USER MOD reduce.3.24.130724 H: found=0, std=0, add=296, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 295 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 1 ASN : amide:sc= 0.283 K(o=0.28,f=-1.6) USER MOD Single : A 1 ASN N :NH3+ -117:sc= 0.09 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0483 USER MOD Single : A 3 LYS NZ :NH3+ -156:sc= -0.103 (180deg=-1.08) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 22 HIS : no HD1:sc= -0.647 K(o=-0.65,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.451 X(o=-0.45,f=-0.0096) USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= 1.19 (180deg=0.409) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.605 K(o=-0.61,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 49.185 -3.643 9.686 1.00 0.00 N ATOM 2 CA ASN A 1 49.677 -2.399 10.346 1.00 0.00 C ATOM 3 C ASN A 1 48.950 -2.182 11.676 1.00 0.00 C ATOM 4 O ASN A 1 47.944 -2.804 11.952 1.00 0.00 O ATOM 5 CB ASN A 1 49.349 -1.272 9.366 1.00 0.00 C ATOM 6 CG ASN A 1 50.013 0.023 9.839 1.00 0.00 C ATOM 7 OD1 ASN A 1 51.191 0.044 10.132 1.00 0.00 O ATOM 8 ND2 ASN A 1 49.300 1.113 9.925 1.00 0.00 N ATOM 0 H1 ASN A 1 49.966 -4.325 9.605 1.00 0.00 H new ATOM 0 H2 ASN A 1 48.420 -4.058 10.255 1.00 0.00 H new ATOM 0 H3 ASN A 1 48.826 -3.414 8.737 1.00 0.00 H new ATOM 0 HA ASN A 1 50.743 -2.446 10.571 1.00 0.00 H new ATOM 0 HB2 ASN A 1 49.701 -1.530 8.367 1.00 0.00 H new ATOM 0 HB3 ASN A 1 48.270 -1.137 9.299 1.00 0.00 H new ATOM 0 HD21 ASN A 1 49.733 1.982 10.238 1.00 0.00 H new ATOM 0 HD22 ASN A 1 48.310 1.096 9.679 1.00 0.00 H new ATOM 17 N SER A 2 49.451 -1.303 12.499 1.00 0.00 N ATOM 18 CA SER A 2 48.787 -1.046 13.811 1.00 0.00 C ATOM 19 C SER A 2 47.463 -0.307 13.595 1.00 0.00 C ATOM 20 O SER A 2 46.489 -0.546 14.279 1.00 0.00 O ATOM 21 CB SER A 2 49.771 -0.172 14.588 1.00 0.00 C ATOM 22 OG SER A 2 49.918 1.077 13.930 1.00 0.00 O ATOM 0 H SER A 2 50.290 -0.751 12.322 1.00 0.00 H new ATOM 0 HA SER A 2 48.553 -1.967 14.345 1.00 0.00 H new ATOM 0 HB2 SER A 2 49.412 -0.019 15.606 1.00 0.00 H new ATOM 0 HB3 SER A 2 50.737 -0.672 14.662 1.00 0.00 H new ATOM 0 HG SER A 2 50.548 1.638 14.429 1.00 0.00 H new ATOM 28 N LYS A 3 47.419 0.586 12.644 1.00 0.00 N ATOM 29 CA LYS A 3 46.158 1.335 12.381 1.00 0.00 C ATOM 30 C LYS A 3 45.917 1.440 10.872 1.00 0.00 C ATOM 31 O LYS A 3 46.821 1.273 10.079 1.00 0.00 O ATOM 32 CB LYS A 3 46.382 2.720 12.990 1.00 0.00 C ATOM 33 CG LYS A 3 47.485 3.446 12.217 1.00 0.00 C ATOM 34 CD LYS A 3 47.862 4.732 12.954 1.00 0.00 C ATOM 35 CE LYS A 3 46.617 5.606 13.127 1.00 0.00 C ATOM 36 NZ LYS A 3 46.173 5.916 11.739 1.00 0.00 N ATOM 0 H LYS A 3 48.202 0.829 12.038 1.00 0.00 H new ATOM 0 HA LYS A 3 45.285 0.843 12.810 1.00 0.00 H new ATOM 0 HB2 LYS A 3 45.458 3.298 12.955 1.00 0.00 H new ATOM 0 HB3 LYS A 3 46.660 2.627 14.040 1.00 0.00 H new ATOM 0 HG2 LYS A 3 48.359 2.802 12.117 1.00 0.00 H new ATOM 0 HG3 LYS A 3 47.144 3.679 11.208 1.00 0.00 H new ATOM 0 HD2 LYS A 3 48.290 4.493 13.928 1.00 0.00 H new ATOM 0 HD3 LYS A 3 48.625 5.274 12.395 1.00 0.00 H new ATOM 0 HE2 LYS A 3 45.840 5.082 13.683 1.00 0.00 H new ATOM 0 HE3 LYS A 3 46.847 6.516 13.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 45.616 6.794 11.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 47.005 6.035 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 45.587 5.135 11.379 1.00 0.00 H new ATOM 50 N ARG A 4 44.706 1.714 10.470 1.00 0.00 N ATOM 51 CA ARG A 4 44.417 1.826 9.011 1.00 0.00 C ATOM 52 C ARG A 4 44.742 3.236 8.511 1.00 0.00 C ATOM 53 O ARG A 4 44.799 4.178 9.276 1.00 0.00 O ATOM 54 CB ARG A 4 42.920 1.545 8.878 1.00 0.00 C ATOM 55 CG ARG A 4 42.677 0.034 8.925 1.00 0.00 C ATOM 56 CD ARG A 4 41.197 -0.254 8.662 1.00 0.00 C ATOM 57 NE ARG A 4 40.483 0.329 9.832 1.00 0.00 N ATOM 58 CZ ARG A 4 39.229 0.034 10.043 1.00 0.00 C ATOM 59 NH1 ARG A 4 38.378 0.056 9.055 1.00 0.00 N ATOM 60 NH2 ARG A 4 38.827 -0.282 11.244 1.00 0.00 N ATOM 0 H ARG A 4 43.907 1.865 11.085 1.00 0.00 H new ATOM 0 HA ARG A 4 45.017 1.133 8.420 1.00 0.00 H new ATOM 0 HB2 ARG A 4 42.374 2.037 9.683 1.00 0.00 H new ATOM 0 HB3 ARG A 4 42.544 1.955 7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 4 43.294 -0.468 8.179 1.00 0.00 H new ATOM 0 HG3 ARG A 4 42.968 -0.362 