USER MOD reduce.3.24.130724 H: found=0, std=0, add=297, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 298 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= 0.203 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N LEU A 3 13.402 19.180 10.653 1.00 0.00 N ATOM 37 CA LEU A 3 14.525 20.110 10.788 1.00 0.00 C ATOM 38 C LEU A 3 15.763 19.634 10.009 1.00 0.00 C ATOM 39 O LEU A 3 15.940 20.019 8.856 1.00 0.00 O ATOM 40 CB LEU A 3 14.828 20.329 12.279 1.00 0.00 C ATOM 41 CG LEU A 3 15.914 21.396 12.431 1.00 0.00 C ATOM 42 CD1 LEU A 3 15.338 22.767 12.070 1.00 0.00 C ATOM 43 CD2 LEU A 3 16.407 21.416 13.879 1.00 0.00 C ATOM 0 HA LEU A 3 14.245 21.066 10.345 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.924 20.639 12.802 1.00 0.00 H new ATOM 0 HB3 LEU A 3 15.156 19.395 12.735 1.00 0.00 H new ATOM 0 HG LEU A 3 16.746 21.166 11.765 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.112 23.527 12.178 1.00 0.00 H new ATOM 0 HD12 LEU A 3 14.985 22.753 11.039 1.00 0.00 H new ATOM 0 HD13 LEU A 3 14.506 22.999 12.735 1.00 0.00 H new ATOM 0 HD21 LEU A 3 17.181 22.176 13.989 1.00 0.00 H new ATOM 0 HD22 LEU A 3 15.574 21.647 14.544 1.00 0.00 H new ATOM 0 HD23 LEU A 3 16.817 20.440 14.137 1.00 0.00 H new ATOM 55 N LEU A 4 16.653 18.866 10.639 1.00 0.00 N ATOM 56 CA LEU A 4 17.918 18.481 10.014 1.00 0.00 C ATOM 57 C LEU A 4 17.722 17.746 8.684 1.00 0.00 C ATOM 58 O LEU A 4 18.617 17.746 7.839 1.00 0.00 O ATOM 59 CB LEU A 4 18.738 17.597 10.964 1.00 0.00 C ATOM 60 CG LEU A 4 17.901 16.395 11.476 1.00 0.00 C ATOM 61 CD1 LEU A 4 18.738 15.108 11.441 1.00 0.00 C ATOM 62 CD2 LEU A 4 17.420 16.648 12.917 1.00 0.00 C ATOM 0 H LEU A 4 16.521 18.499 11.581 1.00 0.00 H new ATOM 0 HA LEU A 4 18.454 19.407 9.806 1.00 0.00 H new ATOM 0 HB2 LEU A 4 19.626 17.232 10.449 1.00 0.00 H new ATOM 0 HB3 LEU A 4 19.082 18.191 11.811 1.00 0.00 H new ATOM 0 HG LEU A 4 17.036 16.282 10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 4 18.137 14.273 11.803 1.00 0.00 H new ATOM 0 HD12 LEU A 4 19.057 14.909 10.418 1.00 0.00 H new ATOM 0 HD13 LEU A 4 19.615 15.227 12.077 1.00 0.00 H new ATOM 0 HD21 LEU A 4 16.835 15.795 13.260 1.00 0.00 H new ATOM 0 HD22 LEU A 4 18.282 16.783 13.570 1.00 0.00 H new ATOM 0 HD23 LEU A 4 16.802 17.546 12.942 1.00 0.00 H new ATOM 74 N GLU A 5 16.562 17.125 8.495 1.00 0.00 N ATOM 75 CA GLU A 5 16.325 16.308 7.300 1.00 0.00 C ATOM 76 C GLU A 5 15.808 17.114 6.101 1.00 0.00 C ATOM 77 O GLU A 5 15.754 16.590 4.988 1.00 0.00 O ATOM 78 CB GLU A 5 15.310 15.211 7.616 1.00 0.00 C ATOM 79 CG GLU A 5 15.863 14.289 8.709 1.00 0.00 C ATOM 80 CD GLU A 5 17.146 13.588 8.255 1.00 0.00 C ATOM 81 OE1 GLU A 5 17.402 13.535 7.060 1.00 0.00 O ATOM 82 OE2 GLU A 5 17.862 13.110 9.119 1.00 0.00 O ATOM 0 H GLU A 5 15.776 17.168 9.144 1.00 0.00 H new ATOM 0 HA GLU A 5 17.292 15.889 7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.371 15.656 7.944 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.093 14.634 6.717 1.00 0.00 H new ATOM 0 HG2 GLU A 5 16.063 14.870 9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.113 13.543 8.971 1.00 0.00 H new ATOM 89 N GLY A 6 15.429 18.372 6.311 1.00 0.00 N ATOM 90 CA GLY A 6 14.879 19.188 5.231 1.00 0.00 C ATOM 91 C GLY A 6 15.926 20.051 4.513 1.00 0.00 C ATOM 92 O GLY A 6 15.561 20.860 3.659 1.00 0.00 O ATOM 0 H GLY A 6 15.492 18.846 7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 6 14.399 18.535 4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.103 19.837 5.637 1.00 0.00 H new ATOM 96 N GLU A 7 17.211 19.894 4.841 1.00 0.00 N ATOM 97 CA GLU A 7 18.258 20.637 4.147 1.00 0.00 C ATOM 98 C GLU A 7 18.693 19.867 2.903 1.00 0.00 C ATOM 99 O GLU A 7 18.626 18.637 2.878 1.00 0.00 O ATOM 100 CB GLU A 7 19.452 20.878 5.082 1.00 0.00 C ATOM 101 CG GLU A 7 20.085 19.548 5.506 1.00 0.00 C ATOM 102 CD GLU A 7 21.189 19.799 6.528 1.00 0.00 C ATOM 103 OE1 GLU A 7 20.924 20.483 7.502 1.00 0.00 O ATOM 104 OE2 GLU A 7 22.285 19.303 6.321 1.00 0.00 O ATOM 0 H GLU A 7 17.545 19.267 5.573 1.00 0.00 H new ATOM 0 HA GLU A 7 17.867 21.608 3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.195 21.496 4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.124 