USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 276 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 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.147 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 25:sc= -0.953 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 30:sc= -0.968 USER MOD Single : A 32 SER OG : rot -74:sc= -0.218 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 67 N LEU A 5 7.374 -5.464 1.558 1.00 0.00 N ATOM 68 CA LEU A 5 6.197 -5.000 2.283 1.00 0.00 C ATOM 69 C LEU A 5 5.026 -5.959 2.091 1.00 0.00 C ATOM 70 O LEU A 5 4.609 -6.227 0.964 1.00 0.00 O ATOM 71 CB LEU A 5 5.803 -3.597 1.814 1.00 0.00 C ATOM 72 CG LEU A 5 6.701 -2.469 2.322 1.00 0.00 C ATOM 73 CD1 LEU A 5 6.429 -1.185 1.554 1.00 0.00 C ATOM 74 CD2 LEU A 5 6.494 -2.254 3.814 1.00 0.00 C ATOM 0 HA LEU A 5 6.445 -4.965 3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.806 -3.581 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.780 -3.398 2.133 1.00 0.00 H new ATOM 0 HG LEU A 5 7.740 -2.754 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.077 -0.393 1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.628 -1.346 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.387 -0.895 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.141 -1.447 4.159 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.453 -1.990 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.739 -3.170 4.351 1.00 0.00 H new ATOM 86 N PHE A 6 4.500 -6.471 3.198 1.00 0.00 N ATOM 87 CA PHE A 6 3.377 -7.400 3.153 1.00 0.00 C ATOM 88 C PHE A 6 2.073 -6.693 3.510 1.00 0.00 C ATOM 89 O PHE A 6 2.075 -5.529 3.909 1.00 0.00 O ATOM 90 CB PHE A 6 3.616 -8.569 4.111 1.00 0.00 C ATOM 91 CG PHE A 6 2.901 -9.828 3.711 1.00 0.00 C ATOM 92 CD1 PHE A 6 2.986 -10.307 2.413 1.00 0.00 C ATOM 93 CD2 PHE A 6 2.143 -10.533 4.633 1.00 0.00 C ATOM 94 CE1 PHE A 6 2.330 -11.466 2.043 1.00 0.00 C ATOM 95 CE2 PHE A 6 1.485 -11.691 4.268 1.00 0.00 C ATOM 96 CZ PHE A 6 1.579 -12.158 2.971 1.00 0.00 C ATOM 0 H PHE A 6 4.834 -6.258 4.138 1.00 0.00 H new ATOM 0 HA PHE A 6 3.295 -7.784 2.136 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.686 -8.770 4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.294 -8.280 5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.571 -9.768 1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.066 -10.173 5.648 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.405 -11.830 1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.897 -12.231 4.996 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.065 -13.064 2.684 1.00 0.00 H new ATOM 106 N ARG A 7 0.959 -7.406 3.363 1.00 0.00 N ATOM 107 CA ARG A 7 -0.353 -6.846 3.672 1.00 0.00 C ATOM 108 C ARG A 7 -0.410 -6.353 5.114 1.00 0.00 C ATOM 109 O ARG A 7 0.033 -7.041 6.033 1.00 0.00 O ATOM 110 CB ARG A 7 -1.446 -7.888 3.434 1.00 0.00 C ATOM 111 CG ARG A 7 -1.106 -9.265 3.983 1.00 0.00 C ATOM 112 CD ARG A 7 -2.081 -9.693 5.069 1.00 0.00 C ATOM 113 NE ARG A 7 -1.623 -10.885 5.778 1.00 0.00 N ATOM 114 CZ ARG A 7 -2.079 -11.260 6.971 1.00 0.00 C ATOM 115 NH1 ARG A 7 -3.003 -10.540 7.592 1.00 0.00 N ATOM 116 NH2 ARG A 7 -1.608 -12.359 7.544 1.00 0.00 N ATOM 0 H ARG A 7 0.939 -8.371 3.032 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.521 -5.996 3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.372 -7.542 3.893 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.632 -7.969 2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.121 -9.994 3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.093 -9.257 4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.213 -8.877 5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.056 -9.889 4.624 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.912 -11.464 5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.368 -9.694 7.156 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.348 -10.833 8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.897 -12.916 7.071 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.957 -12.647 8.458 1.00 0.00 H new ATOM 130 N GLY A 8 -0.956 -5.157 5.302 1.00 0.00 N ATOM 131 CA GLY A 8 -1.059 -4.590 6.634 1.00 0.00 C ATOM 132 C GLY A 8 0.216 -3.893 7.066 1.00 0.00 C ATOM 133 O