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= 0.011 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 68:sc= 0.913 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.351) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 12 -17.800 -0.495 1.741 1.00 0.00 N ATOM 68 CA PHE A 12 -17.105 0.784 1.645 1.00 0.00 C ATOM 69 C PHE A 12 -15.798 0.756 2.430 1.00 0.00 C ATOM 70 O PHE A 12 -14.776 1.265 1.971 1.00 0.00 O ATOM 71 CB PHE A 12 -17.997 1.913 2.163 1.00 0.00 C ATOM 72 CG PHE A 12 -17.482 3.285 1.832 1.00 0.00 C ATOM 73 CD1 PHE A 12 -16.429 3.835 2.545 1.00 0.00 C ATOM 74 CD2 PHE A 12 -18.053 4.025 0.809 1.00 0.00 C ATOM 75 CE1 PHE A 12 -15.954 5.097 2.243 1.00 0.00 C ATOM 76 CE2 PHE A 12 -17.582 5.287 0.502 1.00 0.00 C ATOM 77 CZ PHE A 12 -16.532 5.824 1.220 1.00 0.00 C ATOM 0 HA PHE A 12 -16.874 0.963 0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.996 1.798 1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -18.094 1.821 3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.974 3.271 3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.876 3.610 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.132 5.514 2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -18.035 5.853 -0.299 1.00 0.00 H new ATOM 0 HZ PHE A 12 -16.163 6.811 0.982 1.00 0.00 H new ATOM 87 N THR A 13 -15.838 0.160 3.618 1.00 0.00 N ATOM 88 CA THR A 13 -14.657 0.068 4.468 1.00 0.00 C ATOM 89 C THR A 13 -13.507 -0.617 3.736 1.00 0.00 C ATOM 90 O THR A 13 -12.361 -0.174 3.807 1.00 0.00 O ATOM 91 CB THR A 13 -14.986 -0.695 5.752 1.00 0.00 C ATOM 92 OG1 THR A 13 -15.877 -1.764 5.486 1.00 0.00 O ATOM 93 CG2 THR A 13 -15.616 0.174 6.819 1.00 0.00 C ATOM 0 H THR A 13 -16.676 -0.266 4.013 1.00 0.00 H new ATOM 0 HA THR A 13 -14.346 1.081 4.724 1.00 0.00 H new ATOM 0 HB THR A 13 -14.029 -1.062 6.123 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.074 -2.241 6.319 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.824 -0.429 7.703 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.932 0.980 7.082 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.547 0.597 6.441 1.00 0.00 H new ATOM 101 N SER A 14 -13.821 -1.700 3.033 1.00 0.00 N ATOM 102 CA SER A 14 -12.813 -2.445 2.288 1.00 0.00 C ATOM 103 C SER A 14 -12.670 -1.901 0.871 1.00 0.00 C ATOM 104 O SER A 14 -11.590 -1.955 0.282 1.00 0.00 O ATOM 105 CB SER A 14 -13.176 -3.931 2.242 1.00 0.00 C ATOM 106 OG SER A 14 -12.052 -4.720 1.893 1.00 0.00 O ATOM 0 H SER A 14 -14.765 -2.081 2.964 1.00 0.00 H new ATOM 0 HA SER A 14 -11.859 -2.327 2.801 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.558 -4.246 3.213 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.975 -4.091 1.518 1.00 0.00 H new ATOM 0 HG SER A 14 -12.310 -5.665 1.872 1.00 0.00 H new ATOM 112 N ASP A 15 -13.764 -1.377 0.328 1.00 0.00 N ATOM 113 CA ASP A 15 -13.758 -0.823 -1.022 1.00 0.00 C ATOM 114 C ASP A 15 -12.701 0.270 -1.159 1.00 0.00 C ATOM 115 O ASP A 15 -12.193 0.522 -2.252 1.00 0.00 O ATOM 116 CB ASP A 15 -15.138 -0.263 -1.373 1.00 0.00 C ATOM 117 CG ASP A 15 -15.519 -0.530 -2.816 1.00 0.00 C ATOM 118 OD1 ASP A 15 -15.122 -1.588 -3.348 1.00 0.00 O ATOM 119 OD2 ASP A 15 -16.213 0.318 -3.414 1.00 0.00 O ATOM 0 H ASP A 15 -14.666 -1.324 0.802 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.513 -1.627 -1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.885 -0.706 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.149 0.811 -1.190 1.00 0.00 H new ATOM 124 N VAL A 16 -12.375 0.917 -0.044 1.00 0.00 N ATOM 125 CA VAL A 16 -11.380 1.983 -0.040 1.00 