USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 430 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 1 GLY N :NH3+ 159:sc= 0.555 (180deg=0.329) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0849 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 0.931 (180deg=0.916) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0.896 (180deg=0.896) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 150:sc= 0.0212 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0249 K(o=-0.025,f=-1.2) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.333 USER MOD Single : A 43 ASN : amide:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -134:sc= 0.462 (180deg=0.0641) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.749 -3.142 -3.165 1.00 0.00 N ATOM 2 CA GLY A 1 17.486 -2.543 -1.861 1.00 0.00 C ATOM 3 C GLY A 1 18.090 -1.149 -1.764 1.00 0.00 C ATOM 4 O GLY A 1 19.022 -0.918 -0.993 1.00 0.00 O ATOM 0 H1 GLY A 1 17.657 -4.176 -3.097 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.065 -2.778 -3.859 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.713 -2.900 -3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.410 -2.489 -1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.900 -3.177 -1.077 1.00 0.00 H new ATOM 10 N THR A 2 17.555 -0.220 -2.550 1.00 0.00 N ATOM 11 CA THR A 2 18.025 1.159 -2.537 1.00 0.00 C ATOM 12 C THR A 2 17.324 1.970 -1.455 1.00 0.00 C ATOM 13 O THR A 2 16.355 1.511 -0.852 1.00 0.00 O ATOM 14 CB THR A 2 17.807 1.844 -3.899 1.00 0.00 C ATOM 15 OG1 THR A 2 16.403 2.010 -4.134 1.00 0.00 O ATOM 16 CG2 THR A 2 18.408 1.008 -5.018 1.00 0.00 C ATOM 0 H THR A 2 16.794 -0.399 -3.205 1.00 0.00 H new ATOM 0 HA THR A 2 19.094 1.123 -2.326 1.00 0.00 H new ATOM 0 HB THR A 2 18.297 2.817 -3.882 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.266 2.448 -5.000 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.245 1.507 -5.973 1.00 0.00 H new ATOM 0 HG22 THR A 2 19.478 0.889 -4.849 1.00 0.00 H new ATOM 0 HG23 THR A 2 17.933 0.027 -5.035 1.00 0.00 H new ATOM 24 N ILE A 3 17.820 3.179 -1.214 1.00 0.00 N ATOM 25 CA ILE A 3 17.204 4.081 -0.249 1.00 0.00 C ATOM 26 C ILE A 3 15.785 4.446 -0.664 1.00 0.00 C ATOM 27 O ILE A 3 14.884 4.524 0.172 1.00 0.00 O ATOM 28 CB ILE A 3 18.027 5.371 -0.076 1.00 0.00 C ATOM 29 CG1 ILE A 3 19.367 5.064 0.597 1.00 0.00 C ATOM 30 CG2 ILE A 3 17.245 6.397 0.729 1.00 0.00 C ATOM 31 CD1 ILE A 3 20.344 6.217 0.568 1.00 0.00 C ATOM 0 H ILE A 3 18.648 3.557 -1.675 1.00 0.00 H new ATOM 0 HA ILE A 3 17.175 3.550 0.703 1.00 0.00 H new ATOM 0 HB ILE A 3 18.226 5.790 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.185 4.780 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.821 4.203 0.106 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.841 7.302 0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 3 16.317 6.636 0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.015 5.989 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.269 5.923 1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.557 6.488 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.912 7.073 1.086 1.00 0.00 H new ATOM 43 N ASP A 4 15.592 4.670 -1.959 1.00 0.00 N ATOM 44 CA ASP A 4 14.268 4.959 -2.498 1.00 0.00 C ATOM 45 C ASP A 4 13.332 3.769 -2.329 1.00 0.00 C ATOM 46 O ASP A 4 12.151 3.934 -2.025 1.00 0.00 O ATOM 47 CB ASP A 4 14.364 5.348 -3.975 1.00 0.00 C ATOM 48 CG ASP A 4 14.952 6.729 -4.226 1.00 0.00 C ATOM 49 OD1 ASP A 4 15.070 7.482 -3.288 1.00 0.00 O ATOM 50 OD2 ASP A 4 15.422 6.965 -5.313 1.00 0.00 O ATOM 0 H ASP A 4 16.337 4.657 -2.656 1.00 0.00 H new ATOM 0 HA ASP A 4 13.856 5.798 -1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 4 14.973 4.608 -4.494 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.367 5.306 -4.415 1.00 0.00 H new ATOM 55 N GLU A 5 13.868 2.570 -2.528 1.00 0.00 N ATOM 56 CA GLU A 5 13.100 1.345 -2.331 1.00 0.00 C ATOM 57 C GLU A 5 12.799 1.116 -0.856 1.00 0.00 C ATOM 58 O GLU A 5 11.776 0.527 -0.506 1.00 0.00 O ATOM 59 CB GLU A 5 13.851 0.144 -2.908 1.00 0.00 C ATOM 60 CG GLU A 5 13.917 0.114 -4.429 1.00 0.00 C ATOM 61 CD GLU A 5 14.817 -0.987 -4.915 1.00 0.00 C ATOM 62 OE1 GLU A 5 15.498 -1.573 -4.108 1.00 0.00 O ATOM 63 OE2 GLU A 5 14.742 -1.320 -6.075 1.00 0.00 O ATOM 0 H GLU A 5 14.832 2.420 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 5 12.153 1.456 -2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.867 0.142 -2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.371 -0.771 -2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.915 -0.026 -4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.280 1.073 -4.798 1.00 0.00 H new ATOM 70 N TRP A 6 13.696 1.583 0.005 1.00 0.00 N ATOM 71 CA TRP A 6 13.485 1.509 1.447 1.00 0.00 C ATOM 72 C TRP A 6 12.347 2.420 1.885 1.00 0.00 C ATOM 73 O TRP A 6 11.526 2.046 2.722 1.00 0.00 O ATOM 74 CB TRP A 6 14.769 1.877 2.193 1.00 0.00 C ATOM 75 CG TRP A 6 15.858 0.857 2.052 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.714 -0.437 1.650 1.00 0.00 C ATOM 77 CD2 TRP A 6 17.255 1.046 2.309 1.00 0.00 C ATOM 78 NE1 TRP A 6 16.934 -1.069 1.643 1.00 0.00 N ATOM 79 CE2 TRP A 6 17.897 -0.176 2.043 1.00 0.00 C ATOM 80 CE3 TRP A 6 18.025 2.135 2.740 1.00 0.00 C ATOM 81 CZ2 TRP A 6 19.264 -0.345 2.193 1.00 0.00 C ATOM 82 CZ3 TRP A 6 19.396 1.965 2.888 1.00 0.00 C ATOM 83 CH2 TRP A 6 19.998 0.761 2.622 1.00 0.00 C ATOM 0 H TRP A 6 14.577 2.017 -0.270 1.00 0.00 H new ATOM 0 HA TRP A 6 13.212 0.483 1.693 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.131 2.837 1.824 1.00 0.00 H new ATOM 0 HB3 TRP A 6 14.540 2.008 3.251 1.00 0.00 H new ATOM 0 HD1 TRP A 6 14.777 -0.899 1.377 1.00 0.00 H new ATOM 0 HE1 TRP A 6 17.097 -2.042 1.383 1.00 0.00 H new ATOM 0 HE3 TRP A 6 17.562 3.087 2.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 19.741 -1.292 1.