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 -51:sc= 0.0761 USER MOD Single : A 18 SER OG : rot 59:sc= 0.692 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -142:sc= -0.406 (180deg=-2.01!) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 12 -15.929 -2.726 2.607 1.00 0.00 N ATOM 68 CA PHE A 12 -14.966 -2.414 3.656 1.00 0.00 C ATOM 69 C PHE A 12 -13.552 -2.796 3.229 1.00 0.00 C ATOM 70 O PHE A 12 -12.627 -1.990 3.318 1.00 0.00 O ATOM 71 CB PHE A 12 -15.335 -3.142 4.949 1.00 0.00 C ATOM 72 CG PHE A 12 -14.420 -2.826 6.098 1.00 0.00 C ATOM 73 CD1 PHE A 12 -14.049 -1.519 6.367 1.00 0.00 C ATOM 74 CD2 PHE A 12 -13.932 -3.838 6.910 1.00 0.00 C ATOM 75 CE1 PHE A 12 -13.208 -1.226 7.423 1.00 0.00 C ATOM 76 CE2 PHE A 12 -13.090 -3.551 7.968 1.00 0.00 C ATOM 77 CZ PHE A 12 -12.728 -2.243 8.225 1.00 0.00 C ATOM 0 HA PHE A 12 -14.994 -1.339 3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.356 -2.879 5.225 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -15.320 -4.217 4.768 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.422 -0.719 5.744 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.213 -4.862 6.714 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.926 -0.203 7.621 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.716 -4.348 8.593 1.00 0.00 H new ATOM 0 HZ PHE A 12 -12.071 -2.016 9.051 1.00 0.00 H new ATOM 87 N THR A 13 -13.394 -4.032 2.765 1.00 0.00 N ATOM 88 CA THR A 13 -12.093 -4.522 2.325 1.00 0.00 C ATOM 89 C THR A 13 -11.759 -4.003 0.930 1.00 0.00 C ATOM 90 O THR A 13 -10.595 -3.770 0.605 1.00 0.00 O ATOM 91 CB THR A 13 -12.072 -6.051 2.331 1.00 0.00 C ATOM 92 OG1 THR A 13 -10.838 -6.537 1.833 1.00 0.00 O ATOM 93 CG2 THR A 13 -13.177 -6.668 1.501 1.00 0.00 C ATOM 0 H THR A 13 -14.150 -4.712 2.684 1.00 0.00 H new ATOM 0 HA THR A 13 -11.340 -4.152 3.021 1.00 0.00 H new ATOM 0 HB THR A 13 -12.219 -6.338 3.372 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.843 -7.517 1.846 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.104 -7.755 1.548 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.145 -6.352 1.891 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.079 -6.343 0.465 1.00 0.00 H new ATOM 101 N SER A 14 -12.789 -3.824 0.108 1.00 0.00 N ATOM 102 CA SER A 14 -12.605 -3.332 -1.252 1.00 0.00 C ATOM 103 C SER A 14 -12.615 -1.807 -1.286 1.00 0.00 C ATOM 104 O SER A 14 -11.957 -1.191 -2.124 1.00 0.00 O ATOM 105 CB SER A 14 -13.700 -3.882 -2.168 1.00 0.00 C ATOM 106 OG SER A 14 -13.873 -5.275 -1.978 1.00 0.00 O ATOM 0 H SER A 14 -13.759 -4.012 0.361 1.00 0.00 H new ATOM 0 HA SER A 14 -11.635 -3.678 -1.609 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.639 -3.365 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.442 -3.683 -3.208 1.00 0.00 H new ATOM 0 HG SER A 14 -14.579 -5.601 -2.574 1.00 0.00 H new ATOM 112 N ASP A 15 -13.367 -1.205 -0.370 1.00 0.00 N ATOM 113 CA ASP A 15 -13.464 0.248 -0.296 1.00 0.00 C ATOM 114 C ASP A 15 -12.198 0.849 0.306 1.00 0.00 C ATOM 115 O ASP A 15 -11.763 1.930 -0.092 1.00 0.00 O ATOM 116 CB ASP A 15 -14.681 0.657 0.535 1.00 0.00 C ATOM 117 CG ASP A 15 -14.990 2.137 0.420 1.00 0.00 C ATOM 118 OD1 ASP A 15 -15.655 2.530 -0.561 1.00 0.00 O ATOM 119 OD2 ASP A 15 -14.566 2.902 1.312 1.00 0.00 O ATOM 0 H ASP A 15 -13.918 -1.701 0.331 1.00 0.00 H new ATOM 0 HA ASP A 15 -13.579 0.631 -1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.548 0.082 0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.504 0.406 1.581 1.00 0.00 H new ATOM 124 N VAL A 16 -11.611 0.143 1.267 1.00 0.00 N ATOM 125 