USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 316 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 15 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 17 MET CE :methyl 176:sc= 0 (180deg=-0.00779) USER MOD Single : C 15 THR OG1 : rot 31:sc= 0.407 USER MOD Single : C 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N LEU A 2 15.975 -5.489 5.614 1.00 0.00 N ATOM 11 CA LEU A 2 14.687 -5.484 4.915 1.00 0.00 C ATOM 12 C LEU A 2 14.023 -4.117 5.044 1.00 0.00 C ATOM 13 O LEU A 2 13.572 -3.539 4.051 1.00 0.00 O ATOM 14 CB LEU A 2 13.759 -6.566 5.500 1.00 0.00 C ATOM 15 CG LEU A 2 12.345 -6.458 4.852 1.00 0.00 C ATOM 16 CD1 LEU A 2 12.448 -6.622 3.318 1.00 0.00 C ATOM 17 CD2 LEU A 2 11.438 -7.560 5.426 1.00 0.00 C ATOM 0 HA LEU A 2 14.865 -5.697 3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 2 14.178 -7.555 5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.683 -6.447 6.581 1.00 0.00 H new ATOM 0 HG LEU A 2 11.923 -5.478 5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.454 -6.545 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.088 -5.839 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 2 12.874 -7.598 3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.448 -7.488 4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.867 -8.537 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.355 -7.437 6.506 1.00 0.00 H new ATOM 29 N PHE A 3 13.966 -3.599 6.264 1.00 0.00 N ATOM 30 CA PHE A 3 13.351 -2.299 6.495 1.00 0.00 C ATOM 31 C PHE A 3 14.154 -1.204 5.807 1.00 0.00 C ATOM 32 O PHE A 3 13.587 -0.328 5.150 1.00 0.00 O ATOM 33 CB PHE A 3 13.260 -2.013 7.992 1.00 0.00 C ATOM 34 CG PHE A 3 12.499 -3.128 8.676 1.00 0.00 C ATOM 35 CD1 PHE A 3 11.102 -3.085 8.740 1.00 0.00 C ATOM 36 CD2 PHE A 3 13.194 -4.203 9.247 1.00 0.00 C ATOM 37 CE1 PHE A 3 10.397 -4.116 9.374 1.00 0.00 C ATOM 38 CE2 PHE A 3 12.488 -5.235 9.881 1.00 0.00 C ATOM 39 CZ PHE A 3 11.090 -5.191 9.945 1.00 0.00 C ATOM 0 H PHE A 3 14.334 -4.053 7.100 1.00 0.00 H new ATOM 0 HA PHE A 3 12.345 -2.315 6.077 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.260 -1.927 8.418 1.00 0.00 H new ATOM 0 HB3 PHE A 3 12.759 -1.060 8.161 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.567 -2.256 8.300 1.00 0.00 H new ATOM 0 HD2 PHE A 3 14.272 -4.236 9.199 1.00 0.00 H new ATOM 0 HE1 PHE A 3 9.319 -4.082 9.423 1.00 0.00 H new ATOM 0 HE2 PHE A 3 13.023 -6.064 10.320 1.00 0.00 H new ATOM 0 HZ PHE A 3 10.546 -5.986 10.434 1.00 0.00 H new ATOM 49 N GLY A 4 15.470 -1.249 5.955 1.00 0.00 N ATOM 50 CA GLY A 4 16.325 -0.248 5.334 1.00 0.00 C ATOM 51 C GLY A 4 16.106 -0.210 3.824 1.00 0.00 C ATOM 52 O GLY A 4 16.144 0.852 3.208 1.00 0.00 O ATOM 0 H GLY A 4 15.965 -1.960 6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.114 0.732 5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.370 -0.472 5.549 1.00 0.00 H new ATOM 56 N ALA A 5 15.882 -1.384 3.233 1.00 0.00 N ATOM 57 CA ALA A 5 15.659 -1.480 1.791 1.00 0.00 C ATOM 58 C ALA A 5 14.350 -0.808 1.402 1.00 0.00 C ATOM 59 O ALA A 5 14.290 -0.060 0.430 1.00 0.00 O ATOM 60 CB ALA A 5 15.618 -2.950 1.371 1.00 0.00 C ATOM 0 H ALA A 5 15.850 -2.276 3.727 1.00 0.00 H new ATOM 0 HA ALA A 5 16.479 -0.973 1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.452 -3.017 0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 5 16.566 -3.427 1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.807 -3.456 1.896 1.00 0.00 H new ATOM 66 N ILE A 6 13.304 -1.082 2.165 1.00 0.00 N ATOM 67 CA ILE A 6 12.001 -0.494 1.887 1.00 0.00 C ATOM 68 C ILE A 6 12.034 1.025 2.107 1.00 0.00 C ATOM 69 O ILE A 6 11.505 1.794 1.299 1.00 0.00 O ATOM 70 CB ILE A 6 10.934 -1.126 2.791 1.00 0.00 C ATOM 71 CG1 ILE A 6 10.865 -2.635 2.514 1.00 0.00 C ATOM 72 CG2 ILE A 6 9.562 -0.489 2.499 1.00 0.00 C ATOM 73 CD1 ILE A 6 9.972 -3.306 3.559 1.00 0.00 C ATOM 0 H ILE A 6 13.329 -1.702 2.975 1.00 0.00 H new ATOM 0 HA ILE A 6 11.751 -0.690 0.844 1.00 0.00 H new ATOM 0 HB ILE A 6 11.196 -0.955 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.470 -2.814 1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.865 -3.067 2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.807 -0.940 3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.610 0.583 2.692 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.297 -0.658 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.923 -4.377 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.386 -3.138 4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.969 -2.882 3.507 1.00 0.00 H new ATOM 85 N ALA A 7 12.659 1.442 