0.00 C ATOM 126 C VAL A 16 -9.967 1.425 0.114 1.00 0.00 C ATOM 127 O VAL A 16 -8.988 2.091 -0.213 1.00 0.00 O ATOM 128 CB VAL A 16 -11.641 2.995 1.092 1.00 0.00 C ATOM 129 CG1 VAL A 16 -10.781 4.236 0.906 1.00 0.00 C ATOM 130 CG2 VAL A 16 -13.118 3.363 1.154 1.00 0.00 C ATOM 0 H VAL A 16 -12.786 0.721 0.869 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.465 2.490 -1.001 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.368 2.530 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.978 4.940 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.728 3.954 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.020 4.704 -0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -13.281 4.079 1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -13.422 3.808 0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.709 2.466 1.340 1.00 0.00 H new ATOM 140 N SER A 17 -9.866 0.200 0.618 1.00 0.00 N ATOM 141 CA SER A 17 -8.570 -0.438 0.810 1.00 0.00 C ATOM 142 C SER A 17 -8.158 -1.232 -0.428 1.00 0.00 C ATOM 143 O SER A 17 -6.980 -1.525 -0.624 1.00 0.00 O ATOM 144 CB SER A 17 -8.609 -1.359 2.031 1.00 0.00 C ATOM 145 OG SER A 17 -7.303 -1.624 2.512 1.00 0.00 O ATOM 0 H SER A 17 -10.664 -0.369 0.900 1.00 0.00 H new ATOM 0 HA SER A 17 -7.831 0.346 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.204 -0.898 2.819 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.100 -2.296 1.768 1.00 0.00 H new ATOM 0 HG SER A 17 -7.355 -2.213 3.293 1.00 0.00 H new ATOM 151 N SER A 18 -9.138 -1.592 -1.252 1.00 0.00 N ATOM 152 CA SER A 18 -8.874 -2.366 -2.461 1.00 0.00 C ATOM 153 C SER A 18 -8.610 -1.470 -3.671 1.00 0.00 C ATOM 154 O SER A 18 -7.917 -1.874 -4.605 1.00 0.00 O ATOM 155 CB SER A 18 -10.051 -3.297 -2.755 1.00 0.00 C ATOM 156 OG SER A 18 -10.593 -3.829 -1.558 1.00 0.00 O ATOM 0 H SER A 18 -10.120 -1.361 -1.105 1.00 0.00 H new ATOM 0 HA SER A 18 -7.974 -2.954 -2.281 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.824 -2.751 -3.297 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.722 -4.110 -3.402 1.00 0.00 H new ATOM 0 HG SER A 18 -11.023 -3.112 -1.047 1.00 0.00 H new ATOM 162 N TYR A 19 -9.179 -0.267 -3.667 1.00 0.00 N ATOM 163 CA TYR A 19 -9.006 0.653 -4.790 1.00 0.00 C ATOM 164 C TYR A 19 -7.644 1.348 -4.747 1.00 0.00 C ATOM 165 O TYR A 19 -7.173 1.863 -5.761 1.00 0.00 O ATOM 166 CB TYR A 19 -10.142 1.690 -4.820 1.00 0.00 C ATOM 167 CG TYR A 19 -9.859 2.962 -4.047 1.00 0.00 C ATOM 168 CD1 TYR A 19 -9.268 2.922 -2.792 1.00 0.00 C ATOM 169 CD2 TYR A 19 -10.183 4.204 -4.579 1.00 0.00 C ATOM 170 CE1 TYR A 19 -9.007 4.084 -2.089 1.00 0.00 C ATOM 171 CE2 TYR A 19 -9.926 5.369 -3.883 1.00 0.00 C ATOM 172 CZ TYR A 19 -9.338 5.304 -2.639 1.00 0.00 C ATOM 173 OH TYR A 19 -9.079 6.462 -1.942 1.00 0.00 O ATOM 0 H TYR A 19 -9.758 0.092 -2.908 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.046 0.064 -5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.350 1.950 -5.858 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.045 1.231 -4.419 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.008 1.968 -2.357 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.644 4.259 -5.554 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -8.546 4.036 -1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.185 6.326 -4.312 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.372 7.234 -2.470 1.00 0.00 H new ATOM 183 N LEU A 20 -7.017 1.364 -3.576 1.00 0.00 N ATOM 184 CA LEU A 20 -5.714 2.002 -3.422 1.00 0.00 C ATOM 185 C LEU A 20 -4.584 1.094 -3.910 1.00 0.00 C ATOM 186 O LEU A 20 -3.420 1.493 -3.919 1.00 0.00 O ATOM 187 CB LEU A 20 -5.476 2.396 -1.960 1.00 0.00 C ATOM 188 CG LEU A 20 -5.765 1.303 -0.927 1.00 0.00 C ATOM 189 CD1 LEU A 20 -4.879 0.091 -1.167 1.00 0.00 C ATOM 190 CD2 LEU A 20 -5.564 1.841 0.481 1.00 0.00 C ATOM 0 H LEU A 20 -7.387 0.945 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.715 2.902 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.438 2.709 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.096 3.262 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.804 0.992 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.100 -0.674 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.069 -0.307 -2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.832 0.384 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.773 1.053 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.534 2.178 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.241 2.678 0.651 1.00 0.00 H new ATOM 261 N LYS A 26 4.700 1.564 -0.369 1.00 0.00 N ATOM 262 CA LYS A 26 5.617 2.705 -0.298 1.00 0.00 C ATOM 263 C LYS A 26 6.437 2.691 0.991 1.00 0.00 C ATOM 264 O LYS A 26 7.585 3.131 1.008 1.00 0.00 O ATOM 265 CB LYS A 26 4.830 4.013 -0.402 1.00 0.00 C ATOM 266 CG LYS A 26 5.661 5.199 -0.870 1.00 0.00 C ATOM 267 CD LYS A 26 6.358 4.919 -2.194 1.00 0.00 C ATOM 268 CE LYS A 26 5.370 4.512 -3.278 1.00 0.00 C ATOM 269 NZ LYS A 26 5.564 3.129 -3.704 1.00 0.00 N ATOM 0 HA LYS A 26 6.311 2.628 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.998 3.871 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.400 4.245 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.018 6.073 -0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.406 5.442 -0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.902 5.808 -2.513 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.094 4.127 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.353 4.638 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.480 5.175 -4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.074 2.972 -4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.580 2.942 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.177 2.486 -2.984 1.00 0.00 H new ATOM 281 N GLU A 27 5.843 2.179 2.067 1.00 0.00 N ATOM 282 CA GLU A 27 6.521 2.105 3.360 1.00 0.00 C ATOM 283 C GLU A 27 7.961 1.613 3.211 1.00 0.00 C ATOM 284 O GLU A 27 8.833 1.972 4.002 1.00 0.00 O ATOM 285 CB GLU A 27 5.753 1.180 4.306 1.00 0.00 C ATOM 286 CG GLU A 27 4.389 1.718 4.709 1.00 0.00 C ATOM 287 CD GLU A 27 3.512 0.660 5.352 1.00 0.00 C ATOM 288 OE1 GLU A 27 4.060 -0.356 5.828 1.00 0.00 O ATOM 289 OE2 GLU A 27 2.278 0.849 5.379 1.00 0.00 O ATOM 0 H GLU A 27 4.893 1.809 2.069 1.00 0.00 H new ATOM 0 HA GLU A 27 6.549 3.111 3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.624 0.210 3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.349 1.016 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.520 2.547 5.404 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.885 2.117 3.829 1.00 0.00 H new ATOM 296 N PHE A 28 8.204 0.791 2.193 1.00 0.00 N ATOM 297 CA PHE A 28 9.539 0.256 1.946 1.00 0.00 C ATOM 298 C PHE A 28 10.540 1.382 1.690 1.00 0.00 C ATOM 299 O PHE A 28 11.696 1.309 2.105 1.00 0.00 O ATOM 300 CB PHE A 28 9.513 -0.723 0.760 1.00 0.00 C ATOM 301 CG PHE A 28 9.463 -0.064 -0.594 1.00 0.00 C ATOM 302 CD1 PHE A 28 10.568 0.604 -1.099 1.00 0.00 C ATOM 303 CD2 PHE A 28 8.310 -0.116 -1.362 1.00 0.00 C ATOM 304 CE1 PHE A 28 10.523 1.208 -2.341 1.00 0.00 C ATOM 305 CE2 PHE A 28 8.260 0.486 -2.604 1.00 0.00 C ATOM 306 CZ PHE