CA VAL A 16 -10.396 0.609 1.924 1.00 0.00 C ATOM 126 C VAL A 16 -9.190 0.494 0.996 1.00 0.00 C ATOM 127 O VAL A 16 -8.395 1.425 0.879 1.00 0.00 O ATOM 128 CB VAL A 16 -10.119 -0.179 3.220 1.00 0.00 C ATOM 129 CG1 VAL A 16 -9.903 -1.655 2.920 1.00 0.00 C ATOM 130 CG2 VAL A 16 -8.921 0.403 3.955 1.00 0.00 C ATOM 0 H VAL A 16 -11.957 -0.754 1.608 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.554 1.658 2.177 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.992 -0.090 3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.709 -2.191 3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.795 -2.064 2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.050 -1.769 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.742 -0.167 4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.040 0.350 3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.121 1.443 4.211 1.00 0.00 H new ATOM 140 N SER A 17 -9.062 -0.652 0.336 1.00 0.00 N ATOM 141 CA SER A 17 -7.952 -0.885 -0.583 1.00 0.00 C ATOM 142 C SER A 17 -7.923 0.163 -1.695 1.00 0.00 C ATOM 143 O SER A 17 -6.897 0.361 -2.345 1.00 0.00 O ATOM 144 CB SER A 17 -8.057 -2.285 -1.193 1.00 0.00 C ATOM 145 OG SER A 17 -8.979 -2.306 -2.269 1.00 0.00 O ATOM 0 H SER A 17 -9.712 -1.434 0.420 1.00 0.00 H new ATOM 0 HA SER A 17 -7.025 -0.806 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.076 -2.606 -1.544 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.370 -2.996 -0.428 1.00 0.00 H new ATOM 0 HG SER A 17 -9.827 -1.909 -1.981 1.00 0.00 H new ATOM 151 N SER A 18 -9.056 0.823 -1.915 1.00 0.00 N ATOM 152 CA SER A 18 -9.162 1.840 -2.955 1.00 0.00 C ATOM 153 C SER A 18 -8.224 3.018 -2.695 1.00 0.00 C ATOM 154 O SER A 18 -7.776 3.677 -3.634 1.00 0.00 O ATOM 155 CB SER A 18 -10.604 2.341 -3.056 1.00 0.00 C ATOM 156 OG SER A 18 -11.494 1.277 -3.350 1.00 0.00 O ATOM 0 H SER A 18 -9.915 0.671 -1.386 1.00 0.00 H new ATOM 0 HA SER A 18 -8.867 1.378 -3.897 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.895 2.814 -2.118 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.674 3.103 -3.832 1.00 0.00 H new ATOM 0 HG SER A 18 -11.431 0.595 -2.649 1.00 0.00 H new ATOM 162 N TYR A 19 -7.934 3.291 -1.425 1.00 0.00 N ATOM 163 CA TYR A 19 -7.055 4.403 -1.075 1.00 0.00 C ATOM 164 C TYR A 19 -5.583 3.997 -1.152 1.00 0.00 C ATOM 165 O TYR A 19 -4.766 4.708 -1.736 1.00 0.00 O ATOM 166 CB TYR A 19 -7.408 4.955 0.318 1.00 0.00 C ATOM 167 CG TYR A 19 -6.669 4.307 1.474 1.00 0.00 C ATOM 168 CD1 TYR A 19 -5.323 4.569 1.701 1.00 0.00 C ATOM 169 CD2 TYR A 19 -7.324 3.444 2.343 1.00 0.00 C ATOM 170 CE1 TYR A 19 -4.651 3.986 2.758 1.00 0.00 C ATOM 171 CE2 TYR A 19 -6.659 2.859 3.404 1.00 0.00 C ATOM 172 CZ TYR A 19 -5.323 3.132 3.606 1.00 0.00 C ATOM 173 OH TYR A 19 -4.658 2.551 4.661 1.00 0.00 O ATOM 0 H TYR A 19 -8.291 2.763 -0.629 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.211 5.197 -1.805 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -7.203 6.025 0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.479 4.834 0.479 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.794 5.239 1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.370 3.226 2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.604 4.198 2.919 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.183 2.191 4.071 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.276 1.978 5.161 1.00 0.00 H new ATOM 183 N LEU A 20 -5.249 2.854 -0.561 1.00 0.00 N ATOM 184 CA LEU A 20 -3.872 2.369 -0.572 1.00 0.00 C ATOM 185 C LEU A 20 -3.477 1.883 -1.963 1.00 0.00 C ATOM 186 O LEU A 