GLY A 8 0.483 -3.756 8.261 1.00 0.00 O ATOM 0 H GLY A 8 -1.329 -4.570 4.556 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.885 -3.879 6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.296 -5.381 7.345 1.00 0.00 H new ATOM 137 N ALA A 9 1.006 -3.452 6.093 1.00 0.00 N ATOM 138 CA ALA A 9 2.260 -2.766 6.379 1.00 0.00 C ATOM 139 C ALA A 9 2.139 -1.270 6.108 1.00 0.00 C ATOM 140 O ALA A 9 1.129 -0.804 5.579 1.00 0.00 O ATOM 141 CB ALA A 9 3.388 -3.364 5.552 1.00 0.00 C ATOM 0 H ALA A 9 0.800 -3.557 5.100 1.00 0.00 H new ATOM 0 HA ALA A 9 2.488 -2.901 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.319 -2.843 5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.497 -4.421 5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.158 -3.258 4.492 1.00 0.00 H new ATOM 147 N ARG A 10 3.174 -0.522 6.475 1.00 0.00 N ATOM 148 CA ARG A 10 3.183 0.922 6.272 1.00 0.00 C ATOM 149 C ARG A 10 4.028 1.297 5.058 1.00 0.00 C ATOM 150 O ARG A 10 5.216 0.980 4.994 1.00 0.00 O ATOM 151 CB ARG A 10 3.713 1.629 7.521 1.00 0.00 C ATOM 152 CG ARG A 10 2.864 2.815 7.954 1.00 0.00 C ATOM 153 CD ARG A 10 2.492 2.734 9.427 1.00 0.00 C ATOM 154 NE ARG A 10 3.261 3.675 10.238 1.00 0.00 N ATOM 155 CZ ARG A 10 2.906 4.061 11.462 1.00 0.00 C ATOM 156 NH1 ARG A 10 1.797 3.589 12.019 1.00 0.00 N ATOM 157 NH2 ARG A 10 3.662 4.920 12.131 1.00 0.00 N ATOM 0 H ARG A 10 4.017 -0.892 6.914 1.00 0.00 H new ATOM 0 HA ARG A 10 2.158 1.246 6.089 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.765 0.912 8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.730 1.971 7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.409 3.740 7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.957 2.852 7.351 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.428 2.940 9.544 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.662 1.720 9.789 1.00 0.00 H new ATOM 0 HE ARG A 10 4.120 4.059 9.844 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.212 2.927 11.509 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.530 3.888 12.957 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.515 5.285 11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.390 5.216 13.069 1.00 0.00 H new ATOM 171 N CYS A 11 3.406 1.976 4.101 1.00 0.00 N ATOM 172 CA CYS A 11 4.097 2.399 2.888 1.00 0.00 C ATOM 173 C CYS A 11 3.552 3.736 2.398 1.00 0.00 C ATOM 174 O CYS A 11 2.355 4.006 2.508 1.00 0.00 O ATOM 175 CB CYS A 11 3.947 1.340 1.794 1.00 0.00 C ATOM 176 SG CYS A 11 2.232 0.784 1.527 1.00 0.00 S ATOM 0 H CYS A 11 2.423 2.246 4.141 1.00 0.00 H new ATOM 0 HA CYS A 11 5.155 2.519 3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.337 1.741 0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.561 0.477 2.052 1.00 0.00 H new ATOM 181 N ARG A 12 4.433 4.572 1.859 1.00 0.00 N ATOM 182 CA ARG A 12 4.031 5.880 1.356 1.00 0.00 C ATOM 183 C ARG A 12 4.089 5.925 -0.167 1.00 0.00 C ATOM 184 O ARG A 12 4.653 5.037 -0.805 1.00 0.00 O ATOM 185 CB ARG A 12 4.917 6.977 1.950 1.00 0.00 C ATOM 186 CG ARG A 12 6.373 6.893 1.514 1.00 0.00 C ATOM 187 CD ARG A 12 7.305 6.680 2.699 1.00 0.00 C ATOM 188 NE ARG A 12 7.777 5.299 2.787 1.00 0.00 N ATOM 189 CZ ARG A 12 7.183 4.351 3.511 1.00 0.00 C ATOM 190 NH1 ARG A 12 6.082 4.621 4.204 1.00 0.00 N ATOM 191 NH2 ARG A 12 7.690 3.127 3.539 1.00 0.00 N ATOM 0 H ARG A 12 5.427 4.368 1.759 1.00 0.00 H new ATOM 0 HA ARG A 12 3.000 6.054 1.663 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.517 7.949 1.663 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.869 6.921 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.494 6.074 0.805 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.650 7.810 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.160 7.350 2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.786 6.944 3.620 1.00 0.00 H new ATOM 0 HE ARG A 12 8.613 5.045 2.261 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.685 5.560 4.185 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.634 3.889 4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.533 2.912 3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.237 2.400 4.093 1.00 0.00 H new ATOM 205 N VAL A 13 3.496 6.965 -0.742 1.00 0.00 N ATOM 206 CA VAL A 13 