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 20 LYS NZ :NH3+ -147:sc= 0 (180deg=0) USER MOD Set 1.2: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -21:sc= 0.608 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= -0.572 (180deg=-0.621) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -60:sc= 0.356 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -151:sc= 0.66 USER MOD Single : A 13 TYR OH : rot -110:sc= 0 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= -0.134 X(o=-0.13,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.0818 (180deg=-0.377) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HE2:sc=-0.00348 K(o=-0.0035,f=-0.51) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 155:sc= -0.0054 (180deg=-0.187) 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 7.358 1.246 1.408 1.00 0.00 N ATOM 19 CA SER A 3 8.405 1.983 2.105 1.00 0.00 C ATOM 20 C SER A 3 8.994 1.149 3.239 1.00 0.00 C ATOM 21 O SER A 3 8.400 1.028 4.310 1.00 0.00 O ATOM 22 CB SER A 3 7.850 3.297 2.659 1.00 0.00 C ATOM 23 OG SER A 3 8.347 4.407 1.932 1.00 0.00 O ATOM 0 HA SER A 3 9.197 2.204 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.761 3.285 2.611 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.121 3.396 3.710 1.00 0.00 H new ATOM 0 HG SER A 3 9.172 4.152 1.469 1.00 0.00 H new ATOM 29 N LYS A 4 10.167 0.575 2.994 1.00 0.00 N ATOM 30 CA LYS A 4 10.840 -0.247 3.992 1.00 0.00 C ATOM 31 C LYS A 4 12.304 -0.465 3.621 1.00 0.00 C ATOM 32 O LYS A 4 12.827 0.180 2.712 1.00 0.00 O ATOM 33 CB LYS A 4 10.132 -1.597 4.133 1.00 0.00 C ATOM 34 CG LYS A 4 9.713 -1.919 5.556 1.00 0.00 C ATOM 35 CD LYS A 4 10.321 -3.227 6.035 1.00 0.00 C ATOM 36 CE LYS A 4 9.891 -4.394 5.158 1.00 0.00 C ATOM 37 NZ LYS A 4 9.244 -5.474 5.952 1.00 0.00 N ATOM 0 H LYS A 4 10.671 0.664 2.112 1.00 0.00 H new ATOM 0 HA LYS A 4 10.800 0.279 4.946 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.249 -1.603 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.794 -2.384 3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.020 -1.110 6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.626 -1.980 5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.408 -3.148 6.030 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.019 -3.414 7.066 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.198 -4.039 4.395 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.760 -4.797 4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.965 -6.251 5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.913 -5.830 6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.400 -5.096 6.429 1.00 0.00 H new ATOM 51 N LEU A 5 12.959 -1.378 4.329 1.00 0.00 N ATOM 52 CA LEU A 5 14.363 -1.682 4.073 1.00 0.00 C ATOM 53 C LEU A 5 14.586 -3.188 3.986 1.00 0.00 C ATOM 54 O LEU A 5 13.897 -3.968 4.645 1.00 0.00 O ATOM 55 CB LEU A 5 15.243 -1.087 5.173 1.00 0.00 C ATOM 56 CG LEU A 5 16.159 0.063 4.752 1.00 0.00 C ATOM 57 CD1 LEU A 5 16.160 1.159 5.807 1.00 0.00 C ATOM 58 CD2 LEU A 5 17.572 -0.444 4.504 1.00 0.00 C ATOM 0 H LEU A 5 12.541 -1.921 5.085 1.00 0.00 H new ATOM 0 HA LEU A 5 14.638 -1.237 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.597 -0.734 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 5 15.861 -1.884 5.587 1.00 0.00 H new ATOM 0 HG LEU A 5 15.778 0.484 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.817 1.969 5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.148 1.542 5.934 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.516 0.752 6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.210 0.388 4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 5 17.963 -0.892 5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.556 -1.192 3.711 1.00 0.00 H new ATOM 70 N CYS A 6 15.556 -3.591 3.171 1.00 0.00 N ATOM 71 CA CYS A 6 15.872 -5.004 2.999 1.00 0.00 C ATOM 72 C CYS A 6 17.319 -5.289 3.393 1.00 0.00 C ATOM 73 O CYS A 6 18.210 -4.475 3.151 1.00 0.00 O ATOM 74 CB CYS A 6 15.634 -5.428 1.549 1.00 0.00 C ATOM 75 SG CYS A 6 13.876 -5.518 1.080 1.00 0.00 S ATOM 0 H CYS A 6 16.136 -2.959 2.620 1.00 0.00 H new ATOM 0 HA CYS A 6 15.216 -5.580 3.651 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.140 -4.724 0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.093 -6.403 1.387 1.00 0.00 H new ATOM 80 N GLU A 7 17.544 -6.450 4.001 1.00 0.00 N ATOM 81 CA GLU A 7 18.882 -6.841 4.428 1.00 0.00 C ATOM 82 C GLU A 7 19.202 -8.263 3.978 1.00 0.00 C ATOM 83 O GLU A 7 18.361 -9.158 4.062 1.00 0.00 O ATOM 84 CB GLU A 7 19.006 -6.736 5.950 1.00 0.00 C ATOM 85 CG GLU A 7 18.333 -7.876 6.695 1.00 0.00 C ATOM 86 CD GLU A 7 16.839 -7.934 6.447 1.00 0.00 C ATOM 87 OE1 GLU A 7 16.209 -6.859 6.366 1.00 0.00 O ATOM 88 OE2 GLU A 7 16.298 -9.054 6.334 1.00 0.00 O ATOM 0 H GLU A 7 16.818 -7.135 4.209 1.00 0.00 H new ATOM 0 HA GLU A 7 19.597 -6.162 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.062 -6.710 6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.571 -5.792 6.277 1.00 0.00 H new ATOM 0 HG2 GLU A 7 18.785 -8.820 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.516 -7.765 7.764 1.00 0.00 H new ATOM 95 N LYS A 8 20.425 -8.464 3.498 1.00 0.00 N ATOM 96 CA LYS A 8 20.860 -9.776 3.034 1.00 0.00 C ATOM 97 C LYS A 8 21.938 -10.347 3.950 1.00 0.00 C ATOM 98 O LYS A 8 22.892 -9.657 4.310 1.00 0.00 O ATOM 99 CB LYS A 8 21.390 -9.684 1.601 1.00 0.00 C ATOM 100 CG LYS A 8 22.060 -10.958 1.117 1.00 0.00 C ATOM 101 CD LYS A 8 23.526 -10.727 0.791 1.00 0.00 C ATOM 102 CE LYS A 8 24.054 -11.777 -0.174 1.00 0.00 C ATOM 103 NZ LYS A 8 25.295 -11.324 -0.862 1.00 0.00 N ATOM 0 H LYS A 8 21.133 -7.734 3.420 1.00 0.00 H new ATOM 0 HA LYS A 8 19.999 -10.444 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.564 -9.441 0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.103 -8.862 1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.974 -11.729 1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.543 -11.328 0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.651 -9.736 0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.112 -10.748 1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.256 -12.700 0.369 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.289 -12.005 -0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 25.680 -12.103 -1.