USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 272 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 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 103:sc= 0.588! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N THR A 2 10.020 -42.525 0.673 1.00 0.00 N ATOM 19 CA THR A 2 9.164 -41.457 0.172 1.00 0.00 C ATOM 20 C THR A 2 9.154 -40.279 1.139 1.00 0.00 C ATOM 21 O THR A 2 8.574 -39.231 0.852 1.00 0.00 O ATOM 22 CB THR A 2 7.737 -41.977 -0.017 1.00 0.00 C ATOM 23 OG1 THR A 2 7.027 -41.856 1.207 1.00 0.00 O ATOM 24 CG2 THR A 2 7.779 -43.445 -0.444 1.00 0.00 C ATOM 0 HA THR A 2 9.558 -41.121 -0.787 1.00 0.00 H new ATOM 0 HB THR A 2 7.235 -41.393 -0.788 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.112 -42.187 1.089 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.762 -43.814 -0.578 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.325 -43.535 -1.383 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.280 -44.033 0.325 1.00 0.00 H new ATOM 32 N TYR A 3 9.800 -40.457 2.287 1.00 0.00 N ATOM 33 CA TYR A 3 9.859 -39.401 3.292 1.00 0.00 C ATOM 34 C TYR A 3 10.166 -38.056 2.642 1.00 0.00 C ATOM 35 O TYR A 3 9.772 -37.006 3.150 1.00 0.00 O ATOM 36 CB TYR A 3 10.937 -39.727 4.327 1.00 0.00 C ATOM 37 CG TYR A 3 10.334 -40.538 5.449 1.00 0.00 C ATOM 38 CD1 TYR A 3 9.518 -41.638 5.158 1.00 0.00 C ATOM 39 CD2 TYR A 3 10.591 -40.190 6.780 1.00 0.00 C ATOM 40 CE1 TYR A 3 8.959 -42.390 6.199 1.00 0.00 C ATOM 41 CE2 TYR A 3 10.032 -40.941 7.820 1.00 0.00 C ATOM 42 CZ TYR A 3 9.216 -42.040 7.529 1.00 0.00 C ATOM 43 OH TYR A 3 8.665 -42.782 8.556 1.00 0.00 O ATOM 0 H TYR A 3 10.287 -41.316 2.544 1.00 0.00 H new ATOM 0 HA TYR A 3 8.888 -39.339 3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 3 11.749 -40.283 3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 3 11.367 -38.806 4.721 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.320 -41.907 4.131 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.221 -39.342 7.004 1.00 0.00 H new ATOM 0 HE1 TYR A 3 8.330 -43.239 5.975 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.230 -40.673 8.847 1.00 0.00 H new ATOM 0 HH TYR A 3 8.943 -42.406 9.417 1.00 0.00 H new ATOM 53 N PHE A 4 10.874 -38.094 1.518 1.00 0.00 N ATOM 54 CA PHE A 4 11.231 -36.871 0.810 1.00 0.00 C ATOM 55 C PHE A 4 10.023 -36.300 0.074 1.00 0.00 C ATOM 56 O PHE A 4 9.903 -35.087 -0.095 1.00 0.00 O ATOM 57 CB PHE A 4 12.351 -37.157 -0.192 1.00 0.00 C ATOM 58 CG PHE A 4 13.691 -36.961 0.476 1.00 0.00 C ATOM 59 CD1 PHE A 4 13.843 -37.248 1.838 1.00 0.00 C ATOM 60 CD2 PHE A 4 14.782 -36.492 -0.266 1.00 0.00 C ATOM 61 CE1 PHE A 4 15.085 -37.067 2.457 1.00 0.00 C ATOM 62 CE2 PHE A 4 16.024 -36.311 0.353 1.00 0.00 C ATOM 63 CZ PHE A 4 16.176 -36.598 1.715 1.00 0.00 C ATOM 0 H PHE A 4 11.210 -38.952 1.081 1.00 0.00 H new ATOM 0 HA PHE A 4 11.573 -36.139 1.542 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.266 -38.177 -0.566 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.262 -36.493 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 4 13.002 -37.609 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.665 -36.270 -1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 4 15.202 -37.289 3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 4 16.865 -35.950 -0.220 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.134 -36.458 2.193 1.00 0.00 H new ATOM 73 N TYR A 5 9.131 -37.182 -0.364 1.00 0.00 N ATOM 74 CA TYR A 5 7.937 -36.753 -1.085 1.00 0.00 C ATOM 75 C TYR A 5 6.874 -36.243 -0.117 1.00 0.00 C ATOM 76 O TYR A 5 6.317 -35.161 -0.306 1.00 0.00 O ATOM 77 CB TYR A 5 7.370 -37.920 -1.895 1.00 0.00 C ATOM 78 CG TYR A 5 8.230 -38.151 -3.114 1.00 0.00 C ATOM 79 CD1 TYR A 5 9.416 -38.886 -3.003 1.00 0.00 C ATOM 80 CD2 TYR A 5 7.842 -37.630 -4.353 1.00 0.00 C ATOM 81 CE1 TYR A 5 10.215 -39.100 -4.132 1.00 0.00 C ATOM 82 CE2 TYR A 5 8.640 -37.845 -5.484 1.00 0.00 C ATOM 83 CZ TYR A 5 9.827 -38.580 -5.373 1.00 0.00 C ATOM 84 OH TYR A 5 