3.471 7.131 -2.191 1.00 0.00 C ATOM 207 C VAL A 13 4.879 7.142 -2.779 1.00 0.00 C ATOM 208 O VAL A 13 5.157 6.462 -3.766 1.00 0.00 O ATOM 209 CB VAL A 13 2.760 8.438 -2.598 1.00 0.00 C ATOM 210 CG1 VAL A 13 1.269 8.348 -2.330 1.00 0.00 C ATOM 211 CG2 VAL A 13 3.361 9.629 -1.868 1.00 0.00 C ATOM 0 H VAL A 13 3.025 7.708 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 13 2.920 6.278 -2.587 1.00 0.00 H new ATOM 0 HB VAL A 13 2.907 8.582 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.789 9.281 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.845 7.525 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.100 8.173 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.844 10.540 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.251 9.490 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.419 9.712 -2.117 1.00 0.00 H new ATOM 221 N TYR A 14 5.756 7.936 -2.175 1.00 0.00 N ATOM 222 CA TYR A 14 7.132 8.063 -2.644 1.00 0.00 C ATOM 223 C TYR A 14 8.059 7.053 -1.969 1.00 0.00 C ATOM 224 O TYR A 14 9.269 7.270 -1.892 1.00 0.00 O ATOM 225 CB TYR A 14 7.626 9.489 -2.397 1.00 0.00 C ATOM 226 CG TYR A 14 6.567 10.533 -2.675 1.00 0.00 C ATOM 227 CD1 TYR A 14 6.028 10.680 -3.947 1.00 0.00 C ATOM 228 CD2 TYR A 14 6.091 11.355 -1.661 1.00 0.00 C ATOM 229 CE1 TYR A 14 5.046 11.619 -4.202 1.00 0.00 C ATOM 230 CE2 TYR A 14 5.110 12.298 -1.909 1.00 0.00 C ATOM 231 CZ TYR A 14 4.591 12.425 -3.180 1.00 0.00 C ATOM 232 OH TYR A 14 3.613 13.360 -3.430 1.00 0.00 O ATOM 0 H TYR A 14 5.538 8.504 -1.356 1.00 0.00 H new ATOM 0 HA TYR A 14 7.147 7.850 -3.713 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.956 9.580 -1.362 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.494 9.682 -3.027 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.382 10.050 -4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.493 11.256 -0.664 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.637 11.721 -5.197 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.752 12.932 -1.111 1.00 0.00 H new ATOM 0 HH TYR A 14 3.405 13.844 -2.604 1.00 0.00 H new ATOM 242 N SER A 15 7.494 5.951 -1.484 1.00 0.00 N ATOM 243 CA SER A 15 8.286 4.918 -0.823 1.00 0.00 C ATOM 244 C SER A 15 9.303 4.317 -1.787 1.00 0.00 C ATOM 245 O SER A 15 9.277 4.596 -2.986 1.00 0.00 O ATOM 246 CB SER A 15 7.378 3.815 -0.275 1.00 0.00 C ATOM 247 OG SER A 15 8.037 3.064 0.730 1.00 0.00 O ATOM 0 H SER A 15 6.495 5.751 -1.536 1.00 0.00 H new ATOM 0 HA SER A 15 8.821 5.382 0.006 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.470 4.257 0.134 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.073 3.154 -1.086 1.00 0.00 H new ATOM 0 HG SER A 15 7.435 2.367 1.065 1.00 0.00 H new ATOM 253 N GLY A 16 10.196 3.487 -1.258 1.00 0.00 N ATOM 254 CA GLY A 16 11.205 2.858 -2.088 1.00 0.00 C ATOM 255 C GLY A 16 10.609 1.860 -3.060 1.00 0.00 C ATOM 256 O GLY A 16 9.701 2.192 -3.821 1.00 0.00 O ATOM 0 H GLY A 16 10.238 3.239 -0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.745 3.625 -2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.932 2.353 -1.452 1.00 0.00 H new ATOM 260 N ARG A 17 11.119 0.634 -3.033 1.00 0.00 N ATOM 261 CA ARG A 17 10.626 -0.415 -3.919 1.00 0.00 C ATOM 262 C ARG A 17 9.153 -0.705 -3.646 1.00 0.00 C ATOM 263 O ARG A 17 8.623 -0.340 -2.598 1.00 0.00 O ATOM 264 CB ARG A 17 11.452 -1.691 -3.741 1.00 0.00 C ATOM 265 CG ARG A 17 11.402 -2.260 -2.331 1.00 0.00 C ATOM 266 CD ARG A 17 12.629 -1.863 -1.525 1.00 0.00 C ATOM 267 NE ARG A 17 12.314 -0.866 -0.504 1.00 0.00 N ATOM 268 CZ ARG A 17 13.225 -0.092 0.082 1.00 0.00 C ATOM 269 NH1 ARG A 17 14.506 -0.197 -0.246 1.00 0.00 N ATOM 270 NH2 ARG A 17 12.852 0.789 1.000 1.00 0.00 N ATOM 0 H ARG A 17 11.871 0.342 -2.409 1.00 0.00 H new ATOM 0 HA ARG A 17 10.726 -0.068 -4.947 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.094 -2.446 -4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.489 -1.481 -4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.504 -1.905 -1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.333 -3.347 -2.378 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.052 -2.748 -1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.391 -1.467 -2.196 1.00 0.00 H new ATOM 0 HE ARG A 