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 25.074 -10.518 -1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 25.999 -11.034 -0.153 1.00 0.00 H new ATOM 117 N THR A 9 21.780 -11.614 4.324 1.00 0.00 N ATOM 118 CA THR A 9 22.740 -12.278 5.197 1.00 0.00 C ATOM 119 C THR A 9 23.546 -13.323 4.434 1.00 0.00 C ATOM 120 O THR A 9 23.487 -14.513 4.743 1.00 0.00 O ATOM 121 CB THR A 9 22.039 -12.956 6.389 1.00 0.00 C ATOM 122 OG1 THR A 9 20.895 -12.191 6.785 1.00 0.00 O ATOM 123 CG2 THR A 9 22.991 -13.100 7.567 1.00 0.00 C ATOM 0 H THR A 9 20.996 -12.200 4.036 1.00 0.00 H new ATOM 0 HA THR A 9 23.413 -11.507 5.572 1.00 0.00 H new ATOM 0 HB THR A 9 21.720 -13.950 6.076 1.00 0.00 H new ATOM 0 HG1 THR A 9 20.454 -12.630 7.542 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.473 -13.581 8.397 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.846 -13.708 7.271 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.337 -12.114 7.878 1.00 0.00 H new ATOM 131 N SER A 10 24.300 -12.870 3.437 1.00 0.00 N ATOM 132 CA SER A 10 25.116 -13.767 2.628 1.00 0.00 C ATOM 133 C SER A 10 24.272 -14.903 2.057 1.00 0.00 C ATOM 134 O SER A 10 24.708 -16.053 2.009 1.00 0.00 O ATOM 135 CB SER A 10 26.263 -14.339 3.463 1.00 0.00 C ATOM 136 OG SER A 10 26.982 -15.321 2.737 1.00 0.00 O ATOM 0 H SER A 10 24.362 -11.887 3.171 1.00 0.00 H new ATOM 0 HA SER A 10 25.530 -13.193 1.799 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.937 -13.535 3.759 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.867 -14.777 4.379 1.00 0.00 H new ATOM 0 HG SER A 10 26.378 -16.051 2.487 1.00 0.00 H new ATOM 142 N LYS A 11 23.061 -14.571 1.625 1.00 0.00 N ATOM 143 CA LYS A 11 22.154 -15.561 1.055 1.00 0.00 C ATOM 144 C LYS A 11 22.718 -16.133 -0.242 1.00 0.00 C ATOM 145 O LYS A 11 22.398 -17.258 -0.627 1.00 0.00 O ATOM 146 CB LYS A 11 20.782 -14.935 0.794 1.00 0.00 C ATOM 147 CG LYS A 11 20.316 -14.007 1.903 1.00 0.00 C ATOM 148 CD LYS A 11 18.864 -14.261 2.270 1.00 0.00 C ATOM 149 CE LYS A 11 17.937 -13.253 1.608 1.00 0.00 C ATOM 150 NZ LYS A 11 16.837 -13.920 0.857 1.00 0.00 N ATOM 0 H LYS A 11 22.684 -13.624 1.658 1.00 0.00 H new ATOM 0 HA LYS A 11 22.046 -16.374 1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.818 -14.379 -0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 11 20.048 -15.730 0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 11 20.944 -14.146 2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 11 20.436 -12.971 1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.582 -15.269 1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.747 -14.209 3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 11 17.512 -12.597 2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 11 18.511 -12.624 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.228 -13.199 0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.241 -14.527 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.273 -14.501 1.510 1.00 0.00 H new ATOM 164 N THR A 12 23.560 -15.352 -0.911 1.00 0.00 N ATOM 165 CA THR A 12 24.169 -15.781 -2.164 1.00 0.00 C ATOM 166 C THR A 12 25.677 -15.556 -2.148 1.00 0.00 C ATOM 167 O THR A 12 26.362 -15.808 -3.139 1.00 0.00 O ATOM 168 CB THR A 12 23.563 -15.036 -3.367 1.00 0.00 C ATOM 169 OG1 THR A 12 24.085 -13.704 -3.432 1.00 0.00 O ATOM 170 CG2 THR A 12 22.046 -14.986 -3.265 1.00 0.00 C ATOM 0 H THR A 12 23.836 -14.419 -0.606 1.00 0.00 H new ATOM 0 HA THR A 12 23.965 -16.847 -2.266 1.00 0.00 H new ATOM 0 HB THR A 12 23.833 -15.577 -4.274 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.425 -13.114 -3.853 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.641 -14.455 -4.126 1.00 0.00 H new ATOM 0 HG22 THR A 12 21.649 -16.001 -3.245 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.760 -14.466 -2.351 1.00 0.00 H new ATOM 178 N TYR A 13 26.187 -15.082 -1.017 1.00 0.00 N ATOM 179 CA TYR A 13 27.615 -14.822 -0.873 1.00 0.00 C ATOM 180 C TYR A 13 28.342 -16.052 -0.337 1.00 0.00 C ATOM 181 O TYR A 13 29.548 -16.017 -0.095 1.00 0.00 O ATOM 182 CB TYR A 13 27.846 -13.633 0.061 1.00 0.00 C ATOM 183 CG TYR A 13 29.238 -13.050 -0.034 1.00 0.00 C ATOM 184 CD1 TYR A 13 29.721 -12.546 -1.235 1.00 0.00 C ATOM 185 CD2 TYR A 13 30.069 -13.003 1.078 1.00 0.00 C ATOM 186 CE1 TYR A 13 30.993 -12.013 -1.326 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.342 -12.471 0.997 1.00 0.00 C ATOM 188 CZ TYR A 13 31.799 -11.978 -0.208 1.00 0.00 C ATOM 189 OH TYR A 13 33.066 -11.447 -0.294 1.00 0.00 O ATOM 0 H TYR A 13 25.634 -14.870 -0.187 1.00 0.00 H new ATOM 0 HA TYR A 13 28.016 -14.586 -1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.119 -12.854 -0.169 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.662 -13.948 1.088 1.00 0.00 H new ATOM 0 HD1 TYR A 13 29.092 -12.571 -2.113 1.00 0.00 H new ATOM 0 HD2 TYR A 13 29.714 -13.389 2.022 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.354 -11.626 -2.268 1.00 0.00 H new ATOM 0 HE2 TYR A 13 31.975 -12.441 1.871 1.00 0.00 H new ATOM 0 HH TYR A 13 33.728 -12.165 -0.209 1.00 0.00 H new ATOM 199 N SER A 14 27.598 -17.139 -0.156 1.00 0.00 N ATOM 200 CA SER A 14 28.169 -18.380 0.353 1.00 0.00 C ATOM 201 C SER A 14 29.498 -18.687 -0.330 1.00 0.00 C ATOM 202 O SER A 14 29.534 -19.081 -1.495 1.00 0.00 O ATOM 203 CB SER A 14 27.194 -19.539 0.142 1.00 0.00 C ATOM 204 OG SER A 14 26.619 -19.952 1.369 1.00 0.00 O ATOM 0 H SER A 14 26.599 -17.185 -0.354 1.00 0.00 H new ATOM 0 HA SER A 14 28.350 -18.257 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 14 26.407 -19.235 -0.548 1.00 0.00 H new ATOM 0 HB3 SER A 14 27.716 -20.378 -0.319 1.00 0.00 H new ATOM 0 HG SER A 14 25.998 -20.693 1.206 1.00 0.00 H new ATOM 210 N GLY A 15 30.591 -18.503 0.405 1.00 0.00 N ATOM 211 CA GLY A 15 31.908 -18.764 -0.146 1.00 0.00 C ATOM 212 C GLY A 15 32.879 -17.629 0.111 1.00 0.00 C ATOM 213 O GLY A 15 32.572 -16.467 -0.156 1.00 0.00 O ATOM 0 H GLY A 15 30.588 -18.178 1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 15 32.304 -19.682 0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 15 31.823 -18.929 -1.220 1.00 0.00 H new ATOM 217 N LYS A 16 34.055 -17.964 0.631 1.00 0.00 N ATOM 218 CA LYS A 16 35.075 -16.965 0.924 1.00 0.00 C ATOM 219 C LYS A 16 34.466 -15.754 1.623 1.00 0.00 C ATOM 220 O LYS A 16 33.341 -15.812 2.121 1.00 0.00 O ATOM 221 CB LYS A 16 35.774 -16.526 -0.364 1.00 0.00 C ATOM 222 CG LYS A 16 34.915 -15.638 -1.249 1.00 0.00 C ATOM 223 CD LYS A 16 35.750 -14.921 -2.297 1.00 0.00 C ATOM 224 CE LYS A 16 35.487 -15.469 -3.691 1.00 0.00 C ATOM 225 NZ LYS A 16 36.441 -14.920 -4.693 1.00 0.00 N ATOM 0 H LYS A 16 34.325 -18.921 0.858 1.00 0.00 H new ATOM 0 HA LYS A 16 35.809 -17.417 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 16 36.689 -15.993 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 16 36.068 -17.411 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 16 34.152 -16.242 -1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 16 34.394 -14.905 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 16 35.525 -13.855 -2.276 1.00 0.00 H new ATOM 0 HD3 LYS A 16 36.808 -15.028 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 16 35.564 -16.556 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 16 34.467 -15.226 -3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 36.228 -15.318 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 36.350 -13.885 -4.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 37.413 -15.173 -4.422 1.00 0.00 H new ATOM 239 N CYS A 17 35.214 -14.656 1.655 1.00 0.00 N ATOM 240 CA CYS A 17 34.748 -13.430 2.291 1.00 0.00 C ATOM 241 C CYS A 17 35.766 -12.307 2.120 1.00 0.00 C ATOM 242 O CYS A 17 36.974 -12.544 2.128 1.00 0.00 O ATOM 243 CB CYS A 17 34.483 -13.671 3.779 1.00 0.00 C ATOM 244 SG CYS A 17 32.961 -12.888 4.400 1.00 0.00 S ATOM 0 H CYS A 17 36.147 -14.591 1.247 1.00 0.00 H new ATOM 0 HA CYS A 17 33.818 -13.130 1.807 1.00 0.00 H new ATOM 0 HB2 CYS A 17 34.425 -14.745 3.957 1.00 0.00 H new ATOM 0 HB3 CYS A 17 35.331 -13.298 4.353 1.00 0.00 H new ATOM 249 N ASP A 18 35.270 -11.084 1.965 1.00 0.00 N ATOM 250 CA ASP A 18 36.135 -9.924 1.793 1.00 0.00 C ATOM 251 C ASP A 18 35.368 -8.630 2.048 1.00 0.00 C ATOM 252 O ASP A 18 34.246 -8.652 2.553 1.00 0.00 O ATOM 253 CB ASP A 18 36.730 -9.909 0.384 1.00 0.00 C ATOM 254 CG ASP A 18 38.221 -9.632 0.387 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.617 -8.518 0.791 1.00 0.00 O ATOM 256 OD2 ASP A 18 38.991 -10.529 -0.013 1.00 0.00 O ATOM 0 H ASP A 18 34.273 -10.871 1.955 1.00 0.00 H new ATOM 0 HA ASP A 18 36.944 -9.995 2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.543 -10.869 -0.096 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.224 -9.150 -0.213 1.00 0.00 H new ATOM 261 N ASN A 19 35.981 -7.505 1.696 1.00 0.00 N ATOM 262 CA ASN A 19 35.356 -6.201 1.889 1.00 0.00 C ATOM 263 C ASN A 19 34.612 -5.763 0.630 1.00 0.00 C ATOM 264 O ASN A 19 33.382 -5.730 0.602 1.00 0.00 O ATOM 265 CB ASN A 19 36.410 -5.157 2.262 1.00 0.00 C ATOM 266 CG ASN A 19 37.176 -5.531 3.516 1.00 0.00 C ATOM 267 OD1 ASN A 19 38.407 -5.536 3.526 1.00 0.00 O ATOM 268 ND2 ASN A 19 36.448 -5.848 4.581 1.00 0.00 N ATOM 0 H ASN A 19 36.910 -7.470 1.276 1.00 0.00 H new ATOM 0 HA ASN A 19 34.637 -6.287 2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 19 37.109 -5.039 1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 19 35.925 -4.192 2.410 1.00 0.00 H new ATOM 0 HD21 ASN A 19 36.907 -6.109 5.453 1.00 0.00 H new ATOM 0 HD22 ASN A 19 35.430 -5.830 4.526 1.00 0.00 H new ATOM 275 N LYS A 20 35.368 -5.428 -0.410 1.00 0.00 N ATOM 276 CA LYS A 20 34.783 -4.994 -1.673 1.00 0.00 C ATOM 277 C LYS A 20 33.993 -6.124 -2.324 1.00 0.00 C ATOM 278 O LYS A 20 32.977 -5.889 -2.979 1.00 0.00 O ATOM 279 CB LYS A 20 35.878 -4.507 -2.625 1.00 0.00 C ATOM 280 CG LYS A 20 35.405 -3.447 -3.605 1.00 0.00 C ATOM 281 CD LYS A 20 35.307 -3.997 -5.018 1.00 0.00 C ATOM 282 CE LYS A 20 36.446 -3.495 -5.892 1.00 0.00 C ATOM 283 NZ LYS A 20 37.693 -4.281 -5.683 1.00 0.00 N ATOM 0 H LYS A 20 36.388 -5.449 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 20 34.099 -4.171 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 20 36.705 -4.105 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.267 -5.358 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 20 34.431 -3.070 -3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 20 36.094 -2.603 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 20 35.323 -5.086 -4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 20 34.353 -3.705 -5.458 1.00 0.00 H new ATOM 0 HE2 LYS A 20 36.152 -3.552 -6.940 1.00 0.00 H new ATOM 0 HE3 LYS A 20 36.637 -2.445 -5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 38.519 -3.660 -5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 37.696 -4.679 -4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 37.737 -5.054 -6.378 1.00 0.00 H new ATOM 297 N LYS A 21 34.465 -7.352 -2.139 1.00 0.00 N ATOM 298 CA LYS A 21 33.802 -8.521 -2.706 1.00 0.00 C ATOM 299 C LYS A 21 32.419 -8.713 -2.091 1.00 0.00 C ATOM 300 O LYS A 21 31.451 -9.005 -2.794 1.00 0.00 O ATOM 301 CB LYS A 21 34.651 -9.774 -2.481 1.00 0.00 C ATOM 302 CG LYS A 21 35.966 -9.762 -3.242 1.00 0.00 C ATOM 303 CD LYS A 21 35.744 -9.593 -4.735 1.00 0.00 C ATOM 304 CE LYS A 21 35.885 -8.138 -5.158 1.00 0.00 C ATOM 305 NZ LYS A 21 37.009 -7.946 -6.116 1.00 0.00 N ATOM 0 H LYS A 21 35.305 -7.564 -1.600 1.00 0.00 H new ATOM 0 HA LYS A 21 33.685 -8.358 -3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 21 34.858 -9.876 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.076 -10.651 -2.779 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.594 -8.951 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.504 -10.692 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 21 36.462 -10.203 -5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 21 34.751 -9.955 -5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 21 34.955 -7.801 -5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 21 36.049 -7.518 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 37.072 -6.942 -6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 37.900 -8.244 -5.