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 20.000 2.797 3.219 1.00 0.00 H new ATOM 0 HH2 TRP A 6 21.067 0.667 2.748 1.00 0.00 H new ATOM 94 N LEU A 7 12.302 3.619 1.313 1.00 0.00 N ATOM 95 CA LEU A 7 11.203 4.544 1.559 1.00 0.00 C ATOM 96 C LEU A 7 9.882 3.977 1.054 1.00 0.00 C ATOM 97 O LEU A 7 8.866 4.034 1.747 1.00 0.00 O ATOM 98 CB LEU A 7 11.491 5.898 0.897 1.00 0.00 C ATOM 99 CG LEU A 7 12.757 6.609 1.389 1.00 0.00 C ATOM 100 CD1 LEU A 7 13.179 7.677 0.390 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.496 7.223 2.757 1.00 0.00 C ATOM 0 H LEU A 7 13.015 3.973 0.675 1.00 0.00 H new ATOM 0 HA LEU A 7 11.117 4.688 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.573 5.748 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.637 6.555 1.063 1.00 0.00 H new ATOM 0 HG LEU A 7 13.568 5.886 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 7 14.079 8.176 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.382 7.213 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 7 12.378 8.408 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.396 7.728 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.681 7.943 2.683 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.224 6.438 3.462 1.00 0.00 H new ATOM 113 N LEU A 8 9.903 3.432 -0.157 1.00 0.00 N ATOM 114 CA LEU A 8 8.721 2.805 -0.735 1.00 0.00 C ATOM 115 C LEU A 8 8.285 1.594 0.080 1.00 0.00 C ATOM 116 O LEU A 8 7.092 1.368 0.285 1.00 0.00 O ATOM 117 CB LEU A 8 8.993 2.399 -2.189 1.00 0.00 C ATOM 118 CG LEU A 8 7.988 1.408 -2.790 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.572 1.955 -2.656 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.332 1.157 -4.251 1.00 0.00 C ATOM 0 H LEU A 8 10.727 3.412 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 8 7.910 3.532 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.004 3.299 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.989 1.961 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 8 8.042 0.463 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.865 1.245 -3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.339 2.107 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.498 2.905 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.617 0.453 -4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.288 2.097 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.337 0.742 -4.322 1.00 0.00 H new ATOM 132 N LYS A 9 9.259 0.816 0.543 1.00 0.00 N ATOM 133 CA LYS A 9 8.988 -0.292 1.451 1.00 0.00 C ATOM 134 C LYS A 9 8.234 0.180 2.687 1.00 0.00 C ATOM 135 O LYS A 9 7.334 -0.502 3.174 1.00 0.00 O ATOM 136 CB LYS A 9 10.291 -0.980 1.859 1.00 0.00 C ATOM 137 CG LYS A 9 10.106 -2.207 2.741 1.00 0.00 C ATOM 138 CD LYS A 9 11.413 -2.965 2.917 1.00 0.00 C ATOM 139 CE LYS A 9 11.986 -3.402 1.577 1.00 0.00 C ATOM 140 NZ LYS A 9 13.327 -4.030 1.723 1.00 0.00 N ATOM 0 H LYS A 9 10.244 0.933 0.304 1.00 0.00 H new ATOM 0 HA LYS A 9 8.360 -1.010 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.830 -1.273 0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.918 -0.260 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.726 -1.902 3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.358 -2.865 2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.135 -2.333 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.246 -3.840 3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.304 -4.109 1.104 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.060 -2.539 0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.681 -4.313 0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.985 -3.348 2.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.253 -4.869 2.333 1.00 0.00 H new ATOM 154 N GLU A 10 8.610 1.351 3.192 1.00 0.00 N ATOM 155 CA GLU A 10 7.914 1.958 4.320 1.00 0.00 C ATOM 156 C GLU A 10 6.554 2.501 3.901 1.00 0.00 C ATOM 157 O GLU A 10 5.598 2.474 4.676 1.00 0.00 O ATOM 158 CB GLU A 10 8.760 3.075 4.934 1.00 0.00 C ATOM 159 CG GLU A 10 9.999 2.592 5.674 1.00 0.00 C ATOM 160 CD GLU A 10 10.836 3.746 6.149 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.488 4.866 5.862 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.762 3.517 6.893 1.00 0.00 O ATOM 0 H GLU A 10 9.394 1.899 2.837 1.00 0.00 H new ATOM 0 HA GLU A 10 7.755 1.182 5.069 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.068 3.758 4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.139 3.646 5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.701 1.981 6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.592 1.956 5.017 1.00 0.00 H new ATOM 169 N ALA A 11 6.473 2.994 2.669 1.00 0.00 N ATOM 170 CA ALA A 11 5.211 3.468 2.115 1.00 0.00 C ATOM 171 C ALA A 11 4.193 2.339 2.017 1.00 0.00 C ATOM 172 O ALA A 11 3.011 2.529 2.301 1.00 0.00 O ATOM 173 CB ALA A 11 5.436 4.104 0.751 1.00 0.00 C ATOM 0 H ALA A 11 7.268 3.075 2.035 1.00 0.00 H new ATOM 0 HA ALA A 11 4.809 4.223 2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.484 4.453 0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.119 4.948 0.851 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.867 3.367 0.073 1.00 0.00 H new ATOM 179 N LYS A 12 4.659 1.163 1.612 1.00 0.00 N ATOM 180 CA LYS A 12 3.792 -0.002 1.482 1.00 0.00 C ATOM 181 C LYS A 12 3.244 -0.434 2.836 1.00 0.00 C ATOM 182 O LYS A 12 2.056 -0.725 2.972 1.00 0.00 O ATOM 183 CB LYS A 12 4.545 -1.160 0.826 1.00 0.00 C ATOM 184 CG LYS A 12 4.927 -0.919 -0.628 1.00 0.00 C ATOM 185 CD LYS A 12 6.044 -1.853 -1.070 1.00 0.00 C ATOM 186 CE LYS A 12 6.379 -1.660 -2.541 1.00 0.00 C ATOM 187 NZ LYS A 12 7.394 -2.640 -3.014 1.00 0.00 N ATOM 0 H LYS A 12 5.634 0.991 1.368 1.00 0.00 H new ATOM 0 HA LYS A 12 2.951 0.278 0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.451 -1.359 1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.928 -2.057 0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.054 -1.066 -1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.244 0.116 -0.756 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.933 -1.671 -0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.746 -2.887 -0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.471 -1.762 -3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.751 -0.648 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.594 -2.474 -4.