21.428 5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 7 19.325 18.894 5.933 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.494 19.036 4.635 1.00 0.00 H new ATOM 111 N ILE A 8 19.137 20.588 1.877 1.00 0.00 N ATOM 112 CA ILE A 8 19.460 19.946 0.607 1.00 0.00 C ATOM 113 C ILE A 8 20.842 19.280 0.664 1.00 0.00 C ATOM 114 O ILE A 8 21.748 19.820 1.300 1.00 0.00 O ATOM 115 CB ILE A 8 19.434 20.977 -0.526 1.00 0.00 C ATOM 116 CG1 ILE A 8 20.424 22.106 -0.226 1.00 0.00 C ATOM 117 CG2 ILE A 8 18.025 21.558 -0.653 1.00 0.00 C ATOM 118 CD1 ILE A 8 20.539 23.021 -1.447 1.00 0.00 C ATOM 0 H ILE A 8 19.279 21.598 1.898 1.00 0.00 H new ATOM 0 HA ILE A 8 18.711 19.177 0.417 1.00 0.00 H new ATOM 0 HB ILE A 8 19.716 20.490 -1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 8 20.089 22.677 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 8 21.400 21.691 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 8 18.005 22.292 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 8 17.320 20.757 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 8 17.744 22.040 0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 8 21.244 23.825 -1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 8 20.893 22.445 -2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 8 19.562 23.446 -1.676 1.00 0.00 H new ATOM 130 N PRO A 9 21.034 18.127 0.052 1.00 0.00 N ATOM 131 CA PRO A 9 22.383 17.480 0.002 1.00 0.00 C ATOM 132 C PRO A 9 23.381 18.286 -0.826 1.00 0.00 C ATOM 133 O PRO A 9 22.998 18.971 -1.774 1.00 0.00 O ATOM 134 CB PRO A 9 22.134 16.107 -0.628 1.00 0.00 C ATOM 135 CG PRO A 9 20.880 16.258 -1.413 1.00 0.00 C ATOM 136 CD PRO A 9 20.047 17.312 -0.688 1.00 0.00 C ATOM 0 HA PRO A 9 22.826 17.412 0.996 1.00 0.00 H new ATOM 0 HB2 PRO A 9 22.965 15.811 -1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.030 15.337 0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 9 21.096 16.568 -2.435 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.343 15.312 -1.474 1.00 0.00 H new ATOM 0 HD2 PRO A 9 19.479 17.921 -1.392 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.327 16.851 -0.012 1.00 0.00 H new ATOM 144 N PHE A 10 24.661 18.202 -0.467 1.00 0.00 N ATOM 145 CA PHE A 10 25.720 18.801 -1.280 1.00 0.00 C ATOM 146 C PHE A 10 25.645 18.258 -2.711 1.00 0.00 C ATOM 147 O PHE A 10 25.261 17.102 -2.896 1.00 0.00 O ATOM 148 CB PHE A 10 27.089 18.480 -0.677 1.00 0.00 C ATOM 149 CG PHE A 10 27.279 19.046 0.710 1.00 0.00 C ATOM 150 CD1 PHE A 10 27.720 20.365 0.874 1.00 0.00 C ATOM 151 CD2 PHE A 10 27.012 18.253 1.833 1.00 0.00 C ATOM 152 CE1 PHE A 10 27.895 20.890 2.160 1.00 0.00 C ATOM 153 CE2 PHE A 10 27.186 18.779 3.119 1.00 0.00 C ATOM 154 CZ PHE A 10 27.628 20.097 3.283 1.00 0.00 C ATOM 0 H PHE A 10 24.989 17.729 0.375 1.00 0.00 H new ATOM 0 HA PHE A 10 25.584 19.882 -1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 10 27.218 17.398 -0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 10 27.867 18.872 -1.332 1.00 0.00 H new ATOM 0 HD1 PHE A 10 27.925 20.977 0.008 1.00 0.00 H new ATOM 0 HD2 PHE A 10 26.672 17.236 1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 10 28.236 21.907 2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 10 26.979 18.167 3.985 1.00 0.00 H new ATOM 0 HZ PHE A 10 27.763 20.502 4.275 1.00 0.00 H new ATOM 164 N PRO A 11 25.977 19.043 -3.715 1.00 0.00 N ATOM 165 CA PRO A 11 25.674 18.646 -5.125 1.00 0.00 C ATOM 166 C PRO A 11 26.222 17.271 -5.535 1.00 0.00 C ATOM 167 O PRO A 11 25.586 16.603 -6.354 1.00 0.00 O ATOM 168 CB PRO A 11 26.272 19.768 -5.991 1.00 0.00 C ATOM 169 CG PRO A 11 27.053 20.664 -5.086 1.00 0.00 C ATOM 170 CD PRO A 11 26.639 20.358 -3.648 1.00 0.00 C ATOM 0 HA PRO A 11 24.597 18.533 -5.253 1.00 0.00 H new ATOM 0 HB2 PRO A 11 26.914 19.352 -6.767 1.00 0.00 H new ATOM 0 HB3 PRO A 11 25.483 20.326 -6.495 1.00 0.00 H new ATOM 0 HG2 PRO A 11 28.123 20.500 -5.218 1.00 0.00 H new ATOM 0 HG3 PRO A 11 26.859 21.710 -5.324 1.00 0.00 H new ATOM 0 HD2 PRO A 11 27.504 20.331 -2.985 1.00 0.00 H new ATOM 0 HD3 PRO A 11 25.964 21.121 -3.261 1.00 0.00 H new ATOM 178 N PRO A 12 27.352 16.820 -5.031 1.00 0.00 N ATOM 179 CA PRO A 12 