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 36.841 -8.518 -6.968 1.00 0.00 H new ATOM 319 N CYS A 22 32.334 -8.547 -0.775 1.00 0.00 N ATOM 320 CA CYS A 22 31.070 -8.702 -0.065 1.00 0.00 C ATOM 321 C CYS A 22 30.065 -7.641 -0.506 1.00 0.00 C ATOM 322 O CYS A 22 28.895 -7.941 -0.746 1.00 0.00 O ATOM 323 CB CYS A 22 31.295 -8.610 1.445 1.00 0.00 C ATOM 324 SG CYS A 22 29.773 -8.765 2.435 1.00 0.00 S ATOM 0 H CYS A 22 33.126 -8.305 -0.179 1.00 0.00 H new ATOM 0 HA CYS A 22 30.664 -9.685 -0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 22 31.992 -9.392 1.746 1.00 0.00 H new ATOM 0 HB3 CYS A 22 31.769 -7.655 1.673 1.00 0.00 H new ATOM 329 N ASP A 23 30.530 -6.401 -0.610 1.00 0.00 N ATOM 330 CA ASP A 23 29.673 -5.295 -1.023 1.00 0.00 C ATOM 331 C ASP A 23 29.292 -5.424 -2.495 1.00 0.00 C ATOM 332 O ASP A 23 28.114 -5.384 -2.848 1.00 0.00 O ATOM 333 CB ASP A 23 30.376 -3.959 -0.780 1.00 0.00 C ATOM 334 CG ASP A 23 29.422 -2.783 -0.845 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.282 -2.917 -0.354 1.00 0.00 O ATOM 336 OD2 ASP A 23 29.815 -1.728 -1.387 1.00 0.00 O ATOM 0 H ASP A 23 31.495 -6.136 -0.414 1.00 0.00 H new ATOM 0 HA ASP A 23 28.762 -5.330 -0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 23 30.859 -3.978 0.197 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.163 -3.826 -1.522 1.00 0.00 H new ATOM 341 N LYS A 24 30.298 -5.576 -3.350 1.00 0.00 N ATOM 342 CA LYS A 24 30.070 -5.710 -4.784 1.00 0.00 C ATOM 343 C LYS A 24 29.120 -6.867 -5.078 1.00 0.00 C ATOM 344 O LYS A 24 28.149 -6.714 -5.819 1.00 0.00 O ATOM 345 CB LYS A 24 31.397 -5.928 -5.514 1.00 0.00 C ATOM 346 CG LYS A 24 31.233 -6.273 -6.984 1.00 0.00 C ATOM 347 CD LYS A 24 32.578 -6.476 -7.662 1.00 0.00 C ATOM 348 CE LYS A 24 32.518 -7.590 -8.696 1.00 0.00 C ATOM 349 NZ LYS A 24 33.866 -7.916 -9.239 1.00 0.00 N ATOM 0 H LYS A 24 31.279 -5.609 -3.074 1.00 0.00 H new ATOM 0 HA LYS A 24 29.613 -4.787 -5.142 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.003 -5.026 -5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.946 -6.730 -5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.635 -7.179 -7.082 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.687 -5.475 -7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.888 -5.548 -8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.332 -6.714 -6.912 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.083 -8.482 -8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.860 -7.293 -9.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.782 -8.680 -9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 34.271 -7.072 -9.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.487 -8.224 -8.464 1.00 0.00 H new ATOM 363 N LYS A 25 29.406 -8.025 -4.491 1.00 0.00 N ATOM 364 CA LYS A 25 28.576 -9.207 -4.687 1.00 0.00 C ATOM 365 C LYS A 25 27.157 -8.966 -4.183 1.00 0.00 C ATOM 366 O LYS A 25 26.216 -9.644 -4.598 1.00 0.00 O ATOM 367 CB LYS A 25 29.188 -10.410 -3.965 1.00 0.00 C ATOM 368 CG LYS A 25 28.672 -11.748 -4.467 1.00 0.00 C ATOM 369 CD LYS A 25 29.798 -12.754 -4.630 1.00 0.00 C ATOM 370 CE LYS A 25 29.361 -14.152 -4.219 1.00 0.00 C ATOM 371 NZ LYS A 25 29.688 -15.164 -5.261 1.00 0.00 N ATOM 0 H LYS A 25 30.207 -8.169 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 25 28.532 -9.416 -5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 25 30.271 -10.381 -4.082 1.00 0.00 H new ATOM 0 HB3 LYS A 25 28.980 -10.327 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 25 27.932 -12.139 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 25 28.166 -11.609 -5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 25 30.129 -12.766 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 25 30.652 -12.447 -4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 25 29.848 -14.424 -3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 25 28.287 -14.157 -4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 29.374 -16.103 -4.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 29.203 -14.919 -6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 30.716 -15.178 -5.421 1.00 0.00 H new ATOM 385 N CYS A 26 27.009 -7.996 -3.287 1.00 0.00 N ATOM 386 CA CYS A 26 25.705 -7.664 -2.727 1.00 0.00 C ATOM 387 C CYS A 26 24.908 -6.784 -3.686 1.00 0.00 C ATOM 388 O CYS A 26 23.735 -7.044 -3.954 1.00 0.00 O ATOM 389 CB CYS A 26 25.870 -6.953 -1.382 1.00 0.00 C ATOM 390 SG CYS A 26 25.913 -8.075 0.052 1.00 0.00 S ATOM 0 H CYS A 26 27.777 -7.426 -2.933 1.00 0.00 H new ATOM 0 HA CYS A 26 25.156 -8.593 -2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.791 -6.371 -1.402 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.049 -6.247 -1.253 1.00 0.00 H new ATOM 395 N ILE A 27 25.555 -5.742 -4.199 1.00 0.00 N ATOM 396 CA ILE A 27 24.908 -4.825 -5.129 1.00 0.00 C ATOM 397 C ILE A 27 24.849 -5.416 -6.533 1.00 0.00 C ATOM 398 O ILE A 27 24.088 -4.952 -7.381 1.00 0.00 O ATOM 399 CB ILE A 27 25.640 -3.471 -5.184 1.00 0.00 C ATOM 400 CG1 ILE A 27 25.914 -2.956 -3.770 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.823 -2.459 -5.973 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.384 -2.750 -3.476 1.00 0.00 C ATOM 0 H ILE A 27 26.526 -5.512 -3.986 1.00 0.00 H new ATOM 0 HA ILE A 27 23.894 -4.666 -4.762 1.00 0.00 H new ATOM 0 HB ILE A 27 26.595 -3.612 -5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.388 -2.012 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.503 -3.662 -3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.353 -1.507 -6.003 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.675 -2.824 -6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 27 23.854 -2.320 -5.493 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.503 -2.384 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.913 -3.697 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.796 -2.021 -4.174 1.00 0.00 H new ATOM 414 N GLU A 28 25.657 -6.445 -6.770 1.00 0.00 N ATOM 415 CA GLU A 28 25.695 -7.101 -8.072 1.00 0.00 C ATOM 416 C GLU A 28 24.586 -8.142 -8.190 1.00 0.00 C ATOM 417 O GLU A 28 23.922 -8.243 -9.222 1.00 0.00 O