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.269 -2.526 -2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.029 -3.606 -2.888 1.00 0.00 H new ATOM 201 N GLU A 13 4.117 -0.473 3.837 1.00 0.00 N ATOM 202 CA GLU A 13 3.733 -0.918 5.171 1.00 0.00 C ATOM 203 C GLU A 13 2.803 0.086 5.840 1.00 0.00 C ATOM 204 O GLU A 13 1.808 -0.292 6.460 1.00 0.00 O ATOM 205 CB GLU A 13 4.974 -1.144 6.039 1.00 0.00 C ATOM 206 CG GLU A 13 5.809 -2.351 5.638 1.00 0.00 C ATOM 207 CD GLU A 13 7.072 -2.436 6.450 1.00 0.00 C ATOM 208 OE1 GLU A 13 7.309 -1.551 7.238 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.744 -3.437 6.365 1.00 0.00 O ATOM 0 H GLU A 13 5.096 -0.201 3.749 1.00 0.00 H new ATOM 0 HA GLU A 13 3.198 -1.862 5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.600 -0.253 5.995 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.661 -1.262 7.076 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.225 -3.261 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.059 -2.287 4.579 1.00 0.00 H new ATOM 216 N LYS A 14 3.132 1.367 5.711 1.00 0.00 N ATOM 217 CA LYS A 14 2.466 2.410 6.481 1.00 0.00 C ATOM 218 C LYS A 14 1.088 2.721 5.913 1.00 0.00 C ATOM 219 O LYS A 14 0.156 3.033 6.654 1.00 0.00 O ATOM 220 CB LYS A 14 3.320 3.678 6.514 1.00 0.00 C ATOM 221 CG LYS A 14 4.562 3.578 7.390 1.00 0.00 C ATOM 222 CD LYS A 14 4.196 3.511 8.865 1.00 0.00 C ATOM 223 CE LYS A 14 3.393 4.731 9.293 1.00 0.00 C ATOM 224 NZ LYS A 14 2.746 4.535 10.619 1.00 0.00 N ATOM 0 H LYS A 14 3.857 1.708 5.079 1.00 0.00 H new ATOM 0 HA LYS A 14 2.338 2.042 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.627 3.921 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.706 4.506 6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.133 2.691 7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.205 4.440 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.618 2.607 9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.104 3.442 9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.049 5.601 9.335 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.629 4.943 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.266 5.412 10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.050 3.764 10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.469 4.291 11.325 1.00 0.00 H new ATOM 238 N ALA A 15 0.965 2.634 4.593 1.00 0.00 N ATOM 239 CA ALA A 15 -0.254 3.047 3.909 1.00 0.00 C ATOM 240 C ALA A 15 -1.426 2.146 4.277 1.00 0.00 C ATOM 241 O ALA A 15 -2.543 2.618 4.486 1.00 0.00 O ATOM 242 CB ALA A 15 -0.040 3.056 2.402 1.00 0.00 C ATOM 0 H ALA A 15 1.696 2.281 3.975 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.496 4.059 4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.959 3.367 1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.760 3.753 2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.233 2.055 2.067 1.00 0.00 H new ATOM 248 N ILE A 16 -1.164 0.846 4.354 1.00 0.00 N ATOM 249 CA ILE A 16 -2.222 -0.140 4.544 1.00 0.00 C ATOM 250 C ILE A 16 -2.743 -0.118 5.975 1.00 0.00 C ATOM 251 O ILE A 16 -3.870 -0.537 6.242 1.00 0.00 O ATOM 252 CB ILE A 16 -1.736 -1.561 4.206 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.146 -1.602 2.794 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.878 -2.558 4.339 1.00 0.00 C ATOM 255 CD1 ILE A 16 -1.963 -0.850 1.769 1.00 0.00 C ATOM 0 H ILE A 16 -0.226 0.450 4.288 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.029 0.129 3.863 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.954 -1.838 4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.139 -1.185 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.053 -2.641 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.518 -3.558 4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.254 -2.546 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.681 -2.285 3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.482 -0.925 0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.963 -1.280 1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.035 0.198 2.059 1.00 0.00 H new ATOM 267 N GLU A 17 -1.918 0.373 6.894 1.00 0.00 N ATOM 268 CA GLU A 17 -2.303 0.467 8.297 1.00 0.00 C ATOM 269 C GLU A 17 -3.641 1.180 8.455 1.00 0.00 C ATOM 270 O GLU A 17 -4.432 0.845 9.336 1.00 0.00 O ATOM 271 CB GLU A 17 -1.222 1.195 9.100 1.00 0.00 C ATOM 272 CG GLU A 17 0.047 0.386 9.323 1.00 0.00 C ATOM 273 CD GLU A 17 1.090 1.192 10.046 1.00 0.00 C ATOM 274 OE1 GLU A 17 0.854 2.351 10.288 1.00 0.00 O ATOM 275 OE2 GLU A 17 2.073 0.623 10.456 1.00 0.00 O ATOM 0 H GLU A 17 -0.978 0.712 6.692 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.410 -0.547 8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.963 2.119 8.583 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.634 1.476 10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.187 -0.510 9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.442 0.054 8.363 1.00 0.00 H new ATOM 282 N GLU A 18 -3.887 2.163 7.595 1.00 0.00 N ATOM 283 CA GLU A 18 -5.167 2.862 7.577 1.00 0.00 C ATOM 284 C GLU A 18 -6.294 1.934 7.142 1.00 0.00 C ATOM 285 O GLU A 18 -7.407 2.009 7.662 1.00 0.00 O ATOM 286 CB GLU A 18 -5.099 4.077 6.652 1.00 0.00 C ATOM 287 CG GLU A 18 -4.117 5.153 7.095 1.00 0.00 C ATOM 288 CD GLU A 18 -4.439 5.648 8.479 1.00 0.00 C ATOM 289 OE1 GLU A 18 -5.560 6.035 8.705 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.597 5.535 9.339 1.00 0.00 O ATOM 0 H GLU A 18 -3.216 2.494 6.901 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.377 3.201 8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.824 3.742 5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.093 4.518 6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.103 4.754 7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.145 5.986 6.392 1.00 0.00 H new ATOM 297 N LEU A 19 -5.999 1.060 6.186 1.00 0.00 N ATOM 298 CA LEU A 19 -6.959 0.057 5.742 1.00 0.00 C ATOM 299 C LEU A 19 -7.299 -0.915 6.864 1.00 0.00 C ATOM 300 O LEU A 19 -8.451 -1.321 7.020 1.00 0.00 O ATOM 301 CB LEU A 19 -6.410 -0.701 4.527 1.00 0.00 C ATOM 302 CG LEU A 19 -6.851 -0.156 3.162 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.810 1.366 3.172 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.945 -0.713 2.075 1.00 0.00 C ATOM 0 H LEU A 19 -5.101 1.026 5.703 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.876 0.571 5.454 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.321 -0.686 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.718 -1.744 4.600 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.875 -0.469 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.124 1.745 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.482 1.743 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.794 1.701 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.259 -0.325 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.916 -0.412 2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.010 -1.801 2.069 1.00 0.00 H new ATOM 316 N LYS A 20 -6.290 -1.285 7.645 1.00 0.00 N ATOM 317 CA LYS A 20 -6.499 -2.116 8.825 1.00 0.00 C ATOM 