USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 599 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= -0.188 (180deg=-2.11!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0584 USER MOD Single : A 39 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-1.3) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.179 K(o=-0.18,f=-0.87) USER MOD Single : A 58 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.177 K(o=-0.18,f=-0.73) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0647 USER MOD Single : A 85 SER OG : rot 51:sc= 0.405 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.207 -9.599 4.156 1.00 0.00 N ATOM 2 CA MET A 1 0.885 -9.406 3.491 1.00 0.00 C ATOM 3 C MET A 1 0.058 -8.338 4.211 1.00 0.00 C ATOM 4 O MET A 1 -1.113 -8.554 4.527 1.00 0.00 O ATOM 5 CB MET A 1 0.140 -10.752 3.473 1.00 0.00 C ATOM 6 CG MET A 1 -0.148 -11.320 4.855 1.00 0.00 C ATOM 7 SD MET A 1 0.084 -13.108 4.935 1.00 0.00 S ATOM 8 CE MET A 1 1.235 -13.243 6.301 1.00 0.00 C ATOM 0 H1 MET A 1 2.505 -10.590 4.054 1.00 0.00 H new ATOM 0 H2 MET A 1 2.913 -8.978 3.712 1.00 0.00 H new ATOM 0 H3 MET A 1 2.125 -9.364 5.166 1.00 0.00 H new ATOM 0 HA MET A 1 1.042 -9.060 2.469 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.802 -10.627 2.940 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.731 -11.475 2.911 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.505 -10.840 5.584 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.173 -11.078 5.137 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.475 -14.292 6.472 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.148 -12.696 6.063 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.784 -12.823 7.200 1.00 0.00 H new ATOM 20 N GLU A 2 0.677 -7.186 4.470 1.00 0.00 N ATOM 21 CA GLU A 2 0.001 -6.082 5.155 1.00 0.00 C ATOM 22 C GLU A 2 0.724 -4.758 4.914 1.00 0.00 C ATOM 23 O GLU A 2 1.881 -4.741 4.491 1.00 0.00 O ATOM 24 CB GLU A 2 -0.086 -6.362 6.661 1.00 0.00 C ATOM 25 CG GLU A 2 1.198 -6.929 7.255 1.00 0.00 C ATOM 26 CD GLU A 2 1.563 -6.306 8.589 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.459 -5.068 8.720 1.00 0.00 O ATOM 28 OE2 GLU A 2 1.956 -7.059 9.504 1.00 0.00 O ATOM 0 H GLU A 2 1.646 -6.992 4.216 1.00 0.00 H new ATOM 0 HA GLU A 2 -1.006 -6.002 4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.338 -5.437 7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.901 -7.062 6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 2 1.088 -8.006 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.016 -6.773 6.552 1.00 0.00 H new ATOM 35 N TRP A 3 0.036 -3.651 5.193 1.00 0.00 N ATOM 36 CA TRP A 3 0.615 -2.324 5.015 1.00 0.00 C ATOM 37 C TRP A 3 -0.066 -1.305 5.921 1.00 0.00 C ATOM 38 O TRP A 3 -1.044 -1.619 6.601 1.00 0.00 O ATOM 39 CB TRP A 3 0.519 -1.881 3.549 1.00 0.00 C ATOM 40 CG TRP A 3 -0.875 -1.849 2.991 1.00 0.00 C ATOM 41 CD1 TRP A 3 -2.014 -1.435 3.623 1.00 0.00 C ATOM 42 CD2 TRP A 3 -1.268 -2.239 1.671 1.00 0.00 C ATOM 43 NE1 TRP A 3 -3.091 -1.555 2.779 1.00 0.00 N ATOM 44 CE2 TRP A 3 -2.659 -2.045 1.575 1.00 0.00 C ATOM 45 CE3 TRP A 3 -0.578 -2.736 0.563 1.00 0.00 C ATOM 46 CZ2 TRP A 3 -3.370 -2.332 0.412 1.00 0.00 C ATOM 47 CZ3 TRP A 3 -1.285 -3.017 -0.591 1.00 0.00 C ATOM 48 CH2 TRP A 3 -2.669 -2.814 -0.658 1.00 0.00 C ATOM 0 H TRP A 3 -0.922 -3.649 5.543 1.00 0.00 H new ATOM 0 HA TRP A 3 1.668 -2.379 5.292 1.00 0.00 H new ATOM 0 HB2 TRP A 3 0.956 -0.887 3.455 1.00 0.00 H new ATOM 0 HB3 TRP A 3 1.124 -2.554 2.940 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.060 -1.067 4.637 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.056 -1.318 3.011 1.00 0.00 H new ATOM 0 HE3 TRP A 3 0.489 -2.898 0.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -4.438 -2.179 0.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -0.762 -3.399 -1.455 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -3.193 -3.043 -1.574 1.00 0.00 H new ATOM 59 N LYS A 4 0.457 -0.084 5.920 1.00 0.00 N ATOM 60 CA LYS A 4 -0.095 0.998 6.729 1.00 0.00 C ATOM 61 C LYS A 4 -0.143 2.289 5.917 1.00 0.00 C ATOM 62 O LYS A 4 0.643 2.469 4.987 1.00 0.00 O ATOM 63 CB LYS A 4 0.742 1.200 7.993 1.00 0.00 C ATOM 64 CG LYS A 4 0.858 -0.047 8.857 1.00 0.00 C ATOM 65 CD LYS A 4 1.387 0.284 10.242 1.00 0.00 C ATOM 66 CE LYS A 4 1.712 -0.975 11.032 1.00 0.00 C ATOM 67 NZ LYS A 4 0.604 -1.357 11.954 1.00 0.00 N ATOM 0 H LYS A 4 1.269 0.183 5.363 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.109 0.729 7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.742 1.527 7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.301 2.002 8.585 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.119 -0.523 8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.521 -0.765 8.375 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.282 0.900 10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.647 0.873 10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.909 -1.795 10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.624 -0.817 11.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.866 -2.219 12.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.433 -0.585 12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.261 -1.533 11.403 1.00 0.00 H new ATOM 81 N LEU A 5 -1.073 3.180 6.258 1.00 0.00 N ATOM 82 CA LEU A 5 -1.209 4.444 5.535 1.00 0.00 C ATOM 83 C LEU A 5 -1.536 5.600 6.482 1.00 0.00 C ATOM 84 O LEU A 5 -2.422 5.489 7.331 1.00 0.00 O ATOM 85 CB LEU A 5 -2.292 4.320 4.453 1.00 0.00 C ATOM 86 CG LEU A 5 -1.994 5.040 3.135 1.00 0.00 C ATOM 87 CD1 LEU A 5 -1.715 6.516 3.377 1.00 0.00 C ATOM 88 CD2 LEU A 5 -0.824 4.383 2.416 1.00 0.00 C ATOM 0 H LEU A 5 -1.737 3.053 7.022 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.252 4.663 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.450 3.262 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.228 4.708 4.855 1.00 0.00 H new ATOM 0 HG LEU A 5 -2.875 4.961 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.506 7.007 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.585 6.979 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.853 6.620 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.629 4.910 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.062 4.426 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.067 3.342 2.202 1.00 0.00 H new ATOM 100 N PHE A 6 -0.809 6.710 6.328 1.00 0.00 N ATOM 101 CA PHE A 6 -1.013 7.895 7.163 1.00 0.00 C ATOM 102 C PHE A 6 -2.193 8.731 6.656 1.00 0.00 C ATOM 103 O PHE A 6 -2.788 8.422 5.623 1.00 0.00 O ATOM 104 CB PHE A 6 0.261 8.750 7.193 1.00 0.00 C ATOM 105 CG PHE A 6 0.561 9.345 8.542 1.00 0.00 C ATOM 106 CD1 PHE A 6 0.888 8.530 9.615 1.00 0.00 C ATOM 107 CD2 PHE A 6 0.513 10.717 8.739 1.00 0.00 C ATOM 108 CE1 PHE A 6 1.161 9.070 10.857 1.00 0.00 C ATOM 109 CE2 PHE A 6 0.784 11.262 9.979 1.00 0.00 C ATOM 110 CZ PHE A 6 1.110 10.439 11.039 1.00 0.00 C ATOM 0 H PHE A 6 -0.072 6.812 5.630 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.242 7.559 8.174 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.106 8.137 6.880 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.164 