USER MOD reduce.3.24.130724 H: found=0, std=0, add=149, rem=0, adj=5 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= -0.112 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 12 -15.095 0.380 2.407 1.00 0.00 N ATOM 68 CA PHE A 12 -14.486 0.085 1.113 1.00 0.00 C ATOM 69 C PHE A 12 -14.527 1.300 0.188 1.00 0.00 C ATOM 70 O PHE A 12 -13.610 1.517 -0.602 1.00 0.00 O ATOM 71 CB PHE A 12 -15.197 -1.098 0.453 1.00 0.00 C ATOM 72 CG PHE A 12 -14.255 -2.124 -0.112 1.00 0.00 C ATOM 73 CD1 PHE A 12 -13.151 -1.736 -0.854 1.00 0.00 C ATOM 74 CD2 PHE A 12 -14.474 -3.475 0.100 1.00 0.00 C ATOM 75 CE1 PHE A 12 -12.284 -2.677 -1.375 1.00 0.00 C ATOM 76 CE2 PHE A 12 -13.610 -4.421 -0.418 1.00 0.00 C ATOM 77 CZ PHE A 12 -12.513 -4.021 -1.156 1.00 0.00 C ATOM 0 HA PHE A 12 -13.441 -0.173 1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -15.846 -1.577 1.186 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -15.839 -0.726 -0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -12.966 -0.686 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.330 -3.793 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.428 -2.362 -1.953 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.792 -5.472 -0.246 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.836 -4.758 -1.561 1.00 0.00 H new ATOM 87 N THR A 13 -15.598 2.087 0.285 1.00 0.00 N ATOM 88 CA THR A 13 -15.758 3.278 -0.548 1.00 0.00 C ATOM 89 C THR A 13 -14.471 4.101 -0.599 1.00 0.00 C ATOM 90 O THR A 13 -14.061 4.564 -1.664 1.00 0.00 O ATOM 91 CB THR A 13 -16.903 4.142 -0.020 1.00 0.00 C ATOM 92 OG1 THR A 13 -16.532 4.780 1.189 1.00 0.00 O ATOM 93 CG2 THR A 13 -18.172 3.361 0.245 1.00 0.00 C ATOM 0 H THR A 13 -16.368 1.921 0.933 1.00 0.00 H new ATOM 0 HA THR A 13 -15.990 2.946 -1.560 1.00 0.00 H new ATOM 0 HB THR A 13 -17.102 4.869 -0.807 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.277 5.330 1.511 1.00 0.00 H new ATOM 0 HG21 THR A 13 -18.943 4.035 0.618 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.513 2.896 -0.680 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.975 2.589 0.989 1.00 0.00 H new ATOM 101 N SER A 14 -13.840 4.278 0.557 1.00 0.00 N ATOM 102 CA SER A 14 -12.602 5.045 0.641 1.00 0.00 C ATOM 103 C SER A 14 -11.386 4.144 0.444 1.00 0.00 C ATOM 104 O SER A 14 -10.390 4.551 -0.154 1.00 0.00 O ATOM 105 CB SER A 14 -12.509 5.756 1.993 1.00 0.00 C ATOM 106 OG SER A 14 -11.627 6.863 1.929 1.00 0.00 O ATOM 0 H SER A 14 -14.165 3.901 1.448 1.00 0.00 H new ATOM 0 HA SER A 14 -12.612 5.789 -0.155 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.499 6.094 2.298 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.163 5.055 2.753 1.00 0.00 H new ATOM 0 HG SER A 14 -11.587 7.300 2.805 1.00 0.00 H new ATOM 112 N ASP A 15 -11.474 2.919 0.952 1.00 0.00 N ATOM 113 CA ASP A 15 -10.380 1.960 0.834 1.00 0.00 C ATOM 114 C ASP A 15 -10.152 1.556 -0.620 1.00 0.00 C ATOM 115 O ASP A 15 -9.049 1.161 -0.997 1.00 0.00 O ATOM 116 CB ASP A 15 -10.671 0.717 1.677 1.00 0.00 C ATOM 117 CG ASP A 15 -9.420 0.148 2.317 1.00 0.00 C ATOM 118 OD1 ASP A 15 -8.317 0.392 1.784 1.00 0.00 O ATOM 119 OD2 ASP A 15 -9.543 -0.541 3.352 1.00 0.00 O ATOM 0 H ASP A 15 -12.292 2.566 1.450 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.474 2.442 1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -11.391 0.969 2.455 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.133 -0.045 1.049 1.00 0.00 H new ATOM 124 N VAL A 16 -11.201 1.653 -1.431 1.00 0.00 N ATOM 125 CA VAL A 16 -11.114 1.293 -2.842 1.00 0.00 C ATOM 126 C VAL A 16 -9.992 2.053 -3.547 1.00 0.00 C ATOM 127 O VAL A 16 -9.489 1.618 -4.581 1.00 0.00 O ATOM 128 CB VAL A 16 -12.445 1.561 -3.573 1.00 0.00 C ATOM 129 CG1 VAL A 16 -12.765 3.049 -3.585 1.00 0.00 C ATOM 130 CG2 VAL A 16 -12.395 1.006 -4.988 1.00 0.00 C ATOM 0 H VAL A 16 -12.121 1.978 -1.135 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.895 0.226 -2.879 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.243 1.051 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.708 3.214 -4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.848 3.412 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.968 3.588 -4.097 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.342 1.204 -5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.586 1.485 -5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.221 -0.069 -4.951 1.00 0.00 H new ATOM 140 N SER A 17 -9.606 3.193 -2.984 1.00 0.00 N ATOM 141 CA SER A 17 -8.545 4.008 -3.563 1.00 0.00 C ATOM 142 C SER A 17 -7.177 3.616 -3.006 1.00 0.00 C ATOM 143 O SER A 17 -6.145 3.927 -3.600 1.00 0.00 O ATOM 144 CB SER A 17 -8.811 5.490 -3.292 1.00 0.00 C ATOM 145 OG SER A 17 -8.045 6.312 -4.156 1.00 0.00 O ATOM 0 H SER A 17 -10.011 3.573 -2.129 1.00 0.00 H new ATOM 0 HA SER A 17 -8.538 3.833 -4.639 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.871 5.703 -3.428 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.569 5.722 -2.255 1.00 0.00 H new ATOM 0 HG SER A 17 -8.234 7.254 -3.964 1.00 0.00 H new ATOM 151 N SER A 18 -7.174 2.946 -1.856 1.00 0.00 N ATOM 152 CA SER A 18 -5.929 2.532 -1.216 1.00 0.00 C ATOM 153 C SER A 18 -5.431 1.189 -1.748 1.00 0.00 C ATOM 154 O SER A 18 -4.225 0.974 -1.867 1.00 0.00 O ATOM 155 CB SER A 18 -6.118 2.452 0.299 1.00 0.00 C ATOM 156 OG SER A 18 -4.978 2.943 0.983 1.00 0.00 O ATOM 0 H SER A 18 -8.018 2.679 -1.350 1.00 0.00 H new ATOM 0 HA SER A 18 -5.175 3.283 -1.453 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.996 3.028 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.304 1.418 0.591 1.00 0.00 H new ATOM 0 HG SER A 18 -5.125 2.882 1.950 1.00 0.00 H new ATOM 162 N TYR A 19 -6.355 0.281 -2.055 1.00 0.00 N ATOM 163 CA TYR A 19 -5.980 -1.040 -2.559 1.00 0.00 C ATOM 164 C TYR A 19 -5.075 -0.924 -3.785 1.00 0.00 C ATOM 165 O TYR A 19 -4.297 -1.831 -4.082 1.00 0.00 O ATOM 166 CB TYR A 19 -7.229 -1.875 -2.885 1.00 0.00 C ATOM 167 CG TYR A 19 -7.732 -1.736 -4.309 1.00 0.00 C ATOM 168 CD1 TYR A 19 -7.083 -2.372 -5.361 1.00 0.00 C ATOM 169 CD2 TYR A 19 -8.856 -0.976 -4.597 1.00 0.00 C ATOM 170 CE1 TYR A 19 -7.540 -2.251 -6.659 1.00 0.00 C ATOM 171 CE2 TYR A 19 -9.320 -0.851 -5.893 1.00 0.00 C ATOM 172 CZ TYR A 19 -8.659 -1.489 -6.920 1.00 0.00 C ATOM 173 OH TYR A 19 -9.118 -1.367 -8.211 1.00 0.00 O ATOM 0 H TYR A 19 -7.360 0.432 -1.965 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.422 -1.551 -1.774 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.007 -2.925 -2.694 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.029 -1.589 -2.202 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.207 -2.971 -5.160 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.377 -0.474 -3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.023 -2.751 -7.465 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.197 -0.256 -6.100 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.915 -0.797 -8.222 1.00 0.00 H new ATOM 183 N LEU A 20 -5.184 0.196 -4.494 1.00 0.00 N ATOM 184 CA LEU A 20 -4.378 0.429 -5.689 1.00 0.00 C ATOM 185 C LEU A 20 -2.894 0.221 -5.400 1.00 0.00 C ATOM 186 O LEU A 20 -2.400 0.590 -4.335 1.00 0.00 