27.725 15.375 -5.152 1.00 0.00 C ATOM 180 C PRO A 12 26.686 14.484 -4.478 1.00 0.00 C ATOM 181 O PRO A 12 26.183 14.828 -3.408 1.00 0.00 O ATOM 182 CB PRO A 12 29.082 15.264 -4.448 1.00 0.00 C ATOM 183 CG PRO A 12 29.637 16.647 -4.426 1.00 0.00 C ATOM 184 CD PRO A 12 28.442 17.598 -4.414 1.00 0.00 C ATOM 0 HA PRO A 12 27.772 15.048 -6.191 1.00 0.00 H new ATOM 0 HB2 PRO A 12 28.968 14.871 -3.438 1.00 0.00 H new ATOM 0 HB3 PRO A 12 29.746 14.584 -4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 12 30.262 16.799 -3.546 1.00 0.00 H new ATOM 0 HG3 PRO A 12 30.266 16.826 -5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 12 28.187 17.904 -3.399 1.00 0.00 H new ATOM 0 HD3 PRO A 12 28.651 18.507 -4.978 1.00 0.00 H new ATOM 192 N THR A 13 26.370 13.334 -5.076 1.00 0.00 N ATOM 193 CA THR A 13 25.453 12.385 -4.441 1.00 0.00 C ATOM 194 C THR A 13 26.075 10.980 -4.360 1.00 0.00 C ATOM 195 O THR A 13 26.838 10.696 -3.428 1.00 0.00 O ATOM 196 CB THR A 13 24.112 12.401 -5.192 1.00 0.00 C ATOM 197 OG1 THR A 13 24.347 12.203 -6.579 1.00 0.00 O ATOM 198 CG2 THR A 13 23.421 13.748 -4.977 1.00 0.00 C ATOM 0 H THR A 13 26.729 13.040 -5.984 1.00 0.00 H new ATOM 0 HA THR A 13 25.266 12.687 -3.410 1.00 0.00 H new ATOM 0 HB THR A 13 23.473 11.603 -4.813 1.00 0.00 H new ATOM 0 HG1 THR A 13 23.493 12.211 -7.060 1.00 0.00 H new ATOM 0 HG21 THR A 13 22.470 13.758 -5.510 1.00 0.00 H new ATOM 0 HG22 THR A 13 23.242 13.899 -3.912 1.00 0.00 H new ATOM 0 HG23 THR A 13 24.058 14.548 -5.355 1.00 0.00 H new ATOM 206 N SER A 14 25.787 10.101 -5.328 1.00 0.00 N ATOM 207 CA SER A 14 26.332 8.750 -5.289 1.00 0.00 C ATOM 208 C SER A 14 27.857 8.776 -5.289 1.00 0.00 C ATOM 209 O SER A 14 28.496 7.956 -4.625 1.00 0.00 O ATOM 210 CB SER A 14 25.836 7.955 -6.497 1.00 0.00 C ATOM 211 OG SER A 14 24.416 7.993 -6.528 1.00 0.00 O ATOM 0 H SER A 14 25.191 10.301 -6.131 1.00 0.00 H new ATOM 0 HA SER A 14 25.993 8.273 -4.370 1.00 0.00 H new ATOM 0 HB2 SER A 14 26.243 8.375 -7.417 1.00 0.00 H new ATOM 0 HB3 SER A 14 26.183 6.924 -6.437 1.00 0.00 H new ATOM 0 HG SER A 14 24.092 7.486 -7.302 1.00 0.00 H new ATOM 217 N ILE A 15 28.444 9.732 -6.013 1.00 0.00 N ATOM 218 CA ILE A 15 29.898 9.829 -6.055 1.00 0.00 C ATOM 219 C ILE A 15 30.464 10.046 -4.651 1.00 0.00 C ATOM 220 O ILE A 15 31.530 9.521 -4.323 1.00 0.00 O ATOM 221 CB ILE A 15 30.321 10.983 -6.975 1.00 0.00 C ATOM 222 CG1 ILE A 15 29.741 10.764 -8.376 1.00 0.00 C ATOM 223 CG2 ILE A 15 31.850 11.043 -7.080 1.00 0.00 C ATOM 224 CD1 ILE A 15 30.002 12.002 -9.237 1.00 0.00 C ATOM 0 H ILE A 15 27.947 10.432 -6.564 1.00 0.00 H new ATOM 0 HA ILE A 15 30.296 8.894 -6.448 1.00 0.00 H new ATOM 0 HB ILE A 15 29.947 11.917 -6.556 1.00 0.00 H new ATOM 0 HG12 ILE A 15 30.195 9.886 -8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 15 28.670 10.572 -8.312 1.00 0.00 H new ATOM 0 HG21 ILE A 15 32.138 11.865 -7.735 1.00 0.00 H new ATOM 0 HG22 ILE A 15 32.277 11.202 -6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 15 32.224 10.105 -7.490 1.00 0.00 H new ATOM 0 HD11 ILE A 15 29.589 11.846 -10.234 1.00 0.00 H new ATOM 0 HD12 ILE A 15 29.527 12.870 -8.780 1.00 0.00 H new ATOM 0 HD13 ILE A 15 31.076 12.173 -9.312 1.00 0.00 H new ATOM 236 N LEU A 16 29.740 10.792 -3.810 1.00 0.00 N ATOM 237 CA LEU A 16 30.191 10.984 -2.435 1.00 0.00 C ATOM 238 C LEU A 16 30.273 9.648 -1.701 1.00 0.00 C ATOM 239 O LEU A 16 31.217 9.399 -0.944 1.00 0.00 O ATOM 240 CB LEU A 16 29.221 11.914 -1.700 1.00 0.00 C ATOM 241 CG LEU A 16 29.786 12.274 -0.323 1.00 0.00 C ATOM 242 CD1 LEU A 16 30.834 13.380 -0.472 1.00 0.00 C ATOM 243 CD2 LEU A 16 28.650 12.765 0.577 1.00 0.00 C ATOM 0 H LEU A 16 28.865 11.259 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 16 31.185 11.431 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 16 29.059 12.820 -2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 16 28.251 11.428 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 16 30.251 11.394 0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 16 31.235 13.635 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 16 31.642 13.031 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 16 30.372 14.262 