3.203 1.00 0.00 N ATOM 86 CA ALA A 7 12.760 2.868 3.523 1.00 0.00 C ATOM 87 C ALA A 7 13.646 3.590 2.516 1.00 0.00 C ATOM 88 O ALA A 7 13.305 4.671 2.041 1.00 0.00 O ATOM 89 CB ALA A 7 13.334 3.043 4.930 1.00 0.00 C ATOM 0 H ALA A 7 13.101 0.822 3.882 1.00 0.00 H new ATOM 0 HA ALA A 7 11.761 3.301 3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 7 13.407 4.105 5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.679 2.557 5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.325 2.592 4.977 1.00 0.00 H new ATOM 95 N ALA A 8 14.783 2.992 2.199 1.00 0.00 N ATOM 96 CA ALA A 8 15.698 3.594 1.251 1.00 0.00 C ATOM 97 C ALA A 8 15.093 3.577 -0.153 1.00 0.00 C ATOM 98 O ALA A 8 15.461 4.381 -1.004 1.00 0.00 O ATOM 99 CB ALA A 8 17.044 2.844 1.256 1.00 0.00 C ATOM 0 H ALA A 8 15.090 2.098 2.582 1.00 0.00 H new ATOM 0 HA ALA A 8 15.872 4.629 1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 8 17.721 3.308 0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 8 17.483 2.891 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.881 1.802 0.980 1.00 0.00 H new ATOM 105 N PHE A 9 14.151 2.660 -0.384 1.00 0.00 N ATOM 106 CA PHE A 9 13.499 2.562 -1.683 1.00 0.00 C ATOM 107 C PHE A 9 12.586 3.767 -1.916 1.00 0.00 C ATOM 108 O PHE A 9 12.541 4.315 -2.998 1.00 0.00 O ATOM 109 CB PHE A 9 12.681 1.255 -1.765 1.00 0.00 C ATOM 110 CG PHE A 9 11.871 1.237 -3.054 1.00 0.00 C ATOM 111 CD1 PHE A 9 12.520 1.324 -4.289 1.00 0.00 C ATOM 112 CD2 PHE A 9 10.472 1.129 -3.004 1.00 0.00 C ATOM 113 CE1 PHE A 9 11.776 1.306 -5.475 1.00 0.00 C ATOM 114 CE2 PHE A 9 9.731 1.112 -4.190 1.00 0.00 C ATOM 115 CZ PHE A 9 10.382 1.200 -5.425 1.00 0.00 C ATOM 0 H PHE A 9 13.828 1.983 0.307 1.00 0.00 H new ATOM 0 HA PHE A 9 14.266 2.552 -2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.349 0.394 -1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.016 1.176 -0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 9 13.596 1.405 -4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 9 9.969 1.059 -2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 9 12.278 1.374 -6.429 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.655 1.031 -4.152 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.808 1.186 -6.340 1.00 0.00 H new ATOM 125 N ILE A 10 11.877 4.159 -0.892 1.00 0.00 N ATOM 126 CA ILE A 10 10.978 5.296 -0.994 1.00 0.00 C ATOM 127 C ILE A 10 11.762 6.622 -1.047 1.00 0.00 C ATOM 128 O ILE A 10 11.288 7.608 -1.613 1.00 0.00 O ATOM 129 CB ILE A 10 10.030 5.312 0.196 1.00 0.00 C ATOM 130 CG1 ILE A 10 9.253 3.991 0.234 1.00 0.00 C ATOM 131 CG2 ILE A 10 9.043 6.481 0.051 1.00 0.00 C ATOM 132 CD1 ILE A 10 8.478 3.890 1.539 1.00 0.00 C ATOM 0 H ILE A 10 11.898 3.714 0.025 1.00 0.00 H new ATOM 0 HA ILE A 10 10.408 5.196 -1.918 1.00 0.00 H new ATOM 0 HB ILE A 10 10.599 5.433 1.118 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.568 3.936 -0.612 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.941 3.150 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.364 6.492 0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.595 7.420 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.469 6.361 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.927 2.950 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.173 3.925 2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.779 4.723 1.612 1.00 0.00 H new ATOM 144 N GLU A 11 12.949 6.642 -0.428 1.00 0.00 N ATOM 145 CA GLU A 11 13.775 7.866 -0.384 1.00 0.00 C ATOM 146 C GLU A 11 14.790 7.940 -1.551 1.00 0.00 C ATOM 147 O GLU A 11 14.855 8.943 -2.264 1.00 0.00 O ATOM 148 CB GLU A 11 14.555 7.897 0.954 1.00 0.00 C ATOM 149 CG GLU A 11 13.656 8.444 2.063 1.00 0.00 C ATOM 150 CD GLU A 11 12.336 7.685 2.082 1.00 0.00 C ATOM 151 OE1 GLU A 11 12.266 6.679 2.762 1.00 0.00 O ATOM 152 OE2 GLU A 11 11.414 8.124 1.418 1.00 0.00 O ATOM 0 H GLU A 11 13.360 5.837 0.046 1.00 0.00 H new ATOM 0 HA GLU A 11 13.102 8.719 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.896 6.894 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.444 8.520 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.154 8.348 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.472 9.506 1.903 1.00 0.00 H new ATOM 159 N GLY A 12 15.587 6.880 -1.716 1.00 0.00 N ATOM 160 CA GLY A 12 16.614 6.849 -2.777 1.00 0.00 C ATOM 161 C GLY A 12 16.216 5.926 -3.904 1.00 0.00 C ATOM 162 O GLY A 12 17.067 5.310 -4.545 1.00 0.00 O ATOM 0 H GLY A 12 15.547 6.039 -1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.767 7.856 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.565 