O ATOM 187 CB LEU A 20 -4.614 1.845 -6.219 1.00 0.00 C ATOM 188 CG LEU A 20 -6.082 2.263 -6.328 1.00 0.00 C ATOM 189 CD1 LEU A 20 -6.203 3.617 -7.009 1.00 0.00 C ATOM 190 CD2 LEU A 20 -6.884 1.213 -7.084 1.00 0.00 C ATOM 0 H LEU A 20 -5.823 0.957 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.683 -0.292 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.099 2.550 -5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.155 1.928 -7.204 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.489 2.347 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.254 3.897 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.665 4.366 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.777 3.560 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.925 1.529 -7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.475 1.096 -8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.827 0.261 -6.556 1.00 0.00 H new ATOM 261 N LYS A 26 3.459 -2.365 -1.617 1.00 0.00 N ATOM 262 CA LYS A 26 4.015 -1.015 -1.527 1.00 0.00 C ATOM 263 C LYS A 26 4.533 -0.704 -0.123 1.00 0.00 C ATOM 264 O LYS A 26 5.431 0.121 0.043 1.00 0.00 O ATOM 265 CB LYS A 26 2.958 0.016 -1.932 1.00 0.00 C ATOM 266 CG LYS A 26 3.534 1.373 -2.313 1.00 0.00 C ATOM 267 CD LYS A 26 4.552 1.265 -3.439 1.00 0.00 C ATOM 268 CE LYS A 26 3.918 0.759 -4.726 1.00 0.00 C ATOM 269 NZ LYS A 26 4.785 -0.181 -5.433 1.00 0.00 N ATOM 0 HA LYS A 26 4.861 -0.962 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.387 -0.375 -2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.258 0.148 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.725 2.037 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.006 1.825 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.004 2.241 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.355 0.591 -3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.969 0.274 -4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.694 1.605 -5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.314 -0.500 -6.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.681 0.288 -5.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.978 -1.001 -4.823 1.00 0.00 H new ATOM 281 N GLU A 27 3.965 -1.367 0.884 1.00 0.00 N ATOM 282 CA GLU A 27 4.373 -1.158 2.275 1.00 0.00 C ATOM 283 C GLU A 27 5.891 -1.073 2.406 1.00 0.00 C ATOM 284 O GLU A 27 6.415 -0.265 3.172 1.00 0.00 O ATOM 285 CB GLU A 27 3.853 -2.296 3.154 1.00 0.00 C ATOM 286 CG GLU A 27 4.462 -3.647 2.823 1.00 0.00 C ATOM 287 CD GLU A 27 3.944 -4.760 3.714 1.00 0.00 C ATOM 288 OE1 GLU A 27 3.256 -4.452 4.710 1.00 0.00 O ATOM 289 OE2 GLU A 27 4.227 -5.939 3.416 1.00 0.00 O ATOM 0 H GLU A 27 3.221 -2.054 0.764 1.00 0.00 H new ATOM 0 HA GLU A 27 3.945 -0.211 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.058 -2.060 4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.770 -2.359 3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.248 -3.892 1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.546 -3.585 2.920 1.00 0.00 H new ATOM 296 N PHE A 28 6.588 -1.917 1.655 1.00 0.00 N ATOM 297 CA PHE A 28 8.046 -1.949 1.683 1.00 0.00 C ATOM 298 C PHE A 28 8.633 -0.550 1.493 1.00 0.00 C ATOM 299 O PHE A 28 9.616 -0.184 2.138 1.00 0.00 O ATOM 300 CB PHE A 28 8.568 -2.910 0.603 1.00 0.00 C ATOM 301 CG PHE A 28 8.653 -2.304 -0.773 1.00 0.00 C ATOM 302 CD1 PHE A 28 9.633 -1.374 -1.067 1.00 0.00 C ATOM 303 CD2 PHE A 28 7.754 -2.659 -1.766 1.00 0.00 C ATOM 304 CE1 PHE A 28 9.720 -0.806 -2.321 1.00 0.00 C ATOM 305 CE2 PHE A 28 7.835 -2.094 -3.025 1.00 0.00 C ATOM 306 CZ PHE A 28 8.819 -1.165 -3.303 1.00 0.00 C ATOM 0 H PHE A 28 6.166 -2.591 1.017 1.00 0.00 H new ATOM 0 HA PHE A 28 8.365 -2.309 2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 28 9.557 -3.263 0.894 1.00 0.00 H new ATOM 0 HB3 PHE A 28 7.917 -3.783 0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.341 -1.088 -0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.982 -3.384 -1.554 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.492 -0.081 -2.534 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.129 -2.379 -3.791 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.883 -0.721 -4.285 1.00 0.00 H new ATOM 316 N ILE A 29 8.025 0.224 0.596 1.00 0.00 N ATOM 317 CA ILE A 29 8.484 1.581 0.303 1.00 0.00 C ATOM 318 C ILE A 29 8.779 2.372 1.577 1.00 0.00 C ATOM 319 O ILE A 29 9.593 3.295 1.570 1.00 0.00 O ATOM 320 CB ILE A 29 7.448 2.351 -0.545 1.00 0.00 C ATOM 321 CG1 ILE A 29 8.084 3.604 -1.150 1.00 0.00 C ATOM 322 CG2 ILE A 29 6.229 2.719 0.291 1.00 0.00 C ATOM 323 CD1 ILE A 29 7.414 4.068 -2.425 1.00 0.00 C ATOM 0 H ILE A 29 7.209 -0.067 0.057 1.00 0.00 H new ATOM 0 HA ILE A 29 9.409 1.478 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 29 7.118 1.702 -1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.048 4.410 -0.417 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.136 3.405 -1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.513 3.261 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.763 1.811 0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.537 3.349 1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.918 4.960 -2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.473 3.279 -3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.368 4.299 -2.223 1.00 0.00 H new ATOM 335 N ALA A 30 8.106 2.011 2.662 1.00 0.00 N ATOM 336 CA ALA A 30 8.289 2.692 3.936 1.00 0.00 C ATOM 337 C ALA A 30 9.616 2.321 4.595 1.00 0.00 C ATOM 338 O ALA A 30 10.245 3.153 5.246 1.00 0.00 O ATOM 339 CB ALA A 30 7.132 2.370 4.870 1.00 0.00 C ATOM 0 H ALA A 30 7.428 1.249 2.685 1.00 0.00 H new ATOM 0 HA ALA A 30 8.309 3.764 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.278 2.884 5.820 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.197 2.701 4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.091 1.294 5.042 1.00 0.00 H new ATOM 345 N TRP A 31 10.029 1.066 4.440 1.00 0.00 N ATOM 346 CA TRP A 31 11.272 0.592 5.043 1.00 0.00 C ATOM 347 C TRP A 31 12.499 1.302 4.458 1.00 0.00 C ATOM 348 O TRP A 31 13.337 1.804 5.207 1.00 0.00 O ATOM 349 CB TRP A 31 11.384 -0.935 4.899 1.00 0.00 C ATOM 350 CG TRP A 31 12.661 -1.407 4.272 1.00 0.00 C ATOM 351 CD1 TRP A 31 13.908 -1.394 4.826 1.00 0.00 C ATOM 352 CD2 TRP A 31 12.809 -1.958 2.964 1.00 0.00 C ATOM 353 NE1 TRP A 31 14.825 -1.897 3.933 1.00 0.00 N ATOM 354 CE2 TRP A 31 14.173 -2.256 2.785 1.00 0.00 C ATOM 355 CE3 TRP A 31 11.921 -2.227 1.924 1.00 0.00 C ATOM 356 CZ2 TRP A 31 14.662 -2.810 1.603 1.00 0.00 C ATOM 357 CZ3 TRP A 31 12.409 -2.771 0.759 1.00 0.00 C ATOM 358 CH2 TRP A 31 13.769 -3.059 0.605 1.00 0.00 C ATOM 0 H TRP A 31 9.523 0.361 3.904 1.00 0.00 H new ATOM 0 HA TRP A 31 11.246 0.838 6.105 1.00 0.00 H new ATOM 0 HB2 TRP A 31 11.289 -1.388 5.886 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.546 -1.294 4.301 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.141 -1.041 5.820 1.00 0.00 H new ATOM 0 HE1 TRP A 31 15.827 -1.988 4.099 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.868 -2.012 2.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 15.712 -3.034 1.