20 -4.327 1.465 -2.750 1.00 0.00 O ATOM 187 CB LEU A 20 -3.690 1.239 0.445 1.00 0.00 C ATOM 188 CG LEU A 20 -4.808 0.193 0.462 1.00 0.00 C ATOM 189 CD1 LEU A 20 -4.229 -1.213 0.407 1.00 0.00 C ATOM 190 CD2 LEU A 20 -5.677 0.363 1.699 1.00 0.00 C ATOM 0 H LEU A 20 -5.908 2.249 -0.071 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.223 3.200 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.746 0.735 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.608 1.677 1.440 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.430 0.342 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.040 -1.941 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.649 -1.332 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.583 -1.374 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.467 -0.388 1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.065 0.242 2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.123 1.358 1.697 1.00 0.00 H new ATOM 261 N LYS A 26 4.056 -2.497 0.515 1.00 0.00 N ATOM 262 CA LYS A 26 4.872 -3.100 1.563 1.00 0.00 C ATOM 263 C LYS A 26 6.355 -2.884 1.282 1.00 0.00 C ATOM 264 O LYS A 26 7.081 -2.367 2.132 1.00 0.00 O ATOM 265 CB LYS A 26 4.551 -4.592 1.700 1.00 0.00 C ATOM 266 CG LYS A 26 4.270 -5.053 3.132 1.00 0.00 C ATOM 267 CD LYS A 26 3.511 -4.014 3.960 1.00 0.00 C ATOM 268 CE LYS A 26 2.293 -3.468 3.225 1.00 0.00 C ATOM 269 NZ LYS A 26 2.347 -2.013 3.068 1.00 0.00 N ATOM 0 HA LYS A 26 4.635 -2.613 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.684 -4.822 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.387 -5.168 1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.693 -5.977 3.103 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.215 -5.282 3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.194 -4.464 4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.181 -3.191 4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.224 -3.935 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.390 -3.739 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.394 -1.615 3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.984 -1.610 3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.702 -1.779 2.119 1.00 0.00 H new ATOM 281 N GLU A 27 6.803 -3.246 0.080 1.00 0.00 N ATOM 282 CA GLU A 27 8.203 -3.042 -0.292 1.00 0.00 C ATOM 283 C GLU A 27 8.585 -1.589 -0.025 1.00 0.00 C ATOM 284 O GLU A 27 9.730 -1.272 0.298 1.00 0.00 O ATOM 285 CB GLU A 27 8.424 -3.387 -1.766 1.00 0.00 C ATOM 286 CG GLU A 27 8.190 -4.854 -2.089 1.00 0.00 C ATOM 287 CD GLU A 27 9.270 -5.434 -2.981 1.00 0.00 C ATOM 288 OE1 GLU A 27 9.820 -4.683 -3.813 1.00 0.00 O ATOM 289 OE2 GLU A 27 9.565 -6.641 -2.848 1.00 0.00 O ATOM 0 H GLU A 27 6.227 -3.676 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 27 8.833 -3.700 0.307 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.758 -2.778 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.444 -3.120 -2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.146 -5.424 -1.161 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.222 -4.965 -2.578 1.00 0.00 H new ATOM 296 N PHE A 28 7.584 -0.721 -0.138 1.00 0.00 N ATOM 297 CA PHE A 28 7.733 0.707 0.109 1.00 0.00 C ATOM 298 C PHE A 28 8.333 0.944 1.481 1.00 0.00 C ATOM 299 O PHE A 28 9.483 1.346 1.612 1.00 0.00 O ATOM 300 CB PHE A 28 6.351 1.345 0.059 1.00 0.00 C ATOM 301 CG PHE A 28 6.284 2.822 0.271 1.00 0.00 C ATOM 302 CD1 PHE A 28 7.207 3.709 -0.264 1.00 0.00 C ATOM 303 CD2 PHE A 28 5.246 3.318 1.018 1.00 0.00 C ATOM 304 CE1 PHE A 28 7.072 5.068 -0.049 1.00 0.00 C ATOM 305 CE2 PHE A 28 5.101 4.659 1.235 1.00 0.00 C ATOM 306 CZ PHE A 28 6.013 5.546 0.701 1.00 0.00 C ATOM 0 H PHE A 28 6.638 -0.993 -0.406 1.00 0.00 H new ATOM 0 HA PHE A 28 8.391 1.141 -0.644 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.908 1.120 -0.911 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.727 0.865 0.813 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.034 3.337 -0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.528 2.633 1.444 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.793 5.756 -0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.273 5.025 1.824 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.901 6.607 0.868 1.00 0.00 H new ATOM 316 N ILE A 29 7.526 0.687 2.502 1.00 0.00 N ATOM 317 CA ILE A 29 7.933 0.872 3.882 1.00 0.00 C ATOM 318 C ILE A 29 9.328 0.294 4.167 1.00 0.00 C ATOM 319 O ILE A 29 9.971 0.668 5.145 1.00 0.00 O ATOM 320 CB ILE A 29 6.872 0.298 4.844 1.00 0.00 C ATOM 321 CG1 ILE A 29 6.676 1.253 6.027 1.00 0.00 C ATOM 322 CG2 ILE A 29 7.242 -1.104 5.318 1.00 0.00 C ATOM 323 CD1 ILE A 29 5.835 0.678 7.149 1.00 0.00 C ATOM 0 H ILE A 29 6.571 0.345 2.393 1.00 0.00 H new ATOM 0 HA ILE A 29 8.007 1.945 4.057 1.00 0.00 H new ATOM 0 HB ILE A 29 5.929 0.209 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 29 7.653 1.529 6.424 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.207 2.169 5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.471 -1.475 5.994 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.322 -1.769 4.458 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.198 -1.071 5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.743 1.413 7.948 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.844 0.428 6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.312 -0.222 7.537 1.00 0.00 H new ATOM 335 N ALA A 30 9.799 -0.606 3.308 1.00 0.00 N ATOM 336 CA ALA A 30 11.123 -1.196 3.480 1.00 0.00 C ATOM 337 C ALA A 30 12.211 -0.266 2.928 1.00 0.00 C ATOM 338 O ALA A 30 13.382 -0.381 3.288 1.00 0.00 O ATOM 339 CB ALA A 30 11.189 -2.554 2.796 1.00 0.00 C ATOM 0 H ALA A 30 9.288 -0.941 2.491 1.00 0.00 H new ATOM 0 HA ALA A 30 11.301 -1.332 4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.182 -2.982 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.444 -3.218 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.988 -2.435 1.731 1.00 0.00 H new ATOM 345 N TRP A 31 11.808 0.653 2.049 1.00 0.00 N ATOM 346 CA TRP A 31 12.729 1.610 1.433 1.00 0.00 C ATOM 347 C TRP A 31 13.138 2.702 2.418 1.00 0.00 C ATOM 348 O TRP A 31 14.320 3.007 2.579 1.00 0.00 O ATOM 349 CB TRP A 31 12.069 2.250 0.191 1.00 0.00 C ATOM 350 CG TRP A 31 11.889 3.750 0.275 1.00 0.00 C ATOM 351 CD1 TRP A 31 12.754 4.706 -0.180 1.00 0.00 C ATOM 352 CD2 TRP A 31 10.782 4.463 0.854 1.00 0.00 C ATOM 353 NE1 TRP A 31 12.256 5.963 0.084 1.00 0.00 N ATOM 354 CE2 TRP A 31 11.047 5.839 0.716 1.00 0.00 C ATOM 355 CE3 TRP A 31 9.593 4.075 1.477 1.00 0.00 C ATOM 356 CZ2 TRP A 31 10.163 6.819 1.180 1.00 0.00 C ATOM 357 CZ3 TRP A 31 8.725 5.045 1.935 1.00 0.00 C ATOM 358 CH2 TRP A 31 9.013 6.402 1.783 1.00 0.00 C ATOM 0 H TRP A 31 10.840 0.755 1.745 1.00 0.00 H new ATOM 0 HA TRP A 31 13.626 1.068 1.134 1.00 0.00 H new ATOM 0 HB2 TRP A 31 12.674 2.019 -0.685 1.00 0.00 H new ATOM 0 HB3 TRP A 31 11.094 1.788 0.036 1.00 0.00 H new ATOM 0 HD1 TRP A 31 13.693 4.505 -0.675 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.713 6.843 -0.153 1.00 0.00 H new ATOM 0 HE3 TRP A 31 9.356 3.028 1.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 10.384 7.870 1.