10.613 -38.792 -6.486 1.00 0.00 O ATOM 0 H TYR A 5 9.210 -38.191 -0.234 1.00 0.00 H new ATOM 0 HA TYR A 5 8.217 -35.942 -1.757 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.339 -38.821 -1.282 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.345 -37.704 -2.196 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.715 -39.288 -2.046 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.927 -37.062 -4.438 1.00 0.00 H new ATOM 0 HE1 TYR A 5 11.131 -39.666 -4.046 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.340 -37.444 -6.441 1.00 0.00 H new ATOM 0 HH TYR A 5 10.199 -38.365 -7.265 1.00 0.00 H new ATOM 94 N VAL A 6 6.594 -37.030 0.917 1.00 0.00 N ATOM 95 CA VAL A 6 5.591 -36.647 1.906 1.00 0.00 C ATOM 96 C VAL A 6 6.002 -35.366 2.626 1.00 0.00 C ATOM 97 O VAL A 6 5.172 -34.695 3.237 1.00 0.00 O ATOM 98 CB VAL A 6 5.407 -37.773 2.924 1.00 0.00 C ATOM 99 CG1 VAL A 6 6.552 -37.737 3.938 1.00 0.00 C ATOM 100 CG2 VAL A 6 4.074 -37.585 3.652 1.00 0.00 C ATOM 0 H VAL A 6 7.043 -37.929 1.092 1.00 0.00 H new ATOM 0 HA VAL A 6 4.649 -36.468 1.388 1.00 0.00 H new ATOM 0 HB VAL A 6 5.409 -38.734 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.421 -38.540 4.664 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.502 -37.868 3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.551 -36.777 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.940 -38.386 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.073 -36.624 4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.258 -37.610 2.930 1.00 0.00 H new ATOM 110 N THR A 7 7.286 -35.034 2.550 1.00 0.00 N ATOM 111 CA THR A 7 7.792 -33.830 3.200 1.00 0.00 C ATOM 112 C THR A 7 7.461 -32.593 2.370 1.00 0.00 C ATOM 113 O THR A 7 7.109 -31.546 2.912 1.00 0.00 O ATOM 114 CB THR A 7 9.308 -33.934 3.382 1.00 0.00 C ATOM 115 OG1 THR A 7 9.606 -35.033 4.230 1.00 0.00 O ATOM 116 CG2 THR A 7 9.838 -32.644 4.011 1.00 0.00 C ATOM 0 H THR A 7 7.990 -35.576 2.050 1.00 0.00 H new ATOM 0 HA THR A 7 7.314 -33.737 4.175 1.00 0.00 H new ATOM 0 HB THR A 7 9.782 -34.084 2.412 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.926 -35.786 3.690 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.918 -32.719 4.140 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.608 -31.801 3.360 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.366 -32.492 4.982 1.00 0.00 H new ATOM 124 N ASP A 8 7.578 -32.722 1.052 1.00 0.00 N ATOM 125 CA ASP A 8 7.290 -31.607 0.156 1.00 0.00 C ATOM 126 C ASP A 8 5.793 -31.344 0.089 1.00 0.00 C ATOM 127 O ASP A 8 5.355 -30.252 -0.271 1.00 0.00 O ATOM 128 CB ASP A 8 7.824 -31.908 -1.246 1.00 0.00 C ATOM 129 CG ASP A 8 7.140 -33.149 -1.809 1.00 0.00 C ATOM 130 OD1 ASP A 8 5.963 -33.326 -1.540 1.00 0.00 O ATOM 131 OD2 ASP A 8 7.803 -33.904 -2.499 1.00 0.00 O ATOM 0 H ASP A 8 7.868 -33.580 0.583 1.00 0.00 H new ATOM 0 HA ASP A 8 7.784 -30.717 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.647 -31.056 -1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 8 8.902 -32.063 -1.208 1.00 0.00 H new ATOM 136 N TYR A 9 5.019 -32.357 0.439 1.00 0.00 N ATOM 137 CA TYR A 9 3.565 -32.244 0.419 1.00 0.00 C ATOM 138 C TYR A 9 3.095 -31.148 1.372 1.00 0.00 C ATOM 139 O TYR A 9 1.977 -30.647 1.252 1.00 0.00 O ATOM 140 CB TYR A 9 2.933 -33.577 0.820 1.00 0.00 C ATOM 141 CG TYR A 9 1.447 -33.527 0.561 1.00 0.00 C ATOM 142 CD1 TYR A 9 0.942 -33.893 -0.693 1.00 0.00 C ATOM 143 CD2 TYR A 9 0.572 -33.114 1.574 1.00 0.00 C ATOM 144 CE1 TYR A 9 -0.437 -33.847 -0.933 1.00 0.00 C ATOM 145 CE2 TYR A 9 -0.806 -33.068 1.333 1.00 0.00 C ATOM 146 CZ TYR A 9 -1.311 -33.434 0.079 1.00 0.00 C ATOM 147 OH TYR A 9 -2.668 -33.389 -0.157 1.00 0.00 O ATOM 0 H TYR A 9 5.369 -33.266 0.740 1.00 0.00 H new ATOM 0 HA TYR A 9 3.255 -31.984 -0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.385 -34.391 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.123 -33.779 1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.616 -34.211 -1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.961 -32.831 2.541 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.826 -34.130 -1.900 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.480 -32.750 2.114 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.130 -33.082 0.651 1.00 0.00 H new ATOM 157 N LEU A 10 3.955 -30.782 2.317 1.00 0.00 N ATOM 158 CA LEU A 10 3.613 -29.746 3.284 1.00 0.00 C ATOM 159 C LEU A 10 4.164 -28.394 2.839 1.00 0.00 C ATOM 160 O LEU A 10 4.693 -27.632 3.649 1.00 0.00 O ATOM 161 CB LEU A 10 4.181 -30.103 4.658 1.00 0.00 C ATOM 162 CG LEU A 10 3.550 -29.204 5.720 1.00 0.00 C ATOM 163 CD1 LEU A 10 2.255 -29.842 6.224 1.00 0.00 C ATOM 164 CD2 LEU A 10 4.524 -29.036 6.888 1.00 0.00 C ATOM 0 H LEU A 10 4.885 -31.183 2.433 1.00 0.00 H new ATOM 0 HA LEU A 10 2.527 -29.681 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.979 -31.150 4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.264 -29.980 4.659 1.00 0.00 H new ATOM 0 HG LEU A 10 3.329 -28.228 5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.804 -29.201 6.982 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.561 -29.963 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.475 -30.817 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.075 -28.395 7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.744 -30.012 7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.448 -28.582 6.529 1.00 0.00 H new ATOM 272 N LYS A 18 2.569 -14.830 -4.927 1.00 0.00 N ATOM 273 CA LYS A 18 2.271 -13.699 -5.796 1.00 0.00 C ATOM 274 C LYS A 18 0.969 -13.063 -5.358 1.00 0.00 C ATOM 275 O LYS A 18 0.764 -11.858 -5.501 1.00 0.00 O ATOM 276 CB LYS A 18 2.158 -14.164 -7.250 1.00 0.00 C ATOM 277 CG LYS A 18 3.010 -13.265 -8.148 1.00 0.00 C ATOM 278 CD LYS A 18 2.313 -11.914 -8.324 1.00 0.00 C ATOM 279 CE LYS A 18 3.316 -10.887 -8.854 1.00 0.00 C ATOM 280 NZ LYS A 18 2.592 -9.651 -9.264 1.00 0.00 N ATOM 0 HA LYS A 18 3.078 -12.969 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.488 -15.199 -7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.117 -14.133 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.997 -13.123 -7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.159 -13.739 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.477 -12.012 -9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.901 -11.578 -7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.052 -10.652 -8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.862 -11.300 -9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.273 -8.953 -9.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.906 -9.882 -10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.091 -9.254 -8.444 1.00 0.00 H new ATOM 294 N ILE A 19 0.106 -13.889 -4.792 1.00 0.00 N ATOM 295 CA ILE A 19 -1.170 -13.415 -4.292 1.00 0.00 C ATOM 296 C ILE A 19 -0.967 -12.880 -2.887 1.00 0.00 C ATOM 297 O ILE A 19 -1.800 -12.148 -2.353 1.00 0.00 O ATOM 298 CB ILE A 19 -2.192 -14.553 -4.274 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.361 -15.111 -5.690 1.00 0.00 C ATOM 300 CG2 ILE A 19 -3.535 -14.025 -3.768 1.00 0.00 C ATOM 301 CD1 ILE A 19 -3.286 -14.200 -6.500 1.00 0.00 C ATOM 0 H ILE A 19 0.266 -14.889 -4.668 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.549 -12.627 -4.943 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.842 -15.345 -3.612 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.390 -15.186 -6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.775 -16.118 -5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.263 -14.836 -3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.414 -13.630 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.886 -13.232 -4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.402 -14.602 -7.506 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.261 -14.148 -6.015 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.854 -13.201 -6.556 1.00 0.00 H new ATOM 313 N ILE A 20 0.164 -13.258 -2.297 1.00 0.00 N ATOM 