A 28 9.368 1.149 -3.094 1.00 0.00 C ATOM 0 H PHE A 28 7.495 0.482 1.528 1.00 0.00 H new ATOM 0 HA PHE A 28 9.859 -0.285 2.837 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.399 -1.357 0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.647 -1.377 0.864 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.475 0.653 -0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.440 -0.633 -0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 28 11.391 1.726 -2.722 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.355 0.438 -3.192 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.331 1.621 -4.065 1.00 0.00 H new ATOM 316 N ILE A 29 10.086 2.421 0.996 1.00 0.00 N ATOM 317 CA ILE A 29 10.937 3.562 0.669 1.00 0.00 C ATOM 318 C ILE A 29 11.676 4.089 1.897 1.00 0.00 C ATOM 319 O ILE A 29 12.755 4.670 1.780 1.00 0.00 O ATOM 320 CB ILE A 29 10.110 4.703 0.034 1.00 0.00 C ATOM 321 CG1 ILE A 29 11.038 5.766 -0.572 1.00 0.00 C ATOM 322 CG2 ILE A 29 9.154 5.317 1.055 1.00 0.00 C ATOM 323 CD1 ILE A 29 11.566 6.778 0.427 1.00 0.00 C ATOM 0 H ILE A 29 9.130 2.497 0.648 1.00 0.00 H new ATOM 0 HA ILE A 29 11.676 3.210 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 29 9.506 4.284 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.883 5.266 -1.046 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.500 6.296 -1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.584 6.117 0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 29 8.470 4.551 1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.725 5.722 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.212 7.491 -0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.730 7.308 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 29 12.135 6.263 1.201 1.00 0.00 H new ATOM 335 N ALA A 30 11.094 3.884 3.071 1.00 0.00 N ATOM 336 CA ALA A 30 11.704 4.339 4.313 1.00 0.00 C ATOM 337 C ALA A 30 12.892 3.463 4.702 1.00 0.00 C ATOM 338 O ALA A 30 13.736 3.868 5.501 1.00 0.00 O ATOM 339 CB ALA A 30 10.674 4.359 5.432 1.00 0.00 C ATOM 0 H ALA A 30 10.201 3.406 3.189 1.00 0.00 H new ATOM 0 HA ALA A 30 12.073 5.352 4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.145 4.701 6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.862 5.036 5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.277 3.355 5.579 1.00 0.00 H new ATOM 345 N TRP A 31 12.946 2.256 4.146 1.00 0.00 N ATOM 346 CA TRP A 31 14.023 1.321 4.452 1.00 0.00 C ATOM 347 C TRP A 31 15.283 1.605 3.625 1.00 0.00 C ATOM 348 O TRP A 31 16.350 1.868 4.180 1.00 0.00 O ATOM 349 CB TRP A 31 13.548 -0.128 4.227 1.00 0.00 C ATOM 350 CG TRP A 31 14.398 -0.904 3.261 1.00 0.00 C ATOM 351 CD1 TRP A 31 15.681 -1.328 3.458 1.00 0.00 C ATOM 352 CD2 TRP A 31 14.033 -1.327 1.943 1.00 0.00 C ATOM 353 NE1 TRP A 31 16.137 -1.984 2.342 1.00 0.00 N ATOM 354 CE2 TRP A 31 15.142 -1.999 1.399 1.00 0.00 C ATOM 355 CE3 TRP A 31 12.875 -1.205 1.169 1.00 0.00 C ATOM 356 CZ2 TRP A 31 15.128 -2.541 0.118 1.00 0.00 C ATOM 357 CZ3 TRP A 31 12.862 -1.748 -0.101 1.00 0.00 C ATOM 358 CH2 TRP A 31 13.983 -2.408 -0.615 1.00 0.00 C ATOM 0 H TRP A 31 12.257 1.903 3.482 1.00 0.00 H new ATOM 0 HA TRP A 31 14.287 1.455 5.501 1.00 0.00 H new ATOM 0 HB2 TRP A 31 13.536 -0.649 5.184 1.00 0.00 H new ATOM 0 HB3 TRP A 31 12.522 -0.111 3.860 1.00 0.00 H new ATOM 0 HD1 TRP A 31 16.253 -1.170 4.360 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.065 -2.394 2.232 1.00 0.00 H new ATOM 0 HE3 TRP A 31 12.006 -0.695 1.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 15.992 -3.049 -0.