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.806 4.749 2.420 1.00 0.00 H new ATOM 0 HH2 TRP A 31 8.311 7.136 2.150 1.00 0.00 H new ATOM 369 N LEU A 32 12.138 3.310 3.036 1.00 0.00 N ATOM 370 CA LEU A 32 12.353 4.403 3.971 1.00 0.00 C ATOM 371 C LEU A 32 12.854 3.925 5.333 1.00 0.00 C ATOM 372 O LEU A 32 13.414 4.708 6.099 1.00 0.00 O ATOM 373 CB LEU A 32 11.072 5.241 4.097 1.00 0.00 C ATOM 374 CG LEU A 32 9.958 4.676 4.984 1.00 0.00 C ATOM 375 CD1 LEU A 32 9.674 3.228 4.643 1.00 0.00 C ATOM 376 CD2 LEU A 32 10.305 4.829 6.457 1.00 0.00 C ATOM 0 H LEU A 32 11.158 3.061 2.904 1.00 0.00 H new ATOM 0 HA LEU A 32 13.147 5.033 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.346 6.224 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.666 5.392 3.097 1.00 0.00 H new ATOM 0 HG LEU A 32 9.052 5.250 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.879 2.852 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.362 3.154 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.576 2.635 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.498 4.420 7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.229 4.291 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.437 5.885 6.692 1.00 0.00 H new ATOM 388 N VAL A 33 12.664 2.646 5.636 1.00 0.00 N ATOM 389 CA VAL A 33 13.117 2.101 6.910 1.00 0.00 C ATOM 390 C VAL A 33 14.587 1.687 6.837 1.00 0.00 C ATOM 391 O VAL A 33 15.262 1.583 7.861 1.00 0.00 O ATOM 392 CB VAL A 33 12.261 0.893 7.348 1.00 0.00 C ATOM 393 CG1 VAL A 33 12.850 0.225 8.584 1.00 0.00 C ATOM 394 CG2 VAL A 33 10.827 1.326 7.609 1.00 0.00 C ATOM 0 H VAL A 33 12.204 1.973 5.023 1.00 0.00 H new ATOM 0 HA VAL A 33 13.005 2.891 7.652 1.00 0.00 H new ATOM 0 HB VAL A 33 12.263 0.164 6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 33 12.228 -0.623 8.871 1.00 0.00 H new ATOM 0 HG12 VAL A 33 13.859 -0.124 8.363 1.00 0.00 H new ATOM 0 HG13 VAL A 33 12.886 0.943 9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.237 0.463 7.917 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.812 2.077 8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.403 1.749 6.698 1.00 0.00 H new ATOM 404 N ARG A 34 15.078 1.455 5.622 1.00 0.00 N ATOM 405 CA ARG A 34 16.466 1.057 5.425 1.00 0.00 C ATOM 406 C ARG A 34 17.368 2.280 5.293 1.00 0.00 C ATOM 407 O ARG A 34 18.378 2.397 5.987 1.00 0.00 O ATOM 408 CB ARG A 34 16.596 0.178 4.179 1.00 0.00 C ATOM 409 CG ARG A 34 17.957 -0.485 4.042 1.00 0.00 C ATOM 410 CD ARG A 34 18.653 -0.077 2.753 1.00 0.00 C ATOM 411 NE ARG A 34 19.956 -0.723 2.605 1.00 0.00 N ATOM 412 CZ ARG A 34 21.061 -0.313 3.223 1.00 0.00 C ATOM 413 NH1 ARG A 34 21.027 0.739 4.032 1.00 0.00 N ATOM 414 NH2 ARG A 34 22.204 -0.957 3.033 1.00 0.00 N ATOM 0 H ARG A 34 14.535 1.536 4.762 1.00 0.00 H new ATOM 0 HA ARG A 34 16.781 0.486 6.298 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.826 -0.593 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 34 16.406 0.786 3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 34 18.581 -0.215 4.894 1.00 0.00 H new ATOM 0 HG3 ARG A 34 17.838 -1.568 4.065 1.00 0.00 H new ATOM 0 HD2 ARG A 34 18.022 -0.336 1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 34 18.781 1.005 2.737 1.00 0.00 H new ATOM 0 HE ARG A 34 20.022 -1.536 1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 34 20.150 1.238 4.183 1.00 0.00 H new ATOM 0 HH12 ARG A 34 21.877 1.048 4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 34 22.236 -1.766 2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 34 23.051 -0.643 3.507 1.00 0.00 H new