17 11.339 -0.757 -0.224 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.798 -0.874 -0.951 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.199 0.399 0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.868 0.873 1.256 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.549 1.383 1.450 1.00 0.00 H new ATOM 284 N SER A 18 8.498 -1.360 -4.598 1.00 0.00 N ATOM 285 CA SER A 18 7.085 -1.696 -4.457 1.00 0.00 C ATOM 286 C SER A 18 6.884 -2.771 -3.394 1.00 0.00 C ATOM 287 O SER A 18 7.849 -3.287 -2.830 1.00 0.00 O ATOM 288 CB SER A 18 6.516 -2.171 -5.796 1.00 0.00 C ATOM 289 OG SER A 18 6.456 -1.108 -6.731 1.00 0.00 O ATOM 0 H SER A 18 8.921 -1.668 -5.474 1.00 0.00 H new ATOM 0 HA SER A 18 6.553 -0.798 -4.143 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.136 -2.974 -6.194 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.518 -2.583 -5.645 1.00 0.00 H new ATOM 0 HG SER A 18 6.091 -1.438 -7.578 1.00 0.00 H new ATOM 295 N CYS A 19 5.625 -3.104 -3.127 1.00 0.00 N ATOM 296 CA CYS A 19 5.300 -4.118 -2.131 1.00 0.00 C ATOM 297 C CYS A 19 5.703 -5.506 -2.619 1.00 0.00 C ATOM 298 O CYS A 19 6.289 -5.652 -3.692 1.00 0.00 O ATOM 299 CB CYS A 19 3.802 -4.093 -1.816 1.00 0.00 C ATOM 300 SG CYS A 19 3.349 -2.980 -0.447 1.00 0.00 S ATOM 0 H CYS A 19 4.815 -2.687 -3.586 1.00 0.00 H new ATOM 0 HA CYS A 19 5.860 -3.892 -1.223 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.258 -3.791 -2.711 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.476 -5.104 -1.571 1.00 0.00 H new ATOM 305 N CYS A 20 5.386 -6.523 -1.825 1.00 0.00 N ATOM 306 CA CYS A 20 5.717 -7.899 -2.177 1.00 0.00 C ATOM 307 C CYS A 20 5.069 -8.292 -3.502 1.00 0.00 C ATOM 308 O CYS A 20 4.179 -7.601 -3.998 1.00 0.00 O ATOM 309 CB CYS A 20 5.262 -8.854 -1.073 1.00 0.00 C ATOM 310 SG CYS A 20 6.166 -8.658 0.498 1.00 0.00 S ATOM 0 H CYS A 20 4.901 -6.421 -0.934 1.00 0.00 H new ATOM 0 HA CYS A 20 6.799 -7.969 -2.286 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.199 -8.700 -0.890 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.380 -9.880 -1.423 1.00 0.00 H new ATOM 0 HG CYS A 20 6.645 -7.452 0.576 1.00 0.00 H new ATOM 315 N PHE A 21 5.524 -9.403 -4.071 1.00 0.00 N ATOM 316 CA PHE A 21 4.989 -9.887 -5.339 1.00 0.00 C ATOM 317 C PHE A 21 3.493 -10.165 -5.226 1.00 0.00 C ATOM 318 O PHE A 21 3.061 -10.961 -4.392 1.00 0.00 O ATOM 319 CB PHE A 21 5.724 -11.153 -5.778 1.00 0.00 C ATOM 320 CG PHE A 21 5.996 -11.207 -7.255 1.00 0.00 C ATOM 321 CD1 PHE A 21 7.048 -10.492 -7.805 1.00 0.00 C ATOM 322 CD2 PHE A 21 5.199 -11.971 -8.093 1.00 0.00 C ATOM 323 CE1 PHE A 21 7.300 -10.538 -9.163 1.00 0.00 C ATOM 324 CE2 PHE A 21 5.446 -12.020 -9.452 1.00 0.00 C ATOM 325 CZ PHE A 21 6.498 -11.304 -9.988 1.00 0.00 C ATOM 0 H PHE A 21 6.262 -9.985 -3.675 1.00 0.00 H new ATOM 0 HA PHE A 21 5.141 -9.111 -6.089 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.670 -11.220 -5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.133 -12.024 -5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.678 -9.892 -7.165 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.376 -12.534 -7.679 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.123 -9.976 -9.579 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.817 -12.618 -10.094 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.694 -11.342 -11.049 1.00 0.00 H new ATOM 335 N GLY A 22 2.708 -9.504 -6.070 1.00 0.00 N ATOM 336 CA GLY A 22 1.269 -9.694 -6.047 1.00 0.00 C ATOM 337 C GLY A 22 0.556 -8.647 -5.211 1.00 0.00 C ATOM 338 O GLY A 22 -0.645 -8.431 -5.369 1.00 0.00 O ATOM 0 H GLY A 22 3.042 -8.841 -6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.886 -9.662 -7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.043 -10.685 -5.652 1.00 0.00 H new ATOM 342 N TYR A 23 1.298 -7.995 -4.320 1.00 0.00 N ATOM 343 CA TYR A 23 0.728 -6.967 -3.456 1.00 0.00 C ATOM 344 C TYR A 23 1.183 -5.578 -3.893 1.00 0.00 C ATOM 345 O TYR A 23 2.169 -5.437 -4.616 1.00 0.00 O ATOM 346 CB TYR A 23 1.131 -7.214 -2.001 1.00 0.00 C ATOM 347 CG TYR A 23 0.533 -8.472 -1.409 1.00 0.00 C ATOM 348 CD1 TYR A 23 0.784 -9.716 -1.975 1.00 0.00 C ATOM 349 CD2 TYR A 23 -0.282 -8.414 -0.286 1.00 0.00 C ATOM 350 CE1 TYR A 23 0.239 -10.867 -1.438 1.00 0.00 C ATOM 351 CE2 TYR A 23 -0.830 -9.561 0.257 1.00 0.00 C ATOM 352 CZ TYR A 23 -0.567 -10.784 -0.322 1.00 0.00 C ATOM 353 OH TYR A 23 -1.111 -11.928 0.216 1.00 0.00 O ATOM 0 H TYR A 23 2.294 -8.160 -4.178 1.00 0.00 H new ATOM 0 HA TYR A 23 -0.358 -7.018 -3.538 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.218 -7.275 -1.940 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.825 -6.359 -1.398 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.415 -9.785 -2.849 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.491 -7.458 0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.443 -11.826 -1.890 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -1.461 -9.499 1.131 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.652 -11.696 0.999 1.00 0.00 H new ATOM 363 N TYR A 24 0.458 -4.556 -3.449 1.00 0.00 N ATOM 364 CA TYR A 24 0.789 -3.178 -3.794 1.00 0.00 C ATOM 365 C TYR A 24 0.417 -2.230 -2.658 1.00 0.00 C ATOM 366 O TYR A 24 -0.192 -2.638 -1.670 1.00 0.00 O ATOM 367 CB TYR A 24 0.074 -2.765 -5.085 1.00 0.00 C ATOM 368 CG TYR A 24 -1.424 -2.607 -4.934 1.00 0.00 C ATOM 369 CD1 TYR A 24 -2.213 -3.659 -4.485 1.00 0.00 C ATOM 370 CD2 TYR A 24 -2.047 -1.404 -5.240 1.00 0.00 C ATOM 371 CE1 TYR A 24 -3.580 -3.516 -4.346 1.00 0.00 C ATOM 372 CE2 TYR A 24 -3.414 -1.253 -5.103 1.00 0.00 C ATOM 373 CZ TYR A 24 -4.175 -2.312 -4.657 1.00 0.00 C ATOM 374 OH TYR A 24 -5.537 -2.166 -4.519 1.00 0.00 O ATOM 0 H TYR A 24 -0.362 -4.656 -2.850 1.00 0.00 H new ATOM 0 HA TYR A 24 1.866 -3.116 -3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.495 -1.823 -5.436 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.275 -3.511 -5.854 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.750 -4.604 -4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.453 -0.573 -5.591 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.179 -4.343 -3.995 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.883 -0.311 -5.344 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.857 -2.747 -3.797 1.00 0.00 H new ATOM 384 N CYS A 25 0.790 -0.961 -2.806 1.00 0.00 N ATOM 385 CA CYS A 25 0.496 0.042 -1.789 1.00 0.00 C ATOM 386 C CYS A 25 -0.622 0.974 -2.247 1.00 0.00 C ATOM 387 O CYS A 25 -0.765 1.251 -3.438 1.00 0.00 O ATOM 388 CB CYS A 25 1.751 0.854 -1.467 1.00 0.00 C ATOM 389 SG CYS A 25 1.583 1.938 -0.012 1.00 0.00 S ATOM 0 H CYS A 25 1.295 -0.605 -3.618 1.00 0.00 H new ATOM 0 HA CYS A 25 0.165 -0.477 -0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.582 0.168 -1.302 1.00 0.00 H new ATOM 0 HB3 CYS A 25 2.008 1.464 -2.333 1.00 0.00 H new ATOM 394 N ARG A 26 -1.411 1.455 -1.291 1.00 0.00 N ATOM 395 CA ARG A 26 -2.516 2.359 -1.593 1.00 0.00 C ATOM 396 C ARG A 26 -2.619 3.460 -0.543 1.00 0.00 C ATOM 397 O ARG A 26 -2.433 3.214 0.649 1.00 0.00 O ATOM 398 CB ARG A 26 -3.832 1.582 -1.663 1.00 0.00 C ATOM 399 CG ARG A 26 -4.023 0.825 -2.966 1.00 0.00 C ATOM 400 CD ARG A 26 -5.497 0.635 -3.289 1.00 0.00 C ATOM 401 NE ARG A 26 -6.190 1.912 -3.454 1.00 0.00 N ATOM 402 CZ ARG A 26 -6.140 2.644 -4.564 1.00 0.00 C ATOM 403 NH1 ARG A 26 -5.430 2.235 -5.608 1.00 0.00 N ATOM 404 NH2 ARG A 26 -6.804 3.790 -4.631 1.00 0.00 N ATOM 0 H ARG A 26 -1.306 1.234 -0.301 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.322 2.821 -2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.872 0.876 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.662 2.276 -1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.539 1.368 -3.778 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.536 -0.148 -2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.595 0.048 -4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.973 0.065 -2.491 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.744 2.262 -2.672 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.918 1.354 -5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.397 2.802 -6.455 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.352 4.109 -3.832 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.767 4.352 -5.481 1.00 0.00 H new ATOM 418 N ARG A 27 -2.918 4.674 -0.993 1.00 0.00 N ATOM 419 CA ARG A 27 -3.046 5.811 -0.090 1.00 0.00 C ATOM 420 C ARG A 27 -4.385 5.772 0.644 1.00 0.00 C ATOM 