9.555 6.464 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.930 7.460 9.478 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.261 11.366 7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.414 8.423 11.684 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.741 12.332 10.120 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.325 10.864 12.008 1.00 0.00 H new ATOM 120 N ALA A 7 -2.527 9.792 7.394 1.00 0.00 N ATOM 121 CA ALA A 7 -3.638 10.673 7.023 1.00 0.00 C ATOM 122 C ALA A 7 -3.332 11.505 5.772 1.00 0.00 C ATOM 123 O ALA A 7 -4.229 12.135 5.216 1.00 0.00 O ATOM 124 CB ALA A 7 -4.003 11.584 8.187 1.00 0.00 C ATOM 0 H ALA A 7 -2.045 10.062 8.251 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.488 10.034 6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.830 12.232 7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.300 10.979 9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.141 12.194 8.456 1.00 0.00 H new ATOM 130 N ASP A 8 -2.070 11.504 5.328 1.00 0.00 N ATOM 131 CA ASP A 8 -1.675 12.259 4.137 1.00 0.00 C ATOM 132 C ASP A 8 -2.590 11.936 2.959 1.00 0.00 C ATOM 133 O ASP A 8 -3.059 12.834 2.257 1.00 0.00 O ATOM 134 CB ASP A 8 -0.222 11.948 3.764 1.00 0.00 C ATOM 135 CG ASP A 8 0.768 12.855 4.468 1.00 0.00 C ATOM 136 OD1 ASP A 8 1.086 12.584 5.646 1.00 0.00 O ATOM 137 OD2 ASP A 8 1.224 13.834 3.843 1.00 0.00 O ATOM 0 H ASP A 8 -1.309 10.991 5.774 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.765 13.321 4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.001 10.911 4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.098 12.049 2.686 1.00 0.00 H new ATOM 142 N LEU A 9 -2.838 10.648 2.753 1.00 0.00 N ATOM 143 CA LEU A 9 -3.698 10.187 1.663 1.00 0.00 C ATOM 144 C LEU A 9 -4.988 9.573 2.202 1.00 0.00 C ATOM 145 O LEU A 9 -6.053 9.730 1.606 1.00 0.00 O ATOM 146 CB LEU A 9 -2.951 9.168 0.795 1.00 0.00 C ATOM 147 CG LEU A 9 -1.484 9.511 0.501 1.00 0.00 C ATOM 148 CD1 LEU A 9 -0.559 8.433 1.046 1.00 0.00 C ATOM 149 CD2 LEU A 9 -1.269 9.694 -0.995 1.00 0.00 C ATOM 0 H LEU A 9 -2.454 9.898 3.329 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.963 11.050 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.989 8.197 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.480 9.064 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.245 10.449 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.476 8.696 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.692 8.351 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.797 7.478 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.224 9.937 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.528 8.772 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.901 10.505 -1.357 1.00 0.00 H new ATOM 161 N ALA A 10 -4.887 8.879 3.339 1.00 0.00 N ATOM 162 CA ALA A 10 -6.048 8.244 3.963 1.00 0.00 C ATOM 163 C ALA A 10 -7.108 9.267 4.399 1.00 0.00 C ATOM 164 O ALA A 10 -8.221 8.888 4.762 1.00 0.00 O ATOM 165 CB ALA A 10 -5.613 7.399 5.152 1.00 0.00 C ATOM 0 H ALA A 10 -4.012 8.743 3.845 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.507 7.602 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.487 6.933 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.923 6.625 4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.117 8.033 5.887 1.00 0.00 H new ATOM 171 N GLU A 11 -6.766 10.561 4.364 1.00 0.00 N ATOM 172 CA GLU A 11 -7.705 11.613 4.755 1.00 0.00 C ATOM 173 C GLU A 11 -8.996 11.530 3.937 1.00 0.00 C ATOM 174 O GLU A 11 -10.089 11.715 4.474 1.00 0.00 O ATOM 175 CB GLU A 11 -7.072 12.999 4.582 1.00 0.00 C ATOM 176 CG GLU A 11 -6.924 13.768 5.886 1.00 0.00 C ATOM 177 CD GLU A 11 -8.257 14.229 6.447 1.00 0.00 C ATOM 178 OE1 GLU A 11 -8.920 13.426 7.136 1.00 0.00 O ATOM 179 OE2 GLU A 11 -8.636 15.392 6.196 1.00 0.00 O ATOM 0 H GLU A 11 -5.850 10.901 4.070 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.948 11.463 5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.090 12.886 4.123 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.681 13.584 3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.424 13.137 6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.284 14.635 5.722 1.00 0.00 H new ATOM 186 N VAL A 12 -8.862 11.256 2.640 1.00 0.00 N ATOM 187 CA VAL A 12 -10.021 11.152 1.757 1.00 0.00 C ATOM 188 C VAL A 12 -10.490 9.704 1.615 1.00 0.00 C ATOM 189 O VAL A 12 -11.687 9.427 1.686 1.00 0.00 O ATOM 190 CB VAL A 12 -9.733 11.732 0.356 1.00 0.00 C ATOM 191 CG1 VAL A 12 -11.033 11.960 -0.402 1.00 0.00 C ATOM 192 CG2 VAL A 12 -8.934 13.025 0.458 1.00 0.00 C ATOM 0 H VAL A 12 -7.965 11.103 2.179 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.812 11.740 2.222 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.134 11.009 -0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.812 12.369 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.561 11.013 -0.512 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.658 12.662 0.150 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.743 13.415 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.501 13.759 1.031 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.985 12.828 0.958 1.00 0.00 H new ATOM 202 N ALA A 13 -9.546 8.781 1.412 1.00 0.00 N ATOM 203 CA ALA A 13 -9.889 7.364 1.257 1.00 0.00 C ATOM 204 C ALA A 13 -10.483 6.783 2.538 1.00 0.00 C ATOM 205 O ALA A 13 -11.499 6.086 2.498 1.00 0.00 O ATOM 206 CB ALA A 13 -8.669 6.555 0.841 1.00 0.00 C ATOM 0 H ALA A 13 -8.549 8.986 1.352 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.644 7.301 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.947 5.507 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.290 6.931 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.894 6.647 1.602 1.00 0.00 H new ATOM 212 N GLY A 14 -9.837 7.063 3.669 1.00 0.00 N ATOM 213 CA GLY A 14 -10.307 6.547 4.946 1.00 0.00 C ATOM 214 C GLY A 14 -9.680 5.206 5.300 1.00 0.00 C ATOM 215 O GLY A 14 -10.123 4.539 6.237 1.00 0.00 O ATOM 0 H GLY A 14 -8.996 7.638 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.081 7.269 5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.391 6.440 4.914 1.00 0.00 H new ATOM 219 N SER A 15 -8.648 4.808 4.548 1.00 0.00 N ATOM 220 CA SER A 15 -7.965 3.540 4.784 1.00 0.00 C ATOM 221 C SER A 15 -6.509 3.772 5.177 1.00 0.00 C ATOM 222 O SER A 15 -5.782 4.503 4.501 1.00 0.00 O ATOM 223 CB SER A 15 -8.031 2.660 3.532 1.00 0.00 C ATOM 224 OG SER A 15 -9.345 2.630 2.995 1.00 0.00 O ATOM 0 H SER A 15 -8.270 5.350 3.771 1.00 0.00 H new ATOM 0 HA SER A 15 -8.470 3.032 5.606 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.337 3.038 2.781 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.713 1.647 3.779 1.00 0.00 H new ATOM 0 HG SER A 15 -9.359 2.063 2.196 1.00 0.00 H new ATOM 230 N ARG A 16 -6.092 3.138 6.272 1.00 0.00 N ATOM 231 CA ARG A 16 -4.726 3.263 6.764 1.00 0.00 C ATOM 232 C ARG A 16 -3.970 1.940 6.607 1.00 0.00 C ATOM 233 O ARG A 16 -3.277 1.733 5.610 1.00 0.00 O ATOM 234 CB ARG A 16 -4.714 3.724 8.232 1.00 0.00 C ATOM 235 CG ARG A 16 -5.985 3.402 9.006 1.00 0.00 