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 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 21.782 27.162 10.653 1.00 0.00 N ATOM 37 CA LEU A 3 21.684 27.112 9.195 1.00 0.00 C ATOM 38 C LEU A 3 22.494 25.957 8.595 1.00 0.00 C ATOM 39 O LEU A 3 22.195 25.503 7.490 1.00 0.00 O ATOM 40 CB LEU A 3 22.174 28.432 8.595 1.00 0.00 C ATOM 41 CG LEU A 3 21.361 29.601 9.162 1.00 0.00 C ATOM 42 CD1 LEU A 3 21.930 30.919 8.632 1.00 0.00 C ATOM 43 CD2 LEU A 3 19.900 29.475 8.723 1.00 0.00 C ATOM 0 HA LEU A 3 20.635 26.948 8.950 1.00 0.00 H new ATOM 0 HB2 LEU A 3 23.232 28.572 8.819 1.00 0.00 H new ATOM 0 HB3 LEU A 3 22.079 28.405 7.510 1.00 0.00 H new ATOM 0 HG LEU A 3 21.418 29.583 10.250 1.00 0.00 H new ATOM 0 HD11 LEU A 3 21.353 31.752 9.034 1.00 0.00 H new ATOM 0 HD12 LEU A 3 22.971 31.016 8.940 1.00 0.00 H new ATOM 0 HD13 LEU A 3 21.872 30.929 7.544 1.00 0.00 H new ATOM 0 HD21 LEU A 3 19.325 30.308 9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 3 19.844 29.491 7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 3 19.488 28.536 9.093 1.00 0.00 H new ATOM 55 N LEU A 4 23.533 25.504 9.296 1.00 0.00 N ATOM 56 CA LEU A 4 24.371 24.417 8.787 1.00 0.00 C ATOM 57 C LEU A 4 23.557 23.153 8.495 1.00 0.00 C ATOM 58 O LEU A 4 23.908 22.376 7.607 1.00 0.00 O ATOM 59 CB LEU A 4 25.471 24.109 9.811 1.00 0.00 C ATOM 60 CG LEU A 4 26.499 23.120 9.223 1.00 0.00 C ATOM 61 CD1 LEU A 4 27.905 23.454 9.733 1.00 0.00 C ATOM 62 CD2 LEU A 4 26.164 21.684 9.647 1.00 0.00 C ATOM 0 H LEU A 4 23.813 25.867 10.207 1.00 0.00 H new ATOM 0 HA LEU A 4 24.813 24.741 7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 4 25.972 25.032 10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 4 25.028 23.688 10.713 1.00 0.00 H new ATOM 0 HG LEU A 4 26.463 23.204 8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 4 28.622 22.749 9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 4 28.171 24.467 9.430 1.00 0.00 H new ATOM 0 HD13 LEU A 4 27.924 23.384 10.821 1.00 0.00 H new ATOM 0 HD21 LEU A 4 26.899 20.999 9.224 1.00 0.00 H new ATOM 0 HD22 LEU A 4 26.184 21.612 10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 4 25.171 21.420 9.284 1.00 0.00 H new ATOM 74 N GLU A 5 22.451 22.967 9.214 1.00 0.00 N ATOM 75 CA GLU A 5 21.596 21.795 9.017 1.00 0.00 C ATOM 76 C GLU A 5 20.550 22.011 7.912 1.00 0.00 C ATOM 77 O GLU A 5 20.021 21.046 7.360 1.00 0.00 O ATOM 78 CB GLU A 5 20.897 21.471 10.341 1.00 0.00 C ATOM 79 CG GLU A 5 20.180 20.118 10.256 1.00 0.00 C ATOM 80 CD GLU A 5 21.186 18.972 10.154 1.00 0.00 C ATOM 81 OE1 GLU A 5 22.307 19.133 10.612 1.00 0.00 O ATOM 82 OE2 GLU A 5 20.816 17.940 9.617 1.00 0.00 O ATOM 0 H GLU A 5 22.126 23.610 9.936 1.00 0.00 H new ATOM 0 HA GLU A 5 22.226 20.964 8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 5 21.628 21.451 11.149 1.00 0.00 H new ATOM 0 HB3 GLU A 5 20.179 22.255 10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 5 19.552 19.979 11.136 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.520 20.106 9.389 1.00 0.00 H new ATOM 89 N GLY A 6 20.287 23.265 7.545 1.00 0.00 N ATOM 90 CA GLY A 6 19.282 23.567 6.527 1.00 0.00 C ATOM 91 C GLY A 6 19.862 23.712 5.114 1.00 0.00 C ATOM 92 O GLY A 6 19.138 24.102 4.197 1.00 0.00 O ATOM 0 H GLY A 6 20.753 24.084 7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 6 18.532 22.776 6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 6 18.770 24.491 6.797 1.00 0.00 H new ATOM 96 N GLU A 7 21.148 23.407 4.925 1.00 0.00 N ATOM 97 CA GLU A 7 21.766 23.540 3.609 1.00 0.00 C ATOM 98 C GLU A 7 21.558 22.260 2.806 1.00 0.00 C ATOM 99 O GLU A 7 21.496 21.168 3.369 1.00 0.00 O ATOM 100 CB GLU A 7 23.263 23.819 3.768 1.00 0.00 C ATOM 101 CG GLU A 7 23.879 24.162 2.405 1.00 0.00 C ATOM 102 CD GLU A 7 25.395 24.375 2.499 1.00 0.00 C ATOM 103 OE1 GLU A 7 25.955 24.230 3.577 1.00 0.00 O ATOM 104 OE2 GLU A 7 25.981 24.686 1.476 1.00 0.00 O ATOM 0 H GLU A 7 21.773 23.071 5.658 1.00 0.00 H new ATOM 0 HA GLU A 7 21.302 24.371 3.077 1.00 0.00 H new ATOM 0 HB2 GLU A 7 23.416 24.644 4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 7 23.761 22.947 4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 7 