9.898 1.00 0.00 H new ATOM 0 HD2 ARG A 4 40.865 0.201 7.729 1.00 0.00 H new ATOM 0 HD3 ARG A 4 41.011 -1.325 8.578 1.00 0.00 H new ATOM 0 HE ARG A 4 40.973 0.958 10.468 1.00 0.00 H new ATOM 0 HH11 ARG A 4 38.692 0.304 8.117 1.00 0.00 H new ATOM 0 HH12 ARG A 4 37.398 -0.175 9.221 1.00 0.00 H new ATOM 0 HH21 ARG A 4 39.493 -0.298 12.017 1.00 0.00 H new ATOM 0 HH22 ARG A 4 37.847 -0.513 11.410 1.00 0.00 H new ATOM 74 N ALA A 5 44.956 3.387 7.234 1.00 0.00 N ATOM 75 CA ALA A 5 45.275 4.736 6.685 1.00 0.00 C ATOM 76 C ALA A 5 44.011 5.381 6.111 1.00 0.00 C ATOM 77 O ALA A 5 43.441 4.905 5.151 1.00 0.00 O ATOM 78 CB ALA A 5 46.298 4.483 5.577 1.00 0.00 C ATOM 0 H ALA A 5 44.924 2.635 6.546 1.00 0.00 H new ATOM 0 HA ALA A 5 45.661 5.412 7.447 1.00 0.00 H new ATOM 0 HB1 ALA A 5 46.584 5.431 5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 5 47.181 4.003 5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 5 45.860 3.834 4.818 1.00 0.00 H new ATOM 84 N CYS A 6 43.569 6.463 6.691 1.00 0.00 N ATOM 85 CA CYS A 6 42.342 7.136 6.176 1.00 0.00 C ATOM 86 C CYS A 6 42.639 7.824 4.841 1.00 0.00 C ATOM 87 O CYS A 6 41.741 8.187 4.108 1.00 0.00 O ATOM 88 CB CYS A 6 41.978 8.171 7.240 1.00 0.00 C ATOM 89 SG CYS A 6 41.268 7.335 8.679 1.00 0.00 S ATOM 0 H CYS A 6 44.003 6.910 7.498 1.00 0.00 H new ATOM 0 HA CYS A 6 41.529 6.431 5.999 1.00 0.00 H new ATOM 0 HB2 CYS A 6 42.864 8.733 7.534 1.00 0.00 H new ATOM 0 HB3 CYS A 6 41.265 8.889 6.835 1.00 0.00 H new ATOM 94 N TYR A 7 43.890 8.008 4.522 1.00 0.00 N ATOM 95 CA TYR A 7 44.240 8.676 3.237 1.00 0.00 C ATOM 96 C TYR A 7 43.983 7.734 2.057 1.00 0.00 C ATOM 97 O TYR A 7 43.679 8.165 0.963 1.00 0.00 O ATOM 98 CB TYR A 7 45.731 8.997 3.353 1.00 0.00 C ATOM 99 CG TYR A 7 46.224 9.593 2.055 1.00 0.00 C ATOM 100 CD1 TYR A 7 45.889 10.911 1.719 1.00 0.00 C ATOM 101 CD2 TYR A 7 47.017 8.831 1.190 1.00 0.00 C ATOM 102 CE1 TYR A 7 46.347 11.464 0.516 1.00 0.00 C ATOM 103 CE2 TYR A 7 47.475 9.383 -0.011 1.00 0.00 C ATOM 104 CZ TYR A 7 47.141 10.701 -0.347 1.00 0.00 C ATOM 105 OH TYR A 7 47.593 11.245 -1.532 1.00 0.00 O ATOM 0 H TYR A 7 44.685 7.725 5.095 1.00 0.00 H new ATOM 0 HA TYR A 7 43.641 9.570 3.061 1.00 0.00 H new ATOM 0 HB2 TYR A 7 45.900 9.695 4.173 1.00 0.00 H new ATOM 0 HB3 TYR A 7 46.291 8.091 3.585 1.00 0.00 H new ATOM 0 HD1 TYR A 7 45.278 11.500 2.387 1.00 0.00 H new ATOM 0 HD2 TYR A 7 47.276 7.815 1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 7 46.087 12.479 0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 7 48.086 8.793 -0.679 1.00 0.00 H new ATOM 0 HH TYR A 7 48.132 10.582 -2.012 1.00 0.00 H new ATOM 115 N ARG A 8 44.101 6.451 2.269 1.00 0.00 N ATOM 116 CA ARG A 8 43.862 5.489 1.154 1.00 0.00 C ATOM 117 C ARG A 8 42.366 5.193 1.016 1.00 0.00 C ATOM 118 O ARG A 8 41.825 5.185 -0.072 1.00 0.00 O ATOM 119 CB ARG A 8 44.626 4.224 1.547 1.00 0.00 C ATOM 120 CG ARG A 8 44.556 3.210 0.403 1.00 0.00 C ATOM 121 CD ARG A 8 45.135 1.873 0.867 1.00 0.00 C ATOM 122 NE ARG A 8 45.062 0.991 -0.331 1.00 0.00 N ATOM 123 CZ ARG A 8 45.310 -0.284 -0.219 1.00 0.00 C ATOM 124 NH1 ARG A 8 45.001 -0.914 0.883 1.00 0.00 N ATOM 125 NH2 ARG A 8 45.866 -0.932 -1.206 1.00 0.00 N ATOM 0 H ARG A 8 44.352 6.028 3.163 1.00 0.00 H new ATOM 0 HA ARG A 8 44.195 5.884 0.194 1.00 0.00 H new ATOM 0 HB2 ARG A 8 45.665 4.468 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 8 44.199 3.795 2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 8 43.522 3.079 0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 8 45.112 3.579 -0.459 1.00 0.00 H new ATOM 0 HD2 ARG A 8 46.162 1.986 1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 8 44.562 1.461 1.697 1.00 0.00 H new ATOM 0 HE ARG A 8 44.818 1.385 -1.240 1.00 0.00 H new ATOM 0 HH11 ARG A 8 44.566 -0.408 1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 8 45.195 -1.912 0.972 1.00 0.00 H new ATOM 0 HH21 ARG A 8 46.107 -0.441 -2.067 1.00 0.00 H new ATOM 0 HH22 ARG A 8 46.059 -1.930 -1.117 1.00 0.00 H new ATOM 139 N GLU A 9 41.694 4.947 2.107 1.00 0.00 N ATOM 140 CA GLU A 9 40.235 4.649 2.029 1.00 0.00 C ATOM 141 C GLU A 9 39.469 5.420 3.107 1.00 0.00 C ATOM 142 O GLU A 9 38.265 5.308 3.224 1.00 0.00 O ATOM 143 CB GLU A 9 40.130 3.144 2.268 1.00 0.00 C ATOM 144 CG GLU A 9 40.973 