 18.219 1.00 0.00 H new ATOM 0 HH11 ARG A 40 32.802 -11.621 16.659 1.00 0.00 H new ATOM 0 HH12 ARG A 40 33.143 -10.663 18.103 1.00 0.00 H new ATOM 0 HH21 ARG A 40 30.690 -12.254 20.071 1.00 0.00 H new ATOM 0 HH22 ARG A 40 31.953 -11.019 20.027 1.00 0.00 H new ATOM 624 N GLU A 41 29.670 -17.697 14.393 1.00 0.00 N ATOM 625 CA GLU A 41 28.856 -18.880 14.140 1.00 0.00 C ATOM 626 C GLU A 41 29.701 -20.007 13.553 1.00 0.00 C ATOM 627 O GLU A 41 29.951 -20.046 12.349 1.00 0.00 O ATOM 628 CB GLU A 41 27.706 -18.541 13.189 1.00 0.00 C ATOM 629 CG GLU A 41 26.807 -17.425 13.695 1.00 0.00 C ATOM 630 CD GLU A 41 25.334 -17.776 13.602 1.00 0.00 C ATOM 631 OE1 GLU A 41 24.728 -17.513 12.543 1.00 0.00 O ATOM 632 OE2 GLU A 41 24.789 -18.313 14.589 1.00 0.00 O ATOM 0 H GLU A 41 29.629 -17.354 15.353 1.00 0.00 H new ATOM 0 HA GLU A 41 28.444 -19.216 15.091 1.00 0.00 H new ATOM 0 HB2 GLU A 41 28.118 -18.254 12.222 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.104 -19.435 13.026 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.059 -17.202 14.732 1.00 0.00 H new ATOM 0 HG3 GLU A 41 26.998 -16.520 13.119 1.00 0.00 H new ATOM 639 N ALA A 42 30.137 -20.921 14.413 1.00 0.00 N ATOM 640 CA ALA A 42 30.952 -22.050 13.980 1.00 0.00 C ATOM 641 C ALA A 42 32.233 -21.574 13.304 1.00 0.00 C ATOM 642 O ALA A 42 32.910 -22.344 12.625 1.00 0.00 O ATOM 643 CB ALA A 42 30.158 -22.945 13.041 1.00 0.00 C ATOM 0 H ALA A 42 29.940 -20.902 15.414 1.00 0.00 H new ATOM 0 HA ALA A 42 31.230 -22.626 14.863 1.00 0.00 H new ATOM 0 HB1 ALA A 42 30.779 -23.784 12.726 1.00 0.00 H new ATOM 0 HB2 ALA A 42 29.275 -23.321 13.557 1.00 0.00 H new ATOM 0 HB3 ALA A 42 29.850 -22.372 12.166 1.00 0.00 H new ATOM 649 N GLY A 43 32.559 -20.299 13.495 1.00 0.00 N ATOM 650 CA GLY A 43 33.758 -19.743 12.896 1.00 0.00 C ATOM 651 C GLY A 43 33.624 -19.554 11.398 1.00 0.00 C ATOM 652 O GLY A 43 34.589 -19.730 10.653 1.00 0.00 O ATOM 0 H GLY A 43 32.014 -19.642 14.054 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.981 -18.783 13.362 1.00 0.00 H new ATOM 0 HA3 GLY A 43 34.602 -20.401 13.102 1.00 0.00 H new ATOM 656 N LYS A 44 32.424 -19.196 10.953 1.00 0.00 N ATOM 657 CA LYS A 44 32.166 -18.983 9.534 1.00 0.00 C ATOM 658 C LYS A 44 31.986 -17.499 9.231 1.00 0.00 C ATOM 659 O LYS A 44 31.457 -16.749 10.050 1.00 0.00 O ATOM 660 CB LYS A 44 30.919 -19.758 9.100 1.00 0.00 C ATOM 661 CG LYS A 44 29.617 -19.098 9.519 1.00 0.00 C ATOM 662 CD LYS A 44 28.427 -20.014 9.285 1.00 0.00 C ATOM 663 CE LYS A 44 28.388 -21.146 10.300 1.00 0.00 C ATOM 664 NZ LYS A 44 27.453 -22.229 9.887 1.00 0.00 N ATOM 0 H LYS A 44 31.614 -19.047 11.555 1.00 0.00 H new ATOM 0 HA LYS A 44 33.027 -19.348 8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 44 30.929 -19.868 8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 44 30.960 -20.762 9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 44 29.668 -18.828 10.574 1.00 0.00 H new ATOM 0 HG3 LYS A 44 29.481 -18.173 8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 44 27.504 -19.437 9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.478 -20.428 8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.390 -21.558 10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 44 28.083 -20.754 11.