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 11.729 -2.980 -0.053 1.00 0.00 H new ATOM 0 HH2 TRP A 31 14.118 -3.487 -0.323 1.00 0.00 H new ATOM 369 N LEU A 32 12.613 1.344 3.127 1.00 0.00 N ATOM 370 CA LEU A 32 13.761 2.004 2.490 1.00 0.00 C ATOM 371 C LEU A 32 13.987 3.382 3.097 1.00 0.00 C ATOM 372 O LEU A 32 14.994 3.636 3.757 1.00 0.00 O ATOM 373 CB LEU A 32 13.590 2.197 0.972 1.00 0.00 C ATOM 374 CG LEU A 32 13.085 1.031 0.153 1.00 0.00 C ATOM 375 CD1 LEU A 32 13.909 -0.194 0.436 1.00 0.00 C ATOM 376 CD2 LEU A 32 11.607 0.795 0.402 1.00 0.00 C ATOM 0 H LEU A 32 11.939 0.938 2.478 1.00 0.00 H new ATOM 0 HA LEU A 32 14.609 1.342 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.906 3.032 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.556 2.496 0.564 1.00 0.00 H new ATOM 0 HG LEU A 32 13.194 1.267 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.537 -1.028 -0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.950 0.000 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.838 -0.443 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.267 -0.049 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.446 0.577 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.045 1.687 0.126 1.00 0.00 H new ATOM 388 N VAL A 33 13.035 4.271 2.840 1.00 0.00 N ATOM 389 CA VAL A 33 13.095 5.641 3.320 1.00 0.00 C ATOM 390 C VAL A 33 13.391 5.716 4.818 1.00 0.00 C ATOM 391 O VAL A 33 14.199 6.535 5.256 1.00 0.00 O ATOM 392 CB VAL A 33 11.777 6.377 3.013 1.00 0.00 C ATOM 393 CG1 VAL A 33 10.623 5.769 3.793 1.00 0.00 C ATOM 394 CG2 VAL A 33 11.912 7.864 3.292 1.00 0.00 C ATOM 0 H VAL A 33 12.201 4.060 2.293 1.00 0.00 H new ATOM 0 HA VAL A 33 13.917 6.127 2.794 1.00 0.00 H new ATOM 0 HB VAL A 33 11.558 6.257 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 33 9.703 6.306 3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.511 4.720 3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.826 5.845 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.969 8.363 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.163 8.016 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.701 8.281 2.667 1.00 0.00 H new ATOM 404 N ARG A 34 12.739 4.861 5.599 1.00 0.00 N ATOM 405 CA ARG A 34 12.947 4.845 7.043 1.00 0.00 C ATOM 406 C ARG A 34 14.331 4.302 7.387 1.00 0.00 C ATOM 407 O ARG A 34 14.914 4.665 8.409 1.00 0.00 O ATOM 408 CB ARG A 34 11.869 4.005 7.732 1.00 0.00 C ATOM 409 CG ARG A 34 10.699 4.826 8.251 1.00 0.00 C ATOM 410 CD ARG A 34 9.443 4.600 7.425 1.00 0.00 C ATOM 411 NE ARG A 34 8.247 5.095 8.101 1.00 0.00 N ATOM 412 CZ ARG A 34 7.102 5.369 7.478 1.00 0.00 C ATOM 413 NH1 ARG A 34 6.995 5.199 6.166 1.00 0.00 N ATOM 414 NH2 ARG A 34 6.063 5.815 8.169 1.00 0.00 N ATOM 0 H ARG A 34 12.066 4.174 5.259 1.00 0.00 H new ATOM 0 HA ARG A 34 12.878 5.871 7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.496 3.260 7.029 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.319 3.462 8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.503 4.563 9.291 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.961 5.884 8.233 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.548 5.099 6.462 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.330 3.535 7.221 1.00 0.00 H new ATOM 0 HE ARG A 34 8.291 5.239 9.110 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.792 4.857 5.629 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.116 5.410 5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.140 5.948 9.177 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.186 6.025 7.693 1.00 0.00 H new