2.404 1.228 1.00 0.00 C ATOM 145 CD GLU A 9 40.959 0.904 1.531 1.00 0.00 C ATOM 146 OE1 GLU A 9 40.459 0.536 2.580 1.00 0.00 O ATOM 147 OE2 GLU A 9 41.452 0.150 0.708 1.00 0.00 O ATOM 0 H GLU A 9 42.090 4.939 3.047 1.00 0.00 H new ATOM 0 HA GLU A 9 39.806 4.944 1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 9 40.475 2.899 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 9 39.090 2.826 2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 9 40.579 2.587 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 9 41.997 2.779 1.241 1.00 0.00 H new ATOM 154 N GLY A 10 40.154 6.204 3.896 1.00 0.00 N ATOM 155 CA GLY A 10 39.454 6.978 4.960 1.00 0.00 C ATOM 156 C GLY A 10 38.370 7.845 4.321 1.00 0.00 C ATOM 157 O GLY A 10 37.412 8.234 4.959 1.00 0.00 O ATOM 0 H GLY A 10 41.164 6.341 3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 10 39.011 6.299 5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 10 40.166 7.603 5.499 1.00 0.00 H new ATOM 161 N GLY A 11 38.512 8.150 3.060 1.00 0.00 N ATOM 162 CA GLY A 11 37.489 8.989 2.376 1.00 0.00 C ATOM 163 C GLY A 11 37.601 10.432 2.870 1.00 0.00 C ATOM 164 O GLY A 11 38.440 11.190 2.423 1.00 0.00 O ATOM 0 H GLY A 11 39.293 7.854 2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 11 37.634 8.951 1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 11 36.491 8.601 2.577 1.00 0.00 H new ATOM 168 N GLU A 12 36.759 10.821 3.788 1.00 0.00 N ATOM 169 CA GLU A 12 36.813 12.218 4.307 1.00 0.00 C ATOM 170 C GLU A 12 36.661 12.225 5.831 1.00 0.00 C ATOM 171 O GLU A 12 36.161 11.286 6.418 1.00 0.00 O ATOM 172 CB GLU A 12 35.633 12.926 3.643 1.00 0.00 C ATOM 173 CG GLU A 12 35.886 13.025 2.136 1.00 0.00 C ATOM 174 CD GLU A 12 34.703 13.725 1.464 1.00 0.00 C ATOM 175 OE1 GLU A 12 33.939 14.364 2.169 1.00 0.00 O ATOM 176 OE2 GLU A 12 34.581 13.609 0.256 1.00 0.00 O ATOM 0 H GLU A 12 36.036 10.232 4.201 1.00 0.00 H new ATOM 0 HA GLU A 12 37.761 12.708 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 12 34.711 12.377 3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 12 35.505 13.921 4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 12 36.805 13.579 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 12 36.021 12.029 1.713 1.00 0.00 H new ATOM 183 N CYS A 13 37.092 13.275 6.477 1.00 0.00 N ATOM 184 CA CYS A 13 36.975 13.335 7.963 1.00 0.00 C ATOM 185 C CYS A 13 36.124 14.535 8.390 1.00 0.00 C ATOM 186 O CYS A 13 36.092 15.554 7.730 1.00 0.00 O ATOM 187 CB CYS A 13 38.407 13.500 8.466 1.00 0.00 C ATOM 188 SG CYS A 13 39.290 11.928 8.320 1.00 0.00 S ATOM 0 H CYS A 13 37.519 14.092 6.041 1.00 0.00 H new ATOM 0 HA CYS A 13 36.493 12.445 8.368 1.00 0.00 H new ATOM 0 HB2 CYS A 13 38.919 14.270 7.889 1.00 0.00 H new ATOM 0 HB3 CYS A 13 38.402 13.830 9.505 1.00 0.00 H new ATOM 193 N LEU A 14 35.441 14.421 9.498 1.00 0.00 N ATOM 194 CA LEU A 14 34.599 15.553 9.979 1.00 0.00 C ATOM 195 C LEU A 14 34.552 15.553 11.507 1.00 0.00 C ATOM 196 O LEU A 14 34.826 14.560 12.152 1.00 0.00 O ATOM 197 CB LEU A 14 33.210 15.305 9.373 1.00 0.00 C ATOM 198 CG LEU A 14 32.108 15.916 10.248 1.00 0.00 C ATOM 199 CD1 LEU A 14 32.146 17.440 10.130 1.00 0.00 C ATOM 200 CD2 LEU A 14 30.745 15.409 9.774 1.00 0.00 C ATOM 0 H LEU A 14 35.430 13.591 10.091 1.00 0.00 H new ATOM 0 HA LEU A 14 34.990 16.526 9.681 1.00 0.00 H new ATOM 0 HB2 LEU A 14 33.164 15.735 8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 14 33.042 14.233 9.267 1.00 0.00 H new ATOM 0 HG LEU A 14 32.268 15.626 11.287 1.00 0.00 H new ATOM 0 HD11 LEU A 14 31.363 17.873 10.752 1.00 0.00 H new ATOM 0 HD12 LEU A 14 33.117 17.807 10.462 1.00 0.00 H new ATOM 0 HD13 LEU A 14 31.985 17.729 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 14 29.960 15.842 10.394 1.00 0.00 H new ATOM 0 HD22 LEU A 14 30.589 15.701 8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 14 30.713 14.322 9.854 1.00 0.00 H new ATOM 212 N GLN A 15 34.206 16.666 12.085 1.00 0.00 N ATOM 213 CA GLN A 15 34.137 16.746 13.573 1.00 0.00 C ATOM 214 C GLN A 15 32.968 15.906 14.090 1.00 0.00 C ATOM 215 O GLN A 15 33.128 15.068 14.956 1.00 0.00 O ATOM 216 CB GLN A 15 33.911 18.226 13.884 1.00 0.00 C ATOM 217 CG GLN A 15 34.130 18.472 15.379 1.00 0.00 C ATOM 218 CD GLN A 15 34.309 19.971 15.629 1.00 