USER MOD reduce.3.24.130724 H: found=0, std=0, add=149, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 149 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 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 154:sc= -0.0441 (180deg=-0.374) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 12 -15.393 2.760 3.934 1.00 0.00 N ATOM 68 CA PHE A 12 -14.335 3.676 3.524 1.00 0.00 C ATOM 69 C PHE A 12 -12.967 3.008 3.623 1.00 0.00 C ATOM 70 O PHE A 12 -12.118 3.178 2.748 1.00 0.00 O ATOM 71 CB PHE A 12 -14.367 4.942 4.385 1.00 0.00 C ATOM 72 CG PHE A 12 -13.949 4.714 5.811 1.00 0.00 C ATOM 73 CD1 PHE A 12 -12.607 4.690 6.157 1.00 0.00 C ATOM 74 CD2 PHE A 12 -14.897 4.523 6.804 1.00 0.00 C ATOM 75 CE1 PHE A 12 -12.219 4.480 7.466 1.00 0.00 C ATOM 76 CE2 PHE A 12 -14.514 4.312 8.115 1.00 0.00 C ATOM 77 CZ PHE A 12 -13.173 4.291 8.446 1.00 0.00 C ATOM 0 HA PHE A 12 -14.507 3.950 2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -13.712 5.691 3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -15.376 5.354 4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -11.856 4.837 5.395 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.947 4.539 6.550 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.170 4.464 7.723 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.262 4.164 8.880 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.871 4.127 9.470 1.00 0.00 H new ATOM 87 N THR A 13 -12.760 2.249 4.695 1.00 0.00 N ATOM 88 CA THR A 13 -11.495 1.556 4.909 1.00 0.00 C ATOM 89 C THR A 13 -11.191 0.608 3.754 1.00 0.00 C ATOM 90 O THR A 13 -10.048 0.501 3.310 1.00 0.00 O ATOM 91 CB THR A 13 -11.532 0.779 6.226 1.00 0.00 C ATOM 92 OG1 THR A 13 -10.277 0.177 6.489 1.00 0.00 O ATOM 93 CG2 THR A 13 -12.578 -0.314 6.248 1.00 0.00 C ATOM 0 H THR A 13 -13.452 2.099 5.429 1.00 0.00 H new ATOM 0 HA THR A 13 -10.704 2.304 4.958 1.00 0.00 H new ATOM 0 HB THR A 13 -11.784 1.516 6.988 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.321 -0.314 7.336 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.550 -0.825 7.210 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.565 0.124 6.098 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.374 -1.029 5.451 1.00 0.00 H new ATOM 101 N SER A 14 -12.222 -0.078 3.271 1.00 0.00 N ATOM 102 CA SER A 14 -12.064 -1.017 2.167 1.00 0.00 C ATOM 103 C SER A 14 -11.937 -0.277 0.839 1.00 0.00 C ATOM 104 O SER A 14 -11.269 -0.744 -0.083 1.00 0.00 O ATOM 105 CB SER A 14 -13.251 -1.981 2.115 1.00 0.00 C ATOM 106 OG SER A 14 -12.870 -3.229 1.564 1.00 0.00 O ATOM 0 H SER A 14 -13.175 -0.001 3.627 1.00 0.00 H new ATOM 0 HA SER A 14 -11.150 -1.587 2.335 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.647 -2.129 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 14 -14.052 -1.545 1.517 1.00 0.00 H new ATOM 0 HG SER A 14 -13.646 -3.828 1.543 1.00 0.00 H new ATOM 112 N ASP A 15 -12.583 0.882 0.749 1.00 0.00 N ATOM 113 CA ASP A 15 -12.543 1.689 -0.465 1.00 0.00 C ATOM 114 C ASP A 15 -11.139 2.231 -0.711 1.00 0.00 C ATOM 115 O ASP A 15 -10.639 2.202 -1.835 1.00 0.00 O ATOM 116 CB ASP A 15 -13.539 2.845 -0.367 1.00 0.00 C ATOM 117 CG ASP A 15 -14.184 3.167 -1.701 1.00 0.00 C ATOM 118 OD1 ASP A 15 -13.443 3.398 -2.679 1.00 0.00 O ATOM 119 OD2 ASP A 15 -15.431 3.188 -1.767 1.00 0.00 O ATOM 0 H ASP A 15 -13.141 1.283 1.503 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.819 1.052 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.314 2.593 0.357 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.027 3.731 0.009 1.00 0.00 H new ATOM 124 N VAL A 16 -10.508 