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 16 29.049 13.022 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.187 13.645 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 16 27.904 11.978 0.683 1.00 0.00 H new ATOM 255 N LEU A 17 29.311 8.764 -1.972 1.00 0.00 N ATOM 256 CA LEU A 17 29.355 7.432 -1.379 1.00 0.00 C ATOM 257 C LEU A 17 30.616 6.684 -1.806 1.00 0.00 C ATOM 258 O LEU A 17 31.231 5.971 -1.007 1.00 0.00 O ATOM 259 CB LEU A 17 28.119 6.637 -1.805 1.00 0.00 C ATOM 260 CG LEU A 17 28.083 5.297 -1.065 1.00 0.00 C ATOM 261 CD1 LEU A 17 27.746 5.536 0.408 1.00 0.00 C ATOM 262 CD2 LEU A 17 27.015 4.399 -1.691 1.00 0.00 C ATOM 0 H LEU A 17 28.513 8.941 -2.582 1.00 0.00 H new ATOM 0 HA LEU A 17 29.369 7.540 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 17 27.216 7.207 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.138 6.468 -2.882 1.00 0.00 H new ATOM 0 HG LEU A 17 29.057 4.814 -1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 17 27.720 4.582 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.505 6.177 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 17 26.772 6.019 0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 17 26.988 3.445 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 17 26.042 4.883 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 17 27.253 4.228 -2.741 1.00 0.00 H new ATOM 274 N LEU A 18 31.023 6.880 -3.061 1.00 0.00 N ATOM 275 CA LEU A 18 32.248 6.252 -3.541 1.00 0.00 C ATOM 276 C LEU A 18 33.457 6.719 -2.739 1.00 0.00 C ATOM 277 O LEU A 18 34.356 5.932 -2.449 1.00 0.00 O ATOM 278 CB LEU A 18 32.463 6.580 -5.021 1.00 0.00 C ATOM 279 CG LEU A 18 31.254 6.120 -5.838 1.00 0.00 C ATOM 280 CD1 LEU A 18 31.424 6.562 -7.292 1.00 0.00 C ATOM 281 CD2 LEU A 18 31.152 4.593 -5.785 1.00 0.00 C ATOM 0 H LEU A 18 30.534 7.455 -3.747 1.00 0.00 H new ATOM 0 HA LEU A 18 32.142 5.174 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 18 32.611 7.653 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 18 33.366 6.089 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 18 30.348 6.562 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 18 30.563 6.235 -7.875 1.00 0.00 H new ATOM 0 HD12 LEU A 18 31.500 7.648 -7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.331 6.118 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 18 30.291 4.265 -6.367 1.00 0.00 H new ATOM 0 HD22 LEU A 18 32.059 4.153 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 18 31.034 4.272 -4.750 1.00 0.00 H new ATOM 293 N LEU A 19 33.456 7.994 -2.346 1.00 0.00 N ATOM 294 CA LEU A 19 34.550 8.516 -1.532 1.00 0.00 C ATOM 295 C LEU A 19 34.663 7.776 -0.203 1.00 0.00 C ATOM 296 O LEU A 19 35.766 7.538 0.292 1.00 0.00 O ATOM 297 CB LEU A 19 34.337 10.009 -1.265 1.00 0.00 C ATOM 298 CG LEU A 19 34.224 10.770 -2.589 1.00 0.00 C ATOM 299 CD1 LEU A 19 33.918 12.242 -2.303 1.00 0.00 C ATOM 300 CD2 LEU A 19 35.543 10.673 -3.362 1.00 0.00 C ATOM 0 H LEU A 19 32.726 8.670 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 19 35.476 8.366 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.433 10.155 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.167 10.404 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 19 33.423 10.332 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.837 12.786 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 19 32.978 12.319 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.721 12.671 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 19 35.454 11.217 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.346 11.107 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.768 9.627 -3.568 1.00 0.00 H new ATOM 312 N ALA A 20 33.520 7.363 0.347 1.00 0.00 N ATOM 313 CA ALA A 20 33.533 6.617 1.599 1.00 0.00 C ATOM 314 C ALA A 20 34.264 5.292 1.425 1.00 0.00 C ATOM 315 O ALA A 20 35.097 4.906 2.253 1.00 0.00 O ATOM 316 CB ALA A 20 32.100 6.354 2.065 1.00 0.00 C ATOM 0 H ALA A 20 32.594 7.529 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 20 34.055 7.211 2.349 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.118 5.796 3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 20 31.587 7.304 