C ATOM 236 CD ARG A 16 -5.793 3.591 10.503 1.00 0.00 C ATOM 237 NE ARG A 16 -6.780 4.508 11.073 1.00 0.00 N ATOM 238 CZ ARG A 16 -6.643 5.115 12.254 1.00 0.00 C ATOM 239 NH1 ARG A 16 -5.566 4.896 13.006 1.00 0.00 N ATOM 240 NH2 ARG A 16 -7.588 5.942 12.688 1.00 0.00 N ATOM 0 H ARG A 16 -6.686 2.530 6.836 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.218 4.020 6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.868 3.259 8.738 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.550 4.801 8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.795 4.043 8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.284 2.373 8.804 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.866 2.625 11.002 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.790 3.974 10.694 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.626 4.695 10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.838 4.260 12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.469 5.364 13.907 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.417 6.113 12.119 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.484 6.406 13.590 1.00 0.00 H new ATOM 254 N THR A 17 -4.099 1.049 7.591 1.00 0.00 N ATOM 255 CA THR A 17 -3.413 -0.238 7.548 1.00 0.00 C ATOM 256 C THR A 17 -4.369 -1.368 7.156 1.00 0.00 C ATOM 257 O THR A 17 -5.483 -1.456 7.677 1.00 0.00 O ATOM 258 CB THR A 17 -2.749 -0.536 8.903 1.00 0.00 C ATOM 259 OG1 THR A 17 -3.658 -1.157 9.800 1.00 0.00 O ATOM 260 CG2 THR A 17 -2.203 0.696 9.595 1.00 0.00 C ATOM 0 H THR A 17 -4.670 1.196 8.423 1.00 0.00 H new ATOM 0 HA THR A 17 -2.638 -0.180 6.783 1.00 0.00 H new ATOM 0 HB THR A 17 -1.919 -1.200 8.661 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.207 -1.335 10.651 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.750 0.409 10.544 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.451 1.166 8.961 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.015 1.400 9.779 1.00 0.00 H new ATOM 268 N VAL A 18 -3.923 -2.229 6.236 1.00 0.00 N ATOM 269 CA VAL A 18 -4.736 -3.355 5.770 1.00 0.00 C ATOM 270 C VAL A 18 -3.856 -4.555 5.406 1.00 0.00 C ATOM 271 O VAL A 18 -2.688 -4.392 5.051 1.00 0.00 O ATOM 272 CB VAL A 18 -5.585 -2.975 4.534 1.00 0.00 C ATOM 273 CG1 VAL A 18 -6.616 -4.053 4.233 1.00 0.00 C ATOM 274 CG2 VAL A 18 -6.262 -1.625 4.729 1.00 0.00 C ATOM 0 H VAL A 18 -3.003 -2.167 5.800 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.401 -3.619 6.593 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.913 -2.896 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.201 -3.763 3.360 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.108 -4.996 4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.279 -4.172 5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.852 -1.383 3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.915 -1.668 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.504 -0.856 4.881 1.00 0.00 H new ATOM 284 N ARG A 19 -4.433 -5.755 5.482 1.00 0.00 N ATOM 285 CA ARG A 19 -3.707 -6.981 5.149 1.00 0.00 C ATOM 286 C ARG A 19 -4.213 -7.565 3.828 1.00 0.00 C ATOM 287 O ARG A 19 -5.371 -7.367 3.457 1.00 0.00 O ATOM 288 CB ARG A 19 -3.851 -8.020 6.265 1.00 0.00 C ATOM 289 CG ARG A 19 -3.741 -7.443 7.669 1.00 0.00 C ATOM 290 CD ARG A 19 -4.153 -8.455 8.726 1.00 0.00 C ATOM 291 NE ARG A 19 -5.151 -7.912 9.648 1.00 0.00 N ATOM 292 CZ ARG A 19 -6.459 -7.855 9.384 1.00 0.00 C ATOM 293 NH1 ARG A 19 -6.933 -8.300 8.224 1.00 0.00 N ATOM 294 NH2 ARG A 19 -7.294 -7.348 10.285 1.00 0.00 N ATOM 0 H ARG A 19 -5.400 -5.904 5.771 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.652 -6.727 5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.816 -8.516 6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.084 -8.784 6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.715 -7.123 7.852 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.370 -6.557 7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.555 -9.344 8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.274 -8.770 9.288 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.828 -7.555 10.547 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.296 -8.688 7.528 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.933 -8.253 8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.935 -7.004 11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.293 -7.303 10.086 1.00 0.00 H new ATOM 308 N VAL A 20 -3.341 -8.286 3.126 1.00 0.00 N ATOM 309 CA VAL A 20 -3.701 -8.902 1.851 1.00 0.00 C ATOM 310 C VAL A 20 -3.973 -10.395 2.020 1.00 0.00 C ATOM 311 O VAL A 20 -3.099 -11.149 2.456 1.00 0.00 O ATOM 312 CB VAL A 20 -2.591 -8.706 0.793 1.00 0.00 C ATOM 313 CG1 VAL A 20 -3.060 -9.173 -0.578 1.00 0.00 C ATOM 314 CG2 VAL A 20 -2.143 -7.250 0.742 1.00 0.00 C ATOM 0 H VAL A 20 -2.379 -8.458 3.419 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.608 -8.406 1.506 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.736 -9.315 1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.262 -9.025 -1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.319 -10.231 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.936 -8.598 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.362 -7.136 -0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.992 -6.617 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.755 -6.954 1.717 1.00 0.00 H new ATOM 324 N ASP A 21 -5.191 -10.812 1.678 1.00 0.00 N ATOM 325 CA ASP A 21 -5.591 -12.213 1.792 1.00 0.00 C ATOM 326 C ASP A 21 -6.266 -12.706 0.512 1.00 0.00 C ATOM 327 O ASP A 21 -5.956 -13.787 0.012 1.00 0.00 O ATOM 328 CB ASP A 21 -6.532 -12.394 2.987 1.00 0.00 C ATOM 329 CG ASP A 21 -5.834 -12.987 4.199 1.00 0.00 C ATOM 330 OD1 ASP A 21 -5.176 -14.038 4.052 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.949 -12.398 5.296 1.00 0.00 O ATOM 0 H ASP A 21 -5.920 -10.196 1.318 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.692 -12.809 1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.961 -11.429 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.360 -13.041 2.697 1.00 0.00 H new ATOM 336 N VAL A 22 -7.196 -11.906 -0.008 1.00 0.00 N ATOM 337 CA VAL A 22 -7.923 -12.252 -1.222 1.00 0.00 C ATOM 338 C VAL A 22 -7.174 -11.792 -2.472 1.00 0.00 C ATOM 339 O VAL A 22 -6.891 -10.605 -2.635 1.00 0.00 O ATOM 340 CB VAL A 22 -9.332 -11.623 -1.231 1.00 0.00 C ATOM 341 CG1 VAL A 22 -10.281 -12.406 -0.336 1.00 0.00 C ATOM 342 CG2 VAL A 22 -9.275 -10.155 -0.813 1.00 0.00 C ATOM 0 H VAL A 22 -7.463 -11.009 0.398 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.010 -13.338 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.716 -11.669 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.268 -11.943 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.354 -13.433 -0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.903 -12.403 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.280 -9.733 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.864 -10.079 0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.641 -9.604 -1.507 1.00 0.00 H new ATOM 352 N ASP A 23 -6.865 -12.739 -3.355 1.00 0.00 N ATOM 353 CA ASP A 23 -6.157 -12.433 -4.597 1.00 0.00 C ATOM 354 C ASP A 23 -7.025 -12.746 -5.817 1.00 0.00 C ATOM 355 O ASP A 23 -7.578 -13.842 -5.934 1.00 0.00 O ATOM 356 CB ASP A 23 -4.832 -13.208 -4.688 1.00 0.00 C ATOM 357 CG ASP A 23 -4.900 -14.617 -4.115 1.00 0.00 C ATOM 358 OD1 ASP A 23 -5.979 -15.242 -4.170 1.00 0.00 O ATOM 359 OD2 ASP A 23 -3.864 -15.096 -3.615 1.00 0.00 O ATOM 0 H ASP A 23 -7.094 -13.726 -3.234 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.936 -11.366 -4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.527 -13.266 -5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.059 -12.649 -4.161 1.00 0.00 H new ATOM 364 N GLY A 24 -7.135 -11.773 -6.723 1.00 0.00 N ATOM 365 CA GLY A 24 -7.931 -11.954 -7.928 1.00 0.00 C ATOM 366 C GLY A 24 -7.612 -10.927 -8.999 1.00 0.00 C ATOM 367 O GLY A 24 -6.455 -10.773 -9.392 1.00 0.00 O ATOM 0 H GLY A 24 -6.686 -10.861 -6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.758 -12.954 -8.326 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.989 -11.891 -7.673 1.00 0.00 H new ATOM 371 N ASP A 25 -8.641 -10.224 -9.478 1.00 0.00 N ATOM 372 CA ASP A 25 -8.459 -9.207 -10.515 1.00 0.00 C ATOM 373 C ASP A 25 -7.505 -8.112 -10.051 1.00 0.00 C ATOM 374 O ASP A 25 -6.608 -7.709 -10.790 1.00 0.00 O ATOM 375 CB ASP A 25 -9.805 -8.594 -10.907 1.00 0.00 C ATOM 376 CG ASP A 25 -10.470 -9.332 -12.053 1.00 0.00 C ATOM 377 OD1 ASP A 25 -9.913 -9.320 -13.171 1.00 0.00 O ATOM 378 OD2 ASP A 25 -11.549 -9.921 -11.830 1.00 0.00 O ATOM 0 H ASP A 25 -9.605 -10.340 -9.166 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.023 -9.696 -11.387 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.468 -8.600 -10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.657 -7.551 -11.188 1.00 0.00 H new ATOM 383 N ALA A 26 -7.702 -7.635 -8.823 1.00 0.00 N ATOM 384 CA ALA A 26 -6.854 -6.588 -8.266 1.00 0.00 C ATOM 385 C ALA A 26 -5.486 -7.147 -7.875 1.00 0.00 C ATOM 386 O ALA A 26 -5.392 -8.079 -7.075 1.00 0.00 O ATOM 387 CB ALA A 26 -7.532 -5.935 -7.070 1.00 0.00 C ATOM 0 H ALA A 26 -8.440 -7.958 -8.198 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.700 -5.828 -9.032 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.886 -5.156 -6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.479 -5.495 -7.384 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.718 -6.686 -6.302 1.00 0.00 H new ATOM 393 N THR A 27 -4.428 -6.579 -8.454 1.00 0.00 N ATOM 394 CA THR A 27 -3.062 -7.027 -8.174 1.00 0.00 C ATOM 395 C THR A 27 -2.554 -6.464 -6.844 1.00 0.00 C ATOM 396 O THR A 27 -3.195 -5.602 -6.240 1.00 0.00 O ATOM 397 CB THR A 27 -2.122 -6.624 -9.317 1.00 0.00 C ATOM 398 OG1 THR A 27 -2.856 -6.226 -10.464 1.00 0.00 O ATOM 399 CG2 THR A 27 -1.193 -7.738 -9.742 1.00 0.00 C ATOM 0 H THR A 27 -4.490 -5.808 -9.119 1.00 0.00 H new ATOM 0 HA THR A 27 -3.076 -8.114 -8.095 1.00 0.00 H new ATOM 0 HB THR A 27 -1.530 -5.798 -8.922 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.235 -5.972 -11.178 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.554 -7.389 -10.554 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.574 -8.038 -8.896 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.780 -8.591 -10.083 1.00 0.00 H new ATOM 407 N VAL A 28 -1.393 -6.952 -6.396 1.00 0.00 N ATOM 408 CA VAL A 28 -0.801 -6.491 -5.143 1.00 0.00 C ATOM 409 C VAL A 28 -0.199 -5.107 -5.320 1.00 0.00 C ATOM 410 O VAL A 28 -0.280 -4.265 -4.423 1.00 0.00 O ATOM 411 CB VAL A 28 0.284 -7.457 -4.611 1.00 0.00 C ATOM 412 CG1 VAL A 28 -0.348 -8.725 -4.053 1.00 0.00 C ATOM 413 CG2 VAL A 28 1.301 -7.791 -5.697 1.00 0.00 C ATOM 0 H VAL A 28 -0.848 -7.664 -6.883 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.606 -6.457 -4.409 1.00 0.00 H new ATOM 0 HB VAL A 28 0.812 -6.955 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.434 -9.389 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.020 -8.467 -3.235 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.911 -9.228 -4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.052 -8.472 -5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.794 -8.265 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.785 -6.875 -6.036 1.00 0.00 H new ATOM 423 N GLY A 29 0.390 -4.871 -6.491 1.00 0.00 N ATOM 424 CA GLY A 29 0.976 -3.587 -6.773 1.00 0.00 C ATOM 425 C GLY A 29 -0.066 -2.568 -7.188 1.00 0.00 C ATOM 426 O GLY A 29 0.066 -1.383 -6.883 1.00 0.00 O ATOM 0 H GLY A 29 0.468 -5.553 -7.246 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.504 -3.227 -5.890 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.716 -3.692 -7.566 1.00 0.00 H new ATOM 430 N ASP A 30 -1.112 -3.039 -7.878 1.00 0.00 N ATOM 431 CA ASP A 30 -2.201 -2.174 -8.332 1.00 0.00 C ATOM 432 C ASP A 30 -2.741 -1.327 -7.177 1.00 0.00 C ATOM 433 O ASP A 30 -2.910 -0.115 -7.310 1.00 0.00 O ATOM 434 CB ASP A 30 -3.324 -3.021 -8.941 1.00 0.00 C ATOM 435 CG ASP A 30 -4.545 -2.200 -9.312 1.00 0.00 C ATOM 436 OD1 ASP A 30 -5.416 -2.000 -8.437 1.00 0.00 O ATOM 437 OD2 ASP A 30 -4.632 -1.762 -10.477 1.00 0.00 O ATOM 0 H ASP A 30 -1.225 -4.020 -8.134 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.811 -1.500 -9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.949 -3.528 -9.830 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.615 -3.795 -8.231 1.00 0.00 H new ATOM 442 N ALA A 31 -2.996 -1.978 -6.041 1.00 0.00 N ATOM 443 CA ALA A 31 -3.499 -1.286 -4.854 1.00 0.00 C ATOM 444 C ALA A 31 -2.358 -0.633 -4.081 1.00 0.00 C ATOM 445 O ALA A 31 -2.569 0.357 -3.377 1.00 0.00 O ATOM 446 CB ALA A 31 -4.268 -2.249 -3.959 1.00 0.00 C ATOM 0 H ALA A 31 -2.863 -2.982 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.180 -0.501 -5.183 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.634 -1.716 -3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.112 -2.663 -4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.609 -3.058 -3.644 1.00 0.00 H new ATOM 452 N LEU A 32 -1.148 -1.179 -4.224 1.00 0.00 N ATOM 453 CA LEU A 32 0.020 -0.631 -3.547 1.00 0.00 C ATOM 454 C LEU A 32 0.295 0.787 -4.039 1.00 0.00 C ATOM 455 O LEU A 32 0.272 1.734 -3.258 1.00 0.00 O ATOM 456 CB LEU A 32 1.252 -1.508 -3.790 1.00 0.00 C ATOM 457 CG LEU A 32 2.555 -0.967 -3.188 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.938 -1.753 -1.946 1.00 0.00 C ATOM 459 CD2 LEU A 32 3.679 -1.004 -4.214 1.00 0.00 C ATOM 0 H LEU A 32 -0.956 -1.998 -4.802 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.187 -0.609 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.062 -2.499 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.388 -1.630 -4.865 1.00 0.00 H new ATOM 0 HG LEU A 32 2.391 0.071 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.865 -1.354 -1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.145 -1.669 -1.203 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.080 -2.801 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.594 -0.616 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.842 -2.032 -4.539 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.408 -0.391 -5.073 1.00 0.00 H new ATOM 471 