USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=16 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 Single : A 3 SER OG : rot 31:sc= 0.0715 USER MOD Single : A 4 LYS NZ :NH3+ 162:sc=-0.00218 (180deg=-0.129) USER MOD Single : A 8 LYS NZ :NH3+ -129:sc= -0.708 (180deg=-1.47) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -54:sc= -0.0172 USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= -0.136 (180deg=-0.822) USER MOD Single : A 12 THR OG1 : rot -135:sc= 0.126 USER MOD Single : A 13 TYR OH : rot 30:sc=0.000462 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -178:sc= 0.202 (180deg=0.197) USER MOD Single : A 19 ASN : amide:sc= -0.0457 X(o=-0.046,f=-0.046) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= -1.26 (180deg=-1.41) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.0159 (180deg=-0.196) USER MOD Single : A 33 GLN : amide:sc= -0.0565 X(o=-0.057,f=-0.3) USER MOD Single : A 34 HIS : no HD1:sc= -0.532 X(o=-0.53,f=-0.13) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -123:sc= 1.19 (180deg=-0.16) 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 50 TYR OH : 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 7.622 1.930 1.714 1.00 0.00 N ATOM 19 CA SER A 3 8.625 2.329 2.694 1.00 0.00 C ATOM 20 C SER A 3 9.058 1.138 3.545 1.00 0.00 C ATOM 21 O SER A 3 8.473 0.863 4.593 1.00 0.00 O ATOM 22 CB SER A 3 8.078 3.439 3.593 1.00 0.00 C ATOM 23 OG SER A 3 7.697 4.571 2.830 1.00 0.00 O ATOM 0 HA SER A 3 9.495 2.704 2.154 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.220 3.068 4.153 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.835 3.726 4.323 1.00 0.00 H new ATOM 0 HG SER A 3 7.386 4.281 1.947 1.00 0.00 H new ATOM 29 N LYS A 4 10.087 0.434 3.085 1.00 0.00 N ATOM 30 CA LYS A 4 10.601 -0.727 3.802 1.00 0.00 C ATOM 31 C LYS A 4 12.092 -0.912 3.541 1.00 0.00 C ATOM 32 O LYS A 4 12.601 -0.525 2.488 1.00 0.00 O ATOM 33 CB LYS A 4 9.840 -1.988 3.385 1.00 0.00 C ATOM 34 CG LYS A 4 9.413 -2.856 4.556 1.00 0.00 C ATOM 35 CD LYS A 4 10.583 -3.640 5.125 1.00 0.00 C ATOM 36 CE LYS A 4 10.159 -5.031 5.569 1.00 0.00 C ATOM 37 NZ LYS A 4 9.857 -5.916 4.410 1.00 0.00 N ATOM 0 H LYS A 4 10.581 0.647 2.219 1.00 0.00 H new ATOM 0 HA LYS A 4 10.455 -0.557 4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.956 -1.698 2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.468 -2.577 2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.980 -2.229 5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.634 -3.547 4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.368 -3.721 4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.007 -3.100 5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.951 -5.477 6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.279 -4.956 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.872 -6.909 4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.916 -5.684 4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.572 -5.773 3.669 1.00 0.00 H new ATOM 51 N LEU A 5 12.788 -1.505 4.504 1.00 0.00 N ATOM 52 CA LEU A 5 14.222 -1.742 4.378 1.00 0.00 C ATOM 53 C LEU A 5 14.503 -3.198 4.019 1.00 0.00 C ATOM 54 O LEU A 5 13.829 -4.109 4.502 1.00 0.00 O ATOM 55 CB LEU A 5 14.936 -1.379 5.681 1.00 0.00 C ATOM 56 CG LEU A 5 15.619 -0.011 5.713 1.00 0.00 C ATOM 57 CD1 LEU A 5 14.811 0.969 6.550 1.00 0.00 C ATOM 58 CD2 LEU A 5 17.036 -0.135 6.252 1.00 0.00 C ATOM 0 H LEU A 5 12.383 -1.831 5.381 1.00 0.00 H new ATOM 0 HA LEU A 5 14.601 -1.109 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.210 -1.420 6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 5 15.687 -2.143 5.886 1.00 0.00 H new ATOM 0 HG LEU A 5 15.672 0.372 4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 5 15.312 1.937 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 5 13.816 1.081 6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 5 14.725 0.593 7.569 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.507 0.848 6.268 1.00 0.00 H new ATOM 0 HD22 LEU A 5 17.006 -0.539 7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.612 -0.803 5.611 1.00 0.00 H new ATOM 70 N CYS A 6 15.504 -3.411 3.172 1.00 0.00 N ATOM 71 CA CYS A 6 15.877 -4.755 2.750 1.00 0.00 C ATOM 72 C CYS A 6 17.328 -5.058 3.116 1.00 0.00 C ATOM 73 O CYS A 6 18.233 -4.292 2.787 1.00 0.00 O ATOM 74 CB CYS A 6 15.677 -4.913 1.241 1.00 0.00 C ATOM 75 SG CYS A 6 13.931 -5.006 0.729 1.00 0.00 S ATOM 0 H CYS A 6 16.072 -2.669 2.764 1.00 0.00 H new ATOM 0 HA CYS A 6 15.233 -5.464 3.271 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.149 -4.073 0.733 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.190 -5.816 0.910 1.00 0.00 H new ATOM 80 N GLU A 7 17.538 -6.179 3.798 1.00 0.00 N ATOM 81 CA GLU A 7 18.878 -6.582 4.209 1.00 0.00 C ATOM 82 C GLU A 7 19.128 -8.052 3.885 1.00 0.00 C ATOM 83 O GLU A 7 18.255 -8.899 4.076 1.00 0.00 O ATOM 84 CB GLU A 7 19.071 -6.338 5.707 1.00 0.00 C ATOM 85 CG GLU A 7 20.292 -7.035 6.285 1.00 0.00 C ATOM 86 CD GLU A 7 21.058 -6.160 7.257 1.00 0.00 C ATOM 87 OE1 GLU A 7 21.573 -5.106 6.829 1.00 0.00 O ATOM 88 OE2 GLU A 7 21.141 -6.529 8.448 1.00 0.00 O ATOM 0 H GLU A 7 16.799 -6.824 4.077 1.00 0.00 H new ATOM 0 HA GLU A 7 19.597 -5.979 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.157 -5.266 5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.183 -6.678 6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 7 19.978 -7.947 6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.954 -7.334 5.472 1.00 0.00 H new ATOM 95 N LYS A 8 20.326 -8.348 3.393 1.00 0.00 N ATOM 96 CA LYS A 8 20.693 -9.715 3.043 1.00 0.00 C ATOM 97 C LYS A 8 21.634 -10.310 4.086 1.00 0.00 C ATOM 98 O LYS A 8 22.350 -9.586 4.777 1.00 0.00 O ATOM 99 CB LYS A 8 21.356 -9.749 1.664 1.00 0.00 C ATOM 100 CG LYS A 8 20.470 -9.221 0.549 1.00 0.00 C ATOM 101 CD LYS A 8 20.739 -7.752 0.272 1.00 0.00 C ATOM 102 CE LYS A 8 19.558 -7.090 -0.422 1.00 0.00 C ATOM 103 NZ LYS A 8 18.357 -7.038 0.456 1.00 0.00 N ATOM 0 H LYS A 8 21.060 -7.659 3.228 1.00 0.00 H new ATOM 0 HA LYS A 8 19.783 -10.314 3.017 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.273 -9.161 1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.643 -10.775 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.641 -9.801 -0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.423 -9.355 0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.947 -7.236 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.629 -7.655 -0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.833 -6.079 -0.721 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.318 -7.638 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.537 -7.423 -0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.528 -7.603 1.