2.727 0.348 1.00 0.00 N ATOM 125 CA VAL A 16 -9.161 3.277 0.247 1.00 0.00 C ATOM 126 C VAL A 16 -8.131 2.170 0.041 1.00 0.00 C ATOM 127 O VAL A 16 -7.251 2.279 -0.811 1.00 0.00 O ATOM 128 CB VAL A 16 -8.791 4.091 1.504 1.00 0.00 C ATOM 129 CG1 VAL A 16 -8.798 3.205 2.742 1.00 0.00 C ATOM 130 CG2 VAL A 16 -7.438 4.765 1.328 1.00 0.00 C ATOM 0 H VAL A 16 -10.908 2.759 1.286 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.151 3.941 -0.618 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.543 4.868 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.534 3.800 3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.792 2.779 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.073 2.401 2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.195 5.334 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.673 4.007 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.475 5.438 0.471 1.00 0.00 H new ATOM 140 N SER A 17 -8.248 1.103 0.824 1.00 0.00 N ATOM 141 CA SER A 17 -7.326 -0.024 0.725 1.00 0.00 C ATOM 142 C SER A 17 -7.311 -0.608 -0.688 1.00 0.00 C ATOM 143 O SER A 17 -6.368 -1.299 -1.072 1.00 0.00 O ATOM 144 CB SER A 17 -7.709 -1.110 1.732 1.00 0.00 C ATOM 145 OG SER A 17 -6.557 -1.710 2.300 1.00 0.00 O ATOM 0 H SER A 17 -8.972 0.994 1.534 1.00 0.00 H new ATOM 0 HA SER A 17 -6.325 0.343 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.324 -0.678 2.521 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.313 -1.871 1.238 1.00 0.00 H new ATOM 0 HG SER A 17 -6.830 -2.399 2.941 1.00 0.00 H new ATOM 151 N SER A 18 -8.363 -0.333 -1.453 1.00 0.00 N ATOM 152 CA SER A 18 -8.475 -0.838 -2.817 1.00 0.00 C ATOM 153 C SER A 18 -7.253 -0.474 -3.660 1.00 0.00 C ATOM 154 O SER A 18 -6.913 -1.184 -4.606 1.00 0.00 O ATOM 155 CB SER A 18 -9.741 -0.291 -3.479 1.00 0.00 C ATOM 156 OG SER A 18 -10.371 -1.281 -4.274 1.00 0.00 O ATOM 0 H SER A 18 -9.152 0.238 -1.150 1.00 0.00 H new ATOM 0 HA SER A 18 -8.531 -1.925 -2.760 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.433 0.059 -2.713 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.488 0.570 -4.098 1.00 0.00 H new ATOM 0 HG SER A 18 -11.178 -0.906 -4.684 1.00 0.00 H new ATOM 162 N TYR A 19 -6.597 0.635 -3.324 1.00 0.00 N ATOM 163 CA TYR A 19 -5.422 1.072 -4.073 1.00 0.00 C ATOM 164 C TYR A 19 -4.212 0.192 -3.763 1.00 0.00 C ATOM 165 O TYR A 19 -3.481 -0.211 -4.668 1.00 0.00 O ATOM 166 CB TYR A 19 -5.118 2.555 -3.794 1.00 0.00 C ATOM 167 CG TYR A 19 -4.183 2.816 -2.627 1.00 0.00 C ATOM 168 CD1 TYR A 19 -2.833 2.491 -2.702 1.00 0.00 C ATOM 169 CD2 TYR A 19 -4.650 3.399 -1.456 1.00 0.00 C ATOM 170 CE1 TYR A 19 -1.979 2.736 -1.644 1.00 0.00 C ATOM 171 CE2 TYR A 19 -3.802 3.647 -0.393 1.00 0.00 C ATOM 172 CZ TYR A 19 -2.468 3.314 -0.492 1.00 0.00 C ATOM 173 OH TYR A 19 -1.620 3.560 0.563 1.00 0.00 O ATOM 0 H TYR A 19 -6.856 1.242 -2.546 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.641 0.967 -5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.684 2.995 -4.692 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.059 3.073 -3.608 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -2.445 2.039 -3.603 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.694 3.663 -1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.933 2.476 -1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.183 4.099 0.511 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.122 3.971 1.297 1.00 0.00 H new ATOM 183 N LEU A 20 -4.005 -0.103 -2.484 1.00 0.00 N ATOM 184 CA LEU A 20 -2.882 -0.936 -2.067 1.00 0.00 C ATOM 185 C LEU A 20 -3.252 -2.415 -2.120 