6.522 -2.356 1.00 0.00 H new ATOM 166 N GLY A 13 14.921 5.845 -4.154 1.00 0.00 N ATOM 167 CA GLY A 13 14.399 4.996 -5.229 1.00 0.00 C ATOM 168 C GLY A 13 15.132 3.655 -5.295 1.00 0.00 C ATOM 169 O GLY A 13 15.544 3.112 -4.277 1.00 0.00 O ATOM 0 H GLY A 13 14.207 6.353 -3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.335 4.822 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.499 5.513 -6.183 1.00 0.00 H new ATOM 173 N TRP A 14 15.286 3.133 -6.506 1.00 0.00 N ATOM 174 CA TRP A 14 15.961 1.852 -6.695 1.00 0.00 C ATOM 175 C TRP A 14 17.351 1.868 -6.052 1.00 0.00 C ATOM 176 O TRP A 14 17.684 0.996 -5.250 1.00 0.00 O ATOM 177 CB TRP A 14 16.094 1.553 -8.179 1.00 0.00 C ATOM 178 CG TRP A 14 16.693 0.206 -8.353 1.00 0.00 C ATOM 179 CD1 TRP A 14 18.011 -0.074 -8.265 1.00 0.00 C ATOM 180 CD2 TRP A 14 16.025 -1.048 -8.638 1.00 0.00 C ATOM 181 NE1 TRP A 14 18.192 -1.427 -8.482 1.00 0.00 N ATOM 182 CE2 TRP A 14 16.995 -2.070 -8.716 1.00 0.00 C ATOM 183 CE3 TRP A 14 14.676 -1.398 -8.837 1.00 0.00 C ATOM 184 CZ2 TRP A 14 16.649 -3.387 -8.980 1.00 0.00 C ATOM 185 CZ3 TRP A 14 14.321 -2.734 -9.105 1.00 0.00 C ATOM 186 CH2 TRP A 14 15.311 -3.725 -9.176 1.00 0.00 C ATOM 0 H TRP A 14 14.956 3.571 -7.366 1.00 0.00 H new ATOM 0 HA TRP A 14 15.363 1.077 -6.216 1.00 0.00 H new ATOM 0 HB2 TRP A 14 15.117 1.594 -8.660 1.00 0.00 H new ATOM 0 HB3 TRP A 14 16.718 2.307 -8.660 1.00 0.00 H new ATOM 0 HD1 TRP A 14 18.794 0.641 -8.059 1.00 0.00 H new ATOM 0 HE1 TRP A 14 19.099 -1.893 -8.470 1.00 0.00 H new ATOM 0 HE3 TRP A 14 13.910 -0.638 -8.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 17.414 -4.148 -9.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 13.284 -2.996 -9.256 1.00 0.00 H new ATOM 0 HH2 TRP A 14 15.037 -4.749 -9.382 1.00 0.00 H new ATOM 197 N THR A 15 18.154 2.867 -6.407 1.00 0.00 N ATOM 198 CA THR A 15 19.509 2.990 -5.860 1.00 0.00 C ATOM 199 C THR A 15 19.479 2.899 -4.337 1.00 0.00 C ATOM 200 O THR A 15 20.361 2.294 -3.725 1.00 0.00 O ATOM 201 CB THR A 15 20.120 4.343 -6.287 1.00 0.00 C ATOM 202 OG1 THR A 15 19.800 4.592 -7.650 1.00 0.00 O ATOM 203 CG2 THR A 15 21.644 4.299 -6.122 1.00 0.00 C ATOM 0 H THR A 15 17.896 3.601 -7.067 1.00 0.00 H new ATOM 0 HA THR A 15 20.119 2.175 -6.248 1.00 0.00 H new ATOM 0 HB THR A 15 19.713 5.138 -5.661 1.00 0.00 H new ATOM 0 HG1 THR A 15 20.184 5.451 -7.925 1.00 0.00 H new ATOM 0 HG21 THR A 15 22.070 5.255 -6.424 1.00 0.00 H new ATOM 0 HG22 THR A 15 21.892 4.105 -5.078 1.00 0.00 H new ATOM 0 HG23 THR A 15 22.055 3.505 -6.746 1.00 0.00 H new ATOM 211 N GLY A 16 18.474 3.498 -3.739 1.00 0.00 N ATOM 212 CA GLY A 16 18.343 3.482 -2.295 1.00 0.00 C ATOM 213 C GLY A 16 18.084 2.067 -1.781 1.00 0.00 C ATOM 214 O GLY A 16 18.588 1.678 -0.730 1.00 0.00 O ATOM 0 H GLY A 16 17.734 4.003 -4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 16 19.252 3.877 -1.840 1.00 0.00 H new ATOM 0 HA3 GLY A 16 17.525 4.137 -1.994 1.00 0.00 H new ATOM 218 N MET A 17 17.295 1.304 -2.526 1.00 0.00 N ATOM 219 CA MET A 17 16.976 -0.062 -2.124 1.00 0.00 C ATOM 220 C MET A 17 18.247 -0.886 -1.977 1.00 0.00 C ATOM 221 O MET A 17 18.416 -1.605 -0.989 1.00 0.00 O ATOM 222 CB MET A 17 16.052 -0.713 -3.158 1.00 0.00 C ATOM 223 CG MET A 17 15.557 -2.062 -2.636 1.00 0.00 C ATOM 224 SD MET A 17 14.451 -2.817 -3.863 1.00 0.00 S ATOM 225 CE MET A 17 15.728 -3.596 -4.887 1.00 0.00 C ATOM 0 H MET A 17 16.868 1.602 -3.403 1.00 0.00 H new ATOM 0 HA MET A 17 16.468 -0.028 -1.160 1.00 0.00 H new ATOM 0 HB2 MET A 17 15.204 -0.059 -3.364 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.584 -0.850 -4.099 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.403 -2.721 -2.439 1.00 0.00 H new ATOM 0 HG3 MET A 17 15.031 -1.928 -1.691 1.00 0.00 H new ATOM 0 HE1 MET A 17 15.255 -4.183 -5.674 1.00 0.00 H new ATOM 0 HE2 MET A 17 16.355 -2.825 -5.336 1.00 0.00 H new ATOM 0 HE3 MET A 17 16.343 -4.249 -4.268 1.00 0.00 H new ATOM 235 N ILE A 18 19.141 -0.776 -2.950 1.00 0.00 N ATOM 236 CA ILE A 18 20.393 -1.523 -2.905 1.00 0.00 C ATOM 237 C ILE A 18 21.210 -1.129 -1.676 1.00 0.00 C ATOM 238 O ILE A 18 21.716 -1.988 -0.954 1.00 0.00 O ATOM 239 CB ILE A 18 21.210 -1.250 -4.168 1.00 0.00 C ATOM 240 CG1 ILE A 18 20.464 -1.809 -5.384 1.00 0.00 C ATOM 241 CG2 ILE A 18 22.582 -1.933 -4.054 1.00 0.00 C ATOM 242 CD1 ILE A 18 21.189 -1.391 -6.662 1.00 0.00 C ATOM 0 H ILE A 18 19.026 -0.184 -3.772 1.00 0.00 H new ATOM 0 HA ILE A 18 20.157 -2.585 -2.846 1.00 0.00 H new ATOM 0 HB ILE A 18 21.350 -0.175 -4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 18 20.410 -2.896 -5.323 1.00 0.00 H new ATOM 0 HG13 ILE A 18 19.439 -1.439 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 18 23.162 -1.737 -4.956 1.00 0.00 H new ATOM 0 HG22 ILE A 18 23.114 -1.539 -3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.445 -3.008 -3.938 1.00 0.00 H new ATOM 0 HD11 ILE A 18 20.659 -1.788 -7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 18 21.220 -0.303 -6.723 1.00 0.00 H new ATOM 0 HD13 ILE A 18 22.206 -1.783 -6.648 1.00 0.00 H new ATOM 254 N ASP A 19 21.340 0.175 -1.448 1.00 0.00 N ATOM 255 CA ASP A 19 22.106 0.672 -0.308 1.00 0.00 C ATOM 256 C ASP A 19 21.462 0.250 1.006 1.00 0.00 C ATOM 257 O ASP A 19 22.154 -0.110 1.961 1.00 0.00 O ATOM 258 CB ASP A 19 22.193 2.198 -0.363 1.00 0.00 C ATOM 259 CG ASP A 19 23.072 2.712 0.770 1.00 0.00 C ATOM 260 OD1 ASP A 19 24.077 2.080 1.047 1.00 0.00 O ATOM 261 OD2 ASP A 19 22.727 3.731 1.346 1.00 0.00 O ATOM 0 H ASP A 19 20.928 0.902 -2.033 1.00 0.00 H new ATOM 0 HA ASP A 19 23.107 0.244 -0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 19 22.602 2.513 -1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.195 2.630 -0.285 1.00 0.00 H new ATOM 266 N GLY A 20 20.143 0.296 1.052 1.00 0.00 N ATOM 267 CA GLY A 20 19.425 -0.082 2.255 1.00 0.00 C ATOM 268 C GLY A 20 19.617 -1.560 2.563 1.00 0.00 C ATOM 269 O GLY A 20 19.780 -1.944 3.723 1.00 0.00 O ATOM 0 H GLY A 20 19.550 0.589 0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.776 0.517 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.363 0.133 2.132 1.00 0.00 H new ATOM 273 N TRP A 21 19.595 -2.387 1.523 1.00 0.00 N ATOM 274 CA TRP A 21 19.766 -3.825 1.701 1.00 0.00 C ATOM 275 C TRP A 21 21.187 -4.141 2.156 1.00 0.00 C ATOM 276 O TRP A 21 21.407 -5.047 2.962 1.00 0.00 O ATOM 277 CB TRP A 21 19.473 -4.554 0.384 1.00 0.00 C ATOM 278 CG TRP A 21 19.617 -6.030 0.586 1.00 0.00 C ATOM 279 CD1 TRP A 21 20.638 -6.784 0.116 1.00 0.00 C ATOM 280 CD2 TRP A 21 18.733 -6.936 1.298 1.00 0.00 C ATOM 281 NE1 TRP A 21 20.434 -8.098 0.499 1.00 0.00 N ATOM 282 CE2 TRP A 21 19.271 -8.241 1.230 1.00 0.00 C ATOM 283 CE3 TRP A 21 17.523 -6.754 1.995 1.00 0.00 C ATOM 284 CZ2 TRP A 21 18.640 -9.324 1.826 1.00 0.00 C ATOM 285 CZ3 TRP A 21 16.880 -7.853 2.601 1.00 0.00 C ATOM 286 CH2 TRP A 21 17.443 -9.136 2.513 1.00 0.00 C ATOM 0 H TRP A 21 19.462 -2.090 0.556 1.00 0.00 H new ATOM 0 HA TRP A 21 19.067 -4.165 2.466 1.00 0.00 H new ATOM 0 HB2 TRP A 21 18.464 -4.320 0.043 1.00 0.00 H new ATOM 0 HB3 TRP A 21 20.159 -4.214 -0.392 1.00 0.00 H new ATOM 0 HD1 TRP A 21 21.474 -6.420 -0.463 1.00 0.00 H new ATOM 0 HE1 TRP A 21 21.065 -8.866 0.270 1.00 0.00 H new ATOM 0 HE3 TRP A 21 17.086 -5.769 2.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 19.076 -10.310 1.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 15.952 -7.707 3.134 1.00 0.00 H new ATOM 0 HH2 TRP A 21 16.949 -9.976 2.977 1.00 0.00 H new ATOM 365 N PHE B 3 33.833 -3.455 6.409 1.00 0.00 N ATOM 366 CA PHE B 3 33.268 -2.139 6.649 1.00 0.00 C ATOM 367 C PHE B 3 34.080 -1.070 5.932 1.00 0.00 C ATOM 368 O PHE B 3 33.522 -0.184 5.287 1.00 0.00 O ATOM 369 CB PHE B 3 33.248 -1.840 8.144 1.00 0.00 C ATOM 370 CG PHE B 3 32.361 -2.836 8.846 1.00 0.00 C ATOM 371 CD1 PHE B 3 30.972 -2.663 8.839 1.00 0.00 C ATOM 372 CD2 PHE B 3 32.927 -3.931 9.510 1.00 0.00 C ATOM 373 CE1 PHE B 3 30.150 -3.586 9.494 1.00 0.00 C ATOM 374 CE2 PHE B 3 32.104 -4.854 10.165 1.00 0.00 C ATOM 375 CZ PHE B 3 30.715 -4.681 10.158 1.00 0.00 C ATOM 0 HA PHE B 3 32.249 -2.130 6.263 1.00 0.00 H new ATOM 0 HB2 PHE B 3 34.259 -1.889 8.549 1.00 0.00 H new ATOM 0 HB3 PHE B 3 32.884 -0.827 8.318 1.00 0.00 H new ATOM 0 HD1 PHE B 3 30.535 -1.818 8.328 1.00 0.00 H new ATOM 0 HD2 PHE B 3 33.999 -4.063 9.517 1.00 0.00 H new ATOM 0 HE1 PHE B 3 29.078 -3.454 9.487 1.00 0.00 H new ATOM 0 HE2 PHE B 3 32.540 -5.700 10.676 1.00 0.00 H new ATOM 0 HZ PHE B 3 30.079 -5.392 10.665 1.00 0.00 H new ATOM 385 N GLY B 4 35.399 -1.158 6.045 1.00 0.00 N ATOM 386 CA GLY B 4 36.273 -0.191 5.398 1.00 0.00 C ATOM 387 C GLY B 4 36.062 -0.196 3.891 1.00 0.00 C ATOM 388 O GLY B 4 35.983 0.856 3.262 1.00 0.00 O ATOM 0 H GLY B 4 35.883 -1.883 6.574 1.00 0.00 H new ATOM 0 HA2 GLY B 4 36.077 0.805 5.794 1.00 0.00 H new ATOM 0 HA3 GLY B 4 37.313 -0.425 5.625 1.00 0.00 H new ATOM 392 N ALA B 5 35.972 -1.391 3.317 1.00 0.00 N ATOM 393 CA ALA B 5 35.769 -1.527 1.874 1.00 0.00 C ATOM 394 C ALA B 5 34.487 -0.834 1.436 1.00 0.00 C ATOM 395 O ALA B 5 34.504 0.028 0.560 1.00 0.00 O ATOM 396 CB ALA B 5 35.698 -3.015 1.497 1.00 0.00 C ATOM 0 H ALA B 5 36.035 -2.275 3.822 