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.166 -6.052 0.724 1.00 0.00 H new ATOM 117 N THR A 9 21.628 -11.635 4.193 1.00 0.00 N ATOM 118 CA THR A 9 22.481 -12.328 5.151 1.00 0.00 C ATOM 119 C THR A 9 23.424 -13.298 4.448 1.00 0.00 C ATOM 120 O THR A 9 23.628 -14.422 4.906 1.00 0.00 O ATOM 121 CB THR A 9 21.646 -13.102 6.189 1.00 0.00 C ATOM 122 OG1 THR A 9 20.319 -12.568 6.248 1.00 0.00 O ATOM 123 CG2 THR A 9 22.290 -13.028 7.565 1.00 0.00 C ATOM 0 H THR A 9 21.042 -12.250 3.628 1.00 0.00 H new ATOM 0 HA THR A 9 23.067 -11.564 5.663 1.00 0.00 H new ATOM 0 HB THR A 9 21.603 -14.147 5.881 1.00 0.00 H new ATOM 0 HG1 THR A 9 19.795 -13.067 6.909 1.00 0.00 H new ATOM 0 HG21 THR A 9 21.683 -13.582 8.281 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.289 -13.463 7.523 1.00 0.00 H new ATOM 0 HG23 THR A 9 22.361 -11.986 7.878 1.00 0.00 H new ATOM 131 N SER A 10 23.996 -12.855 3.333 1.00 0.00 N ATOM 132 CA SER A 10 24.916 -13.686 2.564 1.00 0.00 C ATOM 133 C SER A 10 24.257 -15.006 2.173 1.00 0.00 C ATOM 134 O SER A 10 24.828 -16.079 2.365 1.00 0.00 O ATOM 135 CB SER A 10 26.187 -13.957 3.371 1.00 0.00 C ATOM 136 OG SER A 10 27.056 -14.833 2.674 1.00 0.00 O ATOM 0 H SER A 10 23.839 -11.926 2.942 1.00 0.00 H new ATOM 0 HA SER A 10 25.180 -13.148 1.654 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.700 -13.017 3.575 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.924 -14.392 4.335 1.00 0.00 H new ATOM 0 HG SER A 10 26.572 -15.650 2.432 1.00 0.00 H new ATOM 142 N LYS A 11 23.052 -14.917 1.622 1.00 0.00 N ATOM 143 CA LYS A 11 22.313 -16.102 1.201 1.00 0.00 C ATOM 144 C LYS A 11 22.605 -16.435 -0.258 1.00 0.00 C ATOM 145 O LYS A 11 21.699 -16.770 -1.023 1.00 0.00 O ATOM 146 CB LYS A 11 20.811 -15.888 1.396 1.00 0.00 C ATOM 147 CG LYS A 11 20.284 -16.432 2.713 1.00 0.00 C ATOM 148 CD LYS A 11 21.006 -15.815 3.899 1.00 0.00 C ATOM 149 CE LYS A 11 21.960 -16.805 4.548 1.00 0.00 C ATOM 150 NZ LYS A 11 21.253 -18.024 5.029 1.00 0.00 N ATOM 0 H LYS A 11 22.565 -14.036 1.456 1.00 0.00 H new ATOM 0 HA LYS A 11 22.637 -16.940 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.595 -14.821 1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 11 20.275 -16.365 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 11 19.216 -16.229 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 11 20.405 -17.515 2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 11 21.560 -14.936 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.276 -15.476 4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 11 22.730 -17.091 3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 11 22.467 -16.325 5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 21.751 -18.410 5.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.278 -17.778 5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.235 -18.737 4.272 1.00 0.00 H new ATOM 164 N THR A 12 23.875 -16.343 -0.640 1.00 0.00 N ATOM 165 CA THR A 12 24.286 -16.634 -2.007 1.00 0.00 C ATOM 166 C THR A 12 25.777 -16.380 -2.200 1.00 0.00 C ATOM 167 O THR A 12 26.424 -17.019 -3.029 1.00 0.00 O ATOM 168 CB THR A 12 23.497 -15.788 -3.023 1.00 0.00 C ATOM 169 OG1 THR A 12 24.071 -15.927 -4.328 1.00 0.00 O ATOM 170 CG2 THR A 12 23.493 -14.322 -2.619 1.00 0.00 C ATOM 0 H THR A 12 24.637 -16.069 -0.020 1.00 0.00 H new ATOM 0 HA THR A 12 24.075 -17.689 -2.182 1.00 0.00 H new ATOM 0 HB THR A 12 22.468 -16.147 -3.039 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.149 -15.044 -4.747 1.00 0.00 H new ATOM 0 HG21 THR A 12 22.930 -13.744 -3.352 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.029 -14.216 -1.639 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.518 -13.953 -2.577 1.00 0.00 H new ATOM 178 N TYR A 13 26.316 -15.443 -1.428 1.00 0.00 N ATOM 179 CA TYR A 13 27.731 -15.102 -1.515 1.00 0.00 C ATOM 180 C TYR A 13 28.591 -16.361 -1.586 1.00 0.00 C ATOM 181 O TYR A 13 29.106 -16.715 -2.647 1.00 0.00 O ATOM 182 CB TYR A 13 28.148 -14.254 -0.313 1.00 0.00 C ATOM 183 CG TYR A 13 29.627 -13.938 -0.278 1.00 0.00 C ATOM 184 CD1 TYR A 13 30.203 -13.107 -1.230 1.00 0.00 C ATOM 185 CD2 TYR A 13 30.447 -14.471 0.709 1.00 0.00 C ATOM 186 CE1 TYR A 13 31.553 -12.816 -1.202 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.798 -14.185 0.745 1.00 0.00 C ATOM 188 CZ TYR A 13 32.347 -13.358 -0.212 1.00 0.00 C ATOM 189 OH TYR A 13 33.692 -13.070 -0.180 1.00 0.00 O ATOM 0 H TYR A 13 25.795 -14.906 -0.735 1.00 0.00 H new ATOM 0 HA TYR A 13 27.884 -14.526 -2.428 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.586 -13.320 -0.325 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.875 -14.778 0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 13 29.584 -12.681 -2.006 1.00 0.00 H new ATOM 0 HD2 TYR A 13 30.021 -15.120 1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.985 -12.168 -1.951 1.00 0.00 H new ATOM 0 HE2 TYR A 13 32.421 -14.607 1.519 1.00 0.00 H new ATOM 0 HH TYR A 13 33.845 -12.178 -0.556 1.00 0.00 H new ATOM 199 N SER A 14 28.740 -17.032 -0.449 1.00 0.00 N ATOM 200 CA SER A 14 29.540 -18.250 -0.380 1.00 0.00 C ATOM 201 C SER A 14 30.918 -18.031 -0.996 1.00 0.00 C ATOM 202 O SER A 14 31.122 -18.263 -2.187 1.00 0.00 O ATOM 203 CB SER A 14 28.824 -19.396 -1.098 1.00 0.00 C ATOM 204 OG SER A 14 28.454 -20.416 -0.186 1.00 0.00 O ATOM 0 H SER A 14 28.318 -16.754 0.437 1.00 0.00 H new ATOM 0 HA SER A 14 29.669 -18.512 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 14 27.936 -19.015 -1.603 1.00 0.00 H new ATOM 0 HB3 SER A 14 29.475 -19.810 -1.868 1.00 0.00 H new ATOM 0 HG SER A 14 27.997 -21.136 -0.668 1.00 0.00 H new ATOM 210 N GLY A 15 31.862 -17.581 -0.174 1.00 0.00 N ATOM 211 CA GLY A 15 