ATOM 418 CB GLU A 28 27.057 -7.763 -8.295 1.00 0.00 C ATOM 419 CG GLU A 28 28.133 -6.799 -8.763 1.00 0.00 C ATOM 420 CD GLU A 28 28.521 -7.016 -10.213 1.00 0.00 C ATOM 421 OE1 GLU A 28 27.615 -7.043 -11.072 1.00 0.00 O ATOM 422 OE2 GLU A 28 29.731 -7.160 -10.488 1.00 0.00 O ATOM 0 H GLU A 28 26.293 -6.842 -6.078 1.00 0.00 H new ATOM 0 HA GLU A 28 25.539 -6.341 -8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.380 -8.232 -7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 28 26.948 -8.559 -9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.780 -5.776 -8.635 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.016 -6.913 -8.134 1.00 0.00 H new ATOM 429 N TRP A 29 24.392 -8.914 -7.127 1.00 0.00 N ATOM 430 CA TRP A 29 23.364 -9.949 -7.111 1.00 0.00 C ATOM 431 C TRP A 29 22.155 -9.501 -6.298 1.00 0.00 C ATOM 432 O TRP A 29 21.021 -9.563 -6.771 1.00 0.00 O ATOM 433 CB TRP A 29 23.929 -11.249 -6.536 1.00 0.00 C ATOM 434 CG TRP A 29 24.724 -12.041 -7.529 1.00 0.00 C ATOM 435 CD1 TRP A 29 25.579 -11.550 -8.474 1.00 0.00 C ATOM 436 CD2 TRP A 29 24.736 -13.465 -7.676 1.00 0.00 C ATOM 437 NE1 TRP A 29 26.122 -12.583 -9.199 1.00 0.00 N ATOM 438 CE2 TRP A 29 25.622 -13.768 -8.729 1.00 0.00 C ATOM 439 CE3 TRP A 29 24.087 -14.514 -7.019 1.00 0.00 C ATOM 440 CZ2 TRP A 29 25.872 -15.075 -9.138 1.00 0.00 C ATOM 441 CZ3 TRP A 29 24.336 -15.811 -7.427 1.00 0.00 C ATOM 442 CH2 TRP A 29 25.222 -16.082 -8.478 1.00 0.00 C ATOM 0 H TRP A 29 24.933 -8.843 -6.265 1.00 0.00 H new ATOM 0 HA TRP A 29 23.043 -10.124 -8.138 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.561 -11.015 -5.679 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.107 -11.862 -6.167 1.00 0.00 H new ATOM 0 HD1 TRP A 29 25.796 -10.503 -8.629 1.00 0.00 H new ATOM 0 HE1 TRP A 29 26.790 -12.483 -9.964 1.00 0.00 H new ATOM 0 HE3 TRP A 29 23.403 -14.315 -6.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 26.555 -15.287 -9.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 23.839 -16.629 -6.927 1.00 0.00 H new ATOM 0 HH2 TRP A 29 25.395 -17.106 -8.773 1.00 0.00 H new ATOM 453 N GLU A 30 22.405 -9.051 -5.072 1.00 0.00 N ATOM 454 CA GLU A 30 21.334 -8.594 -4.194 1.00 0.00 C ATOM 455 C GLU A 30 21.005 -7.127 -4.456 1.00 0.00 C ATOM 456 O GLU A 30 20.109 -6.559 -3.830 1.00 0.00 O ATOM 457 CB GLU A 30 21.730 -8.785 -2.728 1.00 0.00 C ATOM 458 CG GLU A 30 21.604 -10.221 -2.246 1.00 0.00 C ATOM 459 CD GLU A 30 21.994 -11.229 -3.309 1.00 0.00 C ATOM 460 OE1 GLU A 30 23.188 -11.278 -3.672 1.00 0.00 O ATOM 461 OE2 GLU A 30 21.105 -11.971 -3.777 1.00 0.00 O ATOM 0 H GLU A 30 23.338 -8.993 -4.665 1.00 0.00 H new ATOM 0 HA GLU A 30 20.447 -9.191 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.760 -8.454 -2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.105 -8.145 -2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 30 22.234 -10.362 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 30 20.576 -10.407 -1.934 1.00 0.00 H new ATOM 468 N LYS A 31 21.736 -6.519 -5.384 1.00 0.00 N ATOM 469 CA LYS A 31 21.522 -5.119 -5.731 1.00 0.00 C ATOM 470 C LYS A 31 21.318 -4.273 -4.478 1.00 0.00 C ATOM 471 O LYS A 31 20.512 -3.344 -4.470 1.00 0.00 O ATOM 472 CB LYS A 31 20.311 -4.980 -6.656 1.00 0.00 C ATOM 473 CG LYS A 31 20.262 -6.028 -7.755 1.00 0.00 C ATOM 474 CD LYS A 31 21.567 -6.083 -8.531 1.00 0.00 C ATOM 475 CE LYS A 31 21.870 -4.754 -9.207 1.00 0.00 C ATOM 476 NZ LYS A 31 20.715 -4.264 -10.009 1.00 0.00 N ATOM 0 H LYS A 31 22.482 -6.974 -5.910 1.00 0.00 H new ATOM 0 HA LYS A 31 22.411 -4.760 -6.250 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.400 -5.047 -6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.323 -3.989 -7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.056 -7.005 -7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.441 -5.804 -8.437 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.382 -6.343 -7.856 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.512 -6.870 -9.283 1.00 0.00 H new ATOM 0 HE2 LYS A 31 22.128 -4.012 -8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.740 -4.866 -9.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 21.021 -3.473 -10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 20.355 -5.035 -10.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.961 -3.941 -9.370 1.00 0.00 H new ATOM 490 N ALA A 32 22.055 -4.601 -3.422 1.00 0.00 N ATOM 491 CA ALA A 32 21.956 -3.869 -2.165 1.00 0.00 C ATOM 492 C ALA A 32 22.663 -2.521 -2.258 1.00 0.00 C ATOM 493 O ALA A 32 23.035 -2.080 -3.345 1.00 0.00 O ATOM 494 CB ALA A 32 22.538 -4.694 -1.027 1.00 0.00 C ATOM 0 H ALA A 32 22.727 -5.368 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 32 20.901 -3.684 -1.963 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.458 -4.135 -0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.987 -5.630 -0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.587 -4.908 -1.232 1.00 0.00 H new ATOM 500 N GLN A 33 22.845 -1.873 -1.112 1.00 0.00 N ATOM 501 CA GLN A 33 23.506 -0.574 -1.067 1.00 0.00 C ATOM 502 C GLN A 33 24.863 -0.678 -0.380 1.00 0.00 C ATOM 503 O GLN A 33 25.855 -0.122 -0.853 1.00 0.00 O ATOM 504 CB GLN A 33 22.628 0.444 -0.336 1.00 0.00 C ATOM 505 CG GLN A 33 22.251 1.645 -1.187 1.00 0.00 C ATOM 506 CD GLN A 33 22.787 2.948 -0.629 1.00 0.00 C ATOM 507 OE1 GLN A 33 23.994 3.191 -0.638 1.00 0.00 O ATOM 508 NE2 GLN A 33 21.890 3.795 -0.137 1.00 0.00 N ATOM 0 H GLN A 33 22.544 -2.226 -0.203 1.00 0.00 H new ATOM 0 HA GLN A 33 23.662 -0.238 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.718 -0.051 0.003 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.153 0.791 0.554 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.633 1.503 -2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.165 1.706 -1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 33 20.899 3.553 -0.150 1.00 0.00 H new ATOM 0 HE22 GLN A 33 22.192 4.688 0.254 1.00 0.00 H new ATOM 517 N HIS A 34 24.901 -1.394 0.740 1.00 0.00 N ATOM 518 CA HIS A 34 26.138 -1.571 1.492 1.00 0.00 C ATOM 519 C HIS A 34 26.210 -2.970 2.098 1.00 0.00 C ATOM 520 O HIS A 34 25.197 -3.527 2.519 1.00 0.00 O ATOM 521 CB