314 CA ILE A 20 0.499 -12.817 -0.947 1.00 0.00 C ATOM 315 C ILE A 20 1.073 -11.402 -0.975 1.00 0.00 C ATOM 316 O ILE A 20 0.631 -10.528 -0.230 1.00 0.00 O ATOM 317 CB ILE A 20 1.522 -13.775 -0.323 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.785 -14.915 0.386 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.393 -13.022 0.688 1.00 0.00 C ATOM 320 CD1 ILE A 20 0.500 -14.526 1.839 1.00 0.00 C ATOM 0 H ILE A 20 0.860 -13.865 -2.730 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.411 -12.817 -0.346 1.00 0.00 H new ATOM 0 HB ILE A 20 2.158 -14.183 -1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.149 -15.133 -0.131 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.386 -15.824 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.117 -13.708 1.127 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.920 -12.213 0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.762 -12.608 1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.024 -15.341 2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.440 -14.330 2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.119 -13.629 1.861 1.00 0.00 H new ATOM 332 N ILE A 21 2.064 -11.188 -1.835 1.00 0.00 N ATOM 333 CA ILE A 21 2.698 -9.879 -1.949 1.00 0.00 C ATOM 334 C ILE A 21 1.938 -8.987 -2.926 1.00 0.00 C ATOM 335 O ILE A 21 1.734 -7.802 -2.668 1.00 0.00 O ATOM 336 CB ILE A 21 4.142 -10.043 -2.422 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.916 -8.750 -2.154 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.155 -10.343 -3.922 1.00 0.00 C ATOM 339 CD1 ILE A 21 5.479 -8.775 -0.732 1.00 0.00 C ATOM 0 H ILE A 21 2.444 -11.899 -2.460 1.00 0.00 H new ATOM 0 HA ILE A 21 2.684 -9.406 -0.967 1.00 0.00 H new ATOM 0 HB ILE A 21 4.611 -10.866 -1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.726 -8.643 -2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.260 -7.889 -2.281 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.184 -10.460 -4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.603 -11.263 -4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.687 -9.520 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.030 -7.854 -0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.660 -8.861 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.149 -9.628 -0.621 1.00 0.00 H new ATOM 351 N GLY A 22 1.525 -9.564 -4.050 1.00 0.00 N ATOM 352 CA GLY A 22 0.792 -8.807 -5.060 1.00 0.00 C ATOM 353 C GLY A 22 -0.115 -7.758 -4.419 1.00 0.00 C ATOM 354 O GLY A 22 -0.036 -6.570 -4.743 1.00 0.00 O ATOM 0 H GLY A 22 1.683 -10.544 -4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.496 -8.319 -5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.193 -9.488 -5.664 1.00 0.00 H new ATOM 358 N PRO A 23 -0.971 -8.176 -3.526 1.00 0.00 N ATOM 359 CA PRO A 23 -1.921 -7.259 -2.827 1.00 0.00 C ATOM 360 C PRO A 23 -1.210 -6.075 -2.177 1.00 0.00 C ATOM 361 O PRO A 23 -1.733 -4.960 -2.165 1.00 0.00 O ATOM 362 CB PRO A 23 -2.581 -8.147 -1.768 1.00 0.00 C ATOM 363 CG PRO A 23 -2.412 -9.547 -2.257 1.00 0.00 C ATOM 364 CD PRO A 23 -1.129 -9.569 -3.085 1.00 0.00 C ATOM 0 HA PRO A 23 -2.636 -6.814 -3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.110 -8.012 -0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.635 -7.898 -1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.346 -10.244 -1.421 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.267 -9.853 -2.860 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.276 -9.900 -2.492 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.212 -10.250 -3.932 1.00 0.00 H new ATOM 372 N LEU A 24 -0.018 -6.317 -1.642 1.00 0.00 N ATOM 373 CA LEU A 24 0.743 -5.251 -1.002 1.00 0.00 C ATOM 374 C LEU A 24 1.455 -4.411 -2.048 1.00 0.00 C ATOM 375 O LEU A 24 1.567 -3.192 -1.907 1.00 0.00 O ATOM 376 CB LEU A 24 1.760 -5.836 -0.020 1.00 0.00 C ATOM 377 CG LEU A 24 2.588 -4.705 0.595 1.00 0.00 C ATOM 378 CD1 LEU A 24 2.545 -4.809 2.121 1.00 0.00 C ATOM 379 CD2 LEU A 24 4.038 -4.818 