0.00 C ATOM 219 OE1 GLN A 15 34.053 20.779 14.758 1.00 0.00 O ATOM 220 NE2 GLN A 15 34.742 20.380 16.790 1.00 0.00 N ATOM 0 H GLN A 15 33.967 17.527 11.593 1.00 0.00 H new ATOM 0 HA GLN A 15 35.041 16.365 14.049 1.00 0.00 H new ATOM 0 HB2 GLN A 15 34.596 18.840 13.299 1.00 0.00 H new ATOM 0 HB3 GLN A 15 32.900 18.518 13.601 1.00 0.00 H new ATOM 0 HG2 GLN A 15 33.280 18.097 15.948 1.00 0.00 H new ATOM 0 HG3 GLN A 15 35.009 17.928 15.723 1.00 0.00 H new ATOM 0 HE21 GLN A 15 34.957 19.703 17.522 1.00 0.00 H new ATOM 0 HE22 GLN A 15 34.865 21.377 16.966 1.00 0.00 H new ATOM 229 N ARG A 16 31.795 16.120 13.562 1.00 0.00 N ATOM 230 CA ARG A 16 30.616 15.332 14.019 1.00 0.00 C ATOM 231 C ARG A 16 30.223 14.309 12.950 1.00 0.00 C ATOM 232 O ARG A 16 29.309 14.524 12.178 1.00 0.00 O ATOM 233 CB ARG A 16 29.500 16.360 14.215 1.00 0.00 C ATOM 234 CG ARG A 16 29.939 17.400 15.248 1.00 0.00 C ATOM 235 CD ARG A 16 30.106 16.727 16.613 1.00 0.00 C ATOM 236 NE ARG A 16 30.555 17.817 17.526 1.00 0.00 N ATOM 237 CZ ARG A 16 31.041 17.523 18.701 1.00 0.00 C ATOM 238 NH1 ARG A 16 32.034 16.681 18.803 1.00 0.00 N ATOM 239 NH2 ARG A 16 30.534 18.068 19.772 1.00 0.00 N ATOM 0 H ARG A 16 31.602 16.807 12.833 1.00 0.00 H new ATOM 0 HA ARG A 16 30.819 14.776 14.934 1.00 0.00 H new ATOM 0 HB2 ARG A 16 29.270 16.848 13.268 1.00 0.00 H new ATOM 0 HB3 ARG A 16 28.588 15.864 14.548 1.00 0.00 H new ATOM 0 HG2 ARG A 16 30.878 17.860 14.940 1.00 0.00 H new ATOM 0 HG3 ARG A 16 29.200 18.198 15.313 1.00 0.00 H new ATOM 0 HD2 ARG A 16 29.169 16.287 16.954 1.00 0.00 H new ATOM 0 HD3 ARG A 16 30.839 15.921 16.569 1.00 0.00 H new ATOM 0 HE ARG A 16 30.482 18.791 17.233 1.00 0.00 H new ATOM 0 HH11 ARG A 16 32.429 16.254 17.965 1.00 0.00 H new ATOM 0 HH12 ARG A 16 32.415 16.450 19.721 1.00 0.00 H new ATOM 0 HH21 ARG A 16 29.757 18.724 19.691 1.00 0.00 H new ATOM 0 HH22 ARG A 16 30.914 17.838 20.690 1.00 0.00 H new ATOM 253 N CYS A 17 30.907 13.200 12.898 1.00 0.00 N ATOM 254 CA CYS A 17 30.576 12.164 11.879 1.00 0.00 C ATOM 255 C CYS A 17 29.327 11.387 12.300 1.00 0.00 C ATOM 256 O CYS A 17 29.413 10.301 12.836 1.00 0.00 O ATOM 257 CB CYS A 17 31.792 11.240 11.848 1.00 0.00 C ATOM 258 SG CYS A 17 31.793 10.292 10.307 1.00 0.00 S ATOM 0 H CYS A 17 31.682 12.966 13.518 1.00 0.00 H new ATOM 0 HA CYS A 17 30.366 12.599 10.902 1.00 0.00 H new ATOM 0 HB2 CYS A 17 32.708 11.825 11.928 1.00 0.00 H new ATOM 0 HB3 CYS A 17 31.770 10.564 12.703 1.00 0.00 H new ATOM 263 N ILE A 18 28.165 11.933 12.062 1.00 0.00 N ATOM 264 CA ILE A 18 26.918 11.216 12.452 1.00 0.00 C ATOM 265 C ILE A 18 25.873 11.314 11.338 1.00 0.00 C ATOM 266 O ILE A 18 26.000 12.097 10.418 1.00 0.00 O ATOM 267 CB ILE A 18 26.420 11.929 13.710 1.00 0.00 C ATOM 268 CG1 ILE A 18 27.573 12.079 14.704 1.00 0.00 C ATOM 269 CG2 ILE A 18 25.300 11.106 14.350 1.00 0.00 C ATOM 270 CD1 ILE A 18 27.974 10.701 15.232 1.00 0.00 C ATOM 0 H ILE A 18 28.026 12.840 11.617 1.00 0.00 H new ATOM 0 HA ILE A 18 27.098 10.155 12.627 1.00 0.00 H new ATOM 0 HB ILE A 18 26.042 12.916 13.443 1.00 0.00 H new ATOM 0 HG12 ILE A 18 28.425 12.557 14.220 1.00 0.00 H new ATOM 0 HG13 ILE A 18 27.273 12.724 15.530 1.00 0.00 H new ATOM 0 HG21 ILE A 18 24.943 11.612 15.247 1.00 0.00 H new ATOM 0 HG22 ILE A 18 24.478 10.999 13.643 1.00 0.00 H new ATOM 0 HG23 ILE A 18 25.680 10.120 14.617 1.00 0.00 H new ATOM 0 HD11 ILE A 18 28.796 10.808 15.940 1.00 0.00 H new ATOM 0 HD12 ILE A 18 27.122 10.241 15.732 1.00 0.00 H new ATOM 0 HD13 ILE A 18 28.291 10.071 14.401 1.00 0.00 H new ATOM 282 N GLY A 19 24.838 10.523 11.418 1.00 0.00 N ATOM 283 CA GLY A 19 23.782 10.568 10.369 1.00 0.00 C ATOM 284 C GLY A 19 24.163 9.645 9.212 1.00 0.00 C ATOM 285 O GLY A 19 24.466 8.483 9.403 1.00 0.00 O ATOM 0 H GLY A 19 24.679 9.847 12.165 1.00 0.00 H new ATOM 0 HA2 GLY A 19 22.824 10.262 10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 19 23.659 11.589 10.007 1.00 0.00 H new ATOM 289 N LEU A 20 24.145 10.151 8.010 1.00 0.00 N ATOM 290 CA LEU A 20 24.499 9.304 6.835 1.00 0.00 C ATOM 291 C LEU A 20 25.984 8.929 6.862 1.00 0.00 C ATOM 292 O LEU A 20 26.373 7.869 6.414 1.00 0.00 O ATOM 293 CB LEU A 20 24.192 10.176 5.618 1.00 0.00 C ATOM 294 CG LEU A 20 24.434 9.372 4.341 1.00 0.00 C ATOM 295 CD1 