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 11.972 -1.662 -0.707 1.00 0.00 H new ATOM 0 HH2 TRP A 31 13.942 -2.821 -1.612 1.00 0.00 H new ATOM 369 N LEU A 32 15.165 1.507 2.301 1.00 0.00 N ATOM 370 CA LEU A 32 16.311 1.709 1.419 1.00 0.00 C ATOM 371 C LEU A 32 16.910 3.109 1.542 1.00 0.00 C ATOM 372 O LEU A 32 18.059 3.329 1.158 1.00 0.00 O ATOM 373 CB LEU A 32 15.957 1.382 -0.041 1.00 0.00 C ATOM 374 CG LEU A 32 15.149 2.436 -0.797 1.00 0.00 C ATOM 375 CD1 LEU A 32 13.949 2.872 0.017 1.00 0.00 C ATOM 376 CD2 LEU A 32 16.023 3.627 -1.160 1.00 0.00 C ATOM 0 H LEU A 32 14.292 1.290 1.819 1.00 0.00 H new ATOM 0 HA LEU A 32 17.081 1.010 1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.884 1.207 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.397 0.447 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 32 14.786 1.991 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.386 3.623 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.310 2.011 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.286 3.297 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.427 4.365 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.422 4.076 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 32 16.846 3.295 -1.792 1.00 0.00 H new ATOM 388 N VAL A 33 16.144 4.054 2.075 1.00 0.00 N ATOM 389 CA VAL A 33 16.634 5.419 2.235 1.00 0.00 C ATOM 390 C VAL A 33 17.313 5.607 3.592 1.00 0.00 C ATOM 391 O VAL A 33 18.138 6.504 3.761 1.00 0.00 O ATOM 392 CB VAL A 33 15.497 6.449 2.071 1.00 0.00 C ATOM 393 CG1 VAL A 33 15.952 7.842 2.489 1.00 0.00 C ATOM 394 CG2 VAL A 33 15.004 6.459 0.633 1.00 0.00 C ATOM 0 H VAL A 33 15.189 3.903 2.401 1.00 0.00 H new ATOM 0 HA VAL A 33 17.370 5.589 1.449 1.00 0.00 H new ATOM 0 HB VAL A 33 14.675 6.156 2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 33 15.130 8.546 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.259 7.826 3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.793 8.151 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.202 7.189 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.826 6.725 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.630 5.469 0.370 1.00 0.00 H new ATOM 404 N ARG A 34 16.966 4.757 4.554 1.00 0.00 N ATOM 405 CA ARG A 34 17.551 4.838 5.888 1.00 0.00 C ATOM 406 C ARG A 34 18.499 3.669 6.137 1.00 0.00 C ATOM 407 O ARG A 34 18.201 2.770 6.924 1.00 0.00 O ATOM 408 CB ARG A 34 16.452 4.857 6.953 1.00 0.00 C ATOM 409 CG ARG A 34 15.987 6.255 7.324 1.00 0.00 C ATOM 410 CD ARG A 34 15.360 6.968 6.137 1.00 0.00 C ATOM 411 NE ARG A 34 15.126 8.384 6.409 1.00 0.00 N ATOM 412 CZ ARG A 34 16.097 9.288 6.521 1.00 0.00 C ATOM 413 NH1 ARG A 34 17.367 8.928 6.385 1.00 0.00 N ATOM 414 NH2 ARG A 34 15.796 10.556 6.769 1.00 0.00 N ATOM 0 H ARG A 34 16.285 4.007 4.435 1.00 0.00 H new ATOM 0 HA ARG A 34 18.121 5.765 5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.598 4.283 6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 34 16.817 4.355 7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.264 6.195 8.137 1.00 0.00 H new ATOM 0 HG3 ARG A 34 16.833 6.835 7.692 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.012 6.869 5.269 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.415 6.487 5.883 1.00 0.00 H new ATOM 0 HE ARG A 34 14.162 8.699 6.520 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.603 7.954 6.194 1.00 0.00 H new ATOM 0 HH12 ARG A 34 18.107 9.625 6.472 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.821 10.838 6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.539 11.249 6.855 1.00 0.00 H new