HIS A 34 26.244 -0.519 2.596 1.00 0.00 C ATOM 522 CG HIS A 34 27.573 0.170 2.642 1.00 0.00 C ATOM 523 ND1 HIS A 34 28.754 -0.491 2.907 1.00 0.00 N ATOM 524 CD2 HIS A 34 27.904 1.469 2.454 1.00 0.00 C ATOM 525 CE1 HIS A 34 29.754 0.372 2.881 1.00 0.00 C ATOM 526 NE2 HIS A 34 29.265 1.569 2.607 1.00 0.00 N ATOM 0 H HIS A 34 24.090 -1.860 1.146 1.00 0.00 H new ATOM 0 HA HIS A 34 26.973 -1.449 0.803 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.462 0.227 2.452 1.00 0.00 H new ATOM 0 HB3 HIS A 34 26.057 -0.995 3.559 1.00 0.00 H new ATOM 0 HD2 HIS A 34 27.224 2.277 2.226 1.00 0.00 H new ATOM 0 HE1 HIS A 34 30.794 0.139 3.054 1.00 0.00 H new ATOM 0 HE2 HIS A 34 29.810 2.427 2.523 1.00 0.00 H new ATOM 534 N GLY A 35 27.414 -3.531 2.138 1.00 0.00 N ATOM 535 CA GLY A 35 27.595 -4.860 2.693 1.00 0.00 C ATOM 536 C GLY A 35 28.855 -4.973 3.529 1.00 0.00 C ATOM 537 O GLY A 35 29.797 -4.201 3.351 1.00 0.00 O ATOM 0 H GLY A 35 28.268 -3.089 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.731 -5.115 3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.635 -5.587 1.882 1.00 0.00 H new ATOM 541 N ALA A 36 28.871 -5.936 4.444 1.00 0.00 N ATOM 542 CA ALA A 36 30.024 -6.147 5.311 1.00 0.00 C ATOM 543 C ALA A 36 30.186 -7.622 5.659 1.00 0.00 C ATOM 544 O ALA A 36 29.247 -8.408 5.531 1.00 0.00 O ATOM 545 CB ALA A 36 29.892 -5.315 6.578 1.00 0.00 C ATOM 0 H ALA A 36 28.099 -6.583 4.604 1.00 0.00 H new ATOM 0 HA ALA A 36 30.916 -5.828 4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.760 -5.483 7.216 1.00 0.00 H new ATOM 0 HB2 ALA A 36 29.834 -4.259 6.315 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.988 -5.607 7.112 1.00 0.00 H new ATOM 551 N CYS A 37 31.384 -7.994 6.099 1.00 0.00 N ATOM 552 CA CYS A 37 31.670 -9.375 6.465 1.00 0.00 C ATOM 553 C CYS A 37 32.116 -9.471 7.922 1.00 0.00 C ATOM 554 O CYS A 37 32.749 -8.556 8.450 1.00 0.00 O ATOM 555 CB CYS A 37 32.752 -9.954 5.551 1.00 0.00 C ATOM 556 SG CYS A 37 33.134 -11.706 5.867 1.00 0.00 S ATOM 0 H CYS A 37 32.173 -7.357 6.210 1.00 0.00 H new ATOM 0 HA CYS A 37 30.754 -9.953 6.344 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.434 -9.844 4.514 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.663 -9.368 5.668 1.00 0.00 H new ATOM 561 N HIS A 38 31.781 -10.585 8.565 1.00 0.00 N ATOM 562 CA HIS A 38 32.147 -10.801 9.961 1.00 0.00 C ATOM 563 C HIS A 38 32.345 -12.287 10.246 1.00 0.00 C ATOM 564 O HIS A 38 31.608 -13.131 9.737 1.00 0.00 O ATOM 565 CB HIS A 38 31.072 -10.231 10.886 1.00 0.00 C ATOM 566 CG HIS A 38 31.410 -10.347 12.340 1.00 0.00 C ATOM 567 ND1 HIS A 38 32.542 -9.790 12.897 1.00 0.00 N ATOM 568 CD2 HIS A 38 30.757 -10.961 13.355 1.00 0.00 C ATOM 569 CE1 HIS A 38 32.571 -10.057 14.190 1.00 0.00 C ATOM 570 NE2 HIS A 38 31.499 -10.766 14.494 1.00 0.00 N ATOM 0 H HIS A 38 31.257 -11.352 8.143 1.00 0.00 H new ATOM 0 HA HIS A 38 33.088 -10.284 10.149 1.00 0.00 H new ATOM 0 HB2 HIS A 38 30.913 -9.181 10.641 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.131 -10.748 10.698 1.00 0.00 H new ATOM 0 HD1 HIS A 38 33.247 -9.255 12.389 1.00 0.00 H new ATOM 0 HD2 HIS A 38 29.826 -11.503 13.282 1.00 0.00 H new ATOM 0 HE1 HIS A 38 33.341 -9.748 14.882 1.00 0.00 H new ATOM 578 N LYS A 39 33.345 -12.599 11.064 1.00 0.00 N ATOM 579 CA LYS A 39 33.640 -13.982 11.418 1.00 0.00 C ATOM 580 C LYS A 39 32.996 -14.352 12.751 1.00 0.00 C ATOM 581 O LYS A 39 33.131 -13.628 13.738 1.00 0.00 O ATOM 582 CB LYS A 39 35.154 -14.198 11.494 1.00 0.00 C ATOM 583 CG LYS A 39 35.552 -15.654 11.665 1.00 0.00 C ATOM 584 CD LYS A 39 35.754 -16.008 13.129 1.00 0.00 C ATOM 585 CE LYS A 39 37.125 -15.572 13.623 1.00 0.00 C ATOM 586 NZ LYS A 39 37.116 -15.258 15.079 1.00 0.00 N ATOM 0 H LYS A 39 33.965 -11.912 11.494 1.00 0.00 H new ATOM 0 HA LYS A 39 33.225 -14.626 10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.614 -13.808 10.586 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.554 -13.620 12.327 1.00 0.00 H new ATOM 0 HG2 LYS A 39 34.781 -16.296 11.237 1.00 0.00 H new ATOM 0 HG3 LYS A 39 36.471 -15.848 11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 39 34.980 -15.530 13.730 1.00 0.00 H new ATOM 0 HD3 LYS A 39 35.643 -17.084 13.263 1.00 0.00 H new ATOM 0 HE2 LYS A 39 37.850 -16.362 13.426 1.00 0.00 H new ATOM 0 HE3 LYS A 39 37.450 -14.694 13.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 38.068 -14.965 15.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 36.443 -14.487 15.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 36.830 -16.103 15.615 1.00 0.00 H new ATOM 600 N ARG A 40 32.298 -15.482 12.771 1.00 0.00 N ATOM 601 CA ARG A 40 31.633 -15.947 13.983 1.00 0.00 C ATOM 602 C ARG A 40 31.442 -17.461 13.951 1.00 0.00 C ATOM 603 O ARG A 40 31.828 -18.124 12.989 1.00 0.00 O ATOM 604 CB ARG A 40 30.279 -15.255 14.146 1.00 0.00 C ATOM 605 CG ARG A 40 29.938 -14.914 15.587 1.00 0.00 C ATOM 606 CD ARG A 40 30.041 -13.419 15.846 1.00 0.00 C ATOM 607 NE ARG A 40 29.508 -13.053 17.155 1.00 0.00 N ATOM 608 CZ ARG A 40 30.116 -13.334 18.302 1.00 0.00 C ATOM 609 NH1 ARG A 40 31.273 -13.982 18.301 1.00 0.00 N ATOM 610 NH2 ARG A 40 29.568 -12.967 19.453 1.00 0.00 N ATOM 0 H ARG A 40 32.178 -16.093 11.963 1.00 0.00 H new ATOM 0 HA ARG A 40 32.266 -15.695 14.834 1.00 0.00 H new ATOM 0 HB2 ARG A 40 30.275 -14.340 13.554 1.00 0.00 H new ATOM 0 HB3 ARG A 40 29.500 -15.900 13.740 1.00 0.00 H new ATOM 0 HG2 ARG A 40 28.928 -15.255 15.813 1.00 0.00 H new ATOM 0 HG3 ARG A 40 30.612 -15.448 16.257 1.00 0.00 H new ATOM 0 HD2 ARG A 40 31.084 -13.111 15.780 1.00 0.00 H new ATOM 0 HD3 ARG A 40 29.499 -12.878 15.070 1.00 0.00 H new ATOM 0 HE ARG A 40 28.619 -12.554 17.191 1.00 0.00 H new ATOM 0 HH11 ARG A 40 31.698 -14.266 17.418 1.00 0.00 H new ATOM 0 HH12 ARG A 40 31.738 -14.197 19.183 1.00 0.00 H new ATOM 0 HH21 ARG A 40 28.678 -12.468 19.458 1.00 0.00 H new ATOM 0 HH22 ARG A 40 30.036 -13.184 20.333 1.00 0.00 H new ATOM 624 N GLU A 41 30.845 -17.999 15.009 1.00 0.00 N ATOM 625 CA GLU A 41 30.604 -19.435 15.102 1.00 0.00 C ATOM 626 C GLU A 41 31.920 -20.207 15.122 1.00 0.00 C ATOM 627 O GLU A 41 32.991 -19.625 15.296 1.00 0.00 O ATOM 628 CB