2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.572 5.775 1.308 1.00 0.00 H new ATOM 322 N CYS A 21 33.984 4.620 0.311 1.00 0.00 N ATOM 323 CA CYS A 21 34.636 3.343 0.044 1.00 0.00 C ATOM 324 C CYS A 21 36.146 3.522 -0.061 1.00 0.00 C ATOM 325 O CYS A 21 36.918 2.717 0.466 1.00 0.00 O ATOM 326 CB CYS A 21 34.098 2.741 -1.255 1.00 0.00 C ATOM 327 SG CYS A 21 32.327 2.415 -1.079 1.00 0.00 S ATOM 0 H CYS A 21 33.327 4.929 -0.405 1.00 0.00 H new ATOM 0 HA CYS A 21 34.420 2.668 0.872 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.272 3.425 -2.085 1.00 0.00 H new ATOM 0 HB3 CYS A 21 34.628 1.817 -1.487 1.00 0.00 H new ATOM 0 HG CYS A 21 31.868 1.905 -2.183 1.00 0.00 H new ATOM 333 N ILE A 22 36.565 4.596 -0.727 1.00 0.00 N ATOM 334 CA ILE A 22 37.993 4.868 -0.857 1.00 0.00 C ATOM 335 C ILE A 22 38.642 5.050 0.514 1.00 0.00 C ATOM 336 O ILE A 22 39.791 4.653 0.711 1.00 0.00 O ATOM 337 CB ILE A 22 38.210 6.117 -1.723 1.00 0.00 C ATOM 338 CG1 ILE A 22 37.586 5.891 -3.102 1.00 0.00 C ATOM 339 CG2 ILE A 22 39.707 6.390 -1.906 1.00 0.00 C ATOM 340 CD1 ILE A 22 37.615 7.197 -3.900 1.00 0.00 C ATOM 0 H ILE A 22 35.952 5.277 -1.175 1.00 0.00 H new ATOM 0 HA ILE A 22 38.465 4.013 -1.341 1.00 0.00 H new ATOM 0 HB ILE A 22 37.745 6.969 -1.227 1.00 0.00 H new ATOM 0 HG12 ILE A 22 38.133 5.114 -3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 22 36.559 5.542 -2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 22 39.842 7.279 -2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 22 40.169 6.550 -0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 22 40.176 5.535 -2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 22 37.170 7.034 -4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 22 37.049 7.961 -3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 22 38.647 7.527 -4.020 1.00 0.00 H new ATOM 352 N PHE A 23 37.907 5.628 1.467 1.00 0.00 N ATOM 353 CA PHE A 23 38.463 5.808 2.805 1.00 0.00 C ATOM 354 C PHE A 23 38.837 4.466 3.426 1.00 0.00 C ATOM 355 O PHE A 23 39.877 4.337 4.080 1.00 0.00 O ATOM 356 CB PHE A 23 37.446 6.519 3.700 1.00 0.00 C ATOM 357 CG PHE A 23 37.991 6.883 5.061 1.00 0.00 C ATOM 358 CD1 PHE A 23 37.877 5.981 6.125 1.00 0.00 C ATOM 359 CD2 PHE A 23 38.611 8.123 5.257 1.00 0.00 C ATOM 360 CE1 PHE A 23 38.383 6.319 7.386 1.00 0.00 C ATOM 361 CE2 PHE A 23 39.116 8.461 6.517 1.00 0.00 C ATOM 362 CZ PHE A 23 39.002 7.559 7.583 1.00 0.00 C ATOM 0 H PHE A 23 36.954 5.970 1.342 1.00 0.00 H new ATOM 0 HA PHE A 23 39.365 6.415 2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 23 37.105 7.425 3.200 1.00 0.00 H new ATOM 0 HB3 PHE A 23 36.574 5.877 3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 23 37.399 5.025 5.973 1.00 0.00 H new ATOM 0 HD2 PHE A 23 38.699 8.818 4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 23 38.296 5.623 8.207 1.00 0.00 H new ATOM 0 HE2 PHE A 23 39.594 9.418 6.668 1.00 0.00 H new ATOM 0 HZ PHE A 23 39.391 7.820 8.556 1.00 0.00 H new ATOM 372 N LEU A 24 38.009 3.449 3.174 1.00 0.00 N ATOM 373 CA LEU A 24 38.348 2.103 3.628 1.00 0.00 C ATOM 374 C LEU A 24 39.642 1.617 2.985 1.00 0.00 C ATOM 375 O LEU A 24 40.460 0.949 3.625 1.00 0.00 O ATOM 376 CB LEU A 24 37.213 1.131 3.297 1.00 0.00 C ATOM 377 CG LEU A 24 36.050 1.343 4.270 1.00 0.00 C ATOM 378 CD1 LEU A 24 35.261 2.591 3.871 1.00 0.00 C ATOM 379 CD2 LEU A 24 35.125 0.124 4.226 1.00 0.00 C ATOM 0 H LEU A 24 37.124 3.529 2.673 1.00 0.00 H new ATOM 0 HA LEU A 24 38.490 2.140 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 24 36.875 1.287 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 24 37.571 0.104 3.362 1.00 0.00 H new ATOM 0 HG LEU A 24 36.443 1.472 5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 24 34.435 2.737 4.567 1.00 0.00 H new ATOM 0 HD12 LEU A 24 35.917 3.461 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 24 34.868 2.466 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 24 34.296 0.271 4.918 1.00 0.00 H new ATOM 0 HD22 LEU A 24 34.737 -0.002 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 24 35.683 -0.767 4.514 1.00 0.00 H new ATOM 391 N ILE A 25 39.840 1.967 1.714 1.00 0.00 N ATOM 392 CA ILE A 25 41.108 1.653 