23.669 23.359 1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 7 23.410 25.063 2.011 1.00 0.00 H new ATOM 111 N ILE A 8 21.453 22.400 1.489 1.00 0.00 N ATOM 112 CA ILE A 8 21.165 21.256 0.633 1.00 0.00 C ATOM 113 C ILE A 8 22.437 20.430 0.391 1.00 0.00 C ATOM 114 O ILE A 8 23.514 21.015 0.256 1.00 0.00 O ATOM 115 CB ILE A 8 20.580 21.754 -0.697 1.00 0.00 C ATOM 116 CG1 ILE A 8 20.176 20.566 -1.575 1.00 0.00 C ATOM 117 CG2 ILE A 8 21.606 22.615 -1.441 1.00 0.00 C ATOM 118 CD1 ILE A 8 18.859 19.979 -1.062 1.00 0.00 C ATOM 0 H ILE A 8 21.562 23.286 0.995 1.00 0.00 H new ATOM 0 HA ILE A 8 20.437 20.611 1.125 1.00 0.00 H new ATOM 0 HB ILE A 8 19.698 22.357 -0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 8 20.065 20.886 -2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 8 20.957 19.805 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 8 21.177 22.961 -2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 8 21.874 23.475 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 8 22.498 22.023 -1.645 1.00 0.00 H new ATOM 0 HD11 ILE A 8 18.570 19.133 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 8 18.987 19.644 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 8 18.081 20.741 -1.101 1.00 0.00 H new ATOM 130 N PRO A 9 22.366 19.114 0.334 1.00 0.00 N ATOM 131 CA PRO A 9 23.556 18.284 -0.031 1.00 0.00 C ATOM 132 C PRO A 9 23.984 18.519 -1.478 1.00 0.00 C ATOM 133 O PRO A 9 23.152 18.807 -2.339 1.00 0.00 O ATOM 134 CB PRO A 9 23.113 16.828 0.183 1.00 0.00 C ATOM 135 CG PRO A 9 21.833 16.895 0.944 1.00 0.00 C ATOM 136 CD PRO A 9 21.207 18.247 0.618 1.00 0.00 C ATOM 0 HA PRO A 9 24.423 18.542 0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 9 22.974 16.319 -0.770 1.00 0.00 H new ATOM 0 HB3 PRO A 9 23.867 16.268 0.736 1.00 0.00 H new ATOM 0 HG2 PRO A 9 21.168 16.080 0.658 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.013 16.798 2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 9 20.537 18.181 -0.240 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.619 18.627 1.453 1.00 0.00 H new ATOM 144 N PHE A 10 25.282 18.395 -1.743 1.00 0.00 N ATOM 145 CA PHE A 10 25.801 18.568 -3.098 1.00 0.00 C ATOM 146 C PHE A 10 25.086 17.618 -4.066 1.00 0.00 C ATOM 147 O PHE A 10 24.723 16.510 -3.665 1.00 0.00 O ATOM 148 CB PHE A 10 27.305 18.288 -3.124 1.00 0.00 C ATOM 149 CG PHE A 10 28.086 19.120 -2.135 1.00 0.00 C ATOM 150 CD1 PHE A 10 27.870 20.500 -2.057 1.00 0.00 C ATOM 151 CD2 PHE A 10 29.029 18.510 -1.298 1.00 0.00 C ATOM 152 CE1 PHE A 10 28.595 21.272 -1.142 1.00 0.00 C ATOM 153 CE2 PHE A 10 29.754 19.281 -0.381 1.00 0.00 C ATOM 154 CZ PHE A 10 29.537 20.663 -0.304 1.00 0.00 C ATOM 0 H PHE A 10 25.990 18.177 -1.042 1.00 0.00 H new ATOM 0 HA PHE A 10 25.621 19.597 -3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 10 27.474 17.232 -2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 10 27.685 18.478 -4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 10 27.143 20.970 -2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 10 29.197 17.445 -1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 10 28.428 22.337 -1.082 1.00 0.00 H new ATOM 0 HE2 PHE A 10 30.480 18.811 0.266 1.00 0.00 H new ATOM 0 HZ PHE A 10 30.097 21.259 0.402 1.00 0.00 H new ATOM 164 N PRO A 11 24.876 18.001 -5.309 1.00 0.00 N ATOM 165 CA PRO A 11 24.038 17.176 -6.238 1.00 0.00 C ATOM 166 C PRO A 11 24.482 15.713 -6.383 1.00 0.00 C ATOM 167 O PRO A 11 23.622 14.857 -6.604 1.00 0.00 O ATOM 168 CB PRO A 11 24.149 17.894 -7.589 1.00 0.00 C ATOM 169 CG PRO A 11 24.574 19.286 -7.276 1.00 0.00 C ATOM 170 CD PRO A 11 25.382 19.214 -5.983 1.00 0.00 C ATOM 0 HA PRO A 11 23.023 17.103 -5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 11 24.874 17.400 -8.236 1.00 0.00 H new ATOM 0 HB3 PRO A 11 23.195 17.886 -8.116 1.00 0.00 H new ATOM 0 HG2 PRO A 11 25.175 19.699 -8.086 1.00 0.00 H new ATOM 0 HG3 PRO A 11 23.709 19.938 -7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 11 26.451 19.142 -6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 11 25.233 20.103 -5.370 1.00 0.00 H new ATOM 178 N PRO A 12 25.756 15.383 -6.284 1.00 0.00 N ATOM 179 CA PRO A 12 26.166 13.952 -6.129 