421 O ARG A 27 -5.244 4.945 0.343 1.00 0.00 O ATOM 422 CB ARG A 27 -2.911 7.125 -0.863 1.00 0.00 C ATOM 423 CG ARG A 27 -4.052 7.383 -1.835 1.00 0.00 C ATOM 424 CD ARG A 27 -3.749 8.557 -2.751 1.00 0.00 C ATOM 425 NE ARG A 27 -2.409 8.473 -3.325 1.00 0.00 N ATOM 426 CZ ARG A 27 -2.066 7.621 -4.288 1.00 0.00 C ATOM 427 NH1 ARG A 27 -2.962 6.775 -4.785 1.00 0.00 N ATOM 428 NH2 ARG A 27 -0.826 7.612 -4.756 1.00 0.00 N ATOM 0 H ARG A 27 -3.076 4.895 -1.976 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.245 5.750 0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.857 7.950 -0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.971 7.117 -1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.230 6.490 -2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.968 7.582 -1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.486 8.590 -3.554 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.846 9.487 -2.192 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.693 9.105 -2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.918 6.777 -4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.694 6.124 -5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.134 8.259 -4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.564 6.959 -5.494 1.00 0.00 H new ATOM 442 N ASP A 28 -4.551 6.671 1.608 1.00 0.00 N ATOM 443 CA ASP A 28 -5.784 6.740 2.384 1.00 0.00 C ATOM 444 C ASP A 28 -6.916 7.345 1.562 1.00 0.00 C ATOM 445 O ASP A 28 -7.847 6.646 1.160 1.00 0.00 O ATOM 446 CB ASP A 28 -5.563 7.565 3.654 1.00 0.00 C ATOM 447 CG ASP A 28 -4.753 6.819 4.695 1.00 0.00 C ATOM 448 OD1 ASP A 28 -3.907 5.987 4.305 1.00 0.00 O ATOM 449 OD2 ASP A 28 -4.964 7.067 5.901 1.00 0.00 O ATOM 0 H ASP A 28 -3.848 7.362 1.871 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.066 5.724 2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.052 8.493 3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.529 7.840 4.078 1.00 0.00 H new ATOM 454 N PHE A 29 -6.833 8.648 1.317 1.00 0.00 N ATOM 455 CA PHE A 29 -7.853 9.350 0.545 1.00 0.00 C ATOM 456 C PHE A 29 -7.224 10.435 -0.329 1.00 0.00 C ATOM 457 O PHE A 29 -6.086 10.842 -0.100 1.00 0.00 O ATOM 458 CB PHE A 29 -8.896 9.971 1.479 1.00 0.00 C ATOM 459 CG PHE A 29 -8.312 10.550 2.736 1.00 0.00 C ATOM 460 CD1 PHE A 29 -7.748 11.816 2.734 1.00 0.00 C ATOM 461 CD2 PHE A 29 -8.329 9.830 3.919 1.00 0.00 C ATOM 462 CE1 PHE A 29 -7.210 12.351 3.890 1.00 0.00 C ATOM 463 CE2 PHE A 29 -7.793 10.360 5.078 1.00 0.00 C ATOM 464 CZ PHE A 29 -7.234 11.622 5.063 1.00 0.00 C ATOM 0 H PHE A 29 -6.069 9.241 1.642 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.344 8.625 -0.104 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.430 10.755 0.942 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.630 9.211 1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.729 12.391 1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.766 8.843 3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.771 13.338 3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -7.812 9.788 5.994 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.816 12.039 5.967 1.00 0.00 H new ATOM 474 N PRO A 30 -7.961 10.919 -1.344 1.00 0.00 N ATOM 475 CA PRO A 30 -7.470 11.961 -2.251 1.00 0.00 C ATOM 476 C PRO A 30 -6.766 13.096 -1.512 1.00 0.00 C ATOM 477 O PRO A 30 -7.411 13.928 -0.873 1.00 0.00 O ATOM 478 CB PRO A 30 -8.747 12.463 -2.920 1.00 0.00 C ATOM 479 CG PRO A 30 -9.651 11.279 -2.934 1.00 0.00 C ATOM 480 CD PRO A 30 -9.332 10.491 -1.689 1.00 0.00 C ATOM 0 HA PRO A 30 -6.724 11.581 -2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.187 13.292 -2.365 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.551 12.824 -3.929 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.696 11.588 -2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.490 10.677 -3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.034 10.711 -0.885 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.382 9.417 -1.871 1.00 0.00 H new ATOM 488 N GLY A 31 -5.441 13.121 -1.604 1.00 0.00 N ATOM 489 CA GLY A 31 -4.668 14.153 -0.939 1.00 0.00 C ATOM 490 C GLY A 31 -3.830 13.605 0.199 1.00 0.00 C ATOM 491 O GLY A 31 -3.528 14.317 1.157 1.00 0.00 O ATOM 0 