LEU A 20 23.698 8.035 4.435 1.00 0.00 C ATOM 296 CD2 LEU A 20 23.910 10.159 3.138 1.00 0.00 C ATOM 0 H LEU A 20 23.900 11.116 7.790 1.00 0.00 H new ATOM 0 HA LEU A 20 23.942 8.367 6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 20 23.158 10.519 5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 20 24.823 11.065 5.626 1.00 0.00 H new ATOM 0 HG LEU A 20 25.502 9.191 4.220 1.00 0.00 H new ATOM 0 HD11 LEU A 20 23.870 7.460 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 20 24.069 7.475 5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 20 22.630 8.215 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 20 24.082 9.587 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 20 22.842 10.338 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 20 24.433 11.113 3.072 1.00 0.00 H new ATOM 308 N PHE A 21 26.815 9.789 7.379 1.00 0.00 N ATOM 309 CA PHE A 21 28.273 9.479 7.428 1.00 0.00 C ATOM 310 C PHE A 21 28.584 8.558 8.612 1.00 0.00 C ATOM 311 O PHE A 21 28.149 8.790 9.721 1.00 0.00 O ATOM 312 CB PHE A 21 28.961 10.833 7.604 1.00 0.00 C ATOM 313 CG PHE A 21 28.742 11.674 6.369 1.00 0.00 C ATOM 314 CD1 PHE A 21 29.492 11.430 5.212 1.00 0.00 C ATOM 315 CD2 PHE A 21 27.787 12.699 6.381 1.00 0.00 C ATOM 316 CE1 PHE A 21 29.289 12.211 4.068 1.00 0.00 C ATOM 317 CE2 PHE A 21 27.584 13.480 5.237 1.00 0.00 C ATOM 318 CZ PHE A 21 28.334 13.236 4.081 1.00 0.00 C ATOM 0 H PHE A 21 26.550 10.693 7.770 1.00 0.00 H new ATOM 0 HA PHE A 21 28.614 8.962 6.531 1.00 0.00 H new ATOM 0 HB2 PHE A 21 28.562 11.344 8.480 1.00 0.00 H new ATOM 0 HB3 PHE A 21 30.028 10.691 7.776 1.00 0.00 H new ATOM 0 HD1 PHE A 21 30.227 10.639 5.202 1.00 0.00 H new ATOM 0 HD2 PHE A 21 27.207 12.887 7.273 1.00 0.00 H new ATOM 0 HE1 PHE A 21 29.868 12.023 3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 21 26.849 14.271 5.247 1.00 0.00 H new ATOM 0 HZ PHE A 21 28.177 13.838 3.198 1.00 0.00 H new ATOM 328 N HIS A 22 29.338 7.516 8.383 1.00 0.00 N ATOM 329 CA HIS A 22 29.680 6.583 9.494 1.00 0.00 C ATOM 330 C HIS A 22 31.145 6.768 9.897 1.00 0.00 C ATOM 331 O HIS A 22 32.004 6.978 9.064 1.00 0.00 O ATOM 332 CB HIS A 22 29.452 5.183 8.924 1.00 0.00 C ATOM 333 CG HIS A 22 29.733 4.156 9.987 1.00 0.00 C ATOM 334 ND1 HIS A 22 28.852 3.909 11.029 1.00 0.00 N ATOM 335 CD2 HIS A 22 30.794 3.307 10.185 1.00 0.00 C ATOM 336 CE1 HIS A 22 29.394 2.948 11.800 1.00 0.00 C ATOM 337 NE2 HIS A 22 30.578 2.544 11.329 1.00 0.00 N ATOM 0 H HIS A 22 29.732 7.271 7.474 1.00 0.00 H new ATOM 0 HA HIS A 22 29.077 6.759 10.385 1.00 0.00 H new ATOM 0 HB2 HIS A 22 28.425 5.085 8.571 1.00 0.00 H new ATOM 0 HB3 HIS A 22 30.101 5.019 8.064 1.00 0.00 H new ATOM 0 HD2 HIS A 22 31.665 3.241 9.549 1.00 0.00 H new ATOM 0 HE1 HIS A 22 28.929 2.552 12.691 1.00 0.00 H new ATOM 0 HE2 HIS A 22 31.191 1.830 11.723 1.00 0.00 H new ATOM 345 N LYS A 23 31.439 6.696 11.166 1.00 0.00 N ATOM 346 CA LYS A 23 32.850 6.875 11.611 1.00 0.00 C ATOM 347 C LYS A 23 33.581 5.531 11.626 1.00 0.00 C ATOM 348 O LYS A 23 33.275 4.655 12.411 1.00 0.00 O ATOM 349 CB LYS A 23 32.755 7.446 13.026 1.00 0.00 C ATOM 350 CG LYS A 23 34.141 7.909 13.482 1.00 0.00 C ATOM 351 CD LYS A 23 34.092 8.274 14.967 1.00 0.00 C ATOM 352 CE LYS A 23 33.913 7.002 15.799 1.00 0.00 C ATOM 353 NZ LYS A 23 34.666 7.259 17.058 1.00 0.00 N ATOM 0 H LYS A 23 30.766 6.522 11.912 1.00 0.00 H new ATOM 0 HA LYS A 23 33.408 7.531 10.943 1.00 0.00 H new ATOM 0 HB2 LYS A 23 32.055 8.282 13.047 1.00 0.00 H new ATOM 0 HB3 LYS A 23 32.369 6.690 13.710 1.00 0.00 H new ATOM 0 HG2 LYS A 23 34.874 7.120 13.314 1.00 0.00 H new ATOM 0 HG3 LYS A 23 34.460 8.770 12.895 1.00 0.00 H new ATOM 0 HD2 LYS A 23 35.010 8.785 15.257 1.00 0.00 H new ATOM 0 HD3 LYS A 23 33.270 8.964 15.156 1.00 0.00 H new ATOM 0 HE2 LYS A 23 32.860 6.807 16.001 1.00 0.00 H new ATOM 0 HE3 LYS A 23 34.304 6.129 15.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 34.591 6.431 17.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 35.666 7.435 16.