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 27.455 -22.982 10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 26.492 -21.842 9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 27.758 -22.621 8.973 1.00 0.00 H new ATOM 678 N GLU A 45 32.428 -17.084 8.048 1.00 0.00 N ATOM 679 CA GLU A 45 32.315 -15.689 7.637 1.00 0.00 C ATOM 680 C GLU A 45 30.932 -15.402 7.061 1.00 0.00 C ATOM 681 O GLU A 45 30.461 -16.107 6.167 1.00 0.00 O ATOM 682 CB GLU A 45 33.391 -15.350 6.603 1.00 0.00 C ATOM 683 CG GLU A 45 34.738 -15.008 7.216 1.00 0.00 C ATOM 684 CD GLU A 45 35.272 -16.114 8.105 1.00 0.00 C ATOM 685 OE1 GLU A 45 35.203 -17.291 7.693 1.00 0.00 O ATOM 686 OE2 GLU A 45 35.758 -15.804 9.213 1.00 0.00 O ATOM 0 H GLU A 45 32.867 -17.693 7.358 1.00 0.00 H new ATOM 0 HA GLU A 45 32.459 -15.064 8.519 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.513 -16.197 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 45 33.051 -14.508 6.000 1.00 0.00 H new ATOM 0 HG2 GLU A 45 35.455 -14.809 6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.646 -14.091 7.799 1.00 0.00 H new ATOM 693 N SER A 46 30.285 -14.364 7.579 1.00 0.00 N ATOM 694 CA SER A 46 28.953 -13.986 7.120 1.00 0.00 C ATOM 695 C SER A 46 28.981 -12.622 6.437 1.00 0.00 C ATOM 696 O SER A 46 29.743 -11.735 6.825 1.00 0.00 O ATOM 697 CB SER A 46 27.973 -13.961 8.295 1.00 0.00 C ATOM 698 OG SER A 46 28.568 -13.380 9.443 1.00 0.00 O ATOM 0 H SER A 46 30.661 -13.769 8.317 1.00 0.00 H new ATOM 0 HA SER A 46 28.621 -14.729 6.395 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.083 -13.397 8.018 1.00 0.00 H new ATOM 0 HB3 SER A 46 27.649 -14.976 8.524 1.00 0.00 H new ATOM 0 HG SER A 46 27.921 -13.374 10.179 1.00 0.00 H new ATOM 704 N CYS A 47 28.144 -12.460 5.418 1.00 0.00 N ATOM 705 CA CYS A 47 28.070 -11.205 4.679 1.00 0.00 C ATOM 706 C CYS A 47 26.746 -10.495 4.944 1.00 0.00 C ATOM 707 O CYS A 47 25.676 -11.018 4.633 1.00 0.00 O ATOM 708 CB CYS A 47 28.234 -11.462 3.180 1.00 0.00 C ATOM 709 SG CYS A 47 28.785 -10.007 2.232 1.00 0.00 S ATOM 0 H CYS A 47 27.507 -13.183 5.085 1.00 0.00 H new ATOM 0 HA CYS A 47 28.881 -10.562 5.021 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.953 -12.269 3.037 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.283 -11.807 2.775 1.00 0.00 H new ATOM 714 N PHE A 48 26.827 -9.300 5.520 1.00 0.00 N ATOM 715 CA PHE A 48 25.636 -8.517 5.827 1.00 0.00 C ATOM 716 C PHE A 48 25.491 -7.345 4.861 1.00 0.00 C ATOM 717 O PHE A 48 26.379 -6.500 4.754 1.00 0.00 O ATOM 718 CB PHE A 48 25.696 -8.002 7.266 1.00 0.00 C ATOM 719 CG PHE A 48 24.803 -8.754 8.211 1.00 0.00 C ATOM 720 CD1 PHE A 48 23.450 -8.893 7.944 1.00 0.00 C ATOM 721 CD2 PHE A 48 25.315 -9.323 9.365 1.00 0.00 C ATOM 722 CE1 PHE A 48 22.625 -9.585 8.810 1.00 0.00 C ATOM 723 CE2 PHE A 48 24.496 -10.017 10.235 1.00 0.00 C ATOM 724 CZ PHE A 48 23.149 -10.147 9.958 1.00 0.00 C ATOM 0 H PHE A 48 27.705 -8.853 5.784 1.00 0.00 H new ATOM 0 HA PHE A 48 24.767 -9.165 5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 48 26.724 -8.065 7.623 1.00 0.00 H new ATOM 0 HB3 PHE A 48 25.418 -6.948 7.278 1.00 0.00 H new ATOM 0 HD1 PHE A 48 23.035 -8.455 