1.062 1.00 0.00 C ATOM 393 C ILE A 25 42.272 2.352 1.763 1.00 0.00 C ATOM 394 O ILE A 25 43.364 1.794 1.865 1.00 0.00 O ATOM 395 CB ILE A 25 41.078 2.064 -0.417 1.00 0.00 C ATOM 396 CG1 ILE A 25 39.849 1.471 -1.128 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.350 1.569 -1.110 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.833 -0.059 -1.030 1.00 0.00 C ATOM 0 H ILE A 25 39.160 2.454 1.131 1.00 0.00 H new ATOM 0 HA ILE A 25 41.253 0.575 1.128 1.00 0.00 H new ATOM 0 HB ILE A 25 41.020 3.151 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 25 38.939 1.875 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.853 1.770 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.329 1.861 -2.160 1.00 0.00 H new ATOM 0 HG22 ILE A 25 43.222 2.011 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.406 0.483 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 25 38.952 -0.447 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 25 40.732 -0.463 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 25 39.804 -0.356 0.018 1.00 0.00 H new ATOM 410 N LYS A 26 42.034 3.570 2.256 1.00 0.00 N ATOM 411 CA LYS A 26 43.123 4.352 2.827 1.00 0.00 C ATOM 412 C LYS A 26 43.749 3.654 4.025 1.00 0.00 C ATOM 413 O LYS A 26 44.976 3.644 4.165 1.00 0.00 O ATOM 414 CB LYS A 26 42.599 5.727 3.252 1.00 0.00 C ATOM 415 CG LYS A 26 43.758 6.622 3.703 1.00 0.00 C ATOM 416 CD LYS A 26 44.544 7.106 2.481 1.00 0.00 C ATOM 417 CE LYS A 26 45.636 8.079 2.929 1.00 0.00 C ATOM 418 NZ LYS A 26 46.665 8.197 1.858 1.00 0.00 N ATOM 0 H LYS A 26 41.120 4.023 2.270 1.00 0.00 H new ATOM 0 HA LYS A 26 43.892 4.463 2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 26 42.071 6.195 2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 26 41.880 5.615 4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 26 43.374 7.476 4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 26 44.416 6.070 4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 26 44.989 6.257 1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 26 43.874 7.595 1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 26 45.203 9.056 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 26 46.095 7.727 3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 47.408 8.858 2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 47.086 7.263 1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 46.221 8.552 0.987 1.00 0.00 H new ATOM 432 N ILE A 27 42.913 3.038 4.868 1.00 0.00 N ATOM 433 CA ILE A 27 43.467 2.286 5.994 1.00 0.00 C ATOM 434 C ILE A 27 44.299 1.101 5.511 1.00 0.00 C ATOM 435 O ILE A 27 45.343 0.789 6.092 1.00 0.00 O ATOM 436 CB ILE A 27 42.391 1.844 6.994 1.00 0.00 C ATOM 437 CG1 ILE A 27 41.301 1.022 6.310 1.00 0.00 C ATOM 438 CG2 ILE A 27 41.754 3.083 7.625 1.00 0.00 C ATOM 439 CD1 ILE A 27 40.526 0.229 7.365 1.00 0.00 C ATOM 0 H ILE A 27 41.895 3.043 4.798 1.00 0.00 H new ATOM 0 HA ILE A 27 44.128 2.966 6.531 1.00 0.00 H new ATOM 0 HB ILE A 27 42.866 1.224 7.755 1.00 0.00 H new ATOM 0 HG12 ILE A 27 40.624 1.678 5.763 1.00 0.00 H new ATOM 0 HG13 ILE A 27 41.745 0.343 5.582 1.00 0.00 H new ATOM 0 HG21 ILE A 27 40.988 2.776 8.337 1.00 0.00 H new ATOM 0 HG22 ILE A 27 42.519 3.662 8.142 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.300 3.696 6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 27 39.747 -0.359 6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 27 41.208 -0.438 7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 27 40.070 0.918 8.076 1.00 0.00 H new ATOM 451 N LEU A 28 43.867 0.470 4.416 1.00 0.00 N ATOM 452 CA LEU A 28 44.677 -0.584 3.810 1.00 0.00 C ATOM 453 C LEU A 28 46.038 -0.055 3.357 1.00 0.00 C ATOM 454 O LEU A 28 47.037 -0.775 3.398 1.00 0.00 O ATOM 455 CB LEU A 28 43.944 -1.204 2.615 1.00 0.00 C ATOM 456 CG LEU A 28 42.570 -1.721 3.053 1.00 0.00 C ATOM 457 CD1 LEU A 28 41.814 -2.249 1.833 1.00 0.00 C ATOM 458 CD2 LEU A 28 42.743 -2.856 4.066 1.00 0.00 C ATOM 0 H LEU A 28 42.985 0.665 3.943 1.00 0.00 H new ATOM 0 HA LEU A 28 44.841 -1.347 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 28 43.827 -0.462 1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 28 44.534 -2.021 2.200 