1.00 0.00 C ATOM 180 C PRO A 12 25.527 13.330 -4.891 1.00 0.00 C ATOM 181 O PRO A 12 25.402 13.989 -3.859 1.00 0.00 O ATOM 182 CB PRO A 12 27.689 14.005 -5.989 1.00 0.00 C ATOM 183 CG PRO A 12 28.102 15.285 -6.629 1.00 0.00 C ATOM 184 CD PRO A 12 26.936 16.254 -6.446 1.00 0.00 C ATOM 0 HA PRO A 12 25.847 13.338 -6.971 1.00 0.00 H new ATOM 0 HB2 PRO A 12 27.988 13.975 -4.941 1.00 0.00 H new ATOM 0 HB3 PRO A 12 28.158 13.152 -6.479 1.00 0.00 H new ATOM 0 HG2 PRO A 12 29.008 15.676 -6.166 1.00 0.00 H new ATOM 0 HG3 PRO A 12 28.322 15.137 -7.686 1.00 0.00 H new ATOM 0 HD2 PRO A 12 27.082 16.891 -5.574 1.00 0.00 H new ATOM 0 HD3 PRO A 12 26.828 16.913 -7.308 1.00 0.00 H new ATOM 192 N THR A 13 25.118 12.064 -4.985 1.00 0.00 N ATOM 193 CA THR A 13 24.529 11.373 -3.836 1.00 0.00 C ATOM 194 C THR A 13 25.249 10.042 -3.555 1.00 0.00 C ATOM 195 O THR A 13 26.260 10.023 -2.845 1.00 0.00 O ATOM 196 CB THR A 13 23.021 11.190 -4.070 1.00 0.00 C ATOM 197 OG1 THR A 13 22.420 12.459 -4.283 1.00 0.00 O ATOM 198 CG2 THR A 13 22.390 10.524 -2.846 1.00 0.00 C ATOM 0 H THR A 13 25.182 11.501 -5.833 1.00 0.00 H new ATOM 0 HA THR A 13 24.661 11.981 -2.941 1.00 0.00 H new ATOM 0 HB THR A 13 22.862 10.560 -4.945 1.00 0.00 H new ATOM 0 HG1 THR A 13 21.459 12.344 -4.434 1.00 0.00 H new ATOM 0 HG21 THR A 13 21.321 10.395 -3.013 1.00 0.00 H new ATOM 0 HG22 THR A 13 22.852 9.550 -2.683 1.00 0.00 H new ATOM 0 HG23 THR A 13 22.547 11.152 -1.969 1.00 0.00 H new ATOM 206 N SER A 14 24.749 8.925 -4.098 1.00 0.00 N ATOM 207 CA SER A 14 25.355 7.627 -3.818 1.00 0.00 C ATOM 208 C SER A 14 26.819 7.604 -4.245 1.00 0.00 C ATOM 209 O SER A 14 27.655 6.990 -3.578 1.00 0.00 O ATOM 210 CB SER A 14 24.590 6.527 -4.555 1.00 0.00 C ATOM 211 OG SER A 14 23.217 6.592 -4.196 1.00 0.00 O ATOM 0 H SER A 14 23.942 8.897 -4.721 1.00 0.00 H new ATOM 0 HA SER A 14 25.305 7.452 -2.743 1.00 0.00 H new ATOM 0 HB2 SER A 14 24.703 6.648 -5.632 1.00 0.00 H new ATOM 0 HB3 SER A 14 24.999 5.549 -4.300 1.00 0.00 H new ATOM 0 HG SER A 14 22.722 5.890 -4.667 1.00 0.00 H new ATOM 217 N ILE A 15 27.139 8.287 -5.347 1.00 0.00 N ATOM 218 CA ILE A 15 28.528 8.349 -5.786 1.00 0.00 C ATOM 219 C ILE A 15 29.419 8.980 -4.714 1.00 0.00 C ATOM 220 O ILE A 15 30.576 8.587 -4.554 1.00 0.00 O ATOM 221 CB ILE A 15 28.625 9.126 -7.106 1.00 0.00 C ATOM 222 CG1 ILE A 15 30.061 9.057 -7.632 1.00 0.00 C ATOM 223 CG2 ILE A 15 28.217 10.588 -6.902 1.00 0.00 C ATOM 224 CD1 ILE A 15 30.363 7.635 -8.108 1.00 0.00 C ATOM 0 H ILE A 15 26.474 8.790 -5.935 1.00 0.00 H new ATOM 0 HA ILE A 15 28.884 7.332 -5.950 1.00 0.00 H new ATOM 0 HB ILE A 15 27.946 8.676 -7.831 1.00 0.00 H new ATOM 0 HG12 ILE A 15 30.193 9.762 -8.453 1.00 0.00 H new ATOM 0 HG13 ILE A 15 30.761 9.346 -6.848 1.00 0.00 H new ATOM 0 HG21 ILE A 15 28.292 11.122 -7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 15 27.189 10.632 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 15 28.879 11.052 -6.170 1.00 0.00 H new ATOM 0 HD11 ILE A 15 31.385 7.586 -8.482 1.00 0.00 H new ATOM 0 HD12 ILE A 15 30.248 6.941 -7.276 1.00 0.00 H new ATOM 0 HD13 ILE A 15 29.671 7.364 -8.905 1.00 0.00 H new ATOM 236 N LEU A 16 28.873 9.931 -3.951 1.00 0.00 N ATOM 237 CA LEU A 16 29.625 10.497 -2.836 1.00 0.00 C ATOM 238 C LEU A 16 29.980 9.417 -1.816 1.00 0.00 C ATOM 239 O LEU A 16 31.081 9.413 -1.259 1.00 0.00 O ATOM 240 CB LEU A 16 28.805 11.596 -2.158 1.00 0.00 C ATOM 241 CG LEU A 16 29.652 12.289 -1.089 1.00 0.00 C ATOM 242 CD1 LEU A 16 30.744 13.121 -1.763 1.00 0.00 C ATOM 243 CD2 LEU A 16 28.761 13.206 -0.248 1.00 0.00 C ATOM 0 H LEU A 16 27.937 10.315 -4.082 1.00 0.00 H new ATOM 0 HA LEU A 16 30.549 10.922 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 16 28.471 12.323 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 16 27.910 11.168 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 16 30.111 11.538 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 16 31.347 13.615 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 16 31.379 12.470 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 16 30.285 13.872 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 16 29.364 13.700 