33.210 -17.338 -0.655 1.00 0.00 C ATOM 212 C GLY A 15 34.221 -17.254 0.471 1.00 0.00 C ATOM 213 O GLY A 15 34.002 -17.797 1.554 1.00 0.00 O ATOM 0 H GLY A 15 31.717 -17.381 0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 15 33.498 -18.137 -1.339 1.00 0.00 H new ATOM 0 HA3 GLY A 15 33.227 -16.409 -1.225 1.00 0.00 H new ATOM 217 N LYS A 16 35.332 -16.572 0.216 1.00 0.00 N ATOM 218 CA LYS A 16 36.382 -16.418 1.216 1.00 0.00 C ATOM 219 C LYS A 16 36.085 -15.242 2.141 1.00 0.00 C ATOM 220 O LYS A 16 36.891 -14.901 3.007 1.00 0.00 O ATOM 221 CB LYS A 16 37.738 -16.214 0.535 1.00 0.00 C ATOM 222 CG LYS A 16 37.823 -14.935 -0.279 1.00 0.00 C ATOM 223 CD LYS A 16 39.214 -14.734 -0.856 1.00 0.00 C ATOM 224 CE LYS A 16 39.312 -13.428 -1.631 1.00 0.00 C ATOM 225 NZ LYS A 16 40.106 -12.405 -0.896 1.00 0.00 N ATOM 0 H LYS A 16 35.529 -16.117 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 16 36.415 -17.329 1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 16 38.519 -16.204 1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 16 37.939 -17.064 -0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 16 37.094 -14.968 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.562 -14.084 0.350 1.00 0.00 H new ATOM 0 HD2 LYS A 16 39.947 -14.736 -0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 16 39.461 -15.568 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 16 39.771 -13.615 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 16 38.310 -13.043 -1.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 40.121 -11.519 -1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.673 -12.232 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 41.079 -12.748 -0.767 1.00 0.00 H new ATOM 239 N CYS A 17 34.922 -14.627 1.953 1.00 0.00 N ATOM 240 CA CYS A 17 34.517 -13.490 2.771 1.00 0.00 C ATOM 241 C CYS A 17 35.527 -12.352 2.660 1.00 0.00 C ATOM 242 O CYS A 17 36.563 -12.361 3.324 1.00 0.00 O ATOM 243 CB CYS A 17 34.369 -13.914 4.234 1.00 0.00 C ATOM 244 SG CYS A 17 34.200 -12.523 5.398 1.00 0.00 S ATOM 0 H CYS A 17 34.243 -14.897 1.241 1.00 0.00 H new ATOM 0 HA CYS A 17 33.554 -13.135 2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 17 33.496 -14.560 4.327 1.00 0.00 H new ATOM 0 HB3 CYS A 17 35.237 -14.508 4.518 1.00 0.00 H new ATOM 249 N ASP A 18 35.218 -11.375 1.815 1.00 0.00 N ATOM 250 CA ASP A 18 36.097 -10.228 1.617 1.00 0.00 C ATOM 251 C ASP A 18 35.338 -8.920 1.814 1.00 0.00 C ATOM 252 O ASP A 18 34.185 -8.919 2.244 1.00 0.00 O ATOM 253 CB ASP A 18 36.715 -10.268 0.218 1.00 0.00 C ATOM 254 CG ASP A 18 38.213 -10.036 0.239 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.884 -10.576 1.143 1.00 0.00 O ATOM 256 OD2 ASP A 18 38.713 -9.315 -0.648 1.00 0.00 O ATOM 0 H ASP A 18 34.365 -11.354 1.256 1.00 0.00 H new ATOM 0 HA ASP A 18 36.893 -10.280 2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.507 -11.235 -0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.242 -9.510 -0.407 1.00 0.00 H new ATOM 261 N ASN A 19 35.994 -7.808 1.499 1.00 0.00 N ATOM 262 CA ASN A 19 35.381 -6.492 1.643 1.00 0.00 C ATOM 263 C ASN A 19 34.686 -6.071 0.352 1.00 0.00 C ATOM 264 O ASN A 19 33.459 -6.008 0.286 1.00 0.00 O ATOM 265 CB ASN A 19 36.437 -5.455 2.030 1.00 0.00 C ATOM 266 CG ASN A 19 35.954 -4.033 1.819 1.00 0.00 C ATOM 267 OD1 ASN A 19 34.943 -3.618 2.386 1.00 0.00 O ATOM 268 ND2 ASN A 19 36.677 -3.278 1.000 1.00 0.00 N ATOM 0 H ASN A 19 36.950 -7.792 1.143 1.00 0.00 H new ATOM 0 HA ASN A 19 34.633 -6.551 2.434 1.00 0.00 H new ATOM 0 HB2 ASN A 19 36.710 -5.592 3.076 1.00 0.00 H new ATOM 0 HB3 ASN A 19 37.339 -5.621 1.441 1.00 0.00 H new ATOM 0 HD21 ASN A 19 36.401 -2.313 0.820 1.00 0.00 H new ATOM 0 HD22 ASN A 19 37.508 -3.663 0.551 1.00 0.00 H new ATOM 275 N LYS A 20 35.481 -5.784 -0.674 1.00 0.00 N ATOM 276 CA LYS A 20 34.944 -5.370 -1.965 1.00 0.00 C ATOM 277 C LYS A 20 34.184 -6.514 -2.630 1.00 0.00 C ATOM 278 O LYS A 20 33.146 -6.301 -3.257 1.00 0.00 O ATOM 279 CB LYS A 20 36.074 -4.894 -2.881 1.00 0.00 C ATOM 280 CG LYS A 20 35.632 -3.862 -3.905 1.00 0.00 C ATOM 281 CD LYS A 20 35.859 -4.353 -5.325 1.00 0.00 C ATOM 282 CE LYS A 20 34.838 -3.766 -6.287 1.00 0.00 C ATOM 283 NZ LYS A 20 35.292 -2.464 -6.850 1.00 0.00 N ATOM 0 H LYS A 20 36.499 -5.831 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 20 34.250 -4.546 -1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 20 36.871 -4.470 -2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.495 -5.754 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 20 34.575 -3.635 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 20 36.181 -2.934 -3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 20 36.864 -4.082 -5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 20 35.800 -5.441 -5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 20 34.658 -4.470 -7.099 1.00 0.00 H new ATOM 0 HE3 LYS A 20 33.889 -3.627 -5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 34.569 -2.096 -7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 35.440 -1.784 -6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 36.185 -2.601 -7.366 1.00 0.00 H new ATOM 297 N LYS A 21 34.706 -7.727 -2.488 1.00 0.00 N ATOM 298 CA LYS A 21 34.076 -8.905 -3.072 1.00 0.00 C ATOM 299 C LYS A 21 32.664 -9.094 -2.526 1.00 0.00 C ATOM 300 O LYS A 21 31.736 -9.406 -3.272 1.00 0.00 O ATOM 301 CB LYS A 21 34.916 -10.152 -2.786 1.00 0.00 C ATOM 302 CG LYS A 21 36.316 -10.090 -3.370 1.00 0.00 C ATOM 303 CD LYS A 21 36.284 -9.841 -4.869 1.00 0.00 C ATOM 304 CE LYS A 21 36.446 -8.364 -5.192 1.00 0.00 C ATOM 305 NZ LYS A 21 37.701 -8.095 -5.947 1.00 0.00 N ATOM 0 H LYS A 21 35.565 -7.920 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 21 34.013 -8.756 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 21 34.987 -10.292 -1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.402 -11.026 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.881 -9.297 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.838 -11.025 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 21 37.080 -10.409 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 21 35.341 -10.203 -5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 21 