1.00 0.00 C ATOM 186 O LEU A 20 -4.173 -2.860 -1.435 1.00 0.00 O ATOM 187 CB LEU A 20 -2.434 -0.562 -0.653 1.00 0.00 C ATOM 188 CG LEU A 20 -3.539 -0.587 0.407 1.00 0.00 C ATOM 189 CD1 LEU A 20 -3.096 -1.379 1.627 1.00 0.00 C ATOM 190 CD2 LEU A 20 -3.929 0.829 0.802 1.00 0.00 C ATOM 0 H LEU A 20 -4.598 0.221 -1.720 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.058 -0.759 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.643 -1.246 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.999 0.437 -0.679 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.413 -1.079 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.896 -1.384 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.868 -2.403 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.207 -0.918 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.715 0.793 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.060 1.346 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.292 1.365 -0.075 1.00 0.00 H new ATOM 261 N LYS A 26 4.523 -3.439 -1.883 1.00 0.00 N ATOM 262 CA LYS A 26 5.378 -3.882 -0.788 1.00 0.00 C ATOM 263 C LYS A 26 6.803 -3.349 -0.944 1.00 0.00 C ATOM 264 O LYS A 26 7.573 -3.323 0.014 1.00 0.00 O ATOM 265 CB LYS A 26 5.395 -5.412 -0.716 1.00 0.00 C ATOM 266 CG LYS A 26 4.801 -5.966 0.569 1.00 0.00 C ATOM 267 CD LYS A 26 3.281 -5.966 0.528 1.00 0.00 C ATOM 268 CE LYS A 26 2.687 -5.440 1.825 1.00 0.00 C ATOM 269 NZ LYS A 26 3.011 -4.033 2.044 1.00 0.00 N ATOM 0 HA LYS A 26 4.968 -3.483 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.842 -5.814 -1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.423 -5.761 -0.811 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.161 -6.982 0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.143 -5.370 1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.939 -5.352 -0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.921 -6.979 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.604 -5.564 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.060 -6.032 2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.281 -3.598 2.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.935 -3.959 2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.048 -3.539 1.130 1.00 0.00 H new ATOM 281 N GLU A 27 7.153 -2.945 -2.161 1.00 0.00 N ATOM 282 CA GLU A 27 8.491 -2.437 -2.449 1.00 0.00 C ATOM 283 C GLU A 27 8.795 -1.126 -1.716 1.00 0.00 C ATOM 284 O GLU A 27 9.859 -0.981 -1.116 1.00 0.00 O ATOM 285 CB GLU A 27 8.666 -2.246 -3.959 1.00 0.00 C ATOM 286 CG GLU A 27 7.978 -1.004 -4.506 1.00 0.00 C ATOM 287 CD GLU A 27 8.013 -0.937 -6.020 1.00 0.00 C ATOM 288 OE1 GLU A 27 7.126 -1.537 -6.662 1.00 0.00 O ATOM 289 OE2 GLU A 27 8.928 -0.285 -6.564 1.00 0.00 O ATOM 0 H GLU A 27 6.527 -2.959 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 27 9.201 -3.180 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.730 -2.190 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.275 -3.123 -4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.941 -0.989 -4.169 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.459 -0.116 -4.096 1.00 0.00 H new ATOM 296 N PHE A 28 7.877 -0.162 -1.788 1.00 0.00 N ATOM 297 CA PHE A 28 8.091 1.136 -1.148 1.00 0.00 C ATOM 298 C PHE A 28 8.336 1.009 0.352 1.00 0.00 C ATOM 299 O PHE A 28 8.887 1.916 0.975 1.00 0.00 O ATOM 300 CB PHE A 28 6.931 2.100 -1.434 1.00 0.00 C ATOM 301 CG PHE A 28 5.720 1.953 -0.561 1.00 0.00 C ATOM 302 CD1 PHE A 28 5.384 0.748 0.023 1.00 0.00 C ATOM 303 CD2 PHE A 28 4.920 3.052 -0.320 1.00 0.00 C ATOM 304 CE1 PHE A 28 4.270 