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 34.267 8.091 17.537 1.00 0.00 H new ATOM 367 N ILE A 24 34.558 5.369 10.776 1.00 0.00 N ATOM 368 CA ILE A 24 35.323 4.090 10.753 1.00 0.00 C ATOM 369 C ILE A 24 36.308 4.087 11.916 1.00 0.00 C ATOM 370 O ILE A 24 36.490 3.098 12.599 1.00 0.00 O ATOM 371 CB ILE A 24 36.078 4.089 9.422 1.00 0.00 C ATOM 372 CG1 ILE A 24 35.126 4.463 8.286 1.00 0.00 C ATOM 373 CG2 ILE A 24 36.654 2.695 9.165 1.00 0.00 C ATOM 374 CD1 ILE A 24 34.040 3.395 8.154 1.00 0.00 C ATOM 0 H ILE A 24 34.860 6.067 10.096 1.00 0.00 H new ATOM 0 HA ILE A 24 34.681 3.214 10.846 1.00 0.00 H new ATOM 0 HB ILE A 24 36.887 4.818 9.467 1.00 0.00 H new ATOM 0 HG12 ILE A 24 34.673 5.435 8.483 1.00 0.00 H new ATOM 0 HG13 ILE A 24 35.678 4.553 7.350 1.00 0.00 H new ATOM 0 HG21 ILE A 24 37.192 2.693 8.217 1.00 0.00 H new ATOM 0 HG22 ILE A 24 37.338 2.430 9.971 1.00 0.00 H new ATOM 0 HG23 ILE A 24 35.843 1.968 9.123 1.00 0.00 H new ATOM 0 HD11 ILE A 24 33.362 3.663 7.344 1.00 0.00 H new ATOM 0 HD12 ILE A 24 34.502 2.432 7.937 1.00 0.00 H new ATOM 0 HD13 ILE A 24 33.481 3.327 9.087 1.00 0.00 H new ATOM 386 N GLY A 25 36.939 5.202 12.140 1.00 0.00 N ATOM 387 CA GLY A 25 37.916 5.309 13.255 1.00 0.00 C ATOM 388 C GLY A 25 38.196 6.786 13.532 1.00 0.00 C ATOM 389 O GLY A 25 37.290 7.580 13.688 1.00 0.00 O ATOM 0 H GLY A 25 36.818 6.054 11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 25 37.521 4.827 14.149 1.00 0.00 H new ATOM 0 HA3 GLY A 25 38.840 4.793 12.996 1.00 0.00 H new ATOM 393 N THR A 26 39.443 7.165 13.588 1.00 0.00 N ATOM 394 CA THR A 26 39.775 8.596 13.848 1.00 0.00 C ATOM 395 C THR A 26 40.725 9.114 12.766 1.00 0.00 C ATOM 396 O THR A 26 41.501 8.369 12.201 1.00 0.00 O ATOM 397 CB THR A 26 40.455 8.608 15.218 1.00 0.00 C ATOM 398 OG1 THR A 26 41.715 7.957 15.125 1.00 0.00 O ATOM 399 CG2 THR A 26 39.577 7.879 16.237 1.00 0.00 C ATOM 0 H THR A 26 40.246 6.548 13.465 1.00 0.00 H new ATOM 0 HA THR A 26 38.893 9.237 13.833 1.00 0.00 H new ATOM 0 HB THR A 26 40.599 9.639 15.541 1.00 0.00 H new ATOM 0 HG1 THR A 26 42.153 7.965 16.002 1.00 0.00 H new ATOM 0 HG21 THR A 26 40.065 7.890 17.212 1.00 0.00 H new ATOM 0 HG22 THR A 26 38.611 8.379 16.309 1.00 0.00 H new ATOM 0 HG23 THR A 26 39.428 6.848 15.917 1.00 0.00 H new ATOM 407 N CYS A 27 40.667 10.382 12.464 1.00 0.00 N ATOM 408 CA CYS A 27 41.566 10.935 11.410 1.00 0.00 C ATOM 409 C CYS A 27 42.930 11.297 11.989 1.00 0.00 C ATOM 410 O CYS A 27 43.329 10.819 13.032 1.00 0.00 O ATOM 411 CB CYS A 27 40.862 12.188 10.894 1.00 0.00 C ATOM 412 SG CYS A 27 41.110 12.318 9.105 1.00 0.00 S ATOM 0 H CYS A 27 40.039 11.057 12.899 1.00 0.00 H new ATOM 0 HA CYS A 27 41.745 10.208 10.618 1.00 0.00 H new ATOM 0 HB2 CYS A 27 39.797 12.142 11.123 1.00 0.00 H new ATOM 0 HB3 CYS A 27 41.257 13.073 11.393 1.00 0.00 H new ATOM 417 N ASN A 28 43.646 12.134 11.300 1.00 0.00 N ATOM 418 CA ASN A 28 45.001 12.541 11.772 1.00 0.00 C ATOM 419 C ASN A 28 44.917 13.269 13.116 1.00 0.00 C ATOM 420 O ASN A 28 45.710 13.039 14.006 1.00 0.00 O ATOM 421 CB ASN A 28 45.524 13.480 10.687 1.00 0.00 C ATOM 422 CG ASN A 28 45.885 12.667 9.441 1.00 0.00 C ATOM 423 OD1 ASN A 28 45.554 13.051 8.337 1.00 0.00 O ATOM 424 ND2 ASN A 28 46.553 11.555 9.573 1.00 0.00 N ATOM 0 H ASN A 28 43.351 12.560 10.421 1.00 0.00 H new ATOM 0 HA ASN A 28 45.653 11.682 11.928 1.00 0.00 H new ATOM 0 HB2 ASN A 28 44.768 14.226 10.441 1.00 0.00 H new ATOM 0 HB3 ASN A 28 46.399 14.020 11.049 1.00 0.00 H new ATOM 0 HD21 ASN A 28 46.798 11.006 8.749 1.00 0.00 H new ATOM 0 HD22 ASN A 28 46.830 11.234 10.500 1.00 0.00 H new ATOM 431 N PHE A 29 43.970 14.150 13.268 1.00 0.00 N ATOM 432 CA PHE A 29 43.848 14.894 14.557 1.00 0.00 C ATOM 433 C PHE A 29 42.627 15.817 14.531 1.00 0.00 C ATOM 434 O PHE A 29 42.291 16.391 13.515 1.00 0.00 O ATOM 435 CB PHE A 29 45.139 15.709 14.657 1.00 0.00 C ATOM 436 CG PHE A 29 45.065 16.637 15.846 1.00 0.00 C ATOM 437 CD1 PHE A 29 45.339 16.154 17.132 1.00 0.00 C ATOM 438 CD2 PHE A 29 44.725 17.982 15.661 1.00 0.00 C ATOM 439 CE1 PHE A 29 45.272 17.017 18.233 1.00 0.00 C ATOM 440 CE2 PHE A 29 44.659 18.845 16.762 1.00 0.00 C ATOM 441 CZ PHE A 29 44.932 18.362 18.047 1.00 0.00 C ATOM 0 H PHE A 29 43.276 14.389 12.560 1.00 0.00 H new ATOM 0 HA PHE A 29 43.714 14.227 15.409 1.00 0.00 H new ATOM 0 HB2 PHE A 29 45.995 15.041 14.757 1.00 0.00 H new ATOM 0 HB3 PHE A 29 45.289 16.284 13.743 1.00 0.00 H new ATOM 0 HD1 PHE A 29 45.602 15.116 17.274 1.00 0.00 H new ATOM 0 HD2 PHE A 29 44.514 18.354 14.669 