35.591 -8.024 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 21 36.449 -7.788 -4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 37.774 -7.077 -6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 38.519 -8.396 -5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 37.688 -8.624 -6.842 1.00 0.00 H new ATOM 319 N CYS A 22 32.508 -8.900 -1.221 1.00 0.00 N ATOM 320 CA CYS A 22 31.210 -9.048 -0.575 1.00 0.00 C ATOM 321 C CYS A 22 30.282 -7.896 -0.951 1.00 0.00 C ATOM 322 O CYS A 22 29.188 -8.112 -1.472 1.00 0.00 O ATOM 323 CB CYS A 22 31.376 -9.108 0.945 1.00 0.00 C ATOM 324 SG CYS A 22 29.804 -9.102 1.866 1.00 0.00 S ATOM 0 H CYS A 22 33.266 -8.640 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 22 30.764 -9.980 -0.922 1.00 0.00 H new ATOM 0 HB2 CYS A 22 31.933 -10.009 1.204 1.00 0.00 H new ATOM 0 HB3 CYS A 22 31.977 -8.258 1.268 1.00 0.00 H new ATOM 329 N ASP A 23 30.726 -6.674 -0.682 1.00 0.00 N ATOM 330 CA ASP A 23 29.937 -5.487 -0.992 1.00 0.00 C ATOM 331 C ASP A 23 29.510 -5.487 -2.456 1.00 0.00 C ATOM 332 O ASP A 23 28.361 -5.184 -2.779 1.00 0.00 O ATOM 333 CB ASP A 23 30.737 -4.221 -0.681 1.00 0.00 C ATOM 334 CG ASP A 23 29.846 -3.046 -0.327 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.637 -3.105 -0.634 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.358 -2.067 0.256 1.00 0.00 O ATOM 0 H ASP A 23 31.629 -6.479 -0.250 1.00 0.00 H new ATOM 0 HA ASP A 23 29.042 -5.503 -0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.418 -4.419 0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.351 -3.961 -1.544 1.00 0.00 H new ATOM 341 N LYS A 24 30.442 -5.827 -3.340 1.00 0.00 N ATOM 342 CA LYS A 24 30.163 -5.866 -4.770 1.00 0.00 C ATOM 343 C LYS A 24 29.139 -6.949 -5.095 1.00 0.00 C ATOM 344 O LYS A 24 28.177 -6.709 -5.825 1.00 0.00 O ATOM 345 CB LYS A 24 31.453 -6.118 -5.555 1.00 0.00 C ATOM 346 CG LYS A 24 31.222 -6.409 -7.028 1.00 0.00 C ATOM 347 CD LYS A 24 32.533 -6.592 -7.773 1.00 0.00 C ATOM 348 CE LYS A 24 32.531 -7.868 -8.601 1.00 0.00 C ATOM 349 NZ LYS A 24 33.903 -8.421 -8.771 1.00 0.00 N ATOM 0 H LYS A 24 31.398 -6.080 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 24 29.750 -4.900 -5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.101 -5.246 -5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.983 -6.958 -5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.615 -7.309 -7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.658 -5.591 -7.477 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.705 -5.735 -8.424 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.357 -6.621 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.897 -8.612 -8.120 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.097 -7.665 -9.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.859 -9.290 -9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.502 -7.721 -9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.308 -8.639 -7.838 1.00 0.00 H new ATOM 363 N LYS A 25 29.351 -8.141 -4.548 1.00 0.00 N ATOM 364 CA LYS A 25 28.444 -9.260 -4.777 1.00 0.00 C ATOM 365 C LYS A 25 27.043 -8.938 -4.269 1.00 0.00 C ATOM 366 O LYS A 25 26.055 -9.498 -4.745 1.00 0.00 O ATOM 367 CB LYS A 25 28.972 -10.519 -4.085 1.00 0.00 C ATOM 368 CG LYS A 25 27.929 -11.614 -3.938 1.00 0.00 C ATOM 369 CD LYS A 25 27.192 -11.508 -2.614 1.00 0.00 C ATOM 370 CE LYS A 25 25.759 -12.002 -2.732 1.00 0.00 C ATOM 371 NZ LYS A 25 25.028 -11.899 -1.439 1.00 0.00 N ATOM 0 H LYS A 25 30.143 -8.357 -3.943 1.00 0.00 H new ATOM 0 HA LYS A 25 28.389 -9.438 -5.851 1.00 0.00 H new ATOM 0 HB2 LYS A 25 29.818 -10.908 -4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 25 29.347 -10.251 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 25 27.215 -11.550 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 25 28.411 -12.589 -4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 25 27.717 -12.090 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 25 27.194 -10.471 -2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 25 25.236 -11.421 -3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 25 25.759 -13.039 -3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 24.022 -12.116 -1.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 25.429 -12.575 -0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 25.121 -10.934 -1.064 1.00 0.00 H new ATOM 385 N CYS A 26 26.963 -8.031 -3.301 1.00 0.00 N ATOM 386 CA CYS A 26 25.682 -7.633 -2.729 1.00 0.00 C ATOM 387 C CYS A 26 24.869 -6.818 -3.730 1.00 0.00 C ATOM 388 O CYS A 26 23.710 -7.129 -4.003 1.00 0.00 O ATOM 389 CB CYS A 26 25.901 -6.821 -1.451 1.00 0.00 C ATOM 390 SG CYS A 26 26.310 -7.829 0.010 1.00 0.00 S ATOM 0 H CYS A 26 27.771 -7.558 -2.896 1.00 0.00 H new ATOM 0 HA CYS A 26 25.124 -8.537 -2.486 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.705 -6.105 -1.622 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.000 -6.245 -1.241 1.00 0.00 H new ATOM 395 N ILE A 27 25.486 -5.773 -4.273 1.00 0.00 N ATOM 396 CA ILE A 27 24.820 -4.914 -5.245 1.00 0.00 C ATOM 397 C ILE A 27 24.792 -5.564 -6.624 1.00 0.00 C ATOM 398 O ILE A 27 24.022 -5.160 -7.495 1.00 0.00 O ATOM 399 CB ILE A 27 25.511 -3.542 -5.349 1.00 0.00 C ATOM 400 CG1 ILE A 27 25.773 -2.971 -3.954 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.662 -2.583 -6.170 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.238 -2.732 -3.664 1.00 0.00 C ATOM 0 H ILE A 27 26.445 -5.501 -4.056 1.00 0.00 H new ATOM 0 HA ILE A 27 23.798 -4.771 -4.893 1.00 0.00 H new ATOM 0 HB ILE A 27 26.469 -3.671 -5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.232 -2.031 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.371 -3.657 -3.208 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.163 -1.617 -6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.523 -2.987 -7.173 1.00 0.00 H new ATOM 0 HG23 ILE A 27 23.691 -2.456 -5.692 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.348 -2.327 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.782 -3.674 -3.738 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.641 -2.023 -4.387 1.00 0.00 H new ATOM 414 N GLU A 28 25.636 -6.573 -6.815 1.00 0.00 N ATOM 415 CA GLU A 28 25.707 -7.279 -8.089 1.00 0.00 C ATOM 416 C GLU A 28 24.632 -8.359 -8.173 1.00 0.00 C ATOM 417 O GLU A 28 23.973 -8.515 -9.201 1.00 0.00 O ATOM 418 CB GLU A 28 27.090 -7.905 -8.274 1.00 0.00 C ATOM 419 CG GLU A 28 28.128 -6.938 -8.819 1.00 0.00 C ATOM 420 CD GLU A 28 28.485 -7.220 -10.265 1.00 0.00 C ATOM 421 OE1 GLU A 28 29.214 -8.203 -10.515 1.00 0.00 O ATOM 422 OE2 GLU A 28 28.036 -6.458 -11.147 1.00 0.00 O ATOM 0 H GLU A 28 26.280 -6.920 -6.104 1.00 0.00 H new ATOM 0 HA GLU A 28 25.534 -6.556 -8.886 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.435 -8.293 -7.316 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.007 -8.755 -8.951 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.750 -5.919 -8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.029 -6.996 -8.208 1.00 0.00 H new ATOM 429 N TRP A 29 24.462 -9.101 -7.085 1.00 0.00 N ATOM 430 CA TRP A 29 23.468 -10.167 -7.035 1.00 0.00 C ATOM 431 C TRP A 29 22.242 -9.732 -6.240 1.00 0.00 C ATOM 432 O TRP A 29 21.111 -9.856 -6.710 1.00 0.00 O ATOM 433 CB TRP A 29 24.072 -11.427 -6.414 1.00 0.00 C ATOM 434 CG TRP A 29 24.876 -12.240 -7.383 1.00 0.00 C ATOM 435 CD1 TRP A 29 25.769 -11.771 -8.303 1.00 0.00 C ATOM 436 CD2 TRP A 29 24.858 -13.664 -7.529 1.00 0.00 C ATOM 437 NE1 TRP A 29 26.308 -12.817 -9.012 1.00 0.00 N ATOM 438 CE2 TRP A 29 25.766 -13.990 -8.556 1.00 0.00 C ATOM 439 CE3 TRP A 29 24.165 -14.697 -6.890 1.00 0.00 C ATOM 440 CZ2 TRP A 29 25.995 -15.303 -8.958 1.00 0.00 C ATOM 441 CZ3 TRP A 29 24.394 -15.999 -7.291 1.00 0.00 C ATOM 442 CH2 TRP A 29 25.303 -16.294 -8.315 1.00 0.00 C ATOM 0 H TRP A 29 24.999 -8.984 -6.226 1.00 0.00 H new ATOM 0 HA TRP A 29 23.157 -10.387 -8.056 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.707 -11.141 -5.576 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.270 -12.045 -6.010 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.016 -10.730 -8.452 1.00 0.00 H new ATOM 0 HE1 TRP A 29 27.000 -12.734 -9.757 1.00 0.00 H new ATOM 0 HE3 TRP A 29 23.464 -14.481 -6.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 26.694 -15.532 -9.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 23.862 -16.804 -6.806 1.00 0.00 H new ATOM 0 HH2 TRP A 29 25.461 -17.323 -8.603 1.00 0.00 H new ATOM 453 N GLU A 30 22.474 -9.221 -5.035 1.00 0.00 N ATOM 454 CA GLU A 30 21.386 -8.768 -4.176 1.00 0.00 C ATOM 455 C GLU A 30 20.987 -7.334 -4.514 1.00 0.00 C ATOM 456 O GLU A 30 20.060 -6.780 -3.923 1.00 0.00 O ATOM 457 CB GLU A 30 21.796 -8.861 -2.704 1.00 0.00 C ATOM 458 CG GLU A 30 22.571 -10.124 -2.367 1.00 0.00 C ATOM 459 CD GLU A 30 21.762 -11.385 -2.602 1.00 0.00 C ATOM 460 OE1 GLU A 30 21.434 -11.670 -3.772 1.00 0.00 O ATOM 461 OE2 GLU A 30 21.458 -12.086 -1.614 1.00 0.00 O ATOM 0 H GLU A 30 23.404 -9.110 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 30 20.527 -9.417 -4.348 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.404 -7.993 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 30 20.901 -8.817 -2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.478 -10.161 -2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 30 22.884 -10.086 -1.323 1.00 0.00 H new ATOM 468 N LYS A 31 21.693 -6.739 -5.469 1.00 0.00 N ATOM 469 CA LYS A 31 21.414 -5.371 -5.888 1.00 0.00 C ATOM 470 C LYS A 31 21.191 -4.467 -4.681 1.00 0.00 C ATOM 471 O LYS A 31 20.388 -3.536 -4.731 1.00 0.00 O ATOM 472 CB LYS A 31 20.185 -5.336 -6.800 1.00 0.00 C ATOM 473 CG LYS A 31 20.210 -6.388 -7.895 1.00 0.00 C ATOM 474 CD LYS A 31 21.517 -6.357 -8.669 1.00 0.00 C ATOM 475 CE LYS A 31 21.758 -4.995 -9.301 1.00 0.00 C ATOM 476 NZ LYS A 31 20.626 -4.581 -10.176 1.00 0.00 N ATOM 0 H LYS A 31 22.464 -7.183 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 31 22.279 -5.003 -6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.290 -5.475 -6.194 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.110 -4.349 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.070 -7.375 -7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.377 -6.223 -8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.343 -6.600 -8.001 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.499 -7.122 -9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 31 21.902 -4.251 -8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.677 -5.024 -9.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 20.909 -3.756 -10.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 20.372 -5.366 -10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.805 -4.332 -9.588 1.00 0.00 H new ATOM 490 N ALA A 32 21.907 -4.747 -3.597 1.00 0.00 N ATOM 491 CA ALA A 32 21.789 -3.956 -2.378 1.00 0.00 C ATOM 492 C ALA A 32 22.555 -2.643 -2.499 1.00 0.00 C ATOM 493 O ALA A 32 22.980 -2.261 -3.589 1.00 0.00 O ATOM 494 CB ALA A 32 22.289 -4.753 -1.182 1.00 0.00 C ATOM 0 H ALA A 32 22.575 -5.516 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 32 20.736 -3.719 -2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.195 -4.151 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.695 -5.661 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.335 -5.019 -1.334 1.00 0.00 H new ATOM 500 N GLN A 33 22.727 -1.958 -1.373 1.00 0.00 N ATOM 501 CA GLN A 33 23.441 -0.687 -1.355 1.00 0.00 C ATOM 502 C GLN A 33 24.841 -0.857 -0.774 1.00 0.00 C ATOM 503 O GLN A 33 25.822 -0.373 -1.340 1.00 0.00 O ATOM 504 CB GLN A 33 22.661 0.348 -0.542 1.00 0.00 C ATOM 505 CG GLN A 33 22.030 1.439 -1.391 1.00 0.00 C ATOM 506 CD GLN A 33 22.625 2.807 -1.122 1.00 0.00 C ATOM 507 OE1 GLN A 33 22.841 3.187 0.029 1.00 0.00 O ATOM 508 NE2 GLN A 33 22.895 3.555 -2.185 1.00 0.00 N ATOM 0 H GLN A 33 22.382 -2.262 -0.462 1.00 0.00 H new ATOM 0 HA GLN A 33 23.534 -0.337 -2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.879 -0.160 0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.331 0.807 0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.157 1.193 -2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 33 20.958 1.469 -1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.700 3.200 -3.121 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.298 4.485 -2.066 1.00 0.00 H new ATOM 517 N HIS A 34 24.927 -1.547 0.359 1.00 0.00 N ATOM 518 CA HIS A 34 26.208 -1.782 1.016 