N ASP A 33 0.546 0.923 -5.344 1.00 0.00 N ATOM 472 CA ASP A 33 0.820 2.225 -5.948 1.00 0.00 C ATOM 473 C ASP A 33 -0.336 3.198 -5.707 1.00 0.00 C ATOM 474 O ASP A 33 -0.115 4.390 -5.491 1.00 0.00 O ATOM 475 CB ASP A 33 1.102 2.068 -7.446 1.00 0.00 C ATOM 476 CG ASP A 33 -0.158 1.946 -8.286 1.00 0.00 C ATOM 477 OD1 ASP A 33 -0.756 2.991 -8.616 1.00 0.00 O ATOM 478 OD2 ASP A 33 -0.541 0.808 -8.617 1.00 0.00 O ATOM 0 H ASP A 33 0.565 0.144 -6.002 1.00 0.00 H new ATOM 0 HA ASP A 33 1.707 2.643 -5.473 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.679 2.926 -7.792 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.721 1.184 -7.601 1.00 0.00 H new ATOM 483 N ALA A 34 -1.567 2.682 -5.734 1.00 0.00 N ATOM 484 CA ALA A 34 -2.748 3.512 -5.501 1.00 0.00 C ATOM 485 C ALA A 34 -2.714 4.095 -4.094 1.00 0.00 C ATOM 486 O ALA A 34 -2.840 5.306 -3.911 1.00 0.00 O ATOM 487 CB ALA A 34 -4.029 2.716 -5.711 1.00 0.00 C ATOM 0 H ALA A 34 -1.770 1.699 -5.914 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.735 4.328 -6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.891 3.359 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.062 2.343 -6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.053 1.875 -5.018 1.00 0.00 H new ATOM 493 N LEU A 35 -2.532 3.222 -3.105 1.00 0.00 N ATOM 494 CA LEU A 35 -2.467 3.642 -1.711 1.00 0.00 C ATOM 495 C LEU A 35 -1.193 4.441 -1.439 1.00 0.00 C ATOM 496 O LEU A 35 -1.196 5.361 -0.620 1.00 0.00 O ATOM 497 CB LEU A 35 -2.530 2.423 -0.783 1.00 0.00 C ATOM 498 CG LEU A 35 -3.930 2.059 -0.274 1.00 0.00 C ATOM 499 CD1 LEU A 35 -4.940 2.061 -1.416 1.00 0.00 C ATOM 500 CD2 LEU A 35 -3.908 0.702 0.412 1.00 0.00 C ATOM 0 H LEU A 35 -2.427 2.217 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.325 4.285 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.118 1.563 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.885 2.607 0.076 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.235 2.812 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.926 1.800 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.978 3.053 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.640 1.332 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.909 0.458 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.579 -0.058 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.220 0.733 1.257 1.00 0.00 H new ATOM 512 N VAL A 36 -0.108 4.090 -2.137 1.00 0.00 N ATOM 513 CA VAL A 36 1.168 4.785 -1.967 1.00 0.00 C ATOM 514 C VAL A 36 1.001 6.286 -2.204 1.00 0.00 C ATOM 515 O VAL A 36 1.413 7.101 -1.377 1.00 0.00 O ATOM 516 CB VAL A 36 2.261 4.236 -2.921 1.00 0.00 C ATOM 517 CG1 VAL A 36 3.467 5.167 -2.960 1.00 0.00 C ATOM 518 CG2 VAL A 36 2.686 2.835 -2.502 1.00 0.00 C ATOM 0 H VAL A 36 -0.089 3.333 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 36 1.489 4.608 -0.940 1.00 0.00 H new ATOM 0 HB VAL A 36 1.837 4.184 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.219 4.760 -3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.156 6.150 -3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.889 5.257 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.453 2.468 -3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.085 2.864 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.824 2.169 -2.533 1.00 0.00 H new ATOM 528 N GLY A 37 0.394 6.642 -3.335 1.00 0.00 N ATOM 529 CA GLY A 37 0.183 8.043 -3.656 1.00 0.00 C ATOM 530 C GLY A 37 -0.150 8.271 -5.116 1.00 0.00 C ATOM 531 O GLY A 37 0.451 9.126 -5.767 1.00 0.00 O ATOM 0 H GLY A 37 0.045 5.985 -4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.626 8.434 -3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.080 8.608 -3.401 1.00 0.00 H new ATOM 535 N ALA A 38 -1.113 7.514 -5.627 1.00 0.00 N ATOM 536 CA ALA A 38 -1.531 7.647 -7.019 1.00 0.00 C ATOM 537 C ALA A 38 -2.517 8.805 -7.176 1.00 0.00 C ATOM 538 O ALA A 38 -2.233 9.775 -7.880 1.00 0.00 O ATOM 539 CB ALA A 38 -2.144 6.346 -7.520 1.00 0.00 C ATOM 0 H ALA A 38 -1.619 6.802 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.650 7.865 -7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.450 6.464 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.408 5.545 -7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.014 6.096 -6.912 1.00 0.00 H new ATOM 545 N HIS A 39 -3.665 8.696 -6.500 1.00 0.00 N ATOM 546 CA HIS A 39 -4.707 9.729 -6.532 1.00 0.00 C ATOM 547 C HIS A 39 -5.980 9.234 -5.856 1.00 0.00 C ATOM 548 O HIS A 39 -6.431 9.834 -4.884 1.00 0.00 O ATOM 549 CB HIS A 39 -5.029 10.162 -7.961 1.00 0.00 C ATOM 550 CG HIS A 39 -4.414 11.473 -8.356 1.00 0.00 C ATOM 551 ND1 HIS A 39 -4.269 12.537 -7.485 1.00 0.00 N ATOM 552 CD2 HIS A 39 -3.905 11.891 -9.540 1.00 0.00 C ATOM 553 CE1 HIS A 39 -3.701 13.548 -8.118 1.00 0.00 C ATOM 554 NE2 HIS A 39 -3.470 13.181 -9.365 1.00 0.00 N ATOM 0 H HIS A 39 -3.898 7.892 -5.917 1.00 0.00 H new ATOM 0 HA HIS A 39 -4.319 10.590 -5.989 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -4.686 9.390 -8.649 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.111 10.232 -8.073 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.851 11.316 -10.452 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.466 14.511 -7.689 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.038 13.763 -10.083 1.00 0.00 H new ATOM 563 N PRO A 40 -6.575 8.122 -6.345 1.00 0.00 N ATOM 564 CA PRO A 40 -7.793 7.560 -5.749 1.00 0.00 C ATOM 565 C PRO A 40 -7.657 7.378 -4.240 1.00 0.00 C ATOM 566 O PRO A 40 -8.642 7.459 -3.508 1.00 0.00 O ATOM 567 CB PRO A 40 -7.935 6.205 -6.429 1.00 0.00 C ATOM 568 CG PRO A 40 -7.231 6.351 -7.732 1.00 0.00 C ATOM 569 CD PRO A 40 -6.105 7.321 -7.493 1.00 0.00 C ATOM 0 HA PRO A 40 -8.654 8.213 -5.891 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.490 5.413 -5.827 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.983 5.944 -6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.850 5.390 -8.079 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.908 6.722 -8.501 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.172 6.805 -7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.920 7.944 -8.368 1.00 0.00 H new ATOM 577 N ALA A 41 -6.421 7.148 -3.783 1.00 0.00 N ATOM 578 CA ALA A 41 -6.151 6.976 -2.360 1.00 0.00 C ATOM 579 C ALA A 41 -6.515 8.241 -1.591 1.00 0.00 C ATOM 580 O ALA A 41 -6.829 8.183 -0.404 1.00 0.00 O ATOM 581 CB ALA A 41 -4.689 6.619 -2.129 1.00 0.00 C ATOM 0 H ALA A 41 -5.597 7.078 -4.380 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.768 6.156 -1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.509 6.495 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.455 5.689 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.054 7.417 -2.514 1.00 0.00 H new ATOM 587 N LEU A 42 -6.478 9.385 -2.274 1.00 0.00 N ATOM 588 CA LEU A 42 -6.815 10.658 -1.650 1.00 0.00 C ATOM 589 C LEU A 42 -7.629 11.532 -2.606 1.00 0.00 C ATOM 590 O LEU A 42 -7.591 12.762 -2.522 1.00 0.00 O ATOM 591 CB LEU A 42 -5.541 11.387 -1.206 1.00 0.00 C ATOM 592 CG LEU A 42 -4.561 11.753 -2.328 1.00 0.00 C ATOM 593 CD1 LEU A 42 -3.541 12.763 -1.829 1.00 