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 16 28.302 13.957 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 16 27.982 12.615 0.233 1.00 0.00 H new ATOM 255 N LEU A 17 29.061 8.471 -1.606 1.00 0.00 N ATOM 256 CA LEU A 17 29.359 7.350 -0.717 1.00 0.00 C ATOM 257 C LEU A 17 30.552 6.546 -1.230 1.00 0.00 C ATOM 258 O LEU A 17 31.368 6.060 -0.445 1.00 0.00 O ATOM 259 CB LEU A 17 28.143 6.430 -0.578 1.00 0.00 C ATOM 260 CG LEU A 17 26.931 7.231 -0.095 1.00 0.00 C ATOM 261 CD1 LEU A 17 25.703 6.320 -0.054 1.00 0.00 C ATOM 262 CD2 LEU A 17 27.197 7.775 1.311 1.00 0.00 C ATOM 0 H LEU A 17 28.132 8.458 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 17 29.608 7.763 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 17 27.920 5.961 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.363 5.628 0.126 1.00 0.00 H new ATOM 0 HG LEU A 17 26.754 8.061 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 17 24.839 6.889 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 17 25.506 5.929 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 17 25.887 5.492 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 17 26.332 8.344 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.376 6.945 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.073 8.424 1.291 1.00 0.00 H new ATOM 274 N LEU A 18 30.673 6.436 -2.555 1.00 0.00 N ATOM 275 CA LEU A 18 31.847 5.787 -3.133 1.00 0.00 C ATOM 276 C LEU A 18 33.128 6.521 -2.740 1.00 0.00 C ATOM 277 O LEU A 18 34.167 5.898 -2.522 1.00 0.00 O ATOM 278 CB LEU A 18 31.736 5.731 -4.659 1.00 0.00 C ATOM 279 CG LEU A 18 32.860 4.859 -5.220 1.00 0.00 C ATOM 280 CD1 LEU A 18 32.579 3.391 -4.896 1.00 0.00 C ATOM 281 CD2 LEU A 18 32.937 5.039 -6.737 1.00 0.00 C ATOM 0 H LEU A 18 29.991 6.779 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 18 31.890 4.771 -2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 18 30.767 5.325 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 18 31.798 6.736 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 18 33.807 5.156 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 18 33.381 2.770 -5.296 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.524 3.261 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 18 31.631 3.094 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 18 33.738 4.417 -7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 18 31.989 4.743 -7.187 1.00 0.00 H new ATOM 0 HD23 LEU A 18 33.138 6.085 -6.970 1.00 0.00 H new ATOM 293 N LEU A 19 33.044 7.847 -2.617 1.00 0.00 N ATOM 294 CA LEU A 19 34.186 8.621 -2.133 1.00 0.00 C ATOM 295 C LEU A 19 34.594 8.160 -0.731 1.00 0.00 C ATOM 296 O LEU A 19 35.783 8.076 -0.411 1.00 0.00 O ATOM 297 CB LEU A 19 33.801 10.108 -2.096 1.00 0.00 C ATOM 298 CG LEU A 19 35.011 11.033 -2.315 1.00 0.00 C ATOM 299 CD1 LEU A 19 36.125 10.735 -1.306 1.00 0.00 C ATOM 300 CD2 LEU A 19 35.548 10.868 -3.741 1.00 0.00 C ATOM 0 H LEU A 19 32.215 8.397 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 19 35.031 8.469 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.052 10.306 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 19 33.341 10.338 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 19 34.680 12.061 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 19 36.967 11.404 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.750 10.887 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.452 9.702 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 19 36.404 11.527 -3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.855 9.834 -3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.767 11.126 -4.456 1.00 0.00 H new ATOM 312 N ALA A 20 33.605 7.786 0.081 1.00 0.00 N ATOM 313 CA ALA A 20 33.894 7.247 1.406 1.00 0.00 C ATOM 314 C ALA A 20 34.690 5.951 1.304 1.00 0.00 C ATOM 315 O ALA A 20 35.631 5.717 2.068 1.00 0.00 O ATOM 316 CB ALA A 20 32.589 6.988 2.161 1.00 0.00 C ATOM 0 H ALA A 20 32.614 7.845 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 20 34.491 7.980 1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 20 32.814 6.586 3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 20 32.038 7.923 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 