1.00 0.00 C ATOM 519 C HIS A 34 26.289 -3.207 1.554 1.00 0.00 C ATOM 520 O HIS A 34 25.270 -3.871 1.738 1.00 0.00 O ATOM 521 CB HIS A 34 26.412 -0.781 2.154 1.00 0.00 C ATOM 522 CG HIS A 34 27.833 -0.680 2.615 1.00 0.00 C ATOM 523 ND1 HIS A 34 28.736 0.213 2.078 1.00 0.00 N ATOM 524 CD2 HIS A 34 28.505 -1.365 3.569 1.00 0.00 C ATOM 525 CE1 HIS A 34 29.903 0.071 2.681 1.00 0.00 C ATOM 526 NE2 HIS A 34 29.789 -0.880 3.591 1.00 0.00 N ATOM 0 H HIS A 34 24.125 -1.953 0.841 1.00 0.00 H new ATOM 0 HA HIS A 34 26.998 -1.647 0.277 1.00 0.00 H new ATOM 0 HB2 HIS A 34 26.074 0.202 1.827 1.00 0.00 H new ATOM 0 HB3 HIS A 34 25.785 -1.069 2.997 1.00 0.00 H new ATOM 0 HD2 HIS A 34 28.105 -2.148 4.197 1.00 0.00 H new ATOM 0 HE1 HIS A 34 30.798 0.636 2.466 1.00 0.00 H new ATOM 0 HE2 HIS A 34 30.534 -1.202 4.209 1.00 0.00 H new ATOM 534 N GLY A 35 27.509 -3.671 1.805 1.00 0.00 N ATOM 535 CA GLY A 35 27.701 -5.014 2.320 1.00 0.00 C ATOM 536 C GLY A 35 28.920 -5.125 3.214 1.00 0.00 C ATOM 537 O GLY A 35 29.932 -4.466 2.978 1.00 0.00 O ATOM 0 H GLY A 35 28.368 -3.141 1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.815 -5.315 2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.802 -5.708 1.486 1.00 0.00 H new ATOM 541 N ALA A 36 28.823 -5.959 4.243 1.00 0.00 N ATOM 542 CA ALA A 36 29.927 -6.154 5.175 1.00 0.00 C ATOM 543 C ALA A 36 30.053 -7.619 5.578 1.00 0.00 C ATOM 544 O ALA A 36 29.098 -8.388 5.469 1.00 0.00 O ATOM 545 CB ALA A 36 29.738 -5.280 6.407 1.00 0.00 C ATOM 0 H ALA A 36 27.991 -6.511 4.453 1.00 0.00 H new ATOM 0 HA ALA A 36 30.850 -5.862 4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.569 -5.436 7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 36 29.705 -4.232 6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.804 -5.546 6.902 1.00 0.00 H new ATOM 551 N CYS A 37 31.238 -7.999 6.044 1.00 0.00 N ATOM 552 CA CYS A 37 31.491 -9.373 6.462 1.00 0.00 C ATOM 553 C CYS A 37 31.943 -9.423 7.919 1.00 0.00 C ATOM 554 O CYS A 37 32.558 -8.483 8.423 1.00 0.00 O ATOM 555 CB CYS A 37 32.551 -10.015 5.565 1.00 0.00 C ATOM 556 SG CYS A 37 32.347 -11.811 5.342 1.00 0.00 S ATOM 0 H CYS A 37 32.039 -7.375 6.142 1.00 0.00 H new ATOM 0 HA CYS A 37 30.560 -9.932 6.369 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.525 -9.533 4.588 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.536 -9.822 5.989 1.00 0.00 H new ATOM 561 N HIS A 38 31.633 -10.528 8.591 1.00 0.00 N ATOM 562 CA HIS A 38 32.008 -10.702 9.990 1.00 0.00 C ATOM 563 C HIS A 38 32.148 -12.182 10.335 1.00 0.00 C ATOM 564 O HIS A 38 31.395 -13.020 9.839 1.00 0.00 O ATOM 565 CB HIS A 38 30.970 -10.050 10.903 1.00 0.00 C ATOM 566 CG HIS A 38 31.530 -9.589 12.213 1.00 0.00 C ATOM 567 ND1 HIS A 38 31.952 -8.295 12.438 1.00 0.00 N ATOM 568 CD2 HIS A 38 31.735 -10.257 13.373 1.00 0.00 C ATOM 569 CE1 HIS A 38 32.394 -8.188 13.679 1.00 0.00 C ATOM 570 NE2 HIS A 38 32.273 -9.365 14.267 1.00 0.00 N ATOM 0 H HIS A 38 31.124 -11.315 8.190 1.00 0.00 H new ATOM 0 HA HIS A 38 32.972 -10.218 10.145 1.00 0.00 H new ATOM 0 HB2 HIS A 38 30.528 -9.198 10.386 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.166 -10.761 11.091 1.00 0.00 H new ATOM 0 HD2 HIS A 38 31.516 -11.298 13.560 1.00 0.00 H new ATOM 0 HE1 HIS A 38 32.787 -7.291 14.135 1.00 0.00 H new ATOM 0 HE2 HIS A 38 32.537 -9.577 15.229 1.00 0.00 H new ATOM 578 N LYS A 39 33.118 -12.496 11.187 1.00 0.00 N ATOM 579 CA LYS A 39 33.357 -13.874 11.599 1.00 0.00 C ATOM 580 C LYS A 39 32.668 -14.173 12.927 1.00 0.00 C ATOM 581 O LYS A 39 32.798 -13.415 13.889 1.00 0.00 O ATOM 582 CB LYS A 39 34.860 -14.138 11.722 1.00 0.00 C ATOM 583 CG LYS A 39 35.527 -13.347 12.834 1.00 0.00 C ATOM 584 CD LYS A 39 35.709 -14.190 14.085 1.00 0.00 C ATOM 585 CE LYS A 39 35.971 -13.324 15.308 1.00 0.00 C ATOM 586 NZ LYS A 39 34.721 -12.701 15.824 1.00 0.00 N ATOM 0 H LYS A 39 33.751 -11.815 11.606 1.00 0.00 H new ATOM 0 HA LYS A 39 32.939 -14.532 10.837 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.020 -15.202 11.897 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.342 -13.895 10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 39 36.497 -12.985 12.493 1.00 0.00 H new ATOM 0 HG3 LYS A 39 34.925 -12.470 13.070 1.00 0.00 H new ATOM 0 HD2 LYS A 39 34.817 -14.795 14.250 1.00 0.00 H new ATOM 0 HD3 LYS A 39 36.540 -14.880 13.942 1.00 0.00 H new ATOM 0 HE2 LYS A 39 36.425 -13.930 16.092 1.00 0.00 H new ATOM 0 HE3 LYS A 39 36.688 -12.543 15.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 34.832 -11.667 15.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 33.926 -12.951 15.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 34.531 -13.049 16.786 1.00 0.00 H new ATOM 600 N ARG A 40 31.936 -15.281 12.972 1.00 0.00 N ATOM 601 CA ARG A 40 31.226 -15.679 14.182 1.00 0.00 C ATOM 602 C ARG A 40 30.967 -17.183 14.190 1.00 0.00 C ATOM 603 O ARG A 40 31.349 -17.893 13.261 1.00 0.00 O ATOM 604 CB ARG A 40 29.902 -14.921 14.295 1.00 0.00 C ATOM 605 CG ARG A 40 29.952 -13.749 15.262 1.00 0.00 C ATOM 606 CD ARG A 40 29.185 -14.049 16.541 1.00 0.00 C ATOM 607 NE ARG A 40 29.223 -12.929 17.477 1.00 0.00 N ATOM 608 CZ ARG A 40 28.364 -12.779 18.479 1.00 0.00 C ATOM 609 NH1 ARG A 40 27.406 -13.675 18.675 1.00 0.00 N ATOM 610 NH2 ARG A 40 28.464 -11.733 19.289 1.00 0.00 N ATOM 0 H ARG A 40 31.819 -15.919 12.185 1.00 0.00 H new ATOM 0 HA ARG A 40 31.852 -15.431 15.039 1.00 0.00 H new ATOM 0 HB2 ARG A 40 29.617 -14.555 13.309 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.123 -15.613 14.616 1.00 0.00 H new ATOM 0 HG2 ARG A 40 30.990 -13.520 15.504 1.00 0.00 H new ATOM 0 HG3 ARG A 40 29.533 -12.863 14.784 1.00 0.00 H new ATOM 0 HD2 ARG A 40 28.149 -14.282 16.296 1.00 0.00 H new ATOM 0 HD3 ARG A 40 29.607 -14.934 17.017 1.00 0.00 H new ATOM 0 HE ARG A 40 29.949 -12.223 17.355 1.00 0.00 H new ATOM 0 HH11 ARG A 40 27.328 -14.482 18.056 1.00 0.00 H new ATOM 0 HH12 ARG A 40 26.748 -13.558 19.445 1.00 0.00 H new ATOM 0 HH21 ARG A 40 29.201 -11.043 19.143 1.00 0.00 H new ATOM 0 HH22 ARG A 40 27.804 -11.619 20.058 1.00 0.00 H new ATOM 624 N GLU A 41 30.315 -17.660 15.246 1.00 0.00 N ATOM 625 CA GLU A 41 30.006 -19.079 15.375 1.00 0.00 C ATOM 626 C GLU A 41 31.284 -19.908 