0.00 C ATOM 594 CD2 LEU A 42 -3.864 10.507 -2.863 1.00 0.00 C ATOM 0 H LEU A 42 -6.218 9.453 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.426 10.458 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.829 12.301 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.019 10.761 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.125 12.204 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.852 13.013 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.055 13.665 -1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.984 12.336 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.174 10.789 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.311 10.025 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.608 9.815 -3.258 1.00 0.00 H new ATOM 606 N GLU A 43 -8.366 10.884 -3.518 1.00 0.00 N ATOM 607 CA GLU A 43 -9.188 11.590 -4.499 1.00 0.00 C ATOM 608 C GLU A 43 -8.323 12.410 -5.458 1.00 0.00 C ATOM 609 O GLU A 43 -7.139 12.640 -5.205 1.00 0.00 O ATOM 610 CB GLU A 43 -10.205 12.495 -3.796 1.00 0.00 C ATOM 611 CG GLU A 43 -11.627 12.316 -4.302 1.00 0.00 C ATOM 612 CD GLU A 43 -12.655 12.962 -3.394 1.00 0.00 C ATOM 613 OE1 GLU A 43 -12.603 14.199 -3.223 1.00 0.00 O ATOM 614 OE2 GLU A 43 -13.512 12.232 -2.853 1.00 0.00 O ATOM 0 H GLU A 43 -8.407 9.868 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.726 10.843 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.181 12.293 -2.725 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.908 13.535 -3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.710 12.744 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.845 11.252 -4.392 1.00 0.00 H new ATOM 621 N SER A 44 -8.925 12.850 -6.560 1.00 0.00 N ATOM 622 CA SER A 44 -8.210 13.647 -7.551 1.00 0.00 C ATOM 623 C SER A 44 -7.893 15.034 -6.997 1.00 0.00 C ATOM 624 O SER A 44 -6.793 15.554 -7.194 1.00 0.00 O ATOM 625 CB SER A 44 -9.033 13.767 -8.838 1.00 0.00 C ATOM 626 OG SER A 44 -10.280 14.400 -8.595 1.00 0.00 O ATOM 0 H SER A 44 -9.902 12.669 -6.788 1.00 0.00 H new ATOM 0 HA SER A 44 -7.272 13.143 -7.783 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.472 14.336 -9.579 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.202 12.776 -9.258 1.00 0.00 H new ATOM 0 HG SER A 44 -10.783 14.465 -9.434 1.00 0.00 H new ATOM 632 N ARG A 45 -8.862 15.625 -6.298 1.00 0.00 N ATOM 633 CA ARG A 45 -8.691 16.948 -5.710 1.00 0.00 C ATOM 634 C ARG A 45 -9.672 17.159 -4.560 1.00 0.00 C ATOM 635 O ARG A 45 -10.874 16.938 -4.711 1.00 0.00 O ATOM 636 CB ARG A 45 -8.883 18.036 -6.771 1.00 0.00 C ATOM 637 CG ARG A 45 -10.137 17.860 -7.617 1.00 0.00 C ATOM 638 CD ARG A 45 -9.896 18.259 -9.065 1.00 0.00 C ATOM 639 NE ARG A 45 -10.855 19.263 -9.526 1.00 0.00 N ATOM 640 CZ ARG A 45 -12.108 18.982 -9.898 1.00 0.00 C ATOM 641 NH1 ARG A 45 -12.558 17.729 -9.867 1.00 0.00 N ATOM 642 NH2 ARG A 45 -12.913 19.960 -10.301 1.00 0.00 N ATOM 0 H ARG A 45 -9.775 15.205 -6.126 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.676 17.016 -5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.923 19.007 -6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.013 18.047 -7.427 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.462 16.821 -7.575 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.944 18.464 -7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.884 18.650 -9.169 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.963 17.376 -9.700 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.549 20.235 -9.566 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.945 16.975 -9.558 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.515 17.524 -10.153 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.574 20.922 -10.326 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.869 19.749 -10.585 1.00 0.00 H new ATOM 656 N VAL A 46 -9.150 17.588 -3.410 1.00 0.00 N ATOM 657 CA VAL A 46 -9.983 17.828 -2.235 1.00 0.00 C ATOM 658 C VAL A 46 -10.554 19.245 -2.249 1.00 0.00 C ATOM 659 O VAL A 46 -11.702 19.464 -1.860 1.00 0.00 O ATOM 660 CB VAL A 46 -9.197 17.603 -0.924 1.00 0.00 C ATOM 661 CG1 VAL A 46 -10.132 17.662 0.277 1.00 0.00 C ATOM 662 CG2 VAL A 46 -8.455 16.274 -0.962 1.00 0.00 C ATOM 0 H VAL A 46 -8.157 17.775 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.803 17.111 -2.275 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.461 18.401 -0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.561 17.501 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.612 18.640 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.893 16.887 0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.908 16.136 -0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.170 15.461 -1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.754 16.272 -1.797 1.00 0.00 H new ATOM 672 N PHE A 47 -9.748 20.206 -2.703 1.00 0.00 N ATOM 673 CA PHE A 47 -10.175 21.603 -2.769 1.00 0.00 C ATOM 674 C PHE A 47 -9.406 22.367 -3.852 1.00 0.00 C ATOM 675 O PHE A 47 -9.094 23.549 -3.687 1.00 0.00 O ATOM 676 CB PHE A 47 -9.981 22.285 -1.408 1.00 0.00 C ATOM 677 CG PHE A 47 -8.617 22.059 -0.810 1.00 0.00 C ATOM 678 CD1 PHE A 47 -8.346 20.908 -0.087 1.00 0.00 C ATOM 679 CD2 PHE A 47 -7.609 22.995 -0.976 1.00 0.00 C ATOM 680 CE1 PHE A 47 -7.095 20.695 0.458 1.00 0.00 C ATOM 681 CE2 PHE A 47 -6.355 22.786 -0.432 1.00 0.00 C ATOM 682 CZ PHE A 47 -6.098 21.636 0.286 1.00 0.00 C ATOM 0 H PHE A 47 -8.796 20.042 -3.030 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.234 21.617 -3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.146 23.356 -1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.738 21.917 -0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.122 20.169 0.052 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.805 23.897 -1.536 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.896 19.793 1.018 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.577 23.523 -0.569 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.120 21.472 0.713 1.00 0.00 H new ATOM 692 N GLY A 48 -9.101 21.687 -4.959 1.00 0.00 N ATOM 693 CA GLY A 48 -8.370 22.320 -6.044 1.00 0.00 C ATOM 694 C GLY A 48 -6.875 22.361 -5.782 1.00 0.00 C ATOM 695 O GLY A 48 -6.389 23.245 -5.075 1.00 0.00 O ATOM 0 H GLY A 48 -9.348 20.711 -5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.560 21.780 -6.971 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.740 23.335 -6.185 1.00 0.00 H new ATOM 699 N ASP A 49 -6.149 21.398 -6.350 1.00 0.00 N ATOM 700 CA ASP A 49 -4.698 21.315 -6.171 1.00 0.00 C ATOM 701 C ASP A 49 -3.996 22.560 -6.717 1.00 0.00 C ATOM 702 O ASP A 49 -4.400 23.115 -7.740 1.00 0.00 O ATOM 703 CB ASP A 49 -4.138 20.057 -6.851 1.00 0.00 C ATOM 704 CG ASP A 49 -4.599 19.909 -8.290 1.00 0.00 C ATOM 705 OD1 ASP A 49 -5.670 19.304 -8.511 1.00 0.00 O ATOM 706 OD2 ASP A 49 -3.889 20.398 -9.194 1.00 0.00 O ATOM 0 H ASP A 49 -6.542 20.663 -6.939 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.504 21.255 -5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.049 20.090 -6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.443 19.177 -6.285 1.00 0.00 H new