20 31.984 6.271 1.606 1.00 0.00 H new ATOM 322 N CYS A 21 34.331 5.119 0.329 1.00 0.00 N ATOM 323 CA CYS A 21 35.041 3.861 0.135 1.00 0.00 C ATOM 324 C CYS A 21 36.512 4.116 -0.174 1.00 0.00 C ATOM 325 O CYS A 21 37.394 3.411 0.322 1.00 0.00 O ATOM 326 CB CYS A 21 34.407 3.076 -1.015 1.00 0.00 C ATOM 327 SG CYS A 21 32.707 2.637 -0.578 1.00 0.00 S ATOM 0 H CYS A 21 33.568 5.289 -0.326 1.00 0.00 H new ATOM 0 HA CYS A 21 34.970 3.281 1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 21 34.417 3.673 -1.927 1.00 0.00 H new ATOM 0 HB3 CYS A 21 34.986 2.175 -1.218 1.00 0.00 H new ATOM 0 HG CYS A 21 32.166 1.972 -1.555 1.00 0.00 H new ATOM 333 N ILE A 22 36.777 5.135 -0.988 1.00 0.00 N ATOM 334 CA ILE A 22 38.158 5.463 -1.324 1.00 0.00 C ATOM 335 C ILE A 22 38.953 5.826 -0.070 1.00 0.00 C ATOM 336 O ILE A 22 40.141 5.505 0.022 1.00 0.00 O ATOM 337 CB ILE A 22 38.190 6.602 -2.352 1.00 0.00 C ATOM 338 CG1 ILE A 22 37.438 6.149 -3.609 1.00 0.00 C ATOM 339 CG2 ILE A 22 39.637 6.937 -2.733 1.00 0.00 C ATOM 340 CD1 ILE A 22 37.259 7.327 -4.571 1.00 0.00 C ATOM 0 H ILE A 22 36.072 5.734 -1.418 1.00 0.00 H new ATOM 0 HA ILE A 22 38.630 4.586 -1.767 1.00 0.00 H new ATOM 0 HB ILE A 22 37.723 7.488 -1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 22 37.988 5.348 -4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 22 36.464 5.744 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 22 39.643 7.747 -3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 22 40.185 7.247 -1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 22 40.113 6.056 -3.164 1.00 0.00 H new ATOM 0 HD11 ILE A 22 36.724 6.993 -5.460 1.00 0.00 H new ATOM 0 HD12 ILE A 22 36.689 8.115 -4.079 1.00 0.00 H new ATOM 0 HD13 ILE A 22 38.237 7.713 -4.860 1.00 0.00 H new ATOM 352 N PHE A 23 38.306 6.472 0.907 1.00 0.00 N ATOM 353 CA PHE A 23 39.004 6.779 2.154 1.00 0.00 C ATOM 354 C PHE A 23 39.471 5.502 2.849 1.00 0.00 C ATOM 355 O PHE A 23 40.572 5.454 3.405 1.00 0.00 O ATOM 356 CB PHE A 23 38.108 7.583 3.100 1.00 0.00 C ATOM 357 CG PHE A 23 38.071 9.060 2.788 1.00 0.00 C ATOM 358 CD1 PHE A 23 39.147 9.877 3.159 1.00 0.00 C ATOM 359 CD2 PHE A 23 36.963 9.616 2.140 1.00 0.00 C ATOM 360 CE1 PHE A 23 39.115 11.249 2.880 1.00 0.00 C ATOM 361 CE2 PHE A 23 36.932 10.988 1.860 1.00 0.00 C ATOM 362 CZ PHE A 23 38.007 11.804 2.230 1.00 0.00 C ATOM 0 H PHE A 23 37.335 6.782 0.861 1.00 0.00 H new ATOM 0 HA PHE A 23 39.877 7.380 1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 23 37.094 7.185 3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 23 38.458 7.445 4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 23 40.002 9.448 3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 23 36.132 8.988 1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 23 39.945 11.878 3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 23 36.077 11.417 1.358 1.00 0.00 H new ATOM 0 HZ PHE A 23 37.981 12.862 2.014 1.00 0.00 H new ATOM 372 N LEU A 24 38.654 4.449 2.774 1.00 0.00 N ATOM 373 CA LEU A 24 39.084 3.161 3.317 1.00 0.00 C ATOM 374 C LEU A 24 40.329 2.648 2.599 1.00 0.00 C ATOM 375 O LEU A 24 41.213 2.049 3.219 1.00 0.00 O ATOM 376 CB LEU A 24 37.962 2.122 3.226 1.00 0.00 C ATOM 377 CG LEU A 24 36.932 2.381 4.328 1.00 0.00 C ATOM 378 CD1 LEU A 24 36.081 3.598 3.965 1.00 0.00 C ATOM 379 CD2 LEU A 24 36.028 1.155 4.476 1.00 0.00 C ATOM 0 H LEU A 24 37.723 4.459 2.358 1.00 0.00 H new ATOM 0 HA LEU A 24 39.329 3.317 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 24 37.484 2.173 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 24 38.373 1.118 3.328 1.00 0.00 H new ATOM 0 HG LEU A 24 37.450 2.571 5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 24 35.349 3.778 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 24 36.723 4.472 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 24 35.563 3.412 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 24 35.293 1.337 5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 24 35.513 0.966 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 24 36.632 0.287 4.739 1.00 0.00 H new ATOM 391 N ILE A 25 40.419 2.911 1.293 1.00 0.00 N ATOM 392 CA