1.00 0.00 H new ATOM 0 HG LEU A 28 42.009 -0.907 3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 28 40.836 -2.617 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 28 41.686 -1.445 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 28 42.380 -3.061 1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 28 41.763 -3.221 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.305 -3.670 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 28 43.284 -2.487 4.937 1.00 0.00 H new ATOM 470 N ALA A 29 46.072 1.206 2.926 1.00 0.00 N ATOM 471 CA ALA A 29 47.322 1.827 2.507 1.00 0.00 C ATOM 472 C ALA A 29 48.307 1.928 3.664 1.00 0.00 C ATOM 473 O ALA A 29 49.505 1.708 3.490 1.00 0.00 O ATOM 474 CB ALA A 29 47.045 3.226 1.953 1.00 0.00 C ATOM 0 H ALA A 29 45.254 1.811 2.859 1.00 0.00 H new ATOM 0 HA ALA A 29 47.765 1.200 1.733 1.00 0.00 H new ATOM 0 HB1 ALA A 29 47.983 3.686 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 29 46.375 3.152 1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 29 46.580 3.838 2.726 1.00 0.00 H new ATOM 480 N ALA A 30 47.791 2.243 4.852 1.00 0.00 N ATOM 481 CA ALA A 30 48.655 2.336 6.024 1.00 0.00 C ATOM 482 C ALA A 30 49.334 0.998 6.292 1.00 0.00 C ATOM 483 O ALA A 30 50.528 0.943 6.600 1.00 0.00 O ATOM 484 CB ALA A 30 47.831 2.748 7.246 1.00 0.00 C ATOM 0 H ALA A 30 46.804 2.433 5.025 1.00 0.00 H new ATOM 0 HA ALA A 30 49.421 3.088 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 30 48.482 2.816 8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.368 3.718 7.063 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.055 2.005 7.429 1.00 0.00 H new ATOM 490 N SER A 31 48.582 -0.087 6.118 1.00 0.00 N ATOM 491 CA SER A 31 49.168 -1.418 6.241 1.00 0.00 C ATOM 492 C SER A 31 50.285 -1.618 5.219 1.00 0.00 C ATOM 493 O SER A 31 51.312 -2.234 5.517 1.00 0.00 O ATOM 494 CB SER A 31 48.091 -2.482 6.034 1.00 0.00 C ATOM 495 OG SER A 31 47.021 -2.246 6.939 1.00 0.00 O ATOM 0 H SER A 31 47.587 -0.073 5.896 1.00 0.00 H new ATOM 0 HA SER A 31 49.590 -1.513 7.241 1.00 0.00 H new ATOM 0 HB2 SER A 31 47.727 -2.453 5.007 1.00 0.00 H new ATOM 0 HB3 SER A 31 48.508 -3.476 6.197 1.00 0.00 H new ATOM 0 HG SER A 31 46.327 -2.925 6.809 1.00 0.00 H new ATOM 501 N ALA A 32 50.107 -1.056 4.022 1.00 0.00 N ATOM 502 CA ALA A 32 51.118 -1.202 2.981 1.00 0.00 C ATOM 503 C ALA A 32 52.434 -0.572 3.416 1.00 0.00 C ATOM 504 O ALA A 32 53.507 -1.143 3.205 1.00 0.00 O ATOM 505 CB ALA A 32 50.635 -0.541 1.689 1.00 0.00 C ATOM 0 H ALA A 32 49.290 -0.507 3.755 1.00 0.00 H new ATOM 0 HA ALA A 32 51.281 -2.266 2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.395 -0.654 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.711 -1.016 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 32 50.454 0.519 1.868 1.00 0.00 H new ATOM 511 N LEU A 33 52.351 0.600 4.048 1.00 0.00 N ATOM 512 CA LEU A 33 53.560 1.259 4.528 1.00 0.00 C ATOM 513 C LEU A 33 54.300 0.377 5.530 1.00 0.00 C ATOM 514 O LEU A 33 55.532 0.346 5.544 1.00 0.00 O ATOM 515 CB LEU A 33 53.196 2.592 5.189 1.00 0.00 C ATOM 516 CG LEU A 33 54.473 3.354 5.552 1.00 0.00 C ATOM 517 CD1 LEU A 33 55.140 3.870 4.276 1.00 0.00 C ATOM 518 CD2 LEU A 33 54.117 4.539 6.453 1.00 0.00 C ATOM 0 H LEU A 33 51.482 1.100 4.235 1.00 0.00 H new ATOM 0 HA LEU A 33 54.214 1.438 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 33 52.585 3.189 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 33 52.600 2.414 6.084 1.00 0.00 H new ATOM 0 HG LEU A 33 55.158 2.688 6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 33 56.049 4.413 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 33 55.391 3.028 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 33 54.456 4.537 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 33 55.025 5.084 6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 33 53.433 5.204 5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 33 53.639 4.174 7.362 1.00 0.00 H new ATOM 530 N TRP A 34 53.549 -0.366 6.348 1.00 0.00 N ATOM 531 CA TRP A 34 54.180 -1.328 7.249 1.00 0.00 C ATOM 532 C TRP A 34 54.982 -2.372 6.473 1.00 0.00 C ATOM 533 O TRP A 34 56.037 -2.821 6.923 1.00 0.00 O ATOM 534 CB TRP