0.642 0.830 1.00 0.00 C ATOM 305 CE2 PHE A 28 3.808 2.956 0.481 1.00 0.00 C ATOM 306 CZ PHE A 28 3.478 1.748 1.060 1.00 0.00 C ATOM 0 H PHE A 28 6.987 -0.253 -2.278 1.00 0.00 H new ATOM 0 HA PHE A 28 8.996 1.554 -1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.301 3.121 -1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.624 1.969 -2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.000 -0.121 -0.154 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.172 4.002 -0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.018 -0.306 1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.192 3.826 0.657 1.00 0.00 H new ATOM 0 HZ PHE A 28 2.604 1.669 1.690 1.00 0.00 H new ATOM 316 N ILE A 29 7.942 -0.114 0.932 1.00 0.00 N ATOM 317 CA ILE A 29 8.143 -0.330 2.353 1.00 0.00 C ATOM 318 C ILE A 29 9.634 -0.321 2.692 1.00 0.00 C ATOM 319 O ILE A 29 10.021 -0.118 3.842 1.00 0.00 O ATOM 320 CB ILE A 29 7.494 -1.652 2.813 1.00 0.00 C ATOM 321 CG1 ILE A 29 7.132 -1.579 4.298 1.00 0.00 C ATOM 322 CG2 ILE A 29 8.409 -2.840 2.541 1.00 0.00 C ATOM 323 CD1 ILE A 29 6.268 -2.729 4.767 1.00 0.00 C ATOM 0 H ILE A 29 7.485 -0.884 0.444 1.00 0.00 H new ATOM 0 HA ILE A 29 7.659 0.487 2.888 1.00 0.00 H new ATOM 0 HB ILE A 29 6.580 -1.798 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.049 -1.561 4.887 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.611 -0.641 4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 29 7.924 -3.757 2.876 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.611 -2.906 1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.347 -2.708 3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.051 -2.612 5.829 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.334 -2.736 4.204 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.795 -3.669 4.606 1.00 0.00 H new ATOM 335 N ALA A 30 10.464 -0.536 1.673 1.00 0.00 N ATOM 336 CA ALA A 30 11.909 -0.547 1.847 1.00 0.00 C ATOM 337 C ALA A 30 12.470 0.873 1.858 1.00 0.00 C ATOM 338 O ALA A 30 13.353 1.192 2.654 1.00 0.00 O ATOM 339 CB ALA A 30 12.563 -1.365 0.744 1.00 0.00 C ATOM 0 H ALA A 30 10.155 -0.705 0.716 1.00 0.00 H new ATOM 0 HA ALA A 30 12.134 -1.006 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.644 -1.366 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 30 12.191 -2.389 0.781 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.323 -0.927 -0.225 1.00 0.00 H new ATOM 345 N TRP A 31 11.954 1.723 0.972 1.00 0.00 N ATOM 346 CA TRP A 31 12.413 3.106 0.892 1.00 0.00 C ATOM 347 C TRP A 31 12.013 3.891 2.141 1.00 0.00 C ATOM 348 O TRP A 31 12.864 4.415 2.860 1.00 0.00 O ATOM 349 CB TRP A 31 11.837 3.819 -0.347 1.00 0.00 C ATOM 350 CG TRP A 31 11.245 5.156 0.000 1.00 0.00 C ATOM 351 CD1 TRP A 31 11.921 6.313 0.260 1.00 0.00 C ATOM 352 CD2 TRP A 31 9.859 5.449 0.190 1.00 0.00 C ATOM 353 NE1 TRP A 31 11.036 7.305 0.612 1.00 0.00 N ATOM 354 CE2 TRP A 31 9.764 6.797 0.573 1.00 0.00 C ATOM 355 CE3 TRP A 31 8.691 4.698 0.073 1.00 0.00 C ATOM 356 CZ2 TRP A 31 8.543 7.405 0.849 1.00 0.00 C ATOM 357 CZ3 TRP A 31 7.481 5.304 0.341 1.00 0.00 C ATOM 358 CH2 TRP A 31 7.415 6.645 0.728 1.00 0.00 C ATOM 0 H TRP A 31 11.223 1.479 0.304 1.00 0.00 H new ATOM 0 HA TRP A 31 13.500 3.073 0.814 1.00 0.00 H new ATOM 0 HB2 TRP A 31 12.625 3.952 -1.088 1.00 0.00 H new ATOM 0 HB3 TRP A 31 11.072 3.191 -0.804 1.00 0.00 H new ATOM 0 HD1 TRP A 31 12.993 6.432 0.198 1.00 0.00 H new ATOM 0 HE1 TRP A 31 11.286 8.262 0.861 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.732 3.660 -0.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 8.489 8.441 1.