ILE A 25 41.610 2.513 0.547 1.00 0.00 C ATOM 393 C ILE A 25 42.854 3.199 1.107 1.00 0.00 C ATOM 394 O ILE A 25 43.930 2.599 1.156 1.00 0.00 O ATOM 395 CB ILE A 25 41.452 2.842 -0.945 1.00 0.00 C ATOM 396 CG1 ILE A 25 40.185 2.172 -1.487 1.00 0.00 C ATOM 397 CG2 ILE A 25 42.661 2.317 -1.724 1.00 0.00 C ATOM 398 CD1 ILE A 25 39.932 2.637 -2.922 1.00 0.00 C ATOM 0 H ILE A 25 39.702 3.385 0.744 1.00 0.00 H new ATOM 0 HA ILE A 25 41.729 1.435 0.655 1.00 0.00 H new ATOM 0 HB ILE A 25 41.381 3.923 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 25 40.295 1.088 -1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.331 2.422 -0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 25 42.543 2.553 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 25 43.569 2.787 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 25 42.733 1.237 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 25 39.030 2.159 -3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 25 39.803 3.719 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 25 40.782 2.364 -3.548 1.00 0.00 H new ATOM 410 N LYS A 26 42.707 4.447 1.558 1.00 0.00 N ATOM 411 CA LYS A 26 43.839 5.136 2.173 1.00 0.00 C ATOM 412 C LYS A 26 44.335 4.382 3.404 1.00 0.00 C ATOM 413 O LYS A 26 45.540 4.323 3.664 1.00 0.00 O ATOM 414 CB LYS A 26 43.447 6.562 2.570 1.00 0.00 C ATOM 415 CG LYS A 26 43.090 7.362 1.313 1.00 0.00 C ATOM 416 CD LYS A 26 42.529 8.732 1.707 1.00 0.00 C ATOM 417 CE LYS A 26 43.651 9.652 2.201 1.00 0.00 C ATOM 418 NZ LYS A 26 44.166 10.459 1.058 1.00 0.00 N ATOM 0 H LYS A 26 41.842 4.986 1.511 1.00 0.00 H new ATOM 0 HA LYS A 26 44.643 5.175 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 26 42.598 6.540 3.254 1.00 0.00 H new ATOM 0 HB3 LYS A 26 44.270 7.043 3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 26 43.974 7.488 0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 26 42.356 6.816 0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 26 42.029 9.186 0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 26 41.778 8.613 2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 26 43.278 10.309 2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 26 44.457 9.061 2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 44.928 11.084 1.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 44.536 9.823 0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 43.394 11.033 0.663 1.00 0.00 H new ATOM 432 N ILE A 27 43.408 3.763 4.142 1.00 0.00 N ATOM 433 CA ILE A 27 43.810 2.930 5.274 1.00 0.00 C ATOM 434 C ILE A 27 44.685 1.768 4.805 1.00 0.00 C ATOM 435 O ILE A 27 45.654 1.398 5.471 1.00 0.00 O ATOM 436 CB ILE A 27 42.575 2.393 6.010 1.00 0.00 C ATOM 437 CG1 ILE A 27 41.688 3.562 6.449 1.00 0.00 C ATOM 438 CG2 ILE A 27 43.008 1.607 7.251 1.00 0.00 C ATOM 439 CD1 ILE A 27 40.376 3.026 7.029 1.00 0.00 C ATOM 0 H ILE A 27 42.402 3.821 3.981 1.00 0.00 H new ATOM 0 HA ILE A 27 44.389 3.547 5.961 1.00 0.00 H new ATOM 0 HB ILE A 27 42.021 1.739 5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 27 42.207 4.165 7.194 1.00 0.00 H new ATOM 0 HG13 ILE A 27 41.482 4.213 5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.126 1.229 7.768 1.00 0.00 H new ATOM 0 HG22 ILE A 27 43.639 0.770 6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 27 43.568 2.261 7.919 1.00 0.00 H new ATOM 0 HD11 ILE A 27 39.748 3.861 7.340 1.00 0.00 H new ATOM 0 HD12 ILE A 27 39.854 2.442 6.270 1.00 0.00 H new ATOM 0 HD13 ILE A 27 40.591 2.393 7.890 1.00 0.00 H new ATOM 451 N LEU A 28 44.362 1.214 3.634 1.00 0.00 N ATOM 452 CA LEU A 28 45.203 0.165 3.056 1.00 0.00 C ATOM 453 C LEU A 28 46.619 0.668 2.785 1.00 0.00 C ATOM 454 O LEU A 28 47.582 -0.092 2.878 1.00 0.00 O ATOM 455 CB LEU A 28 44.591 -0.370 1.756 1.00 0.00 C ATOM 456 CG LEU A 28 43.156 -0.845 2.004 1.00 0.00 C ATOM 457 CD1 LEU A 28 42.534 -1.292 0.681 1.00 0.00 C ATOM 458 CD2 LEU A 28 43.163 -2.026 2.978 1.00 0.00 C ATOM 0 H LEU A 28 43.544 1.467 3.079 1.00 0.00 H new ATOM 0 HA LEU A 28 45.257 -0.643 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 28 44.597 0.410 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 28 45.194 -1.194 1.374 1.00 0.00 H new ATOM 0 