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 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 30:sc= -0.171 USER MOD Single : A 18 SER OG : rot 122:sc= 1.04 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 -15.068 -0.073 2.281 1.00 0.00 N ATOM 68 CA PHE A 12 -14.840 1.152 1.524 1.00 0.00 C ATOM 69 C PHE A 12 -13.442 1.704 1.787 1.00 0.00 C ATOM 70 O PHE A 12 -12.729 2.081 0.858 1.00 0.00 O ATOM 71 CB PHE A 12 -15.891 2.203 1.886 1.00 0.00 C ATOM 72 CG PHE A 12 -16.318 3.053 0.723 1.00 0.00 C ATOM 73 CD1 PHE A 12 -17.134 2.533 -0.269 1.00 0.00 C ATOM 74 CD2 PHE A 12 -15.904 4.371 0.623 1.00 0.00 C ATOM 75 CE1 PHE A 12 -17.529 3.312 -1.340 1.00 0.00 C ATOM 76 CE2 PHE A 12 -16.296 5.156 -0.445 1.00 0.00 C ATOM 77 CZ PHE A 12 -17.109 4.626 -1.428 1.00 0.00 C ATOM 0 HA PHE A 12 -14.923 0.914 0.464 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.766 1.702 2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -15.493 2.848 2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.465 1.507 -0.204 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.268 4.790 1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -18.165 2.895 -2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.967 6.183 -0.511 1.00 0.00 H new ATOM 0 HZ PHE A 12 -17.416 5.237 -2.264 1.00 0.00 H new ATOM 87 N THR A 13 -13.057 1.748 3.059 1.00 0.00 N ATOM 88 CA THR A 13 -11.744 2.255 3.444 1.00 0.00 C ATOM 89 C THR A 13 -10.631 1.452 2.777 1.00 0.00 C ATOM 90 O THR A 13 -9.654 2.016 2.285 1.00 0.00 O ATOM 91 CB THR A 13 -11.579 2.208 4.964 1.00 0.00 C ATOM 92 OG1 THR A 13 -10.285 2.640 5.341 1.00 0.00 O ATOM 93 CG2 THR A 13 -11.789 0.827 5.547 1.00 0.00 C ATOM 0 H THR A 13 -13.635 1.439 3.840 1.00 0.00 H new ATOM 0 HA THR A 13 -11.672 3.290 3.109 1.00 0.00 H new ATOM 0 HB THR A 13 -12.348 2.872 5.358 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.200 2.604 6.317 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.657 0.865 6.628 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.798 0.484 5.316 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.064 0.136 5.117 1.00 0.00 H new ATOM 101 N SER A 14 -10.785 0.132 2.766 1.00 0.00 N ATOM 102 CA SER A 14 -9.792 -0.748 2.160 1.00 0.00 C ATOM 103 C SER A 14 -10.084 -0.961 0.678 1.00 0.00 C ATOM 104 O SER A 14 -9.170 -1.173 -0.119 1.00 0.00 O ATOM 105 CB SER A 14 -9.764 -2.095 2.885 1.00 0.00 C ATOM 106 OG SER A 14 -8.488 -2.703 2.781 1.00 0.00 O ATOM 0 H SER A 14 -11.587 -0.352 3.169 1.00 0.00 H new ATOM 0 HA SER A 14 -8.816 -0.272 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.018 -1.952 3.935 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.521 -2.755 2.462 1.00 0.00 H new ATOM 0 HG SER A 14 -8.495 -3.562 3.254 1.00 0.00 H new ATOM 112 N ASP A 15 -11.361 -0.905 0.316 1.00 0.00 N ATOM 113 CA ASP A 15 -11.770 -1.092 -1.071 1.00 0.00 C ATOM 114 C ASP A 15 -11.349 0.095 -1.931 1.00 0.00 C ATOM 115 O ASP A 15 -11.093 -0.052 -3.127 1.00 0.00 O ATOM 116 CB ASP A 15 -13.286 -1.285 -1.157 1.00 0.00 C ATOM 117 CG ASP A 15 -13.733 -1.747 -2.530 1.00 0.00 C ATOM 118 OD1 ASP A 15 -13.326 -2.852 -2.947 1.00 0.00 O ATOM 119 OD2 ASP A 15 -14.489 -1.003 -3.189 1.00 0.00 O ATOM 0 H ASP A 15 -12.130 -0.732 0.963 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.273 -1.985 -1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.599 -2.015 -0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.783 -0.346 -0.913 1.00 0.00 H new ATOM 124 N VAL A 16 -11.281 1.272 -1.318 1.00 0.00 N ATOM 125 CA VAL A 16 -10.893 2.483 -2.031 1.00 0.00 C ATOM 