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.569 4.732 0.250 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.453 7.089 0.936 1.00 0.00 H new ATOM 369 N LEU A 32 10.703 4.004 2.364 1.00 0.00 N ATOM 370 CA LEU A 32 10.180 4.765 3.489 1.00 0.00 C ATOM 371 C LEU A 32 10.854 4.338 4.796 1.00 0.00 C ATOM 372 O LEU A 32 10.987 5.137 5.723 1.00 0.00 O ATOM 373 CB LEU A 32 8.629 4.659 3.545 1.00 0.00 C ATOM 374 CG LEU A 32 8.033 3.775 4.640 1.00 0.00 C ATOM 375 CD1 LEU A 32 8.392 2.324 4.382 1.00 0.00 C ATOM 376 CD2 LEU A 32 8.468 4.238 6.020 1.00 0.00 C ATOM 0 H LEU A 32 9.987 3.576 1.777 1.00 0.00 H new ATOM 0 HA LEU A 32 10.419 5.819 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.225 5.664 3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.280 4.287 2.582 1.00 0.00 H new ATOM 0 HG LEU A 32 6.947 3.862 4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.965 1.699 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.994 2.017 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.476 2.212 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.028 3.589 6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.555 4.195 6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.134 5.263 6.182 1.00 0.00 H new ATOM 388 N VAL A 33 11.295 3.085 4.861 1.00 0.00 N ATOM 389 CA VAL A 33 11.965 2.576 6.055 1.00 0.00 C ATOM 390 C VAL A 33 13.473 2.808 5.977 1.00 0.00 C ATOM 391 O VAL A 33 14.116 3.108 6.983 1.00 0.00 O ATOM 392 CB VAL A 33 11.683 1.069 6.267 1.00 0.00 C ATOM 393 CG1 VAL A 33 12.683 0.453 7.239 1.00 0.00 C ATOM 394 CG2 VAL A 33 10.260 0.857 6.763 1.00 0.00 C ATOM 0 H VAL A 33 11.202 2.406 4.106 1.00 0.00 H new ATOM 0 HA VAL A 33 11.563 3.126 6.905 1.00 0.00 H new ATOM 0 HB VAL A 33 11.796 0.568 5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.460 -0.606 7.368 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.692 0.565 6.843 1.00 0.00 H new ATOM 0 HG13 VAL A 33 12.613 0.959 8.202 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.080 -0.208 6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.123 1.379 7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.556 1.248 6.028 1.00 0.00 H new ATOM 404 N ARG A 34 14.033 2.663 4.781 1.00 0.00 N ATOM 405 CA ARG A 34 15.466 2.852 4.581 1.00 0.00 C ATOM 406 C ARG A 34 15.769 4.249 4.049 1.00 0.00 C ATOM 407 O ARG A 34 15.335 4.616 2.957 1.00 0.00 O ATOM 408 CB ARG A 34 16.011 1.798 3.617 1.00 0.00 C ATOM 409 CG ARG A 34 17.523 1.649 3.672 1.00 0.00 C ATOM 410 CD ARG A 34 18.210 2.575 2.681 1.00 0.00 C ATOM 411 NE ARG A 34 18.537 1.895 1.431 1.00 0.00 N ATOM 412 CZ ARG A 34 19.583 1.085 1.279 1.00 0.00 C ATOM 413 NH1 ARG A 34 20.404 0.852 2.295 1.00 0.00 N ATOM 414 NH2 ARG A 34 19.809 0.508 0.107 1.00 0.00 N ATOM 0 H ARG A 34 13.518 2.416 3.936 1.00 0.00 H new ATOM 0 HA ARG A 34 15.956 2.741 5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.551 0.837 3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.716 2.060 2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 34 17.875 1.868 4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 34 17.796 0.616 3.456 1.00 0.00 H new ATOM 0 HD2 ARG A 34 17.562 3.426 2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 34 19.122 2.971 3.127 1.00 0.00 H new ATOM 0 HE ARG A 34 17.929 2.049 0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 34 20.236 1.294 3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 34 21.204 0.231 2.172 1.00 0.00 H new ATOM 0 HH21 ARG A 34 19.182 0.685 -0.678 1.00 0.00 H new ATOM 0 HH22 ARG A 34 20.610 -0.112 -0.010 1.00 0.00 H new