1.00 0.00 H new ATOM 0 HE1 PHE A 29 45.483 16.645 19.225 1.00 0.00 H new ATOM 0 HE2 PHE A 29 44.397 19.883 16.620 1.00 0.00 H new ATOM 0 HZ PHE A 29 44.880 19.028 18.896 1.00 0.00 H new ATOM 451 N ARG A 30 41.961 15.964 15.645 1.00 0.00 N ATOM 452 CA ARG A 30 40.761 16.848 15.691 1.00 0.00 C ATOM 453 C ARG A 30 39.781 16.469 14.579 1.00 0.00 C ATOM 454 O ARG A 30 38.925 17.244 14.200 1.00 0.00 O ATOM 455 CB ARG A 30 41.301 18.262 15.471 1.00 0.00 C ATOM 456 CG ARG A 30 40.215 19.282 15.824 1.00 0.00 C ATOM 457 CD ARG A 30 40.251 19.567 17.328 1.00 0.00 C ATOM 458 NE ARG A 30 41.559 20.243 17.557 1.00 0.00 N ATOM 459 CZ ARG A 30 41.754 20.935 18.646 1.00 0.00 C ATOM 460 NH1 ARG A 30 41.375 20.458 19.800 1.00 0.00 N ATOM 461 NH2 ARG A 30 42.329 22.105 18.582 1.00 0.00 N ATOM 0 H ARG A 30 42.197 15.509 16.527 1.00 0.00 H new ATOM 0 HA ARG A 30 40.220 16.760 16.633 1.00 0.00 H new ATOM 0 HB2 ARG A 30 42.184 18.426 16.089 1.00 0.00 H new ATOM 0 HB3 ARG A 30 41.610 18.388 14.433 1.00 0.00 H new ATOM 0 HG2 ARG A 30 40.372 20.204 15.265 1.00 0.00 H new ATOM 0 HG3 ARG A 30 39.235 18.899 15.539 1.00 0.00 H new ATOM 0 HD2 ARG A 30 39.419 20.203 17.630 1.00 0.00 H new ATOM 0 HD3 ARG A 30 40.175 18.647 17.907 1.00 0.00 H new ATOM 0 HE ARG A 30 42.302 20.165 16.863 1.00 0.00 H new ATOM 0 HH11 ARG A 30 40.926 19.544 19.851 1.00 0.00 H new ATOM 0 HH12 ARG A 30 41.528 21.000 20.651 1.00 0.00 H new ATOM 0 HH21 ARG A 30 42.626 22.479 17.681 1.00 0.00 H new ATOM 0 HH22 ARG A 30 42.481 22.646 19.433 1.00 0.00 H new ATOM 475 N PHE A 31 39.898 15.281 14.054 1.00 0.00 N ATOM 476 CA PHE A 31 38.973 14.852 12.968 1.00 0.00 C ATOM 477 C PHE A 31 38.760 13.336 13.028 1.00 0.00 C ATOM 478 O PHE A 31 39.591 12.604 13.530 1.00 0.00 O ATOM 479 CB PHE A 31 39.676 15.253 11.672 1.00 0.00 C ATOM 480 CG PHE A 31 39.775 16.759 11.603 1.00 0.00 C ATOM 481 CD1 PHE A 31 38.612 17.537 11.636 1.00 0.00 C ATOM 482 CD2 PHE A 31 41.027 17.376 11.506 1.00 0.00 C ATOM 483 CE1 PHE A 31 38.701 18.933 11.572 1.00 0.00 C ATOM 484 CE2 PHE A 31 41.117 18.772 11.441 1.00 0.00 C ATOM 485 CZ PHE A 31 39.953 19.550 11.474 1.00 0.00 C ATOM 0 H PHE A 31 40.594 14.589 14.330 1.00 0.00 H new ATOM 0 HA PHE A 31 37.988 15.311 13.052 1.00 0.00 H new ATOM 0 HB2 PHE A 31 40.671 14.809 11.632 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.123 14.874 10.813 1.00 0.00 H new ATOM 0 HD1 PHE A 31 37.646 17.061 11.711 1.00 0.00 H new ATOM 0 HD2 PHE A 31 41.924 16.775 11.481 1.00 0.00 H new ATOM 0 HE1 PHE A 31 37.804 19.533 11.598 1.00 0.00 H new ATOM 0 HE2 PHE A 31 42.083 19.248 11.365 1.00 0.00 H new ATOM 0 HZ PHE A 31 40.022 20.627 11.424 1.00 0.00 H new ATOM 495 N LYS A 32 37.652 12.860 12.529 1.00 0.00 N ATOM 496 CA LYS A 32 37.387 11.392 12.567 1.00 0.00 C ATOM 497 C LYS A 32 37.400 10.809 11.151 1.00 0.00 C ATOM 498 O LYS A 32 37.206 11.509 10.178 1.00 0.00 O ATOM 499 CB LYS A 32 35.994 11.255 13.183 1.00 0.00 C ATOM 500 CG LYS A 32 36.011 11.785 14.619 1.00 0.00 C ATOM 501 CD LYS A 32 34.603 11.688 15.213 1.00 0.00 C ATOM 502 CE LYS A 32 34.616 12.215 16.651 1.00 0.00 C ATOM 503 NZ LYS A 32 34.825 13.685 16.519 1.00 0.00 N ATOM 0 H LYS A 32 36.919 13.423 12.097 1.00 0.00 H new ATOM 0 HA LYS A 32 38.144 10.856 13.139 1.00 0.00 H new ATOM 0 HB2 LYS A 32 35.267 11.809 12.589 1.00 0.00 H new ATOM 0 HB3 LYS A 32 35.683 10.210 13.174 1.00 0.00 H new ATOM 0 HG2 LYS A 32 36.713 11.209 15.223 1.00 0.00 H new ATOM 0 HG3 LYS A 32 36.353 12.820 14.632 1.00 0.00 H new ATOM 0 HD2 LYS A 32 33.902 12.265 14.610 1.00 0.00 H new ATOM 0 HD3 LYS A 32 34.261 10.653 15.197 1.00 0.00 H new ATOM 0 HE2 LYS A 32 33.679 11.994 17.161 1.00 0.00 H new ATOM 0 HE3 LYS A 32 35.413 11.753 17.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 34.453 14.166 17.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 35.842 13.884 16.