0.119 1.00 0.00 C ATOM 0 H LEU A 24 0.437 -7.230 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 24 0.050 -4.615 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.246 -6.392 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.413 -6.541 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 24 2.175 -3.745 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.135 -4.003 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.513 -4.729 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.956 -5.769 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.628 -4.013 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.449 -5.779 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.071 -4.743 -0.968 1.00 0.00 H new ATOM 391 N ILE A 25 1.914 -5.058 -3.109 1.00 0.00 N ATOM 392 CA ILE A 25 2.585 -4.342 -4.179 1.00 0.00 C ATOM 393 C ILE A 25 1.718 -3.166 -4.601 1.00 0.00 C ATOM 394 O ILE A 25 2.218 -2.109 -4.984 1.00 0.00 O ATOM 395 CB ILE A 25 2.823 -5.269 -5.373 1.00 0.00 C ATOM 396 CG1 ILE A 25 4.143 -6.024 -5.179 1.00 0.00 C ATOM 397 CG2 ILE A 25 2.890 -4.446 -6.662 1.00 0.00 C ATOM 398 CD1 ILE A 25 5.308 -5.031 -5.123 1.00 0.00 C ATOM 0 H ILE A 25 1.835 -6.065 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 25 3.552 -3.983 -3.825 1.00 0.00 H new ATOM 0 HB ILE A 25 2.002 -5.982 -5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.107 -6.607 -4.259 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.293 -6.728 -5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.060 -5.110 -7.509 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.950 -3.912 -6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.708 -3.729 -6.594 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.243 -5.574 -4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.350 -4.467 -6.055 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.161 -4.344 -4.289 1.00 0.00 H new ATOM 410 N PHE A 26 0.404 -3.364 -4.517 1.00 0.00 N ATOM 411 CA PHE A 26 -0.545 -2.320 -4.883 1.00 0.00 C ATOM 412 C PHE A 26 -0.467 -1.158 -3.895 1.00 0.00 C ATOM 413 O PHE A 26 -0.549 0.006 -4.285 1.00 0.00 O ATOM 414 CB PHE A 26 -1.966 -2.887 -4.891 1.00 0.00 C ATOM 415 CG PHE A 26 -2.383 -3.192 -6.310 1.00 0.00 C ATOM 416 CD1 PHE A 26 -2.745 -2.151 -7.173 1.00 0.00 C ATOM 417 CD2 PHE A 26 -2.409 -4.517 -6.762 1.00 0.00 C ATOM 418 CE1 PHE A 26 -3.134 -2.435 -8.488 1.00 0.00 C ATOM 419 CE2 PHE A 26 -2.798 -4.801 -8.077 1.00 0.00 C ATOM 420 CZ PHE A 26 -3.160 -3.760 -8.940 1.00 0.00 C ATOM 0 H PHE A 26 -0.024 -4.234 -4.200 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.292 -1.956 -5.879 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.010 -3.793 -4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.656 -2.171 -4.445 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.724 -1.129 -6.825 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.129 -5.320 -6.096 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.414 -1.632 -9.154 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.819 -5.823 -8.425 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.459 -3.979 -9.954 1.00 0.00 H new ATOM 430 N VAL A 27 -0.307 -1.487 -2.617 1.00 0.00 N ATOM 431 CA VAL A 27 -0.218 -0.463 -1.580 1.00 0.00 C ATOM 432 C VAL A 27 1.025 0.395 -1.782 1.00 0.00 C ATOM 433 O VAL A 27 0.985 1.614 -1.611 1.00 0.00 O ATOM 434 CB VAL A 27 -0.168 -1.120 -0.200 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.047 -0.040 0.879 1.00 0.00 C ATOM 436 CG2 VAL A 27 -1.449 -1.927 0.026 1.00 0.00 C ATOM 0 H VAL A 27 -0.237 -2.446 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.100 0.173 -1.647 1.00 0.00 H new ATOM 0 HB VAL A 27 0.695 -1.783 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.012 -0.510 1.862 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.865 0.534 0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.909 0.625 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.415 -2.396 1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.312 -1.263 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.534 -2.697 -0.741 1.00 0.00 H new ATOM 446 N PHE A 28 2.127 -0.249 -2.150 1.00 0.00 N ATOM 447 CA PHE A 28 3.377 0.465 -2.377 1.00 0.00 C ATOM 448 C PHE A 28 3.235 1.420 -3.555 1.00 0.00 C ATOM 449 O PHE A 28 3.700 2.558 -3.504 1.00 0.00 O ATOM 450 CB PHE A 28 4.507 -0.529 -2.655 1.00 0.00 C ATOM 451 CG PHE A 28 5.839 0.140 -2.415 1.00 0.00 C ATOM 452 CD1 PHE A 28 6.437 0.893 -3.433 1.00 0.00 C ATOM 453 CD2 PHE A 28 6.474 0.009 -1.176 1.00 0.00 C ATOM 454 CE1 PHE A 28 7.671 1.514 -3.210 1.00 0.00 C ATOM 455 CE2 PHE A 28 7.708 0.630 -0.952 1.00 0.00 C ATOM 456 CZ PHE A 28 8.307 1.383 -1.970 1.00 0.00 C ATOM 0 H PHE A 28 2.180 -1.257 -2.297 1.00 0.00 H new ATOM 0 HA PHE A 28 3.615 1.039 -1.482 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.405 -1.401 -2.009 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.447 -0.885 -3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.946 0.994 -4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.012 -0.572 -0.391 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.133 2.095 -3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.198 0.529 0.005 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.259 1.862 -1.798 1.00 0.00 H new ATOM 466 N LEU A 29 2.583 0.951 -4.612 1.00 0.00 N ATOM 467 CA LEU A 29 2.377 1.776 -5.794 1.00 0.00 C ATOM 468 C LEU A 29 1.537 2.996 -5.438 1.00 0.00 C ATOM 469 O LEU A 29 1.719 4.076 -5.999 1.00 0.00 O ATOM 470 CB LEU A 29 1.671 0.966 -6.884 1.00 0.00 C ATOM 471 CG LEU A 29 2.708 0.404 -7.858 1.00 0.00 C ATOM 472 CD1 LEU A 29 3.288 1.542 -8.702 1.00 0.00 C ATOM 473 CD2 LEU A 29 3.832 -0.272 -7.068 1.00 0.00 C ATOM 0 H LEU A 29 2.191 0.011 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 29 3.348 2.105 -6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.101 0.153 -6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.960 1.597 -7.418 1.00 0.00 H new ATOM 0 HG LEU A 29 2.234 -0.326 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.027 1.141 -9.396 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.487 2.023 -9.263 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.764 2.274 -8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.572 -0.673 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.306 0.458 -6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.419 -1.083 -6.468 1.00 0.00 H new ATOM 485 N PHE A 30 0.616 2.811 -4.498 1.00 0.00 N ATOM 486 CA PHE A 30 -0.252 3.900 -4.067 1.00 0.00 C ATOM 487 C PHE A 30 0.505 4.859 -3.153 1.00 0.00 C ATOM 488 O PHE A 30 0.275 6.067 -3.181 1.00 0.00 O ATOM 489 CB PHE A 30 -1.469 3.336 -3.326 1.00 0.00 C ATOM 490 CG PHE A 30 -2.722 3.611 -4.124 1.00 0.00 C ATOM 491 CD1 PHE A 30 -2.758 3.320 -5.494 1.00 0.00 C ATOM 492 CD2 PHE A 30 -3.847 4.156 -3.494 1.00 0.00 C ATOM 493 CE1 PHE A 30 -3.919 3.575 -6.233 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.008 4.410 -4.234 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.044 4.120 -5.603 1.00 0.00 C ATOM 0 H PHE A 30 0.452 1.923 -4.023 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.586 4.446 -4.950 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.350 2.263 -3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.548 3.790 -2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.890 2.899 -5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.819 4.380 -2.438 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.947 3.351 -7.289 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.876 4.830 -3.748 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.940 4.317 -6.173 1.00 0.00 H new ATOM 505 N SER A 31 1.405 4.313 -2.342 1.00 0.00 N ATOM 506 CA SER A 31 2.184 5.134 -1.421 1.00 0.00 C ATOM 507 C SER A 31 3.154 6.028 -2.182 1.00 0.00 C ATOM 508 O SER A 31 3.394 7.172 -1.796 1.00 0.00 O ATOM 509 CB SER A 31 2.959 4.242 -0.452 1.00 0.00 C ATOM 510 OG SER A 31 3.685 5.058 0.458 1.00 0.00 O ATOM 0 H SER A 31 1.612 3.315 -2.303 1.00 0.00 H new ATOM 0 HA SER A 31 1.495 5.766 -0.860 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.272 3.593 0.092 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.642 3.594 -1.002 1.00 0.00 H new ATOM 0 HG SER A 31 4.182 4.489 1.082 1.00 0.00 H new ATOM 516 N VAL A 32 3.711 5.495 -3.258 1.00 0.00 N ATOM 517 CA VAL A 32 4.664 6.248 -4.068 1.00 0.00 C ATOM 518 C VAL A 32 3.969 7.391 -4.805 1.00 0.00 C ATOM 519 O VAL A 32 4.435 8.530 -4.781 1.00 0.00 O ATOM 520 CB VAL A 32 5.335 5.322 -5.084 1.00 0.00 C ATOM 521 CG1 VAL A 32 6.431 6.090 -5.826 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.955 4.129 -4.353 1.00 0.00 C ATOM 0 H VAL A 32 3.523 4.550 -3.592 1.00 0.00 H new ATOM 0 HA VAL A 32 5.417 6.668 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 32 4.593 4.966 -5.798 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.910 5.431 -6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.991 6.941 -6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.174 6.445 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.434 3.468 -5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.698 4.486 -3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.176 3.582 -3.822 1.00 0.00 H new ATOM 532 N VAL A 33 2.857 7.079 -5.462 1.00 0.00 N ATOM 533 CA VAL A 33 2.112 8.090 -6.206 1.00 0.00 C ATOM 534 C VAL A 33 1.439 9.075 -5.255 1.00 0.00 C ATOM 535 O VAL A 33 1.657 10.284 -5.340 1.00 0.00 O ATOM 536 CB VAL A 33 1.053 7.417 -7.081 1.00 0.00 C ATOM 537 CG1 VAL A 33 1.741 6.575 -8.157 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.175 6.513 -6.213 1.00 0.00 C ATOM 0 H VAL A 33 2.454 6.143 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 33 2.812 8.637 -6.837 1.00 0.00 H new ATOM 0 HB VAL A 33 0.435 8.180 -7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.987 6.095 -8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.369 7.217 -8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.358 5.812 -7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.580 6.033 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.794 5.750 -5.740 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.315 7.111 -5.444 1.00 0.00 H new ATOM 548 N ILE A 34 0.618 8.548 -4.355 1.00 0.00 N ATOM 549 CA ILE A 34 -0.089 9.386 -3.391 1.00 0.00 C ATOM 550 C ILE A 34 0.894 10.143 -2.507 1.00 0.00 C ATOM 551 O ILE A 34 0.542 11.144 -1.882 1.00 0.00 O ATOM 552 CB ILE A 34 -0.999 8.520 -2.520 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.085 9.393 -1.885 1.00 0.00 C ATOM 554 CG2 ILE A 34 -0.169 7.860 -1.418 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.256 8.512 -1.446 1.00 0.00 C ATOM 0 H ILE A 34 0.425 7.550 -4.271 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.690 10.110 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.466 7.752 -3.136 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.679 9.931 -1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.427 10.142 -2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.816 7.242 -0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.604 7.237 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.298 8.630 -0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.029 9.133 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.667 7.995 -2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.907 7.780 -0.718 1.00 0.00 H new ATOM 567 N GLY A 35 2.120 9.648 -2.449 1.00 0.00 N ATOM 568 CA GLY A 35 3.150 10.268 -1.624 1.00 0.00 C ATOM 569 C GLY A 35 3.685 11.547 -2.246 1.00 0.00 C ATOM 570 O GLY A 35 3.631 12.616 -1.637 1.00 0.00 O ATOM 0 H GLY A 35 2.428 8.821 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.741 10.488 -0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.970 9.565 -1.479 1.00 0.00 H new ATOM 574 N SER A 36 4.195 11.434 -3.463 1.00 0.00 N ATOM 575 CA SER A 36 4.727 12.593 -4.156 1.00 0.00 C ATOM 576 C SER A 36 3.583 13.518 -4.513 1.00 0.00 C ATOM 577 O SER A 36 3.757 14.727 -4.661 1.00 0.00 