318 C LYS A 20 -7.417 -1.427 9.828 1.00 0.00 C ATOM 319 O LYS A 20 -8.243 -2.073 10.473 1.00 0.00 O ATOM 320 CB LYS A 20 -5.162 -2.457 9.484 1.00 0.00 C ATOM 321 CG LYS A 20 -4.219 -3.272 8.608 1.00 0.00 C ATOM 322 CD LYS A 20 -2.981 -3.704 9.380 1.00 0.00 C ATOM 323 CE LYS A 20 -2.004 -4.453 8.486 1.00 0.00 C ATOM 324 NZ LYS A 20 -0.766 -4.840 9.216 1.00 0.00 N ATOM 0 H LYS A 20 -5.318 -1.022 7.482 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.979 -3.039 8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.664 -1.530 9.769 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.354 -3.011 10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.740 -4.152 8.230 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.922 -2.681 7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.490 -2.828 9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.274 -4.340 10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.486 -5.347 8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.741 -3.828 7.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.127 -5.348 8.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.291 -3.986 9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.013 -5.457 10.016 1.00 0.00 H new ATOM 338 N LYS A 21 -7.264 -0.114 9.956 1.00 0.00 N ATOM 339 CA LYS A 21 -8.165 0.686 10.777 1.00 0.00 C ATOM 340 C LYS A 21 -9.572 0.704 10.194 1.00 0.00 C ATOM 341 O LYS A 21 -10.556 0.817 10.926 1.00 0.00 O ATOM 342 CB LYS A 21 -7.636 2.113 10.920 1.00 0.00 C ATOM 343 CG LYS A 21 -6.370 2.234 11.758 1.00 0.00 C ATOM 344 CD LYS A 21 -5.835 3.659 11.749 1.00 0.00 C ATOM 345 CE LYS A 21 -4.458 3.738 12.393 1.00 0.00 C ATOM 346 NZ LYS A 21 -3.835 5.076 12.210 1.00 0.00 N ATOM 0 H LYS A 21 -6.523 0.420 9.501 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.212 0.227 11.764 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.439 2.516 9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.413 2.733 11.367 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.579 1.928 12.783 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.609 1.555 11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.780 4.022 10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.526 4.312 12.282 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.542 3.520 13.458 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.811 2.974 11.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.899 5.088 12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.731 5.274 11.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.439 5.803 12.644 1.00 0.00 H new ATOM 360 N ALA A 22 -9.661 0.592 8.874 1.00 0.00 N ATOM 361 CA ALA A 22 -10.940 0.692 8.181 1.00 0.00 C ATOM 362 C ALA A 22 -11.659 -0.650 8.156 1.00 0.00 C ATOM 363 O ALA A 22 -12.806 -0.743 7.719 1.00 0.00 O ATOM 364 CB ALA A 22 -10.736 1.214 6.766 1.00 0.00 C ATOM 0 H ALA A 22 -8.862 0.432 8.261 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.566 1.397 8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.700 1.283 6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.275 2.201 6.805 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.087 0.532 6.217 1.00 0.00 H new ATOM 370 N GLY A 23 -10.978 -1.690 8.625 1.00 0.00 N ATOM 371 CA GLY A 23 -11.574 -3.017 8.722 1.00 0.00 C ATOM 372 C GLY A 23 -11.341 -3.819 7.448 1.00 0.00 C ATOM 373 O GLY A 23 -12.037 -4.799 7.184 1.00 0.00 O ATOM 0 H GLY A 23 -10.011 -1.639 8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.148 -3.549 9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.644 -2.925 8.907 1.00 0.00 H new ATOM 377 N ILE A 24 -10.356 -3.398 6.661 1.00 0.00 N ATOM 378 CA ILE A 24 -10.006 -4.097 5.431 1.00 0.00 C ATOM 379 C ILE A 24 -9.074 -5.268 5.709 1.00 0.00 C ATOM 380 O ILE A 24 -8.026 -5.105 6.333 1.00 0.00 O ATOM 381 CB ILE A 24 -9.341 -3.153 4.414 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.261 -1.971 4.099 1.00 0.00 C ATOM 383 CG2 ILE A 24 -8.984 -3.906 3.141 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.570 -2.371 3.458 1.00 0.00 C ATOM 0 H ILE A 24 -9.786 -2.575 6.854 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.938 -4.472 5.007 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.422 -2.766 4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.470 -1.429 5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.738 -1.282 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.515 -3.222 2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.292 -4.714 3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -9.889 -4.322 2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.168 -1.480 3.265 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.372 -2.886 2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.115 -3.035 4.128 1.00 0.00 H new ATOM 396 N THR A 25 -9.462 -6.451 5.242 1.00 0.00 N ATOM 397 CA THR A 25 -8.695 -7.664 5.499 1.00 0.00 C ATOM 398 C THR A 25 -8.354 -8.386 4.201 1.00 0.00 C ATOM 399 O THR A 25 -7.939 -9.544 4.214 1.00 0.00 O ATOM 400 CB THR A 25 -9.458 -8.629 6.425 1.00 0.00 C ATOM 401 OG1 THR A 25 -10.720 -8.966 5.833 1.00 0.00 O ATOM 402 CG2 THR A 25 -9.696 -7.988 7.784 1.00 0.00 C ATOM 0 H THR A 25 -10.303 -6.595 4.684 1.00 0.00 H new ATOM 0 HA THR A 25 -7.774 -7.354 5.992 1.00 0.00 H new ATOM 0 HB THR A 25 -8.859 -9.530 6.559 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.204 -9.582 6.422 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.236 -8.684 8.425 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.738 -7.741 8.242 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.284 -7.079 7.659 1.00 0.00 H new ATOM 410 N SER A 26 -8.532 -7.693 3.081 1.00 0.00 N ATOM 411 CA SER A 26 -8.284 -8.281 1.770 1.00 0.00 C ATOM 412 C SER A 26 -6.792 -8.371 1.480 1.00 0.00 C ATOM 413 O SER A 26 -6.141 -7.363 1.201 1.00 0.00 O ATOM 414 CB SER A 26 -8.983 -7.472 0.695 1.00 0.00 C ATOM 415 OG SER A 26 -8.664 -7.921 -0.593 1.00 0.00 O ATOM 0 H SER A 26 -8.847 -6.723 3.055 1.00 0.00 H new ATOM 0 HA SER A 26 -8.687 -9.294 1.770 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.061 -7.530 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.704 -6.423 0.792 1.00 0.00 H new ATOM 0 HG SER A 26 -9.420 -7.754 -1.194 1.00 0.00 H new ATOM 421 N ASP A 27 -6.253 -9.584 1.547 1.00 0.00 N ATOM 422 CA ASP A 27 -4.857 -9.822 1.201 1.00 0.00 C ATOM 423 C ASP A 27 -4.613 -9.610 -0.287 1.00 0.00 C ATOM 424 O ASP A 27 -3.506 -9.266 -0.702 1.00 0.00 O ATOM 425 CB ASP A 27 -4.438 -11.238 1.606 1.00 0.00 C ATOM 426 CG ASP A 27 -4.275 -11.442 3.107 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.250 -10.466 3.819 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.334 -12.566 3.543 1.00 0.00 O ATOM 0 H ASP A 27 -6.763 -10.418 1.838 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.251 -9.102 1.751 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.181 -11.944 1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.495 -11.479 1.115 1.00 0.00 H new ATOM 433 N TYR A 28 -5.654 -9.816 -1.087 1.00 0.00 N ATOM 434 CA TYR A 28 -5.563 -9.618 -2.528 1.00 0.00 C ATOM 435 C TYR A 28 -5.086 -8.211 -2.863 1.00 0.00 C ATOM 436 O TYR A 28 -4.069 -8.031 -3.531 1.00 0.00 O ATOM 437 CB TYR A 28 -6.916 -9.886 -3.192 1.00 0.00 C ATOM 438 CG TYR A 28 -6.930 -9.623 -4.682 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.437 -10.561 -5.576 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.441 -8.437 -5.189 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.448 -10.325 -6.937 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.458 -8.191 -6.548 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.960 -9.138 -7.419 1.00 0.00 C ATOM 444 OH TYR A 28 -6.976 -8.898 -8.774 1.00 0.00 O ATOM 0 H TYR A 28 -6.571 -10.120 -0.761 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.831 -10.327 -2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.198 -10.924 -3.013 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.673 -9.263 -2.716 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.038 -11.492 -5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.832 -7.694 -4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.058 -11.065 -7.620 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.859 -7.262 -6.927 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.370 -8.017 -8.946 1.00 0.00 H new ATOM 454 N TYR A 29 -5.829 -7.214 -2.393 1.00 0.00 N ATOM 455 CA TYR A 29 -5.525 -5.821 -2.701 1.00 0.00 C ATOM 456 C TYR A 29 -4.264 -5.360 -1.982 1.00 0.00 C ATOM 457 O TYR A 29 -3.546 -4.485 -2.466 1.00 0.00 O ATOM 458 CB TYR A 29 -6.703 -4.920 -2.325 1.00 0.00 C ATOM 459 CG TYR A 29 -7.915 -5.093 -3.215 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.863 -4.761 -4.559 1.00 0.00 C ATOM 461 CD2 TYR A 29 -9.108 -5.585 -2.706 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.966 -4.915 -5.376 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.218 -5.745 -3.513 1.00 0.00 C ATOM 464 CZ TYR A 29 -10.142 -5.408 -4.849 1.00 0.00 C ATOM 465 OH TYR A 29 -11.245 -5.565 -5.658 1.00 0.00 O ATOM 0 H TYR A 29 -6.646 -7.345 -1.797 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.351 -5.748 -3.775 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.990 -5.125 -1.293 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.380 -3.880 -2.366 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.944 -4.375 -4.975 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.170 -5.848 -1.660 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.908 -4.651 -6.422 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -11.139 -6.131 -3.101 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.989 -5.924 -5.131 1.00 0.00 H new ATOM 475 N PHE A 30 -4.000 -5.955 -0.823 1.00 0.00 N ATOM 476 CA PHE A 30 -2.746 -5.726 -0.113 1.00 0.00 C ATOM 477 C PHE A 30 -1.555 -6.203 -0.934 1.00 0.00 C ATOM 478 O PHE A 30 -0.451 -5.674 -0.809 1.00 0.00 O ATOM 479 CB PHE A 30 -2.766 -6.431 1.245 1.00 0.00 C ATOM 480 CG PHE A 30 -3.748 -5.843 2.218 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.670 -4.892 1.806 1.00 0.00 C ATOM 482 CD2 PHE A 30 -3.753 -6.242 3.546 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.574 -4.351 2.700 1.00 0.00 C ATOM 484 CE2 PHE A 30 -4.657 -5.702 4.442 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.566 -4.757 4.019 1.00 0.00 C ATOM 0 H PHE A 30 -4.638 -6.599 -0.355 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.642 -4.653 0.046 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.004 -7.484 1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.768 -6.389 1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.681 -4.571 0.775 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.043 -6.982 3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.286 -3.611 2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.651 -6.021 5.474 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.272 -4.334 4.719 1.00 0.00 H new ATOM 495 N ASP A 31 -1.785 -7.207 -1.774 1.00 0.00 N ATOM 496 CA ASP A 31 -0.747 -7.714 -2.663 1.00 0.00 C ATOM 497 C ASP A 31 -0.416 -6.705 -3.756 1.00 0.00 C ATOM 498 O ASP A 31 0.735 -6.591 -4.180 1.00 0.00 O ATOM 499 CB ASP A 31 -1.178 -9.043 -3.289 1.00 0.00 C ATOM 500 CG ASP A 31 -0.068 -9.783 -4.021 1.00 0.00 C ATOM 501 OD1 ASP A 31 0.908 -10.122 -3.395 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.270 -10.142 -5.157 1.00 0.00 O ATOM 0 H ASP A 31 -2.682 -7.686 -1.857 1.00 0.00 H new ATOM 0 HA ASP A 31 0.150 -7.878 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.573 -9.689 -2.505 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.994 -8.854 -3.987 1.00 0.00 H new ATOM 507 N LEU A 32 -1.430 -5.976 -4.207 1.00 0.00 N ATOM 508 CA LEU A 32 -1.300 -5.131 -5.389 1.00 0.00 C ATOM 509 C LEU A 32 -0.264 -4.034 -5.170 1.00 0.00 C ATOM 510 O LEU A 32 0.449 -3.648 -6.097 1.00 0.00 O ATOM 511 CB LEU A 32 -2.657 -4.517 -5.754 1.00 0.00 C ATOM 512 CG LEU A 32 -3.452 -5.282 -6.820 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.787 -6.681 -6.319 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.720 -4.513 -7.159 1.00 0.00 C ATOM 0 H LEU A 32 -2.352 -5.953 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.960 -5.755 -6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.263 -4.449 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.495 -3.498 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.849 -5.379 -7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.351 -7.216 -7.083 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.865 -7.221 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.385 -6.609 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.284 -5.057 -7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.329 -4.403 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.456 -3.527 -7.542 1.00 0.00 H new ATOM 