1.00 0.00 H new ATOM 0 HA ALA B 5 36.610 -1.056 1.366 1.00 0.00 H new ATOM 0 HB1 ALA B 5 35.547 -3.111 0.422 1.00 0.00 H new ATOM 0 HB2 ALA B 5 36.630 -3.506 1.778 1.00 0.00 H new ATOM 0 HB3 ALA B 5 34.867 -3.485 2.024 1.00 0.00 H new ATOM 402 N ILE B 6 33.377 -1.217 2.048 1.00 0.00 N ATOM 403 CA ILE B 6 32.094 -0.627 1.708 1.00 0.00 C ATOM 404 C ILE B 6 32.125 0.878 1.951 1.00 0.00 C ATOM 405 O ILE B 6 31.595 1.660 1.151 1.00 0.00 O ATOM 406 CB ILE B 6 30.977 -1.269 2.550 1.00 0.00 C ATOM 407 CG1 ILE B 6 30.924 -2.781 2.264 1.00 0.00 C ATOM 408 CG2 ILE B 6 29.625 -0.636 2.183 1.00 0.00 C ATOM 409 CD1 ILE B 6 29.977 -3.460 3.259 1.00 0.00 C ATOM 0 H ILE B 6 33.339 -1.929 2.778 1.00 0.00 H new ATOM 0 HA ILE B 6 31.894 -0.811 0.652 1.00 0.00 H new ATOM 0 HB ILE B 6 31.182 -1.102 3.608 1.00 0.00 H new ATOM 0 HG12 ILE B 6 30.583 -2.957 1.244 1.00 0.00 H new ATOM 0 HG13 ILE B 6 31.922 -3.212 2.345 1.00 0.00 H new ATOM 0 HG21 ILE B 6 28.836 -1.092 2.780 1.00 0.00 H new ATOM 0 HG22 ILE B 6 29.658 0.435 2.383 1.00 0.00 H new ATOM 0 HG23 ILE B 6 29.421 -0.801 1.125 1.00 0.00 H new ATOM 0 HD11 ILE B 6 29.941 -4.530 3.055 1.00 0.00 H new ATOM 0 HD12 ILE B 6 30.338 -3.296 4.274 1.00 0.00 H new ATOM 0 HD13 ILE B 6 28.978 -3.037 3.157 1.00 0.00 H new ATOM 421 N ALA B 7 32.742 1.281 3.059 1.00 0.00 N ATOM 422 CA ALA B 7 32.831 2.699 3.398 1.00 0.00 C ATOM 423 C ALA B 7 33.674 3.447 2.363 1.00 0.00 C ATOM 424 O ALA B 7 33.279 4.504 1.872 1.00 0.00 O ATOM 425 CB ALA B 7 33.455 2.865 4.792 1.00 0.00 C ATOM 0 H ALA B 7 33.183 0.654 3.731 1.00 0.00 H new ATOM 0 HA ALA B 7 31.825 3.119 3.399 1.00 0.00 H new ATOM 0 HB1 ALA B 7 33.518 3.925 5.038 1.00 0.00 H new ATOM 0 HB2 ALA B 7 32.835 2.357 5.531 1.00 0.00 H new ATOM 0 HB3 ALA B 7 34.455 2.431 4.797 1.00 0.00 H new ATOM 431 N ALA B 8 34.828 2.883 2.031 1.00 0.00 N ATOM 432 CA ALA B 8 35.714 3.498 1.053 1.00 0.00 C ATOM 433 C ALA B 8 35.043 3.550 -0.312 1.00 0.00 C ATOM 434 O ALA B 8 35.387 4.378 -1.149 1.00 0.00 O ATOM 435 CB ALA B 8 37.011 2.699 0.950 1.00 0.00 C ATOM 0 H ALA B 8 35.171 2.006 2.422 1.00 0.00 H new ATOM 0 HA ALA B 8 35.937 4.514 1.379 1.00 0.00 H new ATOM 0 HB1 ALA B 8 37.668 3.165 0.216 1.00 0.00 H new ATOM 0 HB2 ALA B 8 37.506 2.681 1.921 1.00 0.00 H new ATOM 0 HB3 ALA B 8 36.786 1.679 0.639 1.00 0.00 H new ATOM 441 N PHE B 9 34.088 2.660 -0.529 1.00 0.00 N ATOM 442 CA PHE B 9 33.387 2.621 -1.800 1.00 0.00 C ATOM 443 C PHE B 9 32.495 3.856 -1.949 1.00 0.00 C ATOM 444 O PHE B 9 32.419 4.450 -3.023 1.00 0.00 O ATOM 445 CB PHE B 9 32.532 1.337 -1.891 1.00 0.00 C ATOM 446 CG PHE B 9 32.058 1.132 -3.319 1.00 0.00 C ATOM 447 CD1 PHE B 9 32.910 0.548 -4.256 1.00 0.00 C ATOM 448 CD2 PHE B 9 30.765 1.524 -3.697 1.00 0.00 C ATOM 449 CE1 PHE B 9 32.478 0.352 -5.571 1.00 0.00 C ATOM 450 CE2 PHE B 9 30.333 1.329 -5.013 1.00 0.00 C ATOM 451 CZ PHE B 9 31.189 0.742 -5.950 1.00 0.00 C ATOM 0 H PHE B 9 33.784 1.963 0.150 1.00 0.00 H new ATOM 0 HA PHE B 9 34.120 2.618 -2.607 1.00 0.00 H new ATOM 0 HB2 PHE B 9 33.117 0.477 -1.566 1.00 0.00 H new ATOM 0 HB3 PHE B 9 31.675 1.412 -1.221 1.00 0.00 H new ATOM 0 HD1 PHE B 9 33.905 0.247 -3.965 1.00 0.00 H new ATOM 0 HD2 PHE B 9 30.104 1.976 -2.972 1.00 0.00 H new ATOM 0 HE1 PHE B 9 33.140 -0.101 -6.295 1.00 0.00 H new ATOM 0 HE2 PHE B 9 29.338 1.632 -5.305 1.00 0.00 H new ATOM 0 HZ PHE B 9 30.855 0.590 -6.966 1.00 0.00 H new ATOM 461 N ILE B 10 31.826 4.235 -0.862 1.00 0.00 N ATOM 462 CA ILE B 10 30.941 5.407 -0.889 1.00 0.00 C ATOM 463 C ILE B 10 31.724 6.694 -0.583 1.00 0.00 C ATOM 464 O ILE B 10 31.493 7.734 -1.200 1.00 0.00 O ATOM 465 CB ILE B 10 29.825 5.235 0.139 1.00 0.00 C ATOM 466 CG1 ILE B 10 29.000 4.000 -0.213 1.00 0.00 C ATOM 467 CG2 ILE B 10 28.920 6.473 0.134 1.00 0.00 C ATOM 468 CD1 ILE B 10 27.960 3.754 0.876 1.00 0.00 C ATOM 0 H ILE B 10 31.875 3.758 0.038 1.00 0.00 H new ATOM 0 HA ILE B 10 30.513 5.489 -1.888 1.00 0.00 H new ATOM 0 HB ILE B 10 30.262 5.114 1.130 1.00 0.00 H new ATOM 0 HG12 ILE B 10 28.508 4.141 -1.175 1.00 0.00 H new ATOM 0 HG13 ILE B 10 29.651 3.131 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE B 10 28.125 6.346 0.869 1.00 0.00 H new ATOM 0 HG22 ILE B 10 29.509 7.355 0.385 1.00 0.00 H new ATOM 0 HG23 ILE B 10 28.482 6.599 -0.856 1.00 0.00 H new ATOM 0 HD11 ILE B 10 27.371 2.872 0.624 1.00 0.00 H new ATOM 0 HD12 ILE B 10 28.463 3.594 1.830 1.00 0.00 H new ATOM 0 HD13 ILE B 10 27.302 4.620 0.953 1.00 0.00 H new ATOM 701 N PHE C 3 -1.138 -3.808 6.123 1.00 0.00 N ATOM 702 CA PHE C 3 -1.718 -2.556 6.576 1.00 0.00 C ATOM 703 C PHE C 3 -0.956 -1.369 5.996 1.00 0.00 C ATOM 704 O PHE C 3 -1.555 -0.390 5.549 1.00 0.00 O ATOM 705 CB PHE C 3 -1.688 -2.485 8.103 1.00 0.00 C ATOM 706 CG PHE C 3 -2.601 -3.550 8.673 1.00 0.00 C ATOM 707 CD1 PHE C 3 -3.989 -3.433 8.526 1.00 0.00 C ATOM 708 CD2 PHE C 3 -2.058 -4.655 9.345 1.00 0.00 C ATOM 709 CE1 PHE C 3 -4.835 -4.419 9.052 1.00 0.00 C ATOM 710 CE2 PHE C 3 -2.904 -5.639 9.870 1.00 0.00 C ATOM 711 CZ PHE C 3 -4.292 -5.521 9.723 1.00 0.00 C ATOM 0 HA PHE C 3 -2.751 -2.514 6.231 1.00 0.00 H new ATOM 0 HB2 PHE C 3 -0.670 -2.631 8.465 1.00 0.00 H new ATOM 0 HB3 PHE C 3 -2.008 -1.498 8.439 1.00 0.00 H new ATOM 0 HD1 PHE C 3 -4.407 -2.583 8.007 1.00 0.00 H new ATOM 0 HD2 PHE C 3 -0.988 -4.747 9.457 1.00 0.00 H new ATOM 0 HE1 PHE C 3 -5.905 -4.329 8.940 1.00 0.00 H new ATOM 0 HE2 PHE C 3 -2.486 -6.489 10.389 1.00 0.00 H new ATOM 0 HZ PHE C 3 -4.944 -6.281 10.128 1.00 0.00 H new ATOM 721 N GLY C 4 0.365 -1.464 6.002 1.00 0.00 N ATOM 722 CA GLY C 4 1.198 -0.395 5.477 1.00 0.00 C ATOM 723 C GLY C 4 1.029 -0.268 3.970 1.00 0.00 C ATOM 724 O GLY C 4 1.041 0.838 3.425 1.00 0.00 O ATOM 0 H GLY C 4 0.881 -2.267 6.363 1.00 0.00 H new ATOM 0 HA2 GLY C 4 0.934 0.547 5.958 1.00 0.00 H new ATOM 0 HA3 GLY C 4 2.243 -0.592 5.715 1.00 0.00 H new ATOM 728 N ALA C 5 0.876 -1.407 3.299 1.00 0.00 N ATOM 729 CA ALA C 5 0.713 -1.412 1.849 1.00 0.00 C ATOM 730 C ALA C 5 -0.559 -0.682 1.443 1.00 0.00 C ATOM 731 O ALA C 5 -0.548 0.129 0.516 1.00 0.00 O ATOM 732 CB ALA C 5 0.667 -2.852 1.332 1.00 0.00 C ATOM 0 H ALA C 5 0.862 -2.330 3.732 1.00 0.00 H new ATOM 0 HA ALA C 5 1.566 -0.895 1.409 1.00 0.00 H new ATOM 0 HB1 ALA C 5 0.545 -2.846 0.249 1.00 0.00 H new ATOM 0 HB2 ALA C 5 1.596 -3.361 1.590 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -0.173 -3.376 1.789 1.00 0.00 H new ATOM 738 N ILE C 6 -1.653 -0.970 2.131 1.00 0.00 N ATOM 739 CA ILE C 6 -2.923 -0.327 1.819 1.00 0.00 C ATOM 740 C ILE C 6 -2.820 1.173 2.057 1.00 0.00 C ATOM 741 O ILE C 6 -3.301 1.973 1.258 1.00 0.00 O ATOM 742 CB ILE C 6 -4.050 -0.927 2.697 1.00 0.00 C ATOM 743 CG1 ILE C 6 -4.268 -2.402 2.307 1.00 0.00 C ATOM 744 CG2 ILE C 6 -5.361 -0.142 2.483 1.00 0.00 C ATOM 745 CD1 ILE C 6 -5.157 -3.088 3.358 1.00 0.00 C ATOM 0 H ILE C 6 -1.689 -1.637 2.901 1.00 0.00 H new ATOM 0 HA ILE C 6 -3.160 -0.503 0.770 1.00 0.00 H new ATOM 0 HB ILE C 6 -3.761 -0.860 3.746 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -4.736 -2.463 1.324 1.00 0.00 H new ATOM 0 HG13 ILE C 6 -3.309 -2.915 2.236 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -6.147 -0.571 3.104 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -5.209 0.902 2.759 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -5.654 -0.201 1.435 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -5.310 -4.131 3.080 1.00 0.00 H new ATOM 0 HD12 ILE C 6 -4.672 -3.039 4.333 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -6.120 -2.581 3.407 1.00 0.00 H new ATOM 757 N ALA C 7 -2.189 1.546 3.153 1.00 0.00 N ATOM 758 CA ALA C 7 -2.028 2.955 3.486 1.00 0.00 C ATOM 759 C ALA C 7 -1.187 3.662 2.427 1.00 0.00 C ATOM 760 O ALA C 7 -1.541 4.747 1.970 1.00 0.00 O ATOM 761 CB ALA C 7 -1.368 3.101 4.854 1.00 0.00 C ATOM 0 H ALA C 7 -1.780 0.900 3.828 1.00 0.00 H new ATOM 0 HA ALA C 7 -3.015 3.416 3.515 1.00 0.00 H new ATOM 0 HB1 ALA C 7 -1.253 4.159 5.092 1.00 0.00 H new ATOM 0 HB2 ALA C 7 -1.991 2.625 5.611 1.00 0.00 H new ATOM 0 HB3 ALA C 7 -0.388 2.624 4.838 1.00 0.00 H new ATOM 767 N ALA C 8 -0.079 3.048 2.041 1.00 0.00 N ATOM 768 CA ALA C 8 0.789 3.643 1.036 1.00 0.00 C ATOM 769 C ALA C 8 0.113 3.620 -0.334 1.00 0.00 C ATOM 770 O ALA C 8 0.412 4.443 -1.202 1.00 0.00 O ATOM 771 CB ALA C 8 2.113 2.882 0.969 1.00 0.00 C ATOM 0 H ALA C 8 0.238 2.149 2.403 1.00 0.00 H new ATOM 0 HA ALA C 8 0.983 4.678 1.317 1.00 0.00 H new ATOM 0 HB1 ALA C 8 2.755 3.335 0.214 1.00 0.00 H new ATOM 0 HB2 ALA C 8 2.607 2.926 1.940 1.00 0.00 H new ATOM 0 HB3 ALA C 8 1.922 1.842 0.706 1.00 0.00 H new ATOM 777 N PHE C 9 -0.806 2.675 -0.517 1.00 0.00 N ATOM 778 CA PHE C 9 -1.528 2.550 -1.780 1.00 0.00 C ATOM 779 C PHE C 9 -2.497 3.724 -1.975 1.00 0.00 C ATOM 780 O PHE C 9 -2.612 4.271 -3.072 1.00 0.00 O ATOM 781 CB PHE C 9 -2.318 1.225 -1.792 1.00 0.00 C ATOM 782 CG PHE C 9 -3.009 1.051 -3.137 1.00 0.00 C ATOM 783 CD1 PHE C 9 -2.254 0.770 -4.283 1.00 0.00 C ATOM 784 CD2 PHE C 9 -4.406 1.171 -3.232 1.00 0.00 C ATOM 785 CE1 PHE C 9 -2.892 0.610 -5.520 1.00 0.00 C ATOM 786 CE2 PHE C 9 -5.040 1.012 -4.469 1.00 0.00 C ATOM 787 CZ PHE C 9 -4.285 0.732 -5.612 1.00 0.00 C ATOM 0 H PHE C 9 -1.067 