GLU A 41 29.742 -19.906 13.930 1.00 0.00 C ATOM 629 CG GLU A 41 28.438 -20.560 14.357 1.00 0.00 C ATOM 630 CD GLU A 41 28.632 -21.574 15.469 1.00 0.00 C ATOM 631 OE1 GLU A 41 29.036 -22.716 15.167 1.00 0.00 O ATOM 632 OE2 GLU A 41 28.378 -21.224 16.640 1.00 0.00 O ATOM 0 H GLU A 41 30.519 -17.463 15.814 1.00 0.00 H new ATOM 0 HA GLU A 41 30.074 -19.629 16.035 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.518 -19.053 13.289 1.00 0.00 H new ATOM 0 HB3 GLU A 41 30.314 -20.614 13.330 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.741 -19.790 14.689 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.983 -21.052 13.497 1.00 0.00 H new ATOM 639 N ALA A 42 31.831 -21.521 14.944 1.00 0.00 N ATOM 640 CA ALA A 42 33.014 -22.373 14.940 1.00 0.00 C ATOM 641 C ALA A 42 34.118 -21.776 14.075 1.00 0.00 C ATOM 642 O ALA A 42 35.301 -21.898 14.389 1.00 0.00 O ATOM 643 CB ALA A 42 32.656 -23.769 14.454 1.00 0.00 C ATOM 0 H ALA A 42 30.952 -22.019 14.801 1.00 0.00 H new ATOM 0 HA ALA A 42 33.387 -22.440 15.962 1.00 0.00 H new ATOM 0 HB1 ALA A 42 33.548 -24.395 14.456 1.00 0.00 H new ATOM 0 HB2 ALA A 42 31.907 -24.204 15.116 1.00 0.00 H new ATOM 0 HB3 ALA A 42 32.256 -23.710 13.442 1.00 0.00 H new ATOM 649 N GLY A 43 33.723 -21.129 12.982 1.00 0.00 N ATOM 650 CA GLY A 43 34.692 -20.523 12.088 1.00 0.00 C ATOM 651 C GLY A 43 34.090 -20.147 10.749 1.00 0.00 C ATOM 652 O GLY A 43 34.743 -20.259 9.712 1.00 0.00 O ATOM 0 H GLY A 43 32.749 -21.014 12.700 1.00 0.00 H new ATOM 0 HA2 GLY A 43 35.108 -19.632 12.559 1.00 0.00 H new ATOM 0 HA3 GLY A 43 35.518 -21.216 11.930 1.00 0.00 H new ATOM 656 N LYS A 44 32.838 -19.700 10.770 1.00 0.00 N ATOM 657 CA LYS A 44 32.146 -19.306 9.548 1.00 0.00 C ATOM 658 C LYS A 44 31.934 -17.796 9.505 1.00 0.00 C ATOM 659 O LYS A 44 31.487 -17.196 10.482 1.00 0.00 O ATOM 660 CB LYS A 44 30.798 -20.024 9.448 1.00 0.00 C ATOM 661 CG LYS A 44 29.838 -19.674 10.573 1.00 0.00 C ATOM 662 CD LYS A 44 28.818 -20.778 10.798 1.00 0.00 C ATOM 663 CE LYS A 44 29.471 -22.037 11.348 1.00 0.00 C ATOM 664 NZ LYS A 44 29.458 -23.147 10.356 1.00 0.00 N ATOM 0 H LYS A 44 32.282 -19.602 11.620 1.00 0.00 H new ATOM 0 HA LYS A 44 32.768 -19.592 8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 44 30.333 -19.775 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 44 30.968 -21.101 9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 44 30.399 -19.503 11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 44 29.322 -18.743 10.336 1.00 0.00 H new ATOM 0 HD2 LYS A 44 28.052 -20.431 11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.316 -21.008 9.858 1.00 0.00 H new ATOM 0 HE2 LYS A 44 30.500 -21.817 11.634 1.00 0.00 H new ATOM 0 HE3 LYS A 44 28.949 -22.352 12.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 30.236 -23.806 10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 28.551 -23.653 10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 29.578 -22.759 9.399 1.00 0.00 H new ATOM 678 N GLU A 45 32.258 -17.190 8.368 1.00 0.00 N ATOM 679 CA GLU A 45 32.103 -15.750 8.199 1.00 0.00 C ATOM 680 C GLU A 45 30.797 -15.425 7.480 1.00 0.00 C ATOM 681 O GLU A 45 30.508 -15.971 6.416 1.00 0.00 O ATOM 682 CB GLU A 45 33.285 -15.175 7.416 1.00 0.00 C ATOM 683 CG GLU A 45 34.299 -14.454 8.288 1.00 0.00 C ATOM 684 CD GLU A 45 35.575 -14.117 7.541 1.00 0.00 C ATOM 685 OE1 GLU A 45 35.676 -14.470 6.348 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.474 -13.500 8.152 1.00 0.00 O ATOM 0 H GLU A 45 32.629 -17.673 7.550 1.00 0.00 H new ATOM 0 HA GLU A 45 32.077 -15.295 9.189 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.786 -15.984 6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.909 -14.483 6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.854 -13.536 8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.540 -15.077 9.149 1.00 0.00 H new ATOM 693 N SER A 46 30.010 -14.530 8.071 1.00 0.00 N ATOM 694 CA SER A 46 28.732 -14.135 7.491 1.00 0.00 C ATOM 695 C SER A 46 28.807 -12.720 6.925 1.00 0.00 C ATOM 696 O SER A 46 29.566 -11.882 7.415 1.00 0.00 O ATOM 697 CB SER A 46 27.623 -14.218 8.541 1.00 0.00 C ATOM 698 OG SER A 46 26.343 -14.182 7.935 1.00 0.00 O ATOM 0 H SER A 46 30.236 -14.065 8.951 1.00 0.00 H new ATOM 0 HA SER A 46 28.503 -14.822 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.731 -15.138 9.116 1.00 0.00 H new ATOM 0 HB3 SER A 46 27.720 -13.390 9.243 1.00 0.00 H new ATOM 0 HG SER A 46 25.652 -14.238 8.627 1.00 0.00 H new ATOM 704 N CYS A 47 28.016 -12.460 5.890 1.00 0.00 N ATOM 705 CA CYS A 47 27.991 -11.148 5.255 1.00 0.00 C ATOM 706 C CYS A 47 26.612 -10.507 5.386 1.00 0.00 C ATOM 707 O CYS A 47 25.598 -11.114 5.041 1.00 0.00 O ATOM 708 CB CYS A 47 28.373 -11.265 3.779 1.00 0.00 C ATOM 709 SG CYS A 47 29.946 -10.452 3.351 1.00 0.00 S ATOM 0 H CYS A 47 27.383 -13.142 5.472 1.00 0.00 H new ATOM 0 HA CYS A 47 28.718 -10.513 5.762 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.438 -12.320 3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.576 -10.833 3.173 1.00 0.00 H new ATOM 714 N PHE A 48 26.584 -9.275 5.885 1.00 0.00 N ATOM 715 CA PHE A 48 25.330 -8.551 6.062 1.00 0.00 C ATOM 716 C PHE A 48 25.317 -7.275 5.225 1.00 0.00 C ATOM 717 O PHE A 48 26.250 -6.474 5.278 1.00 0.00 O ATOM 718 CB PHE A 48 25.119 -8.208 7.538 1.00 0.00 C ATOM 719 CG PHE A 48 26.365 -7.731 8.227 1.00 0.00 C ATOM 720 CD1 PHE A 48 27.253 -8.635 8.788 1.00 0.00 C ATOM 721 CD2 PHE A 48 26.649 -6.378 8.314 1.00 0.00 C ATOM 722 CE1 PHE A 48 28.400 -8.198 9.423 1.00 0.00 C ATOM 723 CE2 PHE A 48 27.795 -5.935 8.948 1.00 0.00 C ATOM 724 CZ PHE A 48 28.672 -6.846 9.502 1.00 0.00 C ATOM 0 H PHE A 48 27.414 -8.758 6.174 1.00 0.00 H new ATOM 0 HA PHE A 48 24.517 -9.194 5.726 1.00 0.00 H new ATOM 0 HB2 PHE A 48 24.352 -7.438 7.618 1.00 0.00 H new ATOM 0 HB3 PHE A 48 24.741 -9.089 8.057 1.00 0.00 H new ATOM 0 HD1 PHE A 48 27.046 -9.693 8.728 1.00 0.00 H new ATOM 0 HD2 PHE A 48 25.967 -5.661 7.881 1.00 0.00 H new ATOM 0 HE1 PHE A 48 29.083 -8.913 9.857 1.00 0.00 H new ATOM 0 HE2 PHE A 48 28.004 -4.877 9.010 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.569 -6.502 9.996 1.00 