ATOM 711 N ASP A 50 -2.945 22.988 -6.020 1.00 0.00 N ATOM 712 CA ASP A 50 -2.175 24.166 -6.421 1.00 0.00 C ATOM 713 C ASP A 50 -1.359 23.902 -7.690 1.00 0.00 C ATOM 714 O ASP A 50 -1.090 24.823 -8.463 1.00 0.00 O ATOM 715 CB ASP A 50 -1.241 24.594 -5.286 1.00 0.00 C ATOM 716 CG ASP A 50 -1.939 25.460 -4.254 1.00 0.00 C ATOM 717 OD1 ASP A 50 -2.556 24.897 -3.325 1.00 0.00 O ATOM 718 OD2 ASP A 50 -1.867 26.701 -4.374 1.00 0.00 O ATOM 0 H ASP A 50 -2.605 22.535 -5.171 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.883 24.967 -6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.837 23.707 -4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.395 25.141 -5.703 1.00 0.00 H new ATOM 723 N GLY A 51 -0.968 22.641 -7.899 1.00 0.00 N ATOM 724 CA GLY A 51 -0.190 22.285 -9.075 1.00 0.00 C ATOM 725 C GLY A 51 1.271 22.022 -8.756 1.00 0.00 C ATOM 726 O GLY A 51 2.154 22.730 -9.243 1.00 0.00 O ATOM 0 H GLY A 51 -1.177 21.863 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.622 21.397 -9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.258 23.089 -9.807 1.00 0.00 H new ATOM 730 N GLU A 52 1.524 21.000 -7.940 1.00 0.00 N ATOM 731 CA GLU A 52 2.886 20.637 -7.557 1.00 0.00 C ATOM 732 C GLU A 52 3.173 19.177 -7.902 1.00 0.00 C ATOM 733 O GLU A 52 2.520 18.270 -7.382 1.00 0.00 O ATOM 734 CB GLU A 52 3.100 20.876 -6.059 1.00 0.00 C ATOM 735 CG GLU A 52 4.552 20.741 -5.617 1.00 0.00 C ATOM 736 CD GLU A 52 5.462 21.760 -6.275 1.00 0.00 C ATOM 737 OE1 GLU A 52 5.967 21.477 -7.382 1.00 0.00 O ATOM 738 OE2 GLU A 52 5.669 22.840 -5.683 1.00 0.00 O ATOM 0 H GLU A 52 0.801 20.408 -7.531 1.00 0.00 H new ATOM 0 HA GLU A 52 3.577 21.267 -8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.744 21.874 -5.805 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.491 20.168 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.610 20.854 -4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.907 19.738 -5.852 1.00 0.00 H new ATOM 745 N LEU A 53 4.152 18.958 -8.779 1.00 0.00 N ATOM 746 CA LEU A 53 4.525 17.605 -9.189 1.00 0.00 C ATOM 747 C LEU A 53 5.635 17.057 -8.290 1.00 0.00 C ATOM 748 O LEU A 53 6.811 17.061 -8.663 1.00 0.00 O ATOM 749 CB LEU A 53 4.972 17.596 -10.658 1.00 0.00 C ATOM 750 CG LEU A 53 4.661 16.307 -11.426 1.00 0.00 C ATOM 751 CD1 LEU A 53 4.095 16.626 -12.803 1.00 0.00 C ATOM 752 CD2 LEU A 53 5.908 15.440 -11.548 1.00 0.00 C ATOM 0 H LEU A 53 4.700 19.698 -9.218 1.00 0.00 H new ATOM 0 HA LEU A 53 3.651 16.961 -9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.494 18.430 -11.172 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.047 17.772 -10.695 1.00 0.00 H new ATOM 0 HG LEU A 53 3.909 15.750 -10.867 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.881 15.698 -13.332 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.176 17.202 -12.694 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.822 17.207 -13.370 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.666 14.530 -12.096 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.683 15.990 -12.082 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.269 15.179 -10.553 1.00 0.00 H new ATOM 764 N TYR A 54 5.253 16.592 -7.099 1.00 0.00 N ATOM 765 CA TYR A 54 6.212 16.046 -6.141 1.00 0.00 C ATOM 766 C TYR A 54 5.584 14.938 -5.296 1.00 0.00 C ATOM 767 O TYR A 54 4.473 15.090 -4.788 1.00 0.00 O ATOM 768 CB TYR A 54 6.736 17.159 -5.227 1.00 0.00 C ATOM 769 CG TYR A 54 8.147 17.602 -5.550 1.00 0.00 C ATOM 770 CD1 TYR A 54 9.192 16.687 -5.602 1.00 0.00 C ATOM 771 CD2 TYR A 54 8.433 18.938 -5.797 1.00 0.00 C ATOM 772 CE1 TYR A 54 10.480 17.091 -5.894 1.00 0.00 C ATOM 773 CE2 TYR A 54 9.718 19.350 -6.089 1.00 0.00 C ATOM 774 CZ TYR A 54 10.738 18.422 -6.136 1.00 0.00 C ATOM 775 OH TYR A 54 12.022 18.830 -6.425 1.00 0.00 O ATOM 0 H TYR A 54 4.285 16.583 -6.776 1.00 0.00 H new ATOM 0 HA TYR A 54 7.041 15.618 -6.705 1.00 0.00 H new ATOM 0 HB2 TYR A 54 6.070 18.019 -5.299 1.00 0.00 H new ATOM 0 HB3 TYR A 54 6.701 16.814 -4.194 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.993 15.643 -5.411 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.637 19.667 -5.760 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.281 16.367 -5.932 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.924 20.393 -6.280 1.00 0.00 H new ATOM 0 HH TYR A 54 12.032 19.799 -6.571 1.00 0.00 H new ATOM 785 N ASP A 55 6.310 13.827 -5.144 1.00 0.00 N ATOM 786 CA ASP A 55 5.830 12.692 -4.357 1.00 0.00 C ATOM 787 C ASP A 55 6.963 12.083 -3.532 1.00 0.00 C ATOM 788 O ASP A 55 7.964 11.618 -4.083 1.00 0.00 O ATOM 789 CB ASP A 55 5.218 11.628 -5.274 1.00 0.00 C ATOM 790 CG ASP A 55 3.735 11.425 -5.022 1.00 0.00 C ATOM 791 OD1 ASP A 55 2.990 12.428 -5.016 1.00 0.00 O ATOM 792 OD2 ASP A 55 3.318 10.264 -4.833 1.00 0.00 O ATOM 0 H ASP A 55 7.233 13.691 -5.557 1.00 0.00 H new ATOM 0 HA ASP A 55 5.062 13.055 -3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.370 11.918 -6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.741 10.683 -5.127 1.00 0.00 H new ATOM 797 N HIS A 56 6.804 12.093 -2.208 1.00 0.00 N ATOM 798 CA HIS A 56 7.816 11.545 -1.305 1.00 0.00 C ATOM 799 C HIS A 56 7.169 10.849 -0.107 1.00 0.00 C ATOM 800 O HIS A 56 6.254 11.391 0.515 1.00 0.00 O ATOM 801 CB HIS A 56 8.760 12.654 -0.826 1.00 0.00 C ATOM 802 CG HIS A 56 8.057 13.842 -0.239 1.00 0.00 C ATOM 803 ND1 HIS A 56 7.315 14.730 -0.992 1.00 0.00 N ATOM 804 CD2 HIS A 56 7.987 14.284 1.038 1.00 0.00 C ATOM 805 CE1 HIS A 56 6.823 15.668 -0.203 1.00 0.00 C ATOM 806 NE2 HIS A 56 7.214 15.419 1.033 1.00 0.00 N ATOM 0 H HIS A 56 5.984 12.475 -1.737 1.00 0.00 H new ATOM 0 HA HIS A 56 8.392 10.803 -1.858 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.439 12.242 -0.080 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.371 12.985 -1.666 1.00 0.00 H new ATOM 0 HD2 HIS A 56 8.452 13.829 1.900 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.206 16.497 -0.516 1.00 0.00 H new ATOM 0 HE2 HIS A 56 6.980 15.979 1.852 1.00 0.00 H new ATOM 815 N ILE A 57 7.649 9.644 0.205 1.00 0.00 N ATOM 816 CA ILE A 57 7.118 8.869 1.323 1.00 0.00 C ATOM 817 C ILE A 57 7.998 7.654 1.615 1.00 0.00 C ATOM 818 O ILE A 57 8.586 7.069 0.702 1.00 0.00 O ATOM 819 CB ILE A 57 5.673 8.397 1.037 1.00 0.00 C ATOM 820 CG1 ILE A 57 5.094 7.659 2.247 1.00 0.00 C ATOM 821 CG2 ILE A 57 5.633 7.511 -0.203 1.00 0.00 C ATOM 822 CD1 ILE A 57 3.611 7.382 2.131 1.00 0.00 C ATOM 0 H ILE A 57 8.405 9.185 -0.303 1.00 0.00 H new ATOM 0 HA ILE A 57 7.112 9.523 2.195 1.00 0.00 H new ATOM 0 HB ILE A 57 5.058 9.277 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.623 6.715 2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.276 8.250 3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.608 7.189 -0.387 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.997 8.072 -1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.265 6.637 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.268 6.857 3.023 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.071 8.324 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.424 6.765 1.252 1.00 0.00 H new ATOM 834 N