526 N ILE A 33 -0.187 -3.538 -3.941 1.00 0.00 N ATOM 527 CA ILE A 33 0.772 -2.495 -3.595 1.00 0.00 C ATOM 528 C ILE A 33 2.198 -3.030 -3.614 1.00 0.00 C ATOM 529 O ILE A 33 3.157 -2.264 -3.714 1.00 0.00 O ATOM 530 CB ILE A 33 0.477 -1.894 -2.209 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.531 -2.981 -1.132 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.878 -1.204 -2.205 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.027 -2.489 0.208 1.00 0.00 C ATOM 0 H ILE A 33 -0.777 -3.841 -3.167 1.00 0.00 H new ATOM 0 HA ILE A 33 0.671 -1.713 -4.348 1.00 0.00 H new ATOM 0 HB ILE A 33 1.241 -1.150 -1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.465 -3.405 -1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.179 -3.787 -1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.070 -0.785 -1.217 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.881 -0.404 -2.945 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.656 -1.928 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.037 -3.316 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.036 -2.092 0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.366 -1.704 0.575 1.00 0.00 H new ATOM 545 N ASN A 34 2.331 -4.348 -3.517 1.00 0.00 N ATOM 546 CA ASN A 34 3.638 -4.992 -3.570 1.00 0.00 C ATOM 547 C ASN A 34 4.180 -5.025 -4.994 1.00 0.00 C ATOM 548 O ASN A 34 5.386 -4.917 -5.212 1.00 0.00 O ATOM 549 CB ASN A 34 3.589 -6.395 -2.995 1.00 0.00 C ATOM 550 CG ASN A 34 3.401 -6.433 -1.503 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.785 -5.502 -0.786 1.00 0.00 O ATOM 552 ND2 ASN A 34 2.888 -7.538 -1.027 1.00 0.00 N ATOM 0 H ASN A 34 1.549 -4.992 -3.401 1.00 0.00 H new ATOM 0 HA ASN A 34 4.315 -4.396 -2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.775 -6.944 -3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.513 -6.914 -3.249 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.789 -7.662 -0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.587 -8.276 -1.663 1.00 0.00 H new ATOM 559 N LYS A 35 3.279 -5.174 -5.959 1.00 0.00 N ATOM 560 CA LYS A 35 3.623 -4.979 -7.363 1.00 0.00 C ATOM 561 C LYS A 35 3.984 -3.526 -7.645 1.00 0.00 C ATOM 562 O LYS A 35 4.713 -3.231 -8.592 1.00 0.00 O ATOM 563 CB LYS A 35 2.466 -5.417 -8.263 1.00 0.00 C ATOM 564 CG LYS A 35 2.770 -5.350 -9.755 1.00 0.00 C ATOM 565 CD LYS A 35 1.616 -5.901 -10.579 1.00 0.00 C ATOM 566 CE LYS A 35 1.917 -5.833 -12.069 1.00 0.00 C ATOM 567 NZ LYS A 35 0.792 -6.361 -12.888 1.00 0.00 N ATOM 0 H LYS A 35 2.305 -5.429 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 35 4.495 -5.595 -7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.189 -6.439 -8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.600 -4.790 -8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.964 -4.317 -10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.676 -5.917 -9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.423 -6.935 -10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.710 -5.335 -10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.118 -4.800 -12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.821 -6.404 -12.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.037 -6.297 -13.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.616 -7.355 -12.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.065 -5.801 -12.704 1.00 0.00 H new ATOM 581 N ALA A 36 3.470 -2.623 -6.817 1.00 0.00 N ATOM 582 CA ALA A 36 3.602 -1.192 -7.067 1.00 0.00 C ATOM 583 C ALA A 36 5.031 -0.721 -6.829 1.00 0.00 C ATOM 584 O ALA A 36 5.320 -0.065 -5.829 1.00 0.00 O ATOM 585 CB ALA A 36 2.631 -0.410 -6.195 1.00 0.00 C ATOM 0 H ALA A 36 2.958 -2.857 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 36 3.359 -1.009 -8.114 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.742 0.656 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.610 -0.717 -6.422 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.845 -0.608 -5.145 1.00 0.00 H new ATOM 591 N LYS A 37 5.923 -1.060 -7.754 1.00 0.00 N ATOM 592 CA LYS A 37 7.332 -0.711 -7.625 1.00 0.00 C ATOM 593 C LYS A 37 7.524 0.799 -7.582 1.00 0.00 C ATOM 594 O LYS A 37 8.640 1.288 -7.401 1.00 0.00 O ATOM 595 CB LYS A 37 8.141 -1.311 -8.776 1.00 0.00 C ATOM 596 CG LYS A 37 9.649 -1.291 -8.563 1.00 0.00 C ATOM 597 CD LYS A 37 10.373 -2.051 -9.663 1.00 0.00 C ATOM 598 CE LYS A 37 11.864 -2.152 -9.379 1.00 0.00 C ATOM 599 NZ LYS A 37 12.577 -2.946 -10.417 1.00 0.00 N ATOM 0 H LYS A 37 5.694 -1.577 -8.603 1.00 0.00 H new ATOM 0 HA LYS A 37 7.693 -1.127 -6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.822 -2.342 -8.930 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.908 -0.766 -9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.001 -0.260 -8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.888 -1.733 -7.595 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.950 -3.051 -9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.216 -1.549 -10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.292 -1.151 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.017 -2.612 -8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.590 -2.990 -10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.186 -3.909 -10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.454 -2.494 -11.345 1.00 0.00 H new ATOM 613 N THR A 38 6.430 1.535 -7.749 1.00 0.00 N ATOM 614 CA THR A 38 6.433 2.974 -7.522 1.00 0.00 C ATOM 615 C THR A 38 5.636 3.337 -6.277 1.00 0.00 C ATOM 616 O THR A 38 4.711 2.622 -5.890 1.00 0.00 O ATOM 617 CB THR A 38 5.857 3.739 -8.729 1.00 0.00 C ATOM 618 OG1 THR A 38 4.457 3.451 -8.855 1.00 0.00 O ATOM 619 CG2 THR A 38 6.570 3.333 -10.008 1.00 0.00 C ATOM 0 H THR A 38 5.529 1.157 -8.041 1.00 0.00 H new ATOM 0 HA THR A 38 7.474 3.266 -7.382 1.00 0.00 H new ATOM 0 HB THR A 38 6.004 4.807 -8.567 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.090 3.939 -9.622 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.150 3.884 -10.849 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.632 3.560 -9.920 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.440 2.263 -10.173 1.00 0.00 H new ATOM 627 N VAL A 39 5.999 4.452 -5.650 1.00 0.00 N ATOM 628 CA VAL A 39 5.250 4.970 -4.512 1.00 0.00 C ATOM 629 C VAL A 39 3.860 5.433 -4.930 1.00 0.00 C ATOM 630 O VAL A 39 2.889 5.250 -4.198 1.00 0.00 O ATOM 631 CB VAL A 39 5.988 6.141 -3.836 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.109 