0.00 H new ATOM 734 N CYS A 49 24.251 -7.093 4.452 1.00 0.00 N ATOM 735 CA CYS A 49 24.114 -5.917 3.603 1.00 0.00 C ATOM 736 C CYS A 49 22.777 -5.222 3.846 1.00 0.00 C ATOM 737 O CYS A 49 21.779 -5.869 4.166 1.00 0.00 O ATOM 738 CB CYS A 49 24.236 -6.309 2.129 1.00 0.00 C ATOM 739 SG CYS A 49 25.397 -7.678 1.818 1.00 0.00 S ATOM 0 H CYS A 49 23.469 -7.746 4.397 1.00 0.00 H new ATOM 0 HA CYS A 49 24.916 -5.223 3.856 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.251 -6.590 1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.557 -5.438 1.558 1.00 0.00 H new ATOM 744 N TYR A 50 22.766 -3.903 3.692 1.00 0.00 N ATOM 745 CA TYR A 50 21.553 -3.120 3.898 1.00 0.00 C ATOM 746 C TYR A 50 21.211 -2.309 2.652 1.00 0.00 C ATOM 747 O TYR A 50 22.084 -1.700 2.034 1.00 0.00 O ATOM 748 CB TYR A 50 21.720 -2.187 5.098 1.00 0.00 C ATOM 749 CG TYR A 50 22.202 -2.888 6.348 1.00 0.00 C ATOM 750 CD1 TYR A 50 21.345 -3.688 7.093 1.00 0.00 C ATOM 751 CD2 TYR A 50 23.514 -2.750 6.784 1.00 0.00 C ATOM 752 CE1 TYR A 50 21.781 -4.330 8.236 1.00 0.00 C ATOM 753 CE2 TYR A 50 23.959 -3.389 7.924 1.00 0.00 C ATOM 754 CZ TYR A 50 23.089 -4.178 8.647 1.00 0.00 C ATOM 755 OH TYR A 50 23.527 -4.816 9.785 1.00 0.00 O ATOM 0 H TYR A 50 23.583 -3.353 3.425 1.00 0.00 H new ATOM 0 HA TYR A 50 20.734 -3.811 4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 50 22.426 -1.398 4.839 1.00 0.00 H new ATOM 0 HB3 TYR A 50 20.766 -1.704 5.308 1.00 0.00 H new ATOM 0 HD1 TYR A 50 20.321 -3.810 6.773 1.00 0.00 H new ATOM 0 HD2 TYR A 50 24.198 -2.132 6.221 1.00 0.00 H new ATOM 0 HE1 TYR A 50 21.101 -4.948 8.805 1.00 0.00 H new ATOM 0 HE2 TYR A 50 24.983 -3.272 8.248 1.00 0.00 H new ATOM 0 HH TYR A 50 24.472 -4.606 9.935 1.00 0.00 H new ATOM 765 N PHE A 51 19.932 -2.305 2.289 1.00 0.00 N ATOM 766 CA PHE A 51 19.473 -1.569 1.117 1.00 0.00 C ATOM 767 C PHE A 51 18.035 -1.092 1.304 1.00 0.00 C ATOM 768 O PHE A 51 17.228 -1.758 1.951 1.00 0.00 O ATOM 769 CB PHE A 51 19.572 -2.446 -0.133 1.00 0.00 C ATOM 770 CG PHE A 51 18.864 -1.871 -1.327 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.250 -0.650 -1.856 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.812 -2.551 -1.919 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.600 -0.118 -2.954 1.00 0.00 C ATOM 774 CE2 PHE A 51 17.160 -2.024 -3.017 1.00 0.00 C ATOM 775 CZ PHE A 51 17.553 -0.806 -3.535 1.00 0.00 C ATOM 0 H PHE A 51 19.196 -2.803 2.790 1.00 0.00 H new ATOM 0 HA PHE A 51 20.114 -0.696 0.992 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.623 -2.594 -0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 51 19.155 -3.428 0.088 1.00 0.00 H new ATOM 0 HD1 PHE A 51 20.068 -0.108 -1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.498 -3.503 -1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.911 0.835 -3.357 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.343 -2.565 -3.470 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.043 -0.392 -4.392 1.00 0.00 H new ATOM 785 N ASP A 52 17.724 0.066 0.733 1.00 0.00 N ATOM 786 CA ASP A 52 16.385 0.634 0.835 1.00 0.00 C ATOM 787 C ASP A 52 15.409 -0.109 -0.071 1.00 0.00 C ATOM 788 O ASP A 52 15.669 -0.296 -1.261 1.00 0.00 O ATOM 789 CB ASP A 52 16.408 2.120 0.471 1.00 0.00 C ATOM 790 CG ASP A 52 17.196 2.393 -0.795 1.00 0.00 C ATOM 791 OD1 ASP A 52 18.435 2.522 -0.707 1.00 0.00 O ATOM 792 OD2 ASP A 52 16.573 2.479 -1.874 1.00 0.00 O ATOM 0 H ASP A 52 18.381 0.630 0.194 1.00 0.00 H new ATOM 0 HA ASP A 52 16.050 0.526 1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.386 2.476 0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.842 2.686 1.295 1.00 0.00 H new ATOM 797 N CYS A 53 14.286 -0.532 0.498 1.00 0.00 N ATOM 798 CA CYS A 53 13.271 -1.257 -0.257 1.00 0.00 C ATOM 799 C CYS A 53 11.997 -0.428 -0.391 1.00 0.00 C ATOM 800 O CYS A 53 11.696 0.409 0.461 1.00 0.00 O ATOM 801 CB CYS A 53 12.955 -2.591 0.422 1.00 0.00 C ATOM 802 SG CYS A 53 13.699 -4.037 -0.399 1.00 0.00 S ATOM 0 H CYS A 53 14.055 -0.385 1.481 1.00 0.00 H new ATOM 0 HA CYS A 53 13.665 -1.449 -1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 53 13.304 -2.553 1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.873 -2.722 0.456 1.00 0.00 H new ATOM 807 N SER A 54 11.251 -0.667 -1.465 1.00 0.00 N ATOM 808 CA SER A 54 10.011 0.059 -1.712 1.00 0.00 C ATOM 809 C SER A 54 10.211 1.559 -1.514 1.00 0.00 C ATOM 810 O SER A 54 9.303 2.266 -1.077 1.00 0.00 O ATOM 811 CB SER A 54 8.906 -0.446 -0.784 1.00 0.00 C ATOM 812 OG SER A 54 8.902 -1.862 -0.718 1.00 0.00 O ATOM 0 H SER A 54 11.484 -1.358 -2.178 1.00 0.00 H new ATOM 0 HA SER A 54 9.716 -0.117 -2.746 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.048 -0.033 0.215 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.938 -0.093 -1.140 1.00 0.00 H new ATOM 0 HG SER A 54 8.187 -2.159 -0.117 1.00 0.00 H new ATOM 818 N LYS A 55 11.408 2.038 -1.838 1.00 0.00 N ATOM 819 CA LYS A 55 11.730 3.453 -1.698 1.00 0.00 C ATOM 820 C LYS A 55 11.679 3.880 -0.235 1.00 0.00 C ATOM 821 O LYS A 55 10.650 4.354 0.248 1.00 0.00 O ATOM 822 CB LYS A 55 10.759 4.302 -2.523 1.00 0.00 C ATOM 823 CG LYS A 55 11.354 4.816 -3.822 1.00 0.00 C ATOM 824 CD LYS A 55 10.894 3.989 -5.011 1.00 0.00 C ATOM 825 CE LYS A 55 9.411 4.184 -5.285 1.00 0.00 C ATOM 826 NZ LYS A 55 9.027 3.691 -6.637 1.00 0.00 N ATOM 0 H LYS A 55 12.171 1.466 -2.200 1.00 0.00 H new ATOM 0 HA LYS A 55 12.743 3.608 -2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.873 3.709 -2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.431 5.150 -1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.066 5.857 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.442 4.792 -3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.468 4.269 -5.894 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.095 2.934 -4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.830 3.658 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.162 5.242 -5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.009 3.842 -6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.563 4.211 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.241 2.676 -6.710 1.00 0.00 H new