126 C VAL A 16 -9.377 2.577 -2.179 1.00 0.00 C ATOM 127 O VAL A 16 -8.868 2.913 -3.248 1.00 0.00 O ATOM 128 CB VAL A 16 -11.413 3.748 -1.318 1.00 0.00 C ATOM 129 CG1 VAL A 16 -10.771 3.898 0.054 1.00 0.00 C ATOM 130 CG2 VAL A 16 -11.160 4.982 -2.171 1.00 0.00 C ATOM 0 H VAL A 16 -11.489 1.413 -0.330 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.345 2.424 -3.021 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.489 3.644 -1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.153 4.797 0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.010 3.027 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.690 3.977 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.533 5.865 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.090 5.090 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.676 4.877 -3.125 1.00 0.00 H new ATOM 140 N SER A 17 -8.661 2.277 -1.100 1.00 0.00 N ATOM 141 CA SER A 17 -7.203 2.328 -1.111 1.00 0.00 C ATOM 142 C SER A 17 -6.625 1.414 -2.190 1.00 0.00 C ATOM 143 O SER A 17 -5.484 1.589 -2.618 1.00 0.00 O ATOM 144 CB SER A 17 -6.648 1.931 0.258 1.00 0.00 C ATOM 145 OG SER A 17 -7.390 0.863 0.819 1.00 0.00 O ATOM 0 H SER A 17 -9.066 1.996 -0.207 1.00 0.00 H new ATOM 0 HA SER A 17 -6.907 3.353 -1.336 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.602 1.639 0.159 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.677 2.790 0.929 1.00 0.00 H new ATOM 0 HG SER A 17 -7.756 0.306 0.100 1.00 0.00 H new ATOM 151 N SER A 18 -7.418 0.437 -2.624 1.00 0.00 N ATOM 152 CA SER A 18 -6.983 -0.505 -3.650 1.00 0.00 C ATOM 153 C SER A 18 -6.488 0.221 -4.899 1.00 0.00 C ATOM 154 O SER A 18 -5.507 -0.191 -5.517 1.00 0.00 O ATOM 155 CB SER A 18 -8.127 -1.452 -4.019 1.00 0.00 C ATOM 156 OG SER A 18 -9.016 -1.626 -2.929 1.00 0.00 O ATOM 0 H SER A 18 -8.365 0.278 -2.281 1.00 0.00 H new ATOM 0 HA SER A 18 -6.154 -1.082 -3.241 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.671 -1.054 -4.876 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.721 -2.418 -4.319 1.00 0.00 H new ATOM 0 HG SER A 18 -9.920 -1.359 -3.198 1.00 0.00 H new ATOM 162 N TYR A 19 -7.174 1.299 -5.270 1.00 0.00 N ATOM 163 CA TYR A 19 -6.797 2.069 -6.450 1.00 0.00 C ATOM 164 C TYR A 19 -5.647 3.024 -6.137 1.00 0.00 C ATOM 165 O TYR A 19 -4.826 3.326 -7.003 1.00 0.00 O ATOM 166 CB TYR A 19 -8.010 2.839 -6.999 1.00 0.00 C ATOM 167 CG TYR A 19 -8.189 4.231 -6.425 1.00 0.00 C ATOM 168 CD1 TYR A 19 -7.389 5.286 -6.849 1.00 0.00 C ATOM 169 CD2 TYR A 19 -9.159 4.489 -5.465 1.00 0.00 C ATOM 170 CE1 TYR A 19 -7.550 6.557 -6.331 1.00 0.00 C ATOM 171 CE2 TYR A 19 -9.327 5.758 -4.944 1.00 0.00 C ATOM 172 CZ TYR A 19 -8.520 6.788 -5.380 1.00 0.00 C ATOM 173 OH TYR A 19 -8.685 8.052 -4.863 1.00 0.00 O ATOM 0 H TYR A 19 -7.990 1.657 -4.773 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.454 1.372 -7.215 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.914 2.917 -8.082 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.912 2.260 -6.800 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.629 5.109 -7.596 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.792 3.685 -5.120 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.919 7.365 -6.670 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.087 5.942 -4.199 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.411 8.044 -4.205 1.00 0.00 H new ATOM 183 N LEU A 20 -5.596 3.497 -4.897 1.00 0.00 N ATOM 184 CA LEU A 20 -4.549 4.419 -4.474 1.00 0.00 C ATOM 185 C LEU A 20 -3.194 3.721 -4.422 1.00 0.00 C ATOM 186 O LEU A 20 -2.342 3.934 -5.284 1.00 0.00 O ATOM 187 CB LEU A 20 -4.884 5.013 -3.105 1.00 0.00 C ATOM 188 CG LEU A 20 -5.941 6.120 -3.123 1.00 0.00 C ATOM 189 CD1 LEU A 20 -7.300 5.568 -2.721 1.00 0.00 C ATOM 190 CD2 LEU A 20 -5.535 7.262 -2.202 1.00 0.00 C ATOM 0 H LEU A 20 -6.267 3.257 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.493 5.224 -5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.230 4.211 -2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.970 5.411 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.014 6.507 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.038 6.370 -2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.596 4.786 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.241 5.153 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.299 8.039 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.432 6.889 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.583 7.677 -2.534 1.00 0.00 H new ATOM 261 N LYS A 26 2.095 -1.234 1.645 1.00 0.00 N ATOM 262 CA LYS A 26 3.141 -0.351 1.138 1.00 0.00 C ATOM 263 C LYS A 26 4.003 0.203 2.274 1.00 0.00 C ATOM 264 O LYS A 26 5.144 0.603 2.052 1.00 0.00 O ATOM 265 CB LYS A 26 2.528 0.795 0.329 1.00 0.00 C ATOM 266 CG LYS A 26 3.008 0.836 -1.115 1.00 0.00 C ATOM 267 CD LYS A 26 1.976 0.253 -2.070 1.00 0.00 C ATOM 268 CE LYS A 26 1.593 -1.171 -1.691 1.00 0.00 C ATOM 269 NZ LYS A 26 2.583 -2.148 -2.137 1.00 0.00 N ATOM 0 HA LYS A 26 3.785 -0.940 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.442 0.699 0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.770 1.742 0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.223 1.867 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.941 0.279 -1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.085 0.881 -2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.373 0.264 -3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.480 -1.239 -0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.624 -1.413 -2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.280 -3.102 -1.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.673 -2.103 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.502 -1.935 -1.700 1.00 0.00 H new ATOM 281 N GLU A 27 3.454 0.217 3.490 1.00 0.00 N ATOM 282 CA GLU A 27 4.181 0.714 4.658 1.00 0.00 C ATOM 283 C GLU A 27 5.618 0.199 4.671 1.00 0.00 C ATOM 284 O GLU A 27 6.530 0.876 5.145 1.00 0.00 O ATOM 285 CB GLU A 27 3.473 0.284 5.945 1.00 0.00 C ATOM 286 CG GLU A 27 3.484 -1.219 6.174 1.00 0.00 C ATOM 287 CD GLU A 27 2.725 -1.623 7.422 1.00 0.00 C ATOM 288 OE1 GLU A 27 1.905 -0.816 7.907 1.00 0.00 O ATOM 289 OE2 GLU A 27 2.951 -2.748 7.916 1.00 0.00 O ATOM 0 H GLU A 27 2.509 -0.110 3.691 1.00 0.00 H new ATOM 0 HA GLU A 27 4.202 1.802 4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.949 0.776 6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.440 0.631 5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.046 -1.718 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.515 -1.563 6.253 1.00 0.00 H new ATOM 296 N PHE A 28 5.806 -1.006 4.145 1.00 0.00 N ATOM 297 CA PHE A 28 7.125 -1.621 4.091 1.00 0.00 C ATOM 298 C PHE A 28 8.060 -0.818 3.187 1.00 0.00 C ATOM 299 O PHE A 28 9.229 -0.609 3.512 1.00 0.00 O ATOM 300 CB PHE A 28 7.006 -3.075 3.606 1.00 0.00 C ATOM 301 CG PHE A 28 6.984 -3.233 2.107 1.00 0.00 C ATOM 302 CD1 PHE A 28 8.133 -3.038 1.356 1.00 0.00 C ATOM 303 CD2 PHE A 28 5.812 -3.574 1.451 1.00 0.00 C ATOM 304 CE1 PHE A 28 8.114 -3.179 -0.018 1.00 0.00 C ATOM 305 CE2 PHE A 28 5.786 -3.716 0.077 1.00 0.00 C ATOM 306 CZ PHE A 28 6.938 -3.517 -0.659 1.00 0.00 C ATOM 0 H PHE A 28 5.059 -1.577 3.749 1.00 0.00 H new ATOM 0 HA PHE A 28 7.553 -1.623 5.093 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.842 -3.648 4.007 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.095 -3.509 4.018 1.00 0.00 H new ATOM 0 HD1 PHE A 28 9.055 -2.772 1.852 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.908 -3.731 2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.017 -3.025 -0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.866 -3.982 -0.421 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.919 -3.625 -1.733 1.00 0.00 H new ATOM 316 N ILE A 29 7.533 -0.375 2.049 1.00 0.00 N ATOM 317 CA ILE A 29 8.311 0.402 1.088 1.00 0.00 C ATOM 318 C ILE A 29 8.979 1.602 1.759 1.00 0.00 C ATOM 319 O ILE A 29 10.052 2.040 1.346 1.00 0.00 O ATOM 320 CB ILE A 29 7.423 0.883 -0.084 1.00 0.00 C ATOM 321 CG1 ILE A 29 8.272 1.126 -1.333 1.00 0.00 C ATOM 322 CG2 ILE A 29 6.647 2.141 0.290 1.00 0.00 C ATOM 323 CD1 ILE A 29 7.607 0.664 -2.611 1.00 0.00 C ATOM 0 H ILE A 29 6.566 -0.542 1.769 1.00 0.00 H new ATOM 0 HA ILE A 29 9.088 -0.253 0.694 1.00 0.00 H new ATOM 0 HB ILE A 29 6.699 0.097 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.493 2.190 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.225 0.610 -1.221 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.033 2.454 -0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.007 1.932 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.346 2.937 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.264 0.867 -3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.410 -0.407 -2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.667 1.199 -2.746 1.00 0.00 H new ATOM 335 N ALA A 30 8.335 2.126 2.795 1.00 0.00 N ATOM 336 CA ALA A 30 8.862 3.274 3.523 1.00 0.00 C ATOM 337 C ALA A 30 10.150 2.921 4.261 1.00 0.00 C ATOM 338 O ALA A 30 10.993 3.784 4.501 1.00 0.00 O ATOM 339 CB ALA A 30 7.821 3.801 4.499 1.00 0.00 C ATOM 0 H ALA A 30 7.446 1.774 3.150 1.00 0.00 H new ATOM 0 HA ALA A 30 9.096 4.053 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.227 4.658 5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.929 4.105 3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.560 3.018 5.210 1.00 0.00 H new ATOM 345 N TRP A 31 10.294 1.650 4.623 1.00 0.00 N ATOM 346 CA TRP A 31 11.478 1.188 5.339 1.00 0.00 C ATOM 347 C TRP A 31 12.684 1.105 4.400 1.00 0.00 C ATOM 348 O TRP A 31 13.674 1.814 4.582 1.00 0.00 O ATOM 349 CB TRP A 31 11.190 -0.173 6.002 1.00 0.00 C ATOM 350 CG TRP A 31 12.201 -1.244 5.703 1.00 0.00 C ATOM 351 CD1 TRP A 31 13.522 -1.245 6.046 1.00 0.00 C ATOM 352 CD2 TRP A 31 11.968 -2.469 4.996 1.00 0.00 C ATOM 353 NE1 TRP A 31 14.126 -2.395 5.595 1.00 0.00 N ATOM 354 CE2 TRP A 31 13.192 -3.162 4.948 1.00 0.00 C ATOM 355 CE3 TRP A 31 10.843 -3.046 4.400 1.00 0.00 C ATOM 356 CZ2 TRP A 31 13.321 -4.403 4.326 1.00 0.00 C ATOM 357 CZ3 TRP A 31 10.973 -4.277 3.785 1.00 0.00 C ATOM 358 CH2 TRP A 31 12.204 -4.944 3.752 1.00 0.00 C ATOM 0 H TRP A 31 9.606 0.922 4.432 1.00 0.00 H new ATOM 0 HA TRP A 31 11.722 1.908 6.120 1.00 0.00 H new ATOM 0 HB2 TRP A 31 11.139 -0.032 7.082 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.208 -0.519 5.679 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.020 -0.458 6.592 1.00 0.00 H new ATOM 0 HE1 TRP A 31 15.109 -2.638 5.721 1.00 0.00 H new ATOM 0 HE3 TRP A 31 9.890 -2.539 4.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 14.269 -4.919 4.