6.782 -2.771 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.298 5.664 -3.226 1.00 0.00 C ATOM 0 H VAL A 39 6.809 5.014 -5.912 1.00 0.00 H new ATOM 0 HA VAL A 39 5.157 4.151 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 39 6.213 6.890 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.647 7.607 -2.304 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.195 7.158 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.855 6.040 -2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.806 6.504 -2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.094 4.896 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.934 5.249 -4.008 1.00 0.00 H new ATOM 643 N GLU A 40 3.774 6.033 -6.113 1.00 0.00 N ATOM 644 CA GLU A 40 2.503 6.526 -6.630 1.00 0.00 C ATOM 645 C GLU A 40 1.521 5.384 -6.859 1.00 0.00 C ATOM 646 O GLU A 40 0.317 5.539 -6.655 1.00 0.00 O ATOM 647 CB GLU A 40 2.719 7.303 -7.931 1.00 0.00 C ATOM 648 CG GLU A 40 3.421 8.641 -7.754 1.00 0.00 C ATOM 649 CD GLU A 40 3.691 9.295 -9.081 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.402 8.694 -10.087 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.084 10.438 -9.088 1.00 0.00 O ATOM 0 H GLU A 40 4.570 6.189 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 40 2.077 7.197 -5.884 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.303 6.687 -8.615 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.751 7.474 -8.403 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.806 9.299 -7.140 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.360 8.494 -7.221 1.00 0.00 H new ATOM 658 N GLY A 41 2.042 4.238 -7.285 1.00 0.00 N ATOM 659 CA GLY A 41 1.222 3.046 -7.468 1.00 0.00 C ATOM 660 C GLY A 41 0.572 2.618 -6.160 1.00 0.00 C ATOM 661 O GLY A 41 -0.631 2.358 -6.110 1.00 0.00 O ATOM 0 H GLY A 41 3.029 4.110 -7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.451 3.243 -8.213 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.838 2.234 -7.854 1.00 0.00 H new ATOM 665 N VAL A 42 1.372 2.545 -5.102 1.00 0.00 N ATOM 666 CA VAL A 42 0.891 2.076 -3.808 1.00 0.00 C ATOM 667 C VAL A 42 -0.251 2.944 -3.297 1.00 0.00 C ATOM 668 O VAL A 42 -1.235 2.437 -2.756 1.00 0.00 O ATOM 669 CB VAL A 42 2.019 2.059 -2.759 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.458 1.749 -1.380 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.085 1.043 -3.139 1.00 0.00 C ATOM 0 H VAL A 42 2.358 2.805 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 42 0.530 1.058 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 42 2.478 3.047 -2.731 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.268 1.741 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.729 2.511 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.974 0.773 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.874 1.045 -2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.638 0.050 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.508 1.305 -4.109 1.00 0.00 H new ATOM 681 N ASN A 43 -0.117 4.254 -3.472 1.00 0.00 N ATOM 682 CA ASN A 43 -1.155 5.192 -3.062 1.00 0.00 C ATOM 683 C ASN A 43 -2.367 5.108 -3.981 1.00 0.00 C ATOM 684 O ASN A 43 -3.508 5.125 -3.521 1.00 0.00 O ATOM 685 CB ASN A 43 -0.630 6.615 -3.016 1.00 0.00 C ATOM 686 CG ASN A 43 -1.614 7.606 -2.460 1.00 0.00 C ATOM 687 OD1 ASN A 43 -2.022 7.520 -1.296 1.00 0.00 O ATOM 688 ND2 ASN A 43 -2.060 8.496 -3.309 1.00 0.00 N ATOM 0 H ASN A 43 0.702 4.691 -3.896 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.464 4.910 -2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.277 6.639 -2.411 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.349 6.922 -4.024 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.778 9.161 -3.021 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.690 8.525 -4.259 1.00 0.00 H new ATOM 695 N ALA A 44 -2.112 5.016 -5.282 1.00 0.00 N ATOM 696 CA ALA A 44 -3.183 4.970 -6.270 1.00 0.00 C ATOM 697 C ALA A 44 -4.020 3.706 -6.118 1.00 0.00 C ATOM 698 O ALA A 44 -5.249 3.760 -6.130 1.00 0.00 O ATOM 699 CB ALA A 44 -2.608 5.063 -7.677 1.00 0.00 C ATOM 0 H ALA A 44 -1.172 4.972 -5.677 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.837 5.826 -6.100 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.419 5.027 -8.405 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.063 6.001 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.930 4.227 -7.849 1.00 0.00 H new ATOM 705 N LEU A 45 -3.346 2.571 -5.975 1.00 0.00 N ATOM 706 CA LEU A 45 -4.026 1.298 -5.769 1.00 0.00 C ATOM 707 C LEU A 45 -4.864 1.320 -4.498 1.00 0.00 C ATOM 708 O LEU A 45 -6.060 1.027 -4.526 1.00 0.00 O ATOM 709 CB LEU A 45 -3.004 0.154 -5.715 1.00 0.00 C ATOM 710 CG LEU A 45 -2.162 -0.031 -6.984 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.789 -0.583 -6.623 1.00 0.00 C ATOM 712 CD2 LEU A 45 -2.885 -0.966 -7.942 1.00 0.00 C ATOM 0 H LEU A 45 -2.328 2.506 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.698 1.134 -6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.332 0.328 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.534 -0.776 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.024 0.933 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.198 -0.711 -7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.281 0.113 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.903 -1.546 -6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.286 -1.097 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.035 -1.933 -7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.852 -0.538 -8.207 1.00 0.00 H new ATOM 724 N LYS A 46 -4.231 1.669 -3.384 1.00 0.00 N ATOM 725 CA LYS A 46 -4.906 1.686 -2.092 1.00 0.00 C ATOM 726 C LYS A 46 -6.074 2.664 -2.092 1.00 0.00 C ATOM 727 O LYS A 46 -7.097 2.426 -1.450 1.00 0.00 O ATOM 728 CB LYS A 46 -3.922 2.044 -0.977 1.00 0.00 C ATOM 729 CG LYS A 46 -4.372 1.627 0.417 1.00 0.00 C ATOM 730 CD LYS A 46 -3.675 2.448 1.491 1.00 0.00 C ATOM 731 CE LYS A 46 -4.205 3.875 1.529 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.515 4.697 2.559 1.00 0.00 N ATOM 0 H LYS A 46 -3.249 1.944 -3.350 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.299 0.686 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.962 1.574 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.758 3.122 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.451 1.750 0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.159 