HG LEU A 28 42.575 -0.026 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 28 41.513 -1.631 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 28 42.525 -0.455 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 28 43.120 -2.109 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 28 42.140 -2.361 3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 28 43.745 -2.844 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 28 43.608 -1.716 3.923 1.00 0.00 H new ATOM 470 N ALA A 29 46.742 1.952 2.448 1.00 0.00 N ATOM 471 CA ALA A 29 48.057 2.544 2.230 1.00 0.00 C ATOM 472 C ALA A 29 48.893 2.503 3.504 1.00 0.00 C ATOM 473 O ALA A 29 50.094 2.223 3.463 1.00 0.00 O ATOM 474 CB ALA A 29 47.905 3.993 1.767 1.00 0.00 C ATOM 0 H ALA A 29 45.958 2.592 2.322 1.00 0.00 H new ATOM 0 HA ALA A 29 48.567 1.964 1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 29 48.891 4.429 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 29 47.340 4.020 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 29 47.375 4.565 2.529 1.00 0.00 H new ATOM 480 N ALA A 30 48.245 2.751 4.642 1.00 0.00 N ATOM 481 CA ALA A 30 48.944 2.660 5.920 1.00 0.00 C ATOM 482 C ALA A 30 49.476 1.246 6.135 1.00 0.00 C ATOM 483 O ALA A 30 50.606 1.051 6.590 1.00 0.00 O ATOM 484 CB ALA A 30 47.997 3.030 7.062 1.00 0.00 C ATOM 0 H ALA A 30 47.261 3.010 4.705 1.00 0.00 H new ATOM 0 HA ALA A 30 49.783 3.356 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 30 48.527 2.959 8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.639 4.050 6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.149 2.345 7.068 1.00 0.00 H new ATOM 490 N SER A 31 48.673 0.255 5.751 1.00 0.00 N ATOM 491 CA SER A 31 49.130 -1.130 5.799 1.00 0.00 C ATOM 492 C SER A 31 50.357 -1.331 4.910 1.00 0.00 C ATOM 493 O SER A 31 51.255 -2.104 5.248 1.00 0.00 O ATOM 494 CB SER A 31 48.009 -2.065 5.345 1.00 0.00 C ATOM 495 OG SER A 31 46.844 -1.807 6.117 1.00 0.00 O ATOM 0 H SER A 31 47.720 0.382 5.409 1.00 0.00 H new ATOM 0 HA SER A 31 49.405 -1.363 6.828 1.00 0.00 H new ATOM 0 HB2 SER A 31 47.799 -1.913 4.286 1.00 0.00 H new ATOM 0 HB3 SER A 31 48.316 -3.104 5.464 1.00 0.00 H new ATOM 0 HG SER A 31 46.122 -2.403 5.828 1.00 0.00 H new ATOM 501 N ALA A 32 50.413 -0.613 3.786 1.00 0.00 N ATOM 502 CA ALA A 32 51.545 -0.750 2.880 1.00 0.00 C ATOM 503 C ALA A 32 52.839 -0.347 3.578 1.00 0.00 C ATOM 504 O ALA A 32 53.866 -1.015 3.437 1.00 0.00 O ATOM 505 CB ALA A 32 51.336 0.126 1.645 1.00 0.00 C ATOM 0 H ALA A 32 49.701 0.055 3.489 1.00 0.00 H new ATOM 0 HA ALA A 32 51.618 -1.794 2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 32 52.187 0.017 0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 32 50.426 -0.182 1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.245 1.169 1.950 1.00 0.00 H new ATOM 511 N LEU A 33 52.781 0.734 4.358 1.00 0.00 N ATOM 512 CA LEU A 33 53.960 1.157 5.106 1.00 0.00 C ATOM 513 C LEU A 33 54.420 0.059 6.061 1.00 0.00 C ATOM 514 O LEU A 33 55.623 -0.151 6.246 1.00 0.00 O ATOM 515 CB LEU A 33 53.641 2.427 5.899 1.00 0.00 C ATOM 516 CG LEU A 33 54.917 2.958 6.558 1.00 0.00 C ATOM 517 CD1 LEU A 33 55.841 3.540 5.487 1.00 0.00 C ATOM 518 CD2 LEU A 33 54.550 4.053 7.563 1.00 0.00 C ATOM 0 H LEU A 33 51.954 1.317 4.485 1.00 0.00 H new ATOM 0 HA LEU A 33 54.763 1.359 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 33 53.220 3.184 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 33 52.889 2.214 6.659 1.00 0.00 H new ATOM 0 HG LEU A 33 55.427 2.144 7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 33 56.749 3.918 5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 33 56.100 2.762 4.769 1.00 0.00 H new ATOM 0 HD13 LEU A 33 55.333 4.355 4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 33 55.456 4.433 8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 33 54.041 4.866 7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 33 53.890 3.640 8.326 1.00 0.00 H new ATOM 530 N TRP A 34 53.464 -0.671 6.640 1.00 0.00 N ATOM 531 CA TRP A 34 53.820 -1.834 7.452 1.00 0.00 C ATOM 532 C TRP A 34 54.597 -2.866 6.632 1.00 0.00 C ATOM 533 O TRP A 34 55.492 -3.536 7.146 1.00 0.00 O ATOM 534 CB TRP A 34 52.558 -2.482 