1.988 0.190 1.00 0.00 H new ATOM 0 HA PHE C 9 -0.804 2.559 -2.595 1.00 0.00 H new ATOM 0 HB2 PHE C 9 -1.645 0.388 -1.607 1.00 0.00 H new ATOM 0 HB3 PHE C 9 -3.056 1.224 -0.990 1.00 0.00 H new ATOM 0 HD1 PHE C 9 -1.180 0.677 -4.213 1.00 0.00 H new ATOM 0 HD2 PHE C 9 -4.990 1.386 -2.350 1.00 0.00 H new ATOM 0 HE1 PHE C 9 -2.310 0.392 -6.403 1.00 0.00 H new ATOM 0 HE2 PHE C 9 -6.114 1.106 -4.541 1.00 0.00 H new ATOM 0 HZ PHE C 9 -4.776 0.610 -6.566 1.00 0.00 H new ATOM 797 N ILE C 10 -3.191 4.098 -0.900 1.00 0.00 N ATOM 798 CA ILE C 10 -4.153 5.203 -0.959 1.00 0.00 C ATOM 799 C ILE C 10 -3.435 6.553 -0.934 1.00 0.00 C ATOM 800 O ILE C 10 -3.901 7.525 -1.532 1.00 0.00 O ATOM 801 CB ILE C 10 -5.125 5.112 0.222 1.00 0.00 C ATOM 802 CG1 ILE C 10 -5.836 3.755 0.189 1.00 0.00 C ATOM 803 CG2 ILE C 10 -6.169 6.236 0.122 1.00 0.00 C ATOM 804 CD1 ILE C 10 -6.654 3.571 1.466 1.00 0.00 C ATOM 0 H ILE C 10 -3.108 3.657 0.016 1.00 0.00 H new ATOM 0 HA ILE C 10 -4.708 5.124 -1.894 1.00 0.00 H new ATOM 0 HB ILE C 10 -4.571 5.215 1.155 1.00 0.00 H new ATOM 0 HG12 ILE C 10 -6.487 3.696 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE C 10 -5.104 2.952 0.095 1.00 0.00 H new ATOM 0 HG21 ILE C 10 -6.858 6.168 0.963 1.00 0.00 H new ATOM 0 HG22 ILE C 10 -5.666 7.203 0.142 1.00 0.00 H new ATOM 0 HG23 ILE C 10 -6.724 6.135 -0.811 1.00 0.00 H new ATOM 0 HD11 ILE C 10 -7.158 2.605 1.439 1.00 0.00 H new ATOM 0 HD12 ILE C 10 -5.992 3.611 2.331 1.00 0.00 H new ATOM 0 HD13 ILE C 10 -7.396 4.366 1.540 1.00 0.00 H new ATOM 816 N GLU C 11 -2.310 6.609 -0.228 1.00 0.00 N ATOM 817 CA GLU C 11 -1.545 7.855 -0.118 1.00 0.00 C ATOM 818 C GLU C 11 -0.969 8.253 -1.481 1.00 0.00 C ATOM 819 O GLU C 11 -0.720 9.432 -1.737 1.00 0.00 O ATOM 820 CB GLU C 11 -0.394 7.683 0.920 1.00 0.00 C ATOM 821 CG GLU C 11 -0.713 8.487 2.199 1.00 0.00 C ATOM 822 CD GLU C 11 -2.053 8.042 2.775 1.00 0.00 C ATOM 823 OE1 GLU C 11 -2.339 6.860 2.709 1.00 0.00 O ATOM 824 OE2 GLU C 11 -2.773 8.890 3.274 1.00 0.00 O ATOM 0 H GLU C 11 -1.908 5.817 0.273 1.00 0.00 H new ATOM 0 HA GLU C 11 -2.214 8.646 0.220 1.00 0.00 H new ATOM 0 HB2 GLU C 11 -0.269 6.628 1.165 1.00 0.00 H new ATOM 0 HB3 GLU C 11 0.548 8.025 0.491 1.00 0.00 H new ATOM 0 HG2 GLU C 11 0.076 8.340 2.937 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -0.742 9.552 1.971 1.00 0.00 H new ATOM 869 N THR C 15 -5.945 9.406 -7.828 1.00 0.00 N ATOM 870 CA THR C 15 -5.926 10.078 -9.132 1.00 0.00 C ATOM 871 C THR C 15 -4.596 9.842 -9.846 1.00 0.00 C ATOM 872 O THR C 15 -4.542 9.786 -11.076 1.00 0.00 O ATOM 873 CB THR C 15 -6.153 11.591 -8.942 1.00 0.00 C ATOM 874 OG1 THR C 15 -7.175 11.794 -7.971 1.00 0.00 O ATOM 875 CG2 THR C 15 -6.577 12.231 -10.279 1.00 0.00 C ATOM 0 HA THR C 15 -6.726 9.663 -9.745 1.00 0.00 H new ATOM 0 HB THR C 15 -5.227 12.055 -8.604 1.00 0.00 H new ATOM 0 HG1 THR C 15 -7.156 11.064 -7.318 1.00 0.00 H new ATOM 0 HG21 THR C 15 -6.736 13.300 -10.137 1.00 0.00 H new ATOM 0 HG22 THR C 15 -5.794 12.076 -11.021 1.00 0.00 H new ATOM 0 HG23 THR C 15 -7.502 11.770 -10.626 1.00 0.00 H new ATOM 883 N GLY C 16 -3.532 9.705 -9.070 1.00 0.00 N ATOM 884 CA GLY C 16 -2.215 9.474 -9.641 1.00 0.00 C ATOM 885 C GLY C 16 -2.166 8.131 -10.346 1.00 0.00 C ATOM 886 O GLY C 16 -1.586 8.002 -11.422 1.00 0.00 O ATOM 0 H GLY C 16 -3.554 9.749 -8.051 1.00 0.00 H new ATOM 0 HA2 GLY C 16 -1.974 10.270 -10.346 1.00 0.00 H new ATOM 0 HA3 GLY C 16 -1.461 9.506 -8.854 1.00 0.00 H new ATOM 890 N MET C 17 -2.774 7.133 -9.723 1.00 0.00 N ATOM 891 CA MET C 17 -2.795 5.789 -10.284 1.00 0.00 C ATOM 892 C MET C 17 -3.440 5.782 -11.676 1.00 0.00 C ATOM 893 O MET C 17 -2.928 5.154 -12.603 1.00 0.00 O ATOM 894 CB MET C 17 -3.565 4.852 -9.352 1.00 0.00 C ATOM 895 CG MET C 17 -3.459 3.411 -9.866 1.00 0.00 C ATOM 896 SD MET C 17 -4.066 2.261 -8.588 1.00 0.00 S ATOM 897 CE MET C 17 -5.843 2.343 -8.992 1.00 0.00 C ATOM 0 H MET C 17 -3.259 7.227 -8.830 1.00 0.00 H new ATOM 0 HA MET C 17 -1.766 5.443 -10.383 1.00 0.00 H new ATOM 0 HB2 MET C 17 -3.163 4.918 -8.341 1.00 0.00 H new ATOM 0 HB3 MET C 17 -4.611 5.154 -9.300 1.00 0.00 H new ATOM 0 HG2 MET C 17 -4.042 3.296 -10.780 1.00 0.00 H new ATOM 0 HG3 MET C 17 -2.424 3.179 -10.117 1.00 0.00 H new ATOM 0 HE1 MET C 17 -6.401 1.698 -8.313 1.00 0.00 H new ATOM 0 HE2 MET C 17 -6.193 3.370 -8.887 1.00 0.00 H new ATOM 0 HE3 MET C 17 -5.999 2.010 -10.018 1.00 0.00 H new ATOM 907 N ILE C 18 -4.555 6.481 -11.817 1.00 0.00 N ATOM 908 CA ILE C 18 -5.242 6.536 -13.102 1.00 0.00 C ATOM 909 C ILE C 18 -4.360 7.207 -14.147 1.00 0.00 C ATOM 910 O ILE C 18 -4.241 6.726 -15.279 1.00 0.00 O ATOM 911 CB ILE C 18 -6.560 7.300 -12.964 1.00 0.00 C ATOM 912 CG1 ILE C 18 -7.503 6.515 -12.034 1.00 0.00 C ATOM 913 CG2 ILE C 18 -7.210 7.451 -14.345 1.00 0.00 C ATOM 914 CD1 ILE C 18 -8.622 7.435 -11.528 1.00 0.00 C ATOM 0 H ILE C 18 -5.001 7.013 -11.069 1.00 0.00 H new ATOM 0 HA ILE C 18 -5.455 5.517 -13.424 1.00 0.00 H new ATOM 0 HB ILE C 18 -6.371 8.288 -12.545 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -7.931 5.667 -12.568 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -6.943 6.111 -11.191 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -8.149 7.995 -14.247 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -6.539 8.001 -15.005 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -7.404 6.464 -14.765 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -9.286 6.873 -10.871 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -8.186 8.269 -10.977 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -9.190 7.817 -12.376 1.00 0.00 H new ATOM 926 N ASP C 19 -3.747 8.316 -13.763 1.00 0.00 N ATOM 927 CA ASP C 19 -2.875 9.048 -14.670 1.00 0.00 C ATOM 928 C ASP C 19 -1.774 8.141 -15.212 1.00 0.00 C ATOM 929 O ASP C 19 -1.491 8.140 -16.410 1.00 0.00 O ATOM 930 CB ASP C 19 -2.242 10.234 -13.938 1.00 0.00 C ATOM 931 CG ASP C 19 -1.127 10.836 -14.786 1.00 0.00 C ATOM 932 OD1 ASP C 19 -1.443 11.526 -15.741 1.00 0.00 O ATOM 933 OD2 ASP C 19 0.026 10.597 -14.469 1.00 0.00 O ATOM 0 H ASP C 19 -3.836 8.728 -12.834 1.00 0.00 H new ATOM 0 HA ASP C 19 -3.475 9.409 -15.505 1.00 0.00 H new ATOM 0 HB2 ASP C 19 -3.000 10.989 -13.729 1.00 0.00 H new ATOM 0 HB3 ASP C 19 -1.844 9.908 -12.977 1.00 0.00 H new ATOM 938 N GLY C 20 -1.155 7.376 -14.323 1.00 0.00 N ATOM 939 CA GLY C 20 -0.084 6.475 -14.723 1.00 0.00 C ATOM 940 C GLY C 20 -0.609 5.373 -15.627 1.00 0.00 C ATOM 941 O GLY C 20 0.031 5.011 -16.614 1.00 0.00 O ATOM 0 H GLY C 20 -1.374 7.361 -13.327 1.00 0.00 H new ATOM 0 HA2 GLY C 20 0.693 7.036 -15.241 1.00 0.00 H new ATOM 0 HA3 GLY C 20 0.376 6.036 -13.838 1.00 0.00 H new ATOM 945 N TRP C 21 -1.782 4.843 -15.292 1.00 0.00 N ATOM 946 CA TRP C 21 -2.383 3.782 -16.093 1.00 0.00 C ATOM 947 C TRP C 21 -2.444 4.200 -17.571 1.00 0.00 C ATOM 948 O TRP C 21 -1.969 3.483 -18.453 1.00 0.00 O ATOM 949 CB TRP C 21 -3.809 3.484 -15.574 1.00 0.00 C ATOM 950 CG TRP C 21 -4.171 2.059 -15.867 1.00 0.00 C ATOM 951 CD1 TRP C 21 -3.633 1.303 -16.850 1.00 0.00 C ATOM 952 CD2 TRP C 21 -5.135 1.217 -15.189 1.00 0.00 C ATOM 953 NE1 TRP C 21 -4.208 0.050 -16.814 1.00 0.00 N ATOM 954 CE2 TRP C 21 -5.142 -0.052 -15.805 1.00 0.00 C ATOM 955 CE3 TRP C 21 -6.001 1.430 -14.103 1.00 0.00 C ATOM 956 CZ2 TRP C 21 -5.971 -1.071 -15.368 1.00 0.00 C ATOM 957 CZ3 TRP C 21 -6.844 0.397 -13.657 1.00 0.00 C ATOM 958 CH2 TRP C 21 -6.824 -0.852 -14.293 1.00 0.00 C ATOM 0 H TRP C 21 -2.330 5.127 -14.480 1.00 0.00 H new ATOM 0 HA TRP C 21 -1.771 2.884 -16.007 1.00 0.00 H new ATOM 0 HB2 TRP C 21 -3.861 3.668 -14.501 1.00 0.00 H new ATOM 0 HB3 TRP C 21 -4.525 4.155 -16.048 1.00 0.00 H new ATOM 0 HD1 TRP C 21 -2.877 1.627 -17.549 1.00 0.00 H new ATOM 0 HE1 TRP C 21 -3.972 -0.708 -17.455 1.00 0.00 H new ATOM 0 HE3 TRP C 21 -6.019 2.390 -13.609 1.00 0.00 H new ATOM 0 HZ2 TRP C 21 -5.955 -2.032 -15.860 1.00 0.00 H new ATOM 0 HZ3 TRP C 21 -7.508 0.566 -12.823 1.00 0.00 H new ATOM 0 HH2 TRP C 21 -7.472 -1.644 -13.948 1.00 0.00 H new ATOM 969 N TYR C 22 -3.027 5.372 -17.825 1.00 0.00 N ATOM 970 CA TYR C 22 -3.139 5.884 -19.191 1.00 0.00 C ATOM 971 C TYR C 22 -1.761 6.264 -19.732 1.00 0.00 C ATOM 972 O TYR C 22 -1.480 6.093 -20.919 1.00 0.00 O ATOM 973 CB TYR C 22 -4.071 7.120 -19.216 1.00 0.00 C ATOM 974 CG TYR C 22 -5.514 6.668 -19.375 1.00 0.00 C ATOM 975 CD1 TYR C 22 -6.277 6.342 -18.245 1.00 0.00 C ATOM 976 CD2 TYR C 22 -6.080 6.575 -20.652 1.00 0.00 C ATOM 977 CE1 TYR C 22 -7.607 5.923 -18.396 1.00 0.00 C ATOM 978 CE2 TYR C 22 -7.410 6.156 -20.801 1.00 0.00 C ATOM 979 CZ TYR C 22 -8.171 5.830 -19.673 1.00 0.00 C ATOM 980 OH TYR C 22 -9.480 5.417 -19.821 1.00 0.00 O ATOM 0 H TYR C 22 -3.426 5.980 -17.110 1.00 0.00 H new ATOM 0 HA TYR C 22 -3.561 5.102 -19.823 1.00 0.00 H new ATOM 0 HB2 TYR C 22 -3.958 7.692 -18.295 1.00 0.00 H new ATOM 0 HB3 TYR C 22 -3.794 7.781 -20.037 1.00 0.00 H new ATOM 0 HD1 TYR C 22 -5.841 6.413 -17.259 1.00 0.00 H new ATOM 0 HD2 TYR C 22 -5.492 6.826 -21.523 1.00 0.00 H new ATOM 0 HE1 TYR C 22 -8.196 5.672 -17.526 1.00 0.00 H new ATOM 0 HE2 TYR C 22 -7.847 6.085 -21.786 1.00 0.00 H new ATOM 0 HH TYR C 22 -9.715 5.409 -20.772 1.00 0.00 H new