0.569 0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.821 1.978 2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.602 2.462 1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.075 4.336 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.275 3.859 1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.220 5.233 3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.982 4.075 3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.861 5.358 2.094 1.00 0.00 H new ATOM 746 N ASP A 47 -5.916 3.766 -2.818 1.00 0.00 N ATOM 747 CA ASP A 47 -6.890 4.850 -2.788 1.00 0.00 C ATOM 748 C ASP A 47 -8.307 4.323 -2.966 1.00 0.00 C ATOM 749 O ASP A 47 -9.240 4.784 -2.308 1.00 0.00 O ATOM 750 CB ASP A 47 -6.575 5.886 -3.870 1.00 0.00 C ATOM 751 CG ASP A 47 -7.331 7.199 -3.723 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.140 7.865 -2.734 1.00 0.00 O ATOM 753 OD2 ASP A 47 -7.971 7.601 -4.666 1.00 0.00 O ATOM 0 H ASP A 47 -5.121 3.932 -3.435 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.824 5.328 -1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.505 6.093 -3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.804 5.456 -4.845 1.00 0.00 H new ATOM 758 N GLU A 48 -8.464 3.351 -3.859 1.00 0.00 N ATOM 759 CA GLU A 48 -9.764 2.742 -4.109 1.00 0.00 C ATOM 760 C GLU A 48 -10.272 2.003 -2.877 1.00 0.00 C ATOM 761 O GLU A 48 -11.466 2.022 -2.579 1.00 0.00 O ATOM 762 CB GLU A 48 -9.689 1.786 -5.301 1.00 0.00 C ATOM 763 CG GLU A 48 -9.495 2.472 -6.646 1.00 0.00 C ATOM 764 CD GLU A 48 -9.319 1.468 -7.751 1.00 0.00 C ATOM 765 OE1 GLU A 48 -9.283 0.297 -7.463 1.00 0.00 O ATOM 766 OE2 GLU A 48 -9.335 1.863 -8.894 1.00 0.00 O ATOM 0 H GLU A 48 -7.705 2.968 -4.422 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.467 3.542 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.867 1.089 -5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.605 1.196 -5.336 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.356 3.105 -6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.623 3.124 -6.602 1.00 0.00 H new ATOM 773 N ILE A 49 -9.359 1.352 -2.166 1.00 0.00 N ATOM 774 CA ILE A 49 -9.717 0.579 -0.982 1.00 0.00 C ATOM 775 C ILE A 49 -9.979 1.490 0.211 1.00 0.00 C ATOM 776 O ILE A 49 -10.914 1.266 0.980 1.00 0.00 O ATOM 777 CB ILE A 49 -8.616 -0.431 -0.613 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.327 -1.361 -1.793 1.00 0.00 C ATOM 779 CG2 ILE A 49 -9.021 -1.233 0.615 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.508 -2.212 -2.203 1.00 0.00 C ATOM 0 H ILE A 49 -8.364 1.344 -2.389 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.629 0.034 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.705 0.119 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.009 -0.762 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.493 -2.014 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.232 -1.943 0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.178 -0.557 1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.944 -1.775 0.408 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.226 -2.844 -3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.813 -2.839 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.337 -1.567 -2.495 1.00 0.00 H new ATOM 792 N LEU A 50 -9.150 2.516 0.360 1.00 0.00 N ATOM 793 CA LEU A 50 -9.306 3.476 1.446 1.00 0.00 C ATOM 794 C LEU A 50 -10.618 4.240 1.322 1.00 0.00 C ATOM 795 O LEU A 50 -11.248 4.579 2.324 1.00 0.00 O ATOM 796 CB LEU A 50 -8.121 4.450 1.466 1.00 0.00 C ATOM 797 CG LEU A 50 -8.134 5.470 2.613 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.011 4.753 3.950 1.00 0.00 C ATOM 799 CD2 LEU A 50 -6.994 6.461 2.426 1.00 0.00 C ATOM 0 H LEU A 50 -8.361 2.705 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.327 2.924 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.198 3.873 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.100 4.991 0.520 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.078 6.015 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.021 5.485 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.848 4.066 4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.076 4.194 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.004 7.185 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.044 5.927 2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.117 6.982 1.476 1.00 0.00 H new ATOM 811 N LYS A 51 -11.025 4.510 0.085 1.00 0.00 N ATOM 812 CA LYS A 51 -12.262 5.237 -0.172 1.00 0.00 C ATOM 813 C LYS A 51 -13.408 4.283 -0.482 1.00 0.00 C ATOM 814 O LYS A 51 -14.446 4.691 -1.004 1.00 0.00 O ATOM 815 CB LYS A 51 -12.073 6.225 -1.324 1.00 0.00 C ATOM 816 CG LYS A 51 -11.107 7.363 -1.026 1.00 0.00 C ATOM 817 CD LYS A 51 -10.975 8.304 -2.214 1.00 0.00 C ATOM 818 CE LYS A 51 -10.038 9.461 -1.904 1.00 0.00 C ATOM 819 NZ LYS A 51 -9.847 10.354 -3.079 1.00 0.00 N ATOM 0 H LYS A 51 -10.515 4.236 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.516 5.792 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.715 5.681 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.043 6.648 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.455 7.920 -0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.129 6.955 -0.773 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.602 7.753 -3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.957 8.692 -2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.439 10.039 -1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.072 9.070 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.202 11.129 -2.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.441 9.810 -3.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.765 10.748 -3.368 1.00 0.00 H new ATOM 833 N ALA A 52 -13.213 3.008 -0.161 1.00 0.00 N ATOM 834 CA ALA A 52 -14.233 1.993 -0.398 1.00 0.00 C ATOM 835 C ALA A 52 -15.415 2.168 0.546 1.00 0.00 C ATOM 836 O ALA A 52 -16.253 2.995 0.312 1.00 0.00 O ATOM 837 CB ALA A 52 -13.638 0.600 -0.256 1.00 0.00 C ATOM 838 OXT ALA A 52 -15.508 1.480 1.524 1.00 0.00 O ATOM 0 H ALA A 52 -12.357 2.653 0.265 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.599 2.115 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.412 -0.146 -0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.835 0.472 -0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.241 0.475 0.751 1.00 0.00 H new TER 844 ALA A 52