7.048 1.00 0.00 H new ATOM 0 HD2 PHE A 48 26.367 -9.223 9.588 1.00 0.00 H new ATOM 0 HE1 PHE A 48 21.573 -9.686 8.590 1.00 0.00 H new ATOM 0 HE2 PHE A 48 24.909 -10.457 11.131 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.507 -10.687 10.638 1.00 0.00 H new ATOM 734 N CYS A 49 24.364 -7.302 4.157 1.00 0.00 N ATOM 735 CA CYS A 49 24.101 -6.236 3.199 1.00 0.00 C ATOM 736 C CYS A 49 22.749 -5.582 3.470 1.00 0.00 C ATOM 737 O CYS A 49 21.814 -6.234 3.935 1.00 0.00 O ATOM 738 CB CYS A 49 24.136 -6.785 1.771 1.00 0.00 C ATOM 739 SG CYS A 49 25.281 -8.182 1.540 1.00 0.00 S ATOM 0 H CYS A 49 23.618 -7.994 4.233 1.00 0.00 H new ATOM 0 HA CYS A 49 24.879 -5.481 3.311 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.132 -7.102 1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.418 -5.981 1.091 1.00 0.00 H new ATOM 744 N TYR A 50 22.654 -4.289 3.178 1.00 0.00 N ATOM 745 CA TYR A 50 21.419 -3.546 3.392 1.00 0.00 C ATOM 746 C TYR A 50 21.043 -2.743 2.150 1.00 0.00 C ATOM 747 O TYR A 50 21.907 -2.193 1.468 1.00 0.00 O ATOM 748 CB TYR A 50 21.564 -2.610 4.593 1.00 0.00 C ATOM 749 CG TYR A 50 21.951 -1.197 4.217 1.00 0.00 C ATOM 750 CD1 TYR A 50 20.982 -0.246 3.921 1.00 0.00 C ATOM 751 CD2 TYR A 50 23.285 -0.814 4.158 1.00 0.00 C ATOM 752 CE1 TYR A 50 21.331 1.045 3.576 1.00 0.00 C ATOM 753 CE2 TYR A 50 23.643 0.476 3.815 1.00 0.00 C ATOM 754 CZ TYR A 50 22.663 1.401 3.524 1.00 0.00 C ATOM 755 OH TYR A 50 23.015 2.687 3.182 1.00 0.00 O ATOM 0 H TYR A 50 23.418 -3.734 2.792 1.00 0.00 H new ATOM 0 HA TYR A 50 20.624 -4.264 3.593 1.00 0.00 H new ATOM 0 HB2 TYR A 50 20.622 -2.586 5.140 1.00 0.00 H new ATOM 0 HB3 TYR A 50 22.316 -3.016 5.270 1.00 0.00 H new ATOM 0 HD1 TYR A 50 19.938 -0.521 3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 50 24.055 -1.536 4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 50 20.565 1.772 3.348 1.00 0.00 H new ATOM 0 HE2 TYR A 50 24.685 0.758 3.775 1.00 0.00 H new ATOM 0 HH TYR A 50 22.973 2.790 2.208 1.00 0.00 H new ATOM 765 N PHE A 51 19.747 -2.681 1.863 1.00 0.00 N ATOM 766 CA PHE A 51 19.255 -1.947 0.704 1.00 0.00 C ATOM 767 C PHE A 51 17.883 -1.341 0.985 1.00 0.00 C ATOM 768 O PHE A 51 17.124 -1.853 1.809 1.00 0.00 O ATOM 769 CB PHE A 51 19.178 -2.868 -0.515 1.00 0.00 C ATOM 770 CG PHE A 51 18.547 -4.199 -0.221 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.305 -5.244 0.282 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.196 -4.405 -0.449 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.727 -6.470 0.554 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.612 -5.629 -0.178 1.00 0.00 C ATOM 775 CZ PHE A 51 17.379 -6.663 0.322 1.00 0.00 C ATOM 0 H PHE A 51 19.019 -3.131 2.418 1.00 0.00 H new ATOM 0 HA PHE A 51 19.954 -1.137 0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 51 18.609 -2.371 -1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 51 20.184 -3.029 -0.903 1.00 0.00 H new ATOM 0 HD1 PHE A 51 20.360 -5.099 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 51 16.592 -3.601 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 51 19.329 -7.276 0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.557 -5.776 -0.357 1.00 0.00 H new ATOM 0 HZ PHE A 51 16.926 -7.621 0.531 1.00 0.00 H new ATOM 785 N ASP A 52 17.572 -0.249 0.296 1.00 0.00 N ATOM 786 CA ASP A 52 16.292 0.427 0.471 1.00 0.00 C ATOM 787 C ASP A 52 15.148 -0.429 -0.063 1.00 0.00 C ATOM 788 O ASP A 52 15.169 -0.864 -1.215 1.00 0.00 O ATOM 789 CB ASP A 52 16.306 1.782 -0.238 1.00 0.00 C ATOM 790 CG ASP A 52 16.881 1.697 -1.639 1.00 0.00 C ATOM 791 OD1 ASP A 52 16.148 1.269 -2.555 1.00 0.00 O ATOM 792 OD2 ASP A 52 18.063 2.057 -1.818 1.00 0.00 O ATOM 0 H ASP A 52 18.189 0.187 -0.389 1.00 0.00 H new ATOM 0 HA ASP A 52 16.135 0.586 1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.290 2.173 -0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.891 2.490 0.349 1.00 0.00 H new ATOM 797 N CYS A 53 14.151 -0.669 0.782 1.00 0.00 N ATOM 798 CA CYS A 53 12.999 -1.475 0.396 1.00 0.00 C ATOM 799 C CYS A 53 11.732 -0.625 0.349 1.00 0.00 C ATOM 800 O CYS A 53 11.614 0.371 1.063 1.00 0.00 O ATOM 801 CB CYS A 53 12.811 -2.636 1.375 1.00 0.00 C ATOM 802 SG CYS A 53 13.426 -4.235 0.758 1.00 0.00 S ATOM 0 H CYS A 53 14.118 -0.317 1.739 1.00 0.00 H new ATOM 0 HA CYS A 53 13.185 -1.875 -0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 53 13.322 -2.397 2.308 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.751 -2.732 1.609 1.00 0.00 H new ATOM 807 N SER A 54 10.788 -1.026 -0.496 1.00 0.00 N ATOM 808 CA SER A 54 9.532 -0.300 -0.639 1.00 0.00 C ATOM 809 C SER A 54 9.782 1.200 -0.770 1.00 0.00 C ATOM 810 O SER A 54 8.997 2.017 -0.289 1.00 0.00 O ATOM 811 CB SER A 54 8.621 -0.573 0.559 1.00 0.00 C ATOM 812 OG SER A 54 7.961 -1.820 0.424 1.00 0.00 O ATOM 0 H SER A 54 10.869 -1.850 -1.092 1.00 0.00 H new ATOM 0 HA SER A 54 9.041 -0.650 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.210 -0.567 1.476 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.883 0.225 0.648 1.00 0.00 H new ATOM 0 HG SER A 54 7.386 -1.972 1.203 1.00 0.00 H new ATOM 818 N LYS A 55 10.883 1.554 -1.424 1.00 0.00 N ATOM 819 CA LYS A 55 11.240 2.954 -1.621 1.00 0.00 C ATOM 820 C LYS A 55 11.465 3.651 -0.283 1.00 0.00 C ATOM 821 O LYS A 55 10.776 4.616 0.048 1.00 0.00 O ATOM 822 CB LYS A 55 10.142 3.676 -2.406 1.00 0.00 C ATOM 823 CG LYS A 55 9.765 2.981 -3.703 1.00 0.00 C ATOM 824 CD LYS A 55 8.275 2.687 -3.766 1.00 0.00 C ATOM 825 CE LYS A 55 7.979 1.236 -3.418 1.00 0.00 C ATOM 826 NZ LYS A 55 7.408 0.494 -4.577 1.00 0.00 N ATOM 0 H LYS A 55 11.544 0.890 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 55 12.169 2.990 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.255 3.762 -1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.474 4.690 -2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.049 3.608 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.325 2.050 -3.794 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.744 3.343 -3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.902 2.906 -4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.896 0.747 -3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.280 1.198 -2.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.220 -0.491 -4.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.520 0.946 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.085 0.508 -5.366 1.00 0.00 H new