8.025 1.00 0.00 C ATOM 535 CG TRP A 34 52.840 -3.463 9.118 1.00 0.00 C ATOM 536 CD1 TRP A 34 52.845 -4.808 8.973 1.00 0.00 C ATOM 537 CD2 TRP A 34 53.154 -3.200 10.517 1.00 0.00 C ATOM 538 NE1 TRP A 34 53.142 -5.388 10.193 1.00 0.00 N ATOM 539 CE2 TRP A 34 53.341 -4.440 11.176 1.00 0.00 C ATOM 540 CE3 TRP A 34 53.293 -2.022 11.269 1.00 0.00 C ATOM 541 CZ2 TRP A 34 53.656 -4.505 12.535 1.00 0.00 C ATOM 542 CZ3 TRP A 34 53.610 -2.083 12.635 1.00 0.00 C ATOM 543 CH2 TRP A 34 53.790 -3.320 13.267 1.00 0.00 C ATOM 0 H TRP A 34 52.464 -0.484 6.565 1.00 0.00 H new ATOM 0 HA TRP A 34 54.457 -1.490 8.267 1.00 0.00 H new ATOM 0 HB2 TRP A 34 51.899 -1.702 8.407 1.00 0.00 H new ATOM 0 HB3 TRP A 34 52.021 -2.988 7.222 1.00 0.00 H new ATOM 0 HD1 TRP A 34 52.649 -5.342 8.055 1.00 0.00 H new ATOM 0 HE1 TRP A 34 53.206 -6.394 10.347 1.00 0.00 H new ATOM 0 HE3 TRP A 34 53.155 -1.062 10.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 53.795 -5.462 13.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 53.716 -1.170 13.202 1.00 0.00 H new ATOM 0 HH2 TRP A 34 54.032 -3.359 14.319 1.00 0.00 H new ATOM 554 N ALA A 35 54.282 -2.959 5.340 1.00 0.00 N ATOM 555 CA ALA A 35 55.033 -3.836 4.447 1.00 0.00 C ATOM 556 C ALA A 35 56.491 -3.401 4.344 1.00 0.00 C ATOM 557 O ALA A 35 57.400 -4.234 4.304 1.00 0.00 O ATOM 558 CB ALA A 35 54.398 -3.826 3.055 1.00 0.00 C ATOM 0 H ALA A 35 53.522 -2.445 4.895 1.00 0.00 H new ATOM 0 HA ALA A 35 55.003 -4.844 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 35 54.963 -4.482 2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 35 53.368 -4.177 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 35 54.410 -2.811 2.657 1.00 0.00 H new ATOM 564 N ALA A 36 56.715 -2.088 4.335 1.00 0.00 N ATOM 565 CA ALA A 36 58.076 -1.573 4.245 1.00 0.00 C ATOM 566 C ALA A 36 58.910 -2.055 5.427 1.00 0.00 C ATOM 567 O ALA A 36 60.082 -2.393 5.273 1.00 0.00 O ATOM 568 CB ALA A 36 58.056 -0.044 4.222 1.00 0.00 C ATOM 0 H ALA A 36 55.987 -1.376 4.388 1.00 0.00 H new ATOM 0 HA ALA A 36 58.524 -1.944 3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 36 59.077 0.332 4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 36 57.485 0.299 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 36 57.592 0.328 5.136 1.00 0.00 H new ATOM 574 N ALA A 37 58.296 -2.089 6.608 1.00 0.00 N ATOM 575 CA ALA A 37 58.967 -2.644 7.781 1.00 0.00 C ATOM 576 C ALA A 37 59.273 -4.132 7.605 1.00 0.00 C ATOM 577 O ALA A 37 60.320 -4.613 8.052 1.00 0.00 O ATOM 578 CB ALA A 37 58.089 -2.451 9.019 1.00 0.00 C ATOM 0 H ALA A 37 57.351 -1.745 6.777 1.00 0.00 H new ATOM 0 HA ALA A 37 59.912 -2.114 7.904 1.00 0.00 H new ATOM 0 HB1 ALA A 37 58.594 -2.866 9.891 1.00 0.00 H new ATOM 0 HB2 ALA A 37 57.910 -1.387 9.176 1.00 0.00 H new ATOM 0 HB3 ALA A 37 57.137 -2.962 8.873 1.00 0.00 H new ATOM 584 N TRP A 38 58.337 -4.846 6.977 1.00 0.00 N ATOM 585 CA TRP A 38 58.512 -6.273 6.704 1.00 0.00 C ATOM 586 C TRP A 38 59.758 -6.556 5.865 1.00 0.00 C ATOM 587 O TRP A 38 60.343 -7.635 5.971 1.00 0.00 O ATOM 588 CB TRP A 38 57.280 -6.820 5.984 1.00 0.00 C ATOM 589 CG TRP A 38 57.234 -8.314 5.937 1.00 0.00 C ATOM 590 CD1 TRP A 38 56.708 -9.105 6.900 1.00 0.00 C ATOM 591 CD2 TRP A 38 57.721 -9.207 4.893 1.00 0.00 C ATOM 592 NE1 TRP A 38 56.842 -10.426 6.515 1.00 0.00 N ATOM 593 CE2 TRP A 38 57.459 -10.542 5.286 1.00 0.00 C ATOM 594 CE3 TRP A 38 58.356 -8.992 3.658 1.00 0.00 C ATOM 595 CZ2 TRP A 38 57.818 -11.625 4.479 1.00 0.00 C ATOM 596 CZ3 TRP A 38 58.717 -10.077 2.846 1.00 0.00 C ATOM 597 CH2 TRP A 38 58.449 -11.390 3.253 1.00 0.00 C ATOM 0 H TRP A 38 57.452 -4.460 6.649 1.00 0.00 H new ATOM 0 HA TRP A 38 58.640 -6.771 7.665 1.00 0.00 H new ATOM 0 HB2 TRP A 38 56.384 -6.452 6.483 1.00 0.00 H new ATOM 0 HB3 TRP A 38 57.261 -6.431 4.966 1.00 0.00 H new ATOM 0 HD1 TRP A 38 56.257 -8.761 7.819 1.00 0.00 H new ATOM 0 HE1 TRP A 38 56.523 -11.219 7.072 1.00 0.00 H new ATOM 0 HE3 TRP A 38 58.567 -7.984 3.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 57.610 -12.635 4.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 59.205 -9.899 1.899 1.00 0.00 H new ATOM 0 HH2 TRP A 38 58.729 -12.220 2.621 1.00 0.00 H new