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 34.326 14.032 15.675 1.00 0.00 H new ATOM 517 N CYS A 33 37.622 9.529 11.032 1.00 0.00 N ATOM 518 CA CYS A 33 37.639 8.897 9.680 1.00 0.00 C ATOM 519 C CYS A 33 36.213 8.530 9.260 1.00 0.00 C ATOM 520 O CYS A 33 35.512 7.827 9.960 1.00 0.00 O ATOM 521 CB CYS A 33 38.491 7.637 9.844 1.00 0.00 C ATOM 522 SG CYS A 33 39.291 7.238 8.270 1.00 0.00 S ATOM 0 H CYS A 33 37.792 8.893 11.811 1.00 0.00 H new ATOM 0 HA CYS A 33 38.039 9.561 8.914 1.00 0.00 H new ATOM 0 HB2 CYS A 33 39.243 7.792 10.617 1.00 0.00 H new ATOM 0 HB3 CYS A 33 37.868 6.804 10.169 1.00 0.00 H new ATOM 527 N CYS A 34 35.775 9.005 8.125 1.00 0.00 N ATOM 528 CA CYS A 34 34.390 8.684 7.671 1.00 0.00 C ATOM 529 C CYS A 34 34.385 8.308 6.186 1.00 0.00 C ATOM 530 O CYS A 34 35.093 8.887 5.387 1.00 0.00 O ATOM 531 CB CYS A 34 33.592 9.968 7.898 1.00 0.00 C ATOM 532 SG CYS A 34 33.695 10.439 9.642 1.00 0.00 S ATOM 0 H CYS A 34 36.313 9.599 7.494 1.00 0.00 H new ATOM 0 HA CYS A 34 33.968 7.837 8.212 1.00 0.00 H new ATOM 0 HB2 CYS A 34 33.983 10.768 7.270 1.00 0.00 H new ATOM 0 HB3 CYS A 34 32.551 9.818 7.611 1.00 0.00 H new ATOM 537 N LYS A 35 33.587 7.344 5.812 1.00 0.00 N ATOM 538 CA LYS A 35 33.530 6.934 4.379 1.00 0.00 C ATOM 539 C LYS A 35 32.130 7.201 3.815 1.00 0.00 C ATOM 540 O LYS A 35 31.136 6.778 4.373 1.00 0.00 O ATOM 541 CB LYS A 35 33.830 5.434 4.383 1.00 0.00 C ATOM 542 CG LYS A 35 35.300 5.205 4.742 1.00 0.00 C ATOM 543 CD LYS A 35 35.620 3.709 4.659 1.00 0.00 C ATOM 544 CE LYS A 35 35.522 3.245 3.204 1.00 0.00 C ATOM 545 NZ LYS A 35 35.966 1.822 3.224 1.00 0.00 N ATOM 0 H LYS A 35 32.972 6.823 6.437 1.00 0.00 H new ATOM 0 HA LYS A 35 34.236 7.487 3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 35 33.186 4.926 5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 35 33.614 5.007 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 35 35.943 5.763 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 35 35.502 5.576 5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 35 36.621 3.519 5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 35 34.926 3.143 5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.503 3.336 2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 35 36.156 3.848 2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 35.927 1.432 2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 36.942 1.768 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 35.340 1.272 3.846 1.00 0.00 H new ATOM 559 N PHE A 36 32.042 7.902 2.717 1.00 0.00 N ATOM 560 CA PHE A 36 30.704 8.198 2.125 1.00 0.00 C ATOM 561 C PHE A 36 30.390 7.220 0.990 1.00 0.00 C ATOM 562 O PHE A 36 31.243 6.881 0.194 1.00 0.00 O ATOM 563 CB PHE A 36 30.819 9.622 1.582 1.00 0.00 C ATOM 564 CG PHE A 36 29.515 10.018 0.932 1.00 0.00 C ATOM 565 CD1 PHE A 36 28.419 10.383 1.725 1.00 0.00 C ATOM 566 CD2 PHE A 36 29.399 10.019 -0.463 1.00 0.00 C ATOM 567 CE1 PHE A 36 27.210 10.748 1.121 1.00 0.00 C ATOM 568 CE2 PHE A 36 28.189 10.383 -1.067 1.00 0.00 C ATOM 569 CZ PHE A 36 27.095 10.749 -0.273 1.00 0.00 C ATOM 0 H PHE A 36 32.837 8.283 2.204 1.00 0.00 H new ATOM 0 HA PHE A 36 29.903 8.099 2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 36 31.060 10.313 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 36 31.632 9.682 0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 36 28.507 10.383 2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 36 30.244 9.739 -1.074 1.00 0.00 H new ATOM 0 HE1 PHE A 36 26.365 11.029 1.732 1.00 0.00 H new ATOM 0 HE2 PHE A 36 28.100 10.381 -2.143 1.00 0.00 H new ATOM 0 HZ PHE A 36 26.162 11.032 -0.737 1.00 0.00 H new ATOM 579 N GLN A 37 29.168 6.768 0.906 1.00 0.00 N ATOM 580 CA GLN A 37 28.796 5.817 -0.180 1.00 0.00 C ATOM 581 C GLN A 37 28.928 6.499 -1.544 1.00 0.00 C ATOM 582 O GLN A 37 28.532 7.648 -1.651 1.00 0.00 O ATOM 583 CB GLN A 37 27.337 5.451 0.095 1.00 0.00 C ATOM 584 CG GLN A 37 27.242 4.680 1.412 1.00 0.00 C ATOM 585 CD GLN A 37 25.770 4.423 1.747 1.00 0.00 C ATOM 586 OE1 GLN A 37 25.410 3.340 2.164 1.00 0.00 O ATOM 587 NE2 GLN A 37 24.899 5.382 1.582 1.00 0.00 N ATOM 588 OXT GLN A 37 29.422 5.860 -2.459 1.00 0.00 O ATOM 0 H GLN A 37 28.411 7.016 1.543 1.00 0.00 H new ATOM 0 HA GLN A 37 29.440 4.938 -0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 37 26.728 6.354 0.146 1.00 0.00 H new ATOM 0 HB3 GLN A 37 26.943 4.846 -0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 37 27.778 3.735 1.332 1.00 0.00 H new ATOM 0 HG3 GLN A 37 27.715 5.248 2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 37 25.202 6.291 1.232 1.00 0.00 H new ATOM 0 HE22 GLN A 37 23.916 5.222 1.803 1.00 0.00 H new TER 597 GLN A 37