O ATOM 578 CB SER A 36 5.462 12.160 -5.426 1.00 0.00 C ATOM 579 OG SER A 36 4.518 11.674 -6.371 1.00 0.00 O ATOM 0 H SER A 36 4.251 10.560 -3.985 1.00 0.00 H new ATOM 0 HA SER A 36 5.434 13.111 -3.508 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.014 13.001 -5.845 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.192 11.385 -5.192 1.00 0.00 H new ATOM 0 HG SER A 36 4.985 11.397 -7.187 1.00 0.00 H new ATOM 585 N ILE A 37 2.406 12.925 -4.644 1.00 0.00 N ATOM 586 CA ILE A 37 1.209 13.687 -4.982 1.00 0.00 C ATOM 587 C ILE A 37 0.718 14.477 -3.774 1.00 0.00 C ATOM 588 O ILE A 37 0.241 15.604 -3.908 1.00 0.00 O ATOM 589 CB ILE A 37 0.109 12.746 -5.467 1.00 0.00 C ATOM 590 CG1 ILE A 37 0.351 12.396 -6.937 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.250 13.434 -5.323 1.00 0.00 C ATOM 592 CD1 ILE A 37 -0.545 11.223 -7.339 1.00 0.00 C ATOM 0 H ILE A 37 2.252 11.924 -4.523 1.00 0.00 H new ATOM 0 HA ILE A 37 1.459 14.387 -5.779 1.00 0.00 H new ATOM 0 HB ILE A 37 0.119 11.834 -4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.140 13.260 -7.567 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.398 12.137 -7.092 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.036 12.763 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.422 13.685 -4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.262 14.345 -5.921 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.372 10.975 -8.386 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.313 10.358 -6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.590 11.499 -7.200 1.00 0.00 H new ATOM 604 N TYR A 38 0.834 13.873 -2.597 1.00 0.00 N ATOM 605 CA TYR A 38 0.394 14.520 -1.364 1.00 0.00 C ATOM 606 C TYR A 38 0.899 15.959 -1.300 1.00 0.00 C ATOM 607 O TYR A 38 0.117 16.894 -1.131 1.00 0.00 O ATOM 608 CB TYR A 38 0.913 13.739 -0.154 1.00 0.00 C ATOM 609 CG TYR A 38 -0.244 13.093 0.573 1.00 0.00 C ATOM 610 CD1 TYR A 38 -1.311 13.877 1.025 1.00 0.00 C ATOM 611 CD2 TYR A 38 -0.247 11.711 0.793 1.00 0.00 C ATOM 612 CE1 TYR A 38 -2.382 13.279 1.699 1.00 0.00 C ATOM 613 CE2 TYR A 38 -1.318 11.112 1.467 1.00 0.00 C ATOM 614 CZ TYR A 38 -2.386 11.896 1.920 1.00 0.00 C ATOM 615 OH TYR A 38 -3.443 11.307 2.584 1.00 0.00 O ATOM 0 H TYR A 38 1.227 12.940 -2.469 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.696 14.532 -1.351 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.622 12.977 -0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.450 14.408 0.519 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.308 14.943 0.854 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.577 11.107 0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.205 13.884 2.049 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.320 10.046 1.637 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.289 10.342 2.652 1.00 0.00 H new ATOM 625 N LEU A 39 2.211 16.127 -1.432 1.00 0.00 N ATOM 626 CA LEU A 39 2.811 17.456 -1.381 1.00 0.00 C ATOM 627 C LEU A 39 1.999 18.450 -2.209 1.00 0.00 C ATOM 628 O LEU A 39 1.871 19.616 -1.839 1.00 0.00 O ATOM 629 CB LEU A 39 4.247 17.398 -1.909 1.00 0.00 C ATOM 630 CG LEU A 39 5.222 17.767 -0.788 1.00 0.00 C ATOM 631 CD1 LEU A 39 6.655 17.489 -1.246 1.00 0.00 C ATOM 632 CD2 LEU A 39 5.073 19.253 -0.454 1.00 0.00 C ATOM 0 H LEU A 39 2.875 15.366 -1.574 1.00 0.00 H new ATOM 0 HA LEU A 39 2.817 17.791 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.468 16.398 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.365 18.084 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 39 5.002 17.170 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.349 17.752 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.761 16.431 -1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.876 18.086 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.766 19.518 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.294 19.849 -1.339 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.052 19.452 -0.128 1.00 0.00 H new