H GLY A 31 -4.888 12.443 -2.128 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.016 14.639 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.343 14.917 -0.554 1.00 0.00 H new ATOM 495 N SER A 32 -3.457 12.333 0.095 1.00 0.00 N ATOM 496 CA SER A 32 -2.651 11.684 1.124 1.00 0.00 C ATOM 497 C SER A 32 -1.240 11.407 0.617 1.00 0.00 C ATOM 498 O SER A 32 -0.998 11.377 -0.590 1.00 0.00 O ATOM 499 CB SER A 32 -3.309 10.377 1.563 1.00 0.00 C ATOM 500 OG SER A 32 -3.961 9.746 0.477 1.00 0.00 O ATOM 0 H SER A 32 -3.700 11.731 -0.692 1.00 0.00 H new ATOM 0 HA SER A 32 -2.585 12.358 1.978 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.555 9.708 1.977 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.029 10.577 2.357 1.00 0.00 H new ATOM 0 HG SER A 32 -4.784 10.232 0.262 1.00 0.00 H new ATOM 506 N ILE A 33 -0.312 11.200 1.547 1.00 0.00 N ATOM 507 CA ILE A 33 1.073 10.922 1.194 1.00 0.00 C ATOM 508 C ILE A 33 1.493 9.529 1.665 1.00 0.00 C ATOM 509 O ILE A 33 2.330 8.880 1.036 1.00 0.00 O ATOM 510 CB ILE A 33 2.027 11.982 1.786 1.00 0.00 C ATOM 511 CG1 ILE A 33 3.479 11.668 1.413 1.00 0.00 C ATOM 512 CG2 ILE A 33 1.865 12.068 3.296 1.00 0.00 C ATOM 513 CD1 ILE A 33 4.426 12.827 1.640 1.00 0.00 C ATOM 0 H ILE A 33 -0.496 11.220 2.550 1.00 0.00 H new ATOM 0 HA ILE A 33 1.141 10.961 0.107 1.00 0.00 H new ATOM 0 HB ILE A 33 1.767 12.952 1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.819 10.812 1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.521 11.375 0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.546 12.821 3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.839 12.345 3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.094 11.100 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.436 12.533 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.111 13.678 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.414 13.106 2.694 1.00 0.00 H new ATOM 525 N PHE A 34 0.903 9.070 2.766 1.00 0.00 N ATOM 526 CA PHE A 34 1.212 7.751 3.310 1.00 0.00 C ATOM 527 C PHE A 34 -0.025 6.858 3.306 1.00 0.00 C ATOM 528 O PHE A 34 -1.151 7.340 3.431 1.00 0.00 O ATOM 529 CB PHE A 34 1.765 7.866 4.733 1.00 0.00 C ATOM 530 CG PHE A 34 3.223 8.226 4.790 1.00 0.00 C ATOM 531 CD1 PHE A 34 3.703 9.340 4.122 1.00 0.00 C ATOM 532 CD2 PHE A 34 4.113 7.450 5.515 1.00 0.00 C ATOM 533 CE1 PHE A 34 5.043 9.673 4.174 1.00 0.00 C ATOM 534 CE2 PHE A 34 5.455 7.778 5.572 1.00 0.00 C ATOM 535 CZ PHE A 34 5.920 8.891 4.901 1.00 0.00 C ATOM 0 H PHE A 34 0.208 9.593 3.299 1.00 0.00 H new ATOM 0 HA PHE A 34 1.972 7.299 2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.193 8.619 5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.614 6.918 5.249 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.022 9.956 3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.754 6.578 6.042 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.405 10.544 3.647 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.138 7.164 6.141 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.968 9.150 4.944 1.00 0.00 H new ATOM 545 N GLY A 35 0.193 5.554 3.160 1.00 0.00 N ATOM 546 CA GLY A 35 -0.915 4.616 3.143 1.00 0.00 C ATOM 547 C GLY A 35 -0.531 3.253 3.685 1.00 0.00 C ATOM 548 O GLY A 35 0.379 3.138 4.507 1.00 0.00 O ATOM 0 H GLY A 35 1.115 5.131 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.737 5.020 3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.279 4.508 2.121 1.00 0.00 H new ATOM 552 N THR A 36 -1.225 2.218 3.223 1.00 0.00 N ATOM 553 CA THR A 36 -0.953 0.856 3.665 1.00 0.00 C ATOM 554 C THR A 36 -0.731 -0.070 2.474 1.00 0.00 C ATOM 555 O THR A 36 -1.036 0.284 1.334 1.00 0.00 O ATOM 556 CB THR A 36 -2.107 0.335 4.524 1.00 0.00 C ATOM 557 OG1 THR A 36 -2.821 1.409 5.108 1.00 0.00 O ATOM 558 CG2 THR A 36 -1.655 -0.578 5.642 1.00 0.00 C ATOM 0 H THR A 36 -1.980 2.297 2.542 1.00 0.00 H new ATOM 0 HA THR A 36 -0.042 0.871 4.264 1.00 0.00 H new ATOM 0 HB THR A 36 -2.739 -0.236 3.844 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.556 1.056 5.652 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.522 -0.912 6.212 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.143 -1.443 5.221 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.974 -0.038 6.300 1.00 0.00 H new ATOM 566 N CYS A 37 -0.199 -1.257 2.745 1.00 0.00 N ATOM 567 CA CYS A 37 0.065 -2.234 1.695 1.00 0.00 C ATOM 568 C CYS A 37 -1.018 -3.308 1.663 1.00 0.00 C ATOM 569 O CYS A 37 -1.316 -3.934 2.679 1.00 0.00 O ATOM 570 CB CYS A 37 1.434 -2.883 1.906 1.00 0.00 C ATOM 571 SG CYS A 37 1.932 -4.019 0.571 1.00 0.00 S ATOM 0 H CYS A 37 0.058 -1.566 3.683 1.00 0.00 H new ATOM 0 HA CYS A 37 0.060 -1.710 0.739 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.185 -2.099 2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.424 -3.430 2.849 1.00 0.00 H new ATOM 576 N SER A 38 -1.605 -3.515 0.487 1.00 0.00 N ATOM 577 CA SER A 38 -2.655 -4.513 0.322 1.00 0.00 C ATOM 578 C SER A 38 -2.361 -5.418 -0.872 1.00 0.00 C ATOM 579 O SER A 38 -1.385 -5.213 -1.593 1.00 0.00 O ATOM 580 CB SER A 38 -4.012 -3.831 0.137 1.00 0.00 C ATOM 581 OG SER A 38 -4.172 -2.759 1.049 1.00 0.00 O ATOM 0 H SER A 38 -1.371 -3.005 -0.364 1.00 0.00 H new ATOM 0 HA SER A 38 -2.684 -5.126 1.223 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.100 -3.460 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.811 -4.558 0.282 1.00 0.00 H new ATOM 0 HG SER A 38 -5.046 -2.339 0.909 1.00 0.00 H new ATOM 587 N ARG A 39 -3.211 -6.420 -1.072 1.00 0.00 N ATOM 588 CA ARG A 39 -3.041 -7.356 -2.178 1.00 0.00 C ATOM 589 C ARG A 39 -3.771 -6.865 -3.425 1.00 0.00 C ATOM 590 O ARG A 39 -4.891 -6.362 -3.342 1.00 0.00 O ATOM 591 CB ARG A 39 -3.554 -8.743 -1.786 1.00 0.00 C ATOM 592 CG ARG A 39 -4.967 -8.733 -1.221 1.00 0.00 C ATOM 593 CD ARG A 39 -4.999 -9.212 0.224 1.00 0.00 C ATOM 594 NE ARG A 39 -6.018 -10.236 0.438 1.00 0.00 N ATOM 595 CZ ARG A 39 -6.032 -11.062 1.481 1.00 0.00 C ATOM 596 NH1 ARG A 39 -5.086 -10.986 2.409 1.00 0.00 N ATOM 597 NH2 ARG A 39 -6.994 -11.966 1.598 1.00 0.00 N ATOM 0 H ARG A 39 -4.023 -6.605 -0.484 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.977 -7.421 -2.404 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.526 -9.392 -2.661 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.879 -9.175 -1.047 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.375 -7.724 -1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.607 -9.371 -1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.022 -9.611 0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.192 -8.365 0.883 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.763 -10.323 -0.253 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.343 -10.292 2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.102 -11.622 3.206 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.724 -12.029 0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.004 -12.599 2.398 1.00 0.00 H new ATOM 611 N ARG A 40 -3.128 -7.016 -4.578 1.00 0.00 N ATOM 612 CA ARG A 40 -3.716 -6.588 -5.843 1.00 0.00 C ATOM 613 C ARG A 40 -5.027 -7.320 -6.107 1.00 0.00 C ATOM 614 O ARG A 40 -6.037 -6.701 -6.447 1.00 0.00 O ATOM 615 CB ARG A 40 -2.738 -6.838 -6.994 1.00 0.00 C ATOM 616 CG ARG A 40 -1.506 -5.949 -6.951 1.00 0.00 C ATOM 617 CD ARG A 40 -0.901 -5.768 -8.333 1.00 0.00 C ATOM 618 NE ARG A 40 0.538 -5.523 -8.274 1.00 0.00 N ATOM 619 CZ ARG A 40 1.242 -4.988 -9.268 1.00 0.00 C ATOM 620 NH1 ARG A 40 0.643 -4.639 -10.401 1.00 0.00 N ATOM 621 NH2 ARG A 40 2.547 -4.800 -9.131 1.00 0.00 N ATOM 0 H ARG A 40 -2.200 -7.431 -4.663 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.923 -5.520 -5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.424 -7.881 -6.972 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.256 -6.681 -7.940 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.773 -4.976 -6.539 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.764 -6.386 -6.282 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.093 -6.658 -8.932 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.390 -4.934 -8.836 1.00 0.00 H new ATOM 0 HE ARG A 40 1.033 -5.777 -7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.361 -4.781 -10.512 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.187 -4.229 -11.160 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.012 -5.066 -8.263 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.086 -4.390 -9.894 1.00 0.00 H new