A 34 53.114 -2.028 8.094 1.00 0.00 C ATOM 535 CG TRP A 34 53.682 -2.875 9.186 1.00 0.00 C ATOM 536 CD1 TRP A 34 53.750 -4.226 9.166 1.00 0.00 C ATOM 537 CD2 TRP A 34 54.264 -2.455 10.456 1.00 0.00 C ATOM 538 NE1 TRP A 34 54.334 -4.663 10.341 1.00 0.00 N ATOM 539 CE2 TRP A 34 54.668 -3.610 11.169 1.00 0.00 C ATOM 540 CE3 TRP A 34 54.475 -1.200 11.052 1.00 0.00 C ATOM 541 CZ2 TRP A 34 55.262 -3.520 12.430 1.00 0.00 C ATOM 542 CZ3 TRP A 34 55.072 -1.105 12.319 1.00 0.00 C ATOM 543 CH2 TRP A 34 55.465 -2.262 13.007 1.00 0.00 C ATOM 0 H TRP A 34 52.532 -0.322 6.404 1.00 0.00 H new ATOM 0 HA TRP A 34 54.864 -0.781 7.897 1.00 0.00 H new ATOM 0 HB2 TRP A 34 52.457 -1.276 8.532 1.00 0.00 H new ATOM 0 HB3 TRP A 34 52.498 -2.650 7.445 1.00 0.00 H new ATOM 0 HD1 TRP A 34 53.404 -4.860 8.363 1.00 0.00 H new ATOM 0 HE1 TRP A 34 54.498 -5.644 10.568 1.00 0.00 H new ATOM 0 HE3 TRP A 34 54.176 -0.302 10.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 55.562 -4.415 12.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 55.230 -0.135 12.767 1.00 0.00 H new ATOM 0 HH2 TRP A 34 55.924 -2.182 13.981 1.00 0.00 H new ATOM 554 N ALA A 35 54.506 -2.720 5.276 1.00 0.00 N ATOM 555 CA ALA A 35 55.252 -3.627 4.410 1.00 0.00 C ATOM 556 C ALA A 35 56.589 -3.020 3.998 1.00 0.00 C ATOM 557 O ALA A 35 57.617 -3.701 3.969 1.00 0.00 O ATOM 558 CB ALA A 35 54.430 -3.945 3.161 1.00 0.00 C ATOM 0 H ALA A 35 53.620 -2.392 4.891 1.00 0.00 H new ATOM 0 HA ALA A 35 55.447 -4.543 4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 35 54.992 -4.623 2.518 1.00 0.00 H new ATOM 0 HB2 ALA A 35 53.492 -4.417 3.453 1.00 0.00 H new ATOM 0 HB3 ALA A 35 54.219 -3.023 2.620 1.00 0.00 H new ATOM 564 N ALA A 36 56.577 -1.718 3.721 1.00 0.00 N ATOM 565 CA ALA A 36 57.799 -1.042 3.305 1.00 0.00 C ATOM 566 C ALA A 36 58.865 -1.138 4.389 1.00 0.00 C ATOM 567 O ALA A 36 60.045 -1.320 4.093 1.00 0.00 O ATOM 568 CB ALA A 36 57.506 0.429 3.005 1.00 0.00 C ATOM 0 H ALA A 36 55.751 -1.122 3.776 1.00 0.00 H new ATOM 0 HA ALA A 36 58.171 -1.531 2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 36 58.425 0.927 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 36 56.768 0.497 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 36 57.116 0.912 3.901 1.00 0.00 H new ATOM 574 N ALA A 37 58.445 -1.019 5.646 1.00 0.00 N ATOM 575 CA ALA A 37 59.372 -1.178 6.762 1.00 0.00 C ATOM 576 C ALA A 37 59.947 -2.591 6.824 1.00 0.00 C ATOM 577 O ALA A 37 61.127 -2.770 7.146 1.00 0.00 O ATOM 578 CB ALA A 37 58.658 -0.861 8.078 1.00 0.00 C ATOM 0 H ALA A 37 57.482 -0.816 5.915 1.00 0.00 H new ATOM 0 HA ALA A 37 60.198 -0.484 6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 37 59.354 -0.981 8.908 1.00 0.00 H new ATOM 0 HB2 ALA A 37 58.294 0.166 8.056 1.00 0.00 H new ATOM 0 HB3 ALA A 37 57.817 -1.542 8.209 1.00 0.00 H new ATOM 584 N TRP A 38 59.095 -3.578 6.534 1.00 0.00 N ATOM 585 CA TRP A 38 59.514 -4.979 6.526 1.00 0.00 C ATOM 586 C TRP A 38 60.661 -5.239 5.551 1.00 0.00 C ATOM 587 O TRP A 38 61.461 -6.149 5.767 1.00 0.00 O ATOM 588 CB TRP A 38 58.328 -5.875 6.163 1.00 0.00 C ATOM 589 CG TRP A 38 58.640 -7.335 6.242 1.00 0.00 C ATOM 590 CD1 TRP A 38 58.830 -8.147 5.177 1.00 0.00 C ATOM 591 CD2 TRP A 38 58.801 -8.170 7.427 1.00 0.00 C ATOM 592 NE1 TRP A 38 59.096 -9.426 5.630 1.00 0.00 N ATOM 593 CE2 TRP A 38 59.091 -9.492 7.009 1.00 0.00 C ATOM 594 CE3 TRP A 38 58.727 -7.912 8.807 1.00 0.00 C ATOM 595 CZ2 TRP A 38 59.297 -10.522 7.930 1.00 0.00 C ATOM 596 CZ3 TRP A 38 58.935 -8.944 9.735 1.00 0.00 C ATOM 597 CH2 TRP A 38 59.219 -10.246 9.299 1.00 0.00 C ATOM 0 H TRP A 38 58.113 -3.431 6.302 1.00 0.00 H new ATOM 0 HA TRP A 38 59.872 -5.212 7.529 1.00 0.00 H new ATOM 0 HB2 TRP A 38 57.496 -5.652 6.831 1.00 0.00 H new ATOM 0 HB3 TRP A 38 57.998 -5.636 5.152 1.00 0.00 H new ATOM 0 HD1 TRP A 38 58.782 -7.845 4.141 1.00 0.00 H new ATOM 0 HE1 TRP A 38 59.274 -10.224 5.020 1.00 0.00 H new ATOM 0 HE3 TRP A 38 58.509 -6.913 9.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 59.515 -11.523 7.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 58.876 -8.734 10.793 1.00 0.00 H new ATOM 0 HH2 TRP A 38 59.377 -11.035 10.019 1.00 0.00 H new