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.110 -4.732 3.322 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.272 -5.905 3.263 1.00 0.00 H new ATOM 369 N LEU A 32 12.595 0.230 3.405 1.00 0.00 N ATOM 370 CA LEU A 32 13.680 0.048 2.446 1.00 0.00 C ATOM 371 C LEU A 32 14.004 1.350 1.717 1.00 0.00 C ATOM 372 O LEU A 32 15.172 1.675 1.504 1.00 0.00 O ATOM 373 CB LEU A 32 13.336 -1.050 1.433 1.00 0.00 C ATOM 374 CG LEU A 32 11.876 -1.103 0.976 1.00 0.00 C ATOM 375 CD1 LEU A 32 11.673 -0.247 -0.265 1.00 0.00 C ATOM 376 CD2 LEU A 32 11.463 -2.542 0.709 1.00 0.00 C ATOM 0 H LEU A 32 11.783 -0.365 3.241 1.00 0.00 H new ATOM 0 HA LEU A 32 14.563 -0.257 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.967 -0.918 0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.595 -2.015 1.869 1.00 0.00 H new ATOM 0 HG LEU A 32 11.247 -0.703 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.629 -0.297 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.936 0.787 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.309 -0.616 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.423 -2.568 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.097 -2.964 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.573 -3.127 1.622 1.00 0.00 H new ATOM 388 N VAL A 33 12.971 2.093 1.336 1.00 0.00 N ATOM 389 CA VAL A 33 13.163 3.357 0.632 1.00 0.00 C ATOM 390 C VAL A 33 13.869 4.378 1.522 1.00 0.00 C ATOM 391 O VAL A 33 14.568 5.264 1.030 1.00 0.00 O ATOM 392 CB VAL A 33 11.819 3.940 0.141 1.00 0.00 C ATOM 393 CG1 VAL A 33 11.994 5.365 -0.370 1.00 0.00 C ATOM 394 CG2 VAL A 33 11.222 3.054 -0.943 1.00 0.00 C ATOM 0 H VAL A 33 11.996 1.844 1.501 1.00 0.00 H new ATOM 0 HA VAL A 33 13.789 3.148 -0.236 1.00 0.00 H new ATOM 0 HB VAL A 33 11.132 3.968 0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.033 5.751 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.375 5.995 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 33 12.700 5.370 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.276 3.478 -1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 33 11.912 2.994 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.051 2.055 -0.543 1.00 0.00 H new ATOM 404 N ARG A 34 13.685 4.250 2.833 1.00 0.00 N ATOM 405 CA ARG A 34 14.308 5.166 3.783 1.00 0.00 C ATOM 406 C ARG A 34 15.827 5.140 3.646 1.00 0.00 C ATOM 407 O ARG A 34 16.485 6.178 3.728 1.00 0.00 O ATOM 408 CB ARG A 34 13.907 4.804 5.215 1.00 0.00 C ATOM 409 CG ARG A 34 13.564 6.011 6.073 1.00 0.00 C ATOM 410 CD ARG A 34 12.391 5.725 6.996 1.00 0.00 C ATOM 411 NE ARG A 34 11.107 5.930 6.331 1.00 0.00 N ATOM 412 CZ ARG A 34 9.957 6.110 6.976 1.00 0.00 C ATOM 413 NH1 ARG A 34 9.925 6.113 8.304 1.00 0.00 N ATOM 414 NH2 ARG A 34 8.835 6.289 6.293 1.00 0.00 N ATOM 0 H ARG A 34 13.111 3.523 3.261 1.00 0.00 H new ATOM 0 HA ARG A 34 13.957 6.174 3.560 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.048 4.134 5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 34 14.723 4.255 5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.433 6.296 6.666 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.324 6.859 5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.454 4.697 7.354 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.453 6.371 7.871 1.00 0.00 H new ATOM 0 HE ARG A 34 11.091 5.936 5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.785 5.977 8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.040 6.251 8.793 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.853 6.289 5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.954 6.427 6.787 1.00 0.00 H new