15.467 1.00 0.00 C ATOM 627 O GLU A 41 32.367 -19.374 15.706 1.00 0.00 O ATOM 628 CB GLU A 41 29.164 -19.550 14.188 1.00 0.00 C ATOM 629 CG GLU A 41 28.112 -18.545 13.751 1.00 0.00 C ATOM 630 CD GLU A 41 27.399 -17.900 14.923 1.00 0.00 C ATOM 631 OE1 GLU A 41 27.201 -18.585 15.948 1.00 0.00 O ATOM 632 OE2 GLU A 41 27.039 -16.709 14.815 1.00 0.00 O ATOM 0 H GLU A 41 29.991 -17.085 16.024 1.00 0.00 H new ATOM 0 HA GLU A 41 29.436 -19.219 16.294 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.824 -19.762 13.347 1.00 0.00 H new ATOM 0 HB3 GLU A 41 28.672 -20.487 14.451 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.584 -17.770 13.147 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.380 -19.044 13.115 1.00 0.00 H new ATOM 639 N ALA A 42 31.149 -21.216 15.276 1.00 0.00 N ATOM 640 CA ALA A 42 32.292 -22.119 15.336 1.00 0.00 C ATOM 641 C ALA A 42 33.469 -21.568 14.538 1.00 0.00 C ATOM 642 O ALA A 42 34.626 -21.743 14.920 1.00 0.00 O ATOM 643 CB ALA A 42 31.903 -23.497 14.822 1.00 0.00 C ATOM 0 H ALA A 42 30.259 -21.674 15.078 1.00 0.00 H new ATOM 0 HA ALA A 42 32.601 -22.205 16.378 1.00 0.00 H new ATOM 0 HB1 ALA A 42 32.766 -24.161 14.872 1.00 0.00 H new ATOM 0 HB2 ALA A 42 31.098 -23.901 15.436 1.00 0.00 H new ATOM 0 HB3 ALA A 42 31.566 -23.418 13.788 1.00 0.00 H new ATOM 649 N GLY A 43 33.166 -20.902 13.428 1.00 0.00 N ATOM 650 CA GLY A 43 34.210 -20.336 12.594 1.00 0.00 C ATOM 651 C GLY A 43 33.720 -20.001 11.199 1.00 0.00 C ATOM 652 O GLY A 43 34.452 -20.158 10.221 1.00 0.00 O ATOM 0 H GLY A 43 32.216 -20.744 13.091 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.598 -19.433 13.066 1.00 0.00 H new ATOM 0 HA3 GLY A 43 35.038 -21.041 12.525 1.00 0.00 H new ATOM 656 N LYS A 44 32.478 -19.540 11.105 1.00 0.00 N ATOM 657 CA LYS A 44 31.889 -19.181 9.820 1.00 0.00 C ATOM 658 C LYS A 44 31.696 -17.672 9.712 1.00 0.00 C ATOM 659 O LYS A 44 31.231 -17.028 10.652 1.00 0.00 O ATOM 660 CB LYS A 44 30.547 -19.892 9.635 1.00 0.00 C ATOM 661 CG LYS A 44 29.470 -19.418 10.595 1.00 0.00 C ATOM 662 CD LYS A 44 28.476 -20.524 10.908 1.00 0.00 C ATOM 663 CE LYS A 44 29.117 -21.635 11.724 1.00 0.00 C ATOM 664 NZ LYS A 44 29.000 -22.958 11.050 1.00 0.00 N ATOM 0 H LYS A 44 31.859 -19.406 11.904 1.00 0.00 H new ATOM 0 HA LYS A 44 32.573 -19.499 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 44 30.203 -19.740 8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 44 30.692 -20.964 9.766 1.00 0.00 H new ATOM 0 HG2 LYS A 44 29.932 -19.071 11.519 1.00 0.00 H new ATOM 0 HG3 LYS A 44 28.944 -18.567 10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 44 27.630 -20.110 11.457 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.082 -20.935 9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 44 30.169 -21.403 11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 44 28.644 -21.684 12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 29.449 -23.688 11.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 27.996 -23.191 10.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 29.473 -22.919 10.125 1.00 0.00 H new ATOM 678 N GLU A 45 32.056 -17.115 8.560 1.00 0.00 N ATOM 679 CA GLU A 45 31.921 -15.681 8.330 1.00 0.00 C ATOM 680 C GLU A 45 30.624 -15.369 7.588 1.00 0.00 C ATOM 681 O GLU A 45 30.339 -15.954 6.543 1.00 0.00 O ATOM 682 CB GLU A 45 33.117 -15.155 7.535 1.00 0.00 C ATOM 683 CG GLU A 45 34.152 -14.445 8.391 1.00 0.00 C ATOM 684 CD GLU A 45 35.525 -14.421 7.746 1.00 0.00 C ATOM 685 OE1 GLU A 45 35.854 -15.380 7.017 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.269 -13.444 7.970 1.00 0.00 O ATOM 0 H GLU A 45 32.443 -17.634 7.772 1.00 0.00 H new ATOM 0 HA GLU A 45 31.893 -15.184 9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.594 -15.988 7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.759 -14.468 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.824 -13.422 8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.218 -14.940 9.360 1.00 0.00 H new ATOM 693 N SER A 46 29.844 -14.443 8.136 1.00 0.00 N ATOM 694 CA SER A 46 28.576 -14.056 7.529 1.00 0.00 C ATOM 695 C SER A 46 28.663 -12.652 6.938 1.00 0.00 C ATOM 696 O SER A 46 29.258 -11.752 7.531 1.00 0.00 O ATOM 697 CB SER A 46 27.451 -14.116 8.564 1.00 0.00 C ATOM 698 OG SER A 46 27.907 -14.683 9.781 1.00 0.00 O ATOM 0 H SER A 46 30.068 -13.947 8.999 1.00 0.00 H new ATOM 0 HA SER A 46 28.358 -14.758 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.068 -13.112 8.748 1.00 0.00 H new ATOM 0 HB3 SER A 46 26.623 -14.706 8.172 1.00 0.00 H new ATOM 0 HG SER A 46 27.170 -14.709 10.426 1.00 0.00 H new ATOM 704 N CYS A 47 28.066 -12.473 5.764 1.00 0.00 N ATOM 705 CA CYS A 47 28.075 -11.180 5.090 1.00 0.00 C ATOM 706 C CYS A 47 26.675 -10.576 5.054 1.00 0.00 C ATOM 707 O CYS A 47 25.745 -11.168 4.506 1.00 0.00 O ATOM 708 CB CYS A 47 28.616 -11.328 3.667 1.00 0.00 C ATOM 709 SG CYS A 47 30.140 -10.382 3.348 1.00 0.00 S ATOM 0 H CYS A 47 27.570 -13.208 5.260 1.00 0.00 H new ATOM 0 HA CYS A 47 28.726 -10.510 5.651 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.808 -12.383 3.471 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.848 -11.008 2.963 1.00 0.00 H new ATOM 714 N PHE A 48 26.532 -9.392 5.642 1.00 0.00 N ATOM 715 CA PHE A 48 25.245 -8.707 5.678 1.00 0.00 C ATOM 716 C PHE A 48 25.255 -7.484 4.766 1.00 0.00 C ATOM 717 O PHE A 48 26.259 -6.778 4.665 1.00 0.00 O ATOM 718 CB PHE A 48 24.908 -8.286 7.110 1.00 0.00 C ATOM 719 CG PHE A 48 26.088 -7.757 7.873 1.00 0.00 C ATOM 720 CD1 PHE A 48 26.933 -8.619 8.554 1.00 0.00 C ATOM 721 CD2 PHE A 48 26.353 -6.397 7.910 1.00 0.00 C ATOM 722 CE1 PHE A 48 28.019 -8.134 9.258 1.00 0.00 C ATOM 723 CE2 PHE A 48 27.438 -5.907 8.612 1.00 0.00 C ATOM 724 CZ PHE A 48 28.272 -6.777 9.286 1.00 0.00 C ATOM 0 H PHE A 48 27.291 -8.888 6.100 1.00 0.00 H new ATOM 0 HA PHE A 48 24.482 -9.399 5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 48 24.131 -7.522 7.082 1.00 0.00 H new ATOM 0 HB3 PHE A 48 24.494 -9.142 7.644 1.00 0.00 H new ATOM 0 HD1 PHE A 48 26.741 -9.682 8.534 1.00 0.00 H new ATOM 0 HD2 PHE A 48 25.704 -5.712 7.384 1.00 0.00 H new ATOM 0 HE1 PHE A 48 28.669 -8.816 9.786 1.00 0.00 H new ATOM 0 HE2 PHE A 48 27.633 -4.845 8.633 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.121 -6.396 9.834 1.00 0.00 H new ATOM 734 N CYS A 49 24.130 -7.240 4.102 1.00 0.00 N ATOM 735 CA CYS A 49 24.007 -6.104 3.196 1.00 0.00 C ATOM 736 C CYS A 49 22.785 -5.260 3.546 1.00 0.00 C ATOM 737 O CYS A 49 21.769 -5.780 4.009 1.00 0.00 O ATOM 738 CB CYS A 49 23.909 -6.587 1.748 1.00 0.00 C ATOM 739 SG CYS A 49 24.986 -8.005 1.363 1.00 0.00 S ATOM 0 H CYS A 49 23.290 -7.814 4.174 1.00 0.00 H new ATOM 0 HA CYS A 49 24.898 -5.486 3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.875 -6.862 1.537 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.162 -5.761 1.083 1.00 0.00 H new ATOM 744 N TYR A 50 22.890 -3.955 3.322 1.00 0.00 N ATOM 745 CA TYR A 50 21.795 -3.037 3.615 1.00 0.00 C ATOM 746 C TYR A 50 21.347 -2.304 2.355 1.00 0.00 C ATOM 747 O TYR A 50 22.169 -1.787 1.598 1.00 0.00 O ATOM 748 CB TYR A 50 22.220 -2.028 4.683 1.00 0.00 C ATOM 749 CG TYR A 50 21.574 -0.670 4.523 1.00 0.00 C ATOM 750 CD1 TYR A 50 20.192 -0.529 4.556 1.00 0.00 C ATOM 751 CD2 TYR A 50 22.345 0.471 4.342 1.00 0.00 C ATOM 752 CE1 TYR A 50 19.597 0.710 4.410 1.00 0.00 C ATOM 753 CE2 TYR A 50 21.759 1.714 4.196 1.00 0.00 C ATOM 754 CZ TYR A 50 20.384 1.828 4.231 1.00 0.00 C ATOM 755 OH TYR A 50 19.796 3.063 4.086 1.00 0.00 O ATOM 0 H TYR A 50 23.723 -3.508 2.938 1.00 0.00 H new ATOM 0 HA TYR A 50 20.955 -3.621 3.991 1.00 0.00 H new ATOM 0 HB2 TYR A 50 21.971 -2.426 5.667 1.00 0.00 H new ATOM 0 HB3 TYR A 50 23.303 -1.912 4.651 1.00 0.00 H new ATOM 0 HD1 TYR A 50 19.572 -1.402 4.698 1.00 0.00 H new ATOM 0 HD2 TYR A 50 23.421 0.385 4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 50 18.521 0.802 4.436 1.00 0.00 H new ATOM 0 HE2 TYR A 50 22.373 2.591 4.055 1.00 0.00 H new ATOM 0 HH TYR A 50 20.491 3.744 3.970 1.00 0.00 H new ATOM 765 N PHE A 51 20.037 -2.262 2.137 1.00 0.00 N ATOM 766 CA PHE A 51 19.477 -1.593 0.969 1.00 0.00 C ATOM 767 C PHE A 51 18.071 -1.076 1.260 1.00 0.00 C ATOM 768 O PHE A 51 17.275 -1.747 1.918 1.00 0.00 O ATOM 769 CB PHE A 51 19.444 -2.548 -0.226 1.00 0.00 C ATOM 770 CG PHE A 51 18.593 -2.058 -1.362 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.051 -1.059 -2.207 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.335 -2.595 -1.585 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.270 -0.606 -3.254 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.551 -2.146 -2.631 1.00 0.00 C ATOM 775 CZ PHE A 51 17.018 -1.149 -3.465 1.00 0.00 C ATOM 0 H PHE A 51 19.343 -2.684 2.754 1.00 0.00 H new ATOM 0 HA PHE A 51 20.115 -0.743 0.728 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.461 -2.703 -0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 51 19.072 -3.518 0.104 1.00 0.00 H new ATOM 0 HD1 PHE A 51 20.029 -0.630 -2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 51 16.963 -3.373 -0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.639 0.172 -3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.574 -2.575 -2.796 1.00 0.00 H new ATOM 0 HZ PHE A 51 16.405 -0.795 -4.281 1.00 0.00 H new ATOM 785 N ASP A 52 17.773 0.120 0.766 1.00 0.00 N ATOM 786 CA ASP A 52 16.463 0.728 0.972 1.00 0.00 C ATOM 787 C ASP A 52 15.463 0.228 -0.065 1.00 0.00 C ATOM 788 O ASP A 52 15.725 0.270 -1.268 1.00 0.00 O ATOM 789 CB ASP A 52 16.568 2.252 0.904 1.00 0.00 C ATOM 790 CG ASP A 52 17.367 2.725 -0.295 1.00 0.00 C ATOM 791 OD1 ASP A 52 16.813 2.727 -1.414 1.00 0.00 O ATOM 792 OD2 ASP A 52 18.547 3.092 -0.114 1.00 0.00 O ATOM 0 H ASP A 52 18.420 0.688 0.220 1.00 0.00 H new ATOM 0 HA ASP A 52 16.108 0.440 1.961 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.567 2.681 0.862 1.00 0.00 H new ATOM 0 HB3 ASP A 52 17.035 2.622 1.817 1.00 0.00 H new ATOM 797 N CYS A 53 14.315 -0.247 0.407 1.00 0.00 N ATOM 798 CA CYS A 53 13.275 -0.757 -0.478 1.00 0.00 C ATOM 799 C CYS A 53 12.062 0.168 -0.481 1.00 0.00 C ATOM 800 O CYS A 53 11.742 0.793 0.530 1.00 0.00 O ATOM 801 CB CYS A 53 12.856 -2.164 -0.049 1.00 0.00 C ATOM 802 SG CYS A 53 13.856 -3.496 -0.787 1.00 0.00 S ATOM 0 H CYS A 53 14.082 -0.289 1.399 1.00 0.00 H new ATOM 0 HA CYS A 53 13.681 -0.798 -1.489 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.920 -2.235 1.037 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.811 -2.318 -0.317 1.00 0.00 H new ATOM 807 N SER A 54 11.390 0.251 -1.625 1.00 0.00 N ATOM 808 CA SER A 54 10.214 1.102 -1.762 1.00 0.00 C ATOM 809 C SER A 54 10.558 2.557 -1.458 1.00 0.00 C ATOM 810 O SER A 54 10.801 3.352 -2.365 1.00 0.00 O ATOM 811 CB SER A 54 9.101 0.623 -0.828 1.00 0.00 C ATOM 812 OG SER A 54 8.625 -0.655 -1.214 1.00 0.00 O ATOM 0 H SER A 54 11.640 -0.261 -2.471 1.00 0.00 H new ATOM 0 HA SER A 54 9.867 1.037 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.474 0.582 0.195 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.279 1.339 -0.839 1.00 0.00 H new ATOM 0 HG SER A 54 7.916 -0.939 -0.600 1.00 0.00 H new ATOM 818 N LYS A 55 10.577 2.898 -0.174 1.00 0.00 N ATOM 819 CA LYS A 55 10.892 4.256 0.253 1.00 0.00 C ATOM 820 C LYS A 55 11.368 4.274 1.702 1.00 0.00 C ATOM 821 O LYS A 55 11.078 5.208 2.449 1.00 0.00 O ATOM 822 CB LYS A 55 9.667 5.159 0.096 1.00 0.00 C ATOM 823 CG LYS A 55 9.898 6.344 -0.825 1.00 0.00 C ATOM 824 CD LYS A 55 9.168 6.174 -2.147 1.00 0.00 C ATOM 825 CE LYS A 55 7.659 6.208 -1.958 1.00 0.00 C ATOM 826 NZ LYS A 55 7.007 7.180 -2.879 1.00 0.00 N ATOM 0 H LYS A 55 10.378 2.252 0.590 1.00 0.00 H new ATOM 0 HA LYS A 55 11.696 4.632 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.837 4.567 -0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.368 5.526 1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.559 7.257 -0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.966 6.459 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.468 6.965 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.457 5.228 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.249 5.213 -2.130 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.428 6.474 -0.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.979 7.174 -2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.380 8.134 -2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.206 6.912 -3.864 1.00 0.00 H new