ASN A 58 8.083 7.276 2.889 1.00 0.00 N ATOM 835 CA ASN A 58 8.888 6.129 3.295 1.00 0.00 C ATOM 836 C ASN A 58 8.020 4.881 3.446 1.00 0.00 C ATOM 837 O ASN A 58 6.812 4.976 3.678 1.00 0.00 O ATOM 838 CB ASN A 58 9.619 6.423 4.609 1.00 0.00 C ATOM 839 CG ASN A 58 11.123 6.262 4.481 1.00 0.00 C ATOM 840 OD1 ASN A 58 11.657 5.165 4.650 1.00 0.00 O ATOM 841 ND2 ASN A 58 11.815 7.355 4.184 1.00 0.00 N ATOM 0 H ASN A 58 7.604 7.748 3.656 1.00 0.00 H new ATOM 0 HA ASN A 58 9.627 5.944 2.515 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.391 7.440 4.929 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.249 5.753 5.385 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.829 7.306 4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.333 8.244 4.052 1.00 0.00 H new ATOM 848 N VAL A 59 8.640 3.711 3.308 1.00 0.00 N ATOM 849 CA VAL A 59 7.920 2.445 3.423 1.00 0.00 C ATOM 850 C VAL A 59 8.750 1.397 4.170 1.00 0.00 C ATOM 851 O VAL A 59 9.981 1.398 4.100 1.00 0.00 O ATOM 852 CB VAL A 59 7.533 1.899 2.031 1.00 0.00 C ATOM 853 CG1 VAL A 59 8.772 1.617 1.193 1.00 0.00 C ATOM 854 CG2 VAL A 59 6.667 0.651 2.157 1.00 0.00 C ATOM 0 H VAL A 59 9.637 3.613 3.117 1.00 0.00 H new ATOM 0 HA VAL A 59 7.012 2.643 3.993 1.00 0.00 H new ATOM 0 HB VAL A 59 6.949 2.665 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.472 1.234 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.340 2.538 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.393 0.877 1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.408 0.286 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.217 -0.121 2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.756 0.894 2.703 1.00 0.00 H new ATOM 864 N LEU A 60 8.062 0.504 4.880 1.00 0.00 N ATOM 865 CA LEU A 60 8.718 -0.557 5.638 1.00 0.00 C ATOM 866 C LEU A 60 8.412 -1.923 5.034 1.00 0.00 C ATOM 867 O LEU A 60 7.249 -2.304 4.897 1.00 0.00 O ATOM 868 CB LEU A 60 8.273 -0.520 7.103 1.00 0.00 C ATOM 869 CG LEU A 60 9.343 -0.920 8.124 1.00 0.00 C ATOM 870 CD1 LEU A 60 9.747 -2.378 7.941 1.00 0.00 C ATOM 871 CD2 LEU A 60 10.558 -0.009 8.009 1.00 0.00 C ATOM 0 H LEU A 60 7.044 0.496 4.945 1.00 0.00 H new ATOM 0 HA LEU A 60 9.794 -0.391 5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.931 0.488 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.416 -1.183 7.222 1.00 0.00 H new ATOM 0 HG LEU A 60 8.921 -0.807 9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.508 -2.640 8.677 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.875 -3.017 8.078 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.148 -2.521 6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.308 -0.308 8.742 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.979 -0.088 7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.259 1.022 8.196 1.00 0.00 H new ATOM 883 N ARG A 61 9.465 -2.655 4.675 1.00 0.00 N ATOM 884 CA ARG A 61 9.318 -3.983 4.085 1.00 0.00 C ATOM 885 C ARG A 61 9.880 -5.056 5.016 1.00 0.00 C ATOM 886 O ARG A 61 10.879 -4.832 5.701 1.00 0.00 O ATOM 887 CB ARG A 61 10.033 -4.035 2.733 1.00 0.00 C ATOM 888 CG ARG A 61 9.457 -5.068 1.778 1.00 0.00 C ATOM 889 CD ARG A 61 8.505 -4.435 0.771 1.00 0.00 C ATOM 890 NE ARG A 61 9.109 -3.303 0.071 1.00 0.00 N ATOM 891 CZ ARG A 61 10.051 -3.420 -0.871 1.00 0.00 C ATOM 892 NH1 ARG A 61 10.508 -4.620 -1.223 1.00 0.00 N ATOM 893 NH2 ARG A 61 10.539 -2.334 -1.461 1.00 0.00 N ATOM 0 H ARG A 61 10.432 -2.349 4.783 1.00 0.00 H new ATOM 0 HA ARG A 61 8.256 -4.179 3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.980 -3.052 2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.088 -4.254 2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.269 -5.566 1.248 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.929 -5.834 2.346 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.197 -5.186 0.044 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.604 -4.102 1.286 1.00 0.00 H new ATOM 0 HE ARG A 61 8.792 -2.365 0.316 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.139 -5.458 -0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.227 -4.701 -1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.195 -1.411 -1.195 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.258 -2.423 -2.179 1.00 0.00 H new ATOM 907 N ASN A 62 9.234 -6.220 5.032 1.00 0.00 N ATOM 908 CA ASN A 62 9.673 -7.334 5.879 1.00 0.00 C ATOM 909 C ASN A 62 10.934 -8.000 5.322 1.00 0.00 C ATOM 910 O ASN A 62 11.613 -8.743 6.035 1.00 0.00 O ATOM 911 CB ASN A 62 8.552 -8.371 6.017 1.00 0.00 C ATOM 912 CG ASN A 62 7.380 -7.849 6.826 1.00 0.00 C ATOM 913 OD1 ASN A 62 7.321 -8.027 8.042 1.00 0.00 O ATOM 914 ND2 ASN A 62 6.436 -7.200 6.152 1.00 0.00 N ATOM 0 H ASN A 62 8.406 -6.419 4.470 1.00 0.00 H new ATOM 0 HA ASN A 62 9.912 -6.928 6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.205 -8.662 5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.947 -9.269 6.492 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.623 -6.827 6.643 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.524 -7.074 5.144 1.00 0.00 H new ATOM 921 N GLY A 63 11.241 -7.734 4.051 1.00 0.00 N ATOM 922 CA GLY A 63 12.416 -8.319 3.427 1.00 0.00 C ATOM 923 C GLY A 63 12.068 -9.349 2.362 1.00 0.00 C ATOM 924 O GLY A 63 12.881 -10.220 2.047 1.00 0.00 O ATOM 0 H GLY A 63 10.695 -7.123 3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 63 13.015 -7.527 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.032 -8.789 4.193 1.00 0.00 H new ATOM 928 N GLU A 64 10.859 -9.248 1.804 1.00 0.00 N ATOM 929 CA GLU A 64 10.406 -10.172 0.771 1.00 0.00 C ATOM 930 C GLU A 64 10.352 -9.477 -0.586 1.00 0.00 C ATOM 931 O GLU A 64 10.411 -8.248 -0.667 1.00 0.00 O ATOM 932 CB GLU A 64 9.025 -10.727 1.127 1.00 0.00 C ATOM 933 CG GLU A 64 8.885 -12.223 0.878 1.00 0.00 C ATOM 934 CD GLU A 64 8.630 -13.008 2.151 1.00 0.00 C ATOM 935 OE1 GLU A 64 9.423 -12.871 3.105 1.00 0.00 O ATOM 936 OE2 GLU A 64 7.635 -13.761 2.193 1.00 0.00 O ATOM 0 H GLU A 64 10.177 -8.532 2.054 1.00 0.00 H new ATOM 0 HA GLU A 64 11.117 -10.996 0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.820 -10.522 2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.270 -10.198 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.066 -12.396 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.793 -12.594 0.403 1.00 0.00 H new ATOM 943 N ALA A 65 10.237 -10.273 -1.650 1.00 0.00 N ATOM 944 CA ALA A 65 10.169 -9.739 -3.006 1.00 0.00 C ATOM 945 C ALA A 65 9.021 -8.744 -3.144 1.00 0.00 C ATOM 946 O ALA A 65 7.870 -9.065 -2.842 1.00 0.00 O ATOM 947 CB ALA A 65 10.016 -10.869 -4.017 1.00 0.00 C ATOM 0 H ALA A 65 10.189 -11.290 -1.596 1.00 0.00 H new ATOM 0 HA ALA A 65 11.102 -9.213 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.967 -10.453 -5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.871 -11.541 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.101 -11.423 -3.808 1.00 0.00 H new ATOM 953 N ALA A 66 9.343 -7.534 -3.597 1.00 0.00 N ATOM 954 CA ALA A 66 8.341 -6.488 -3.772 1.00 0.00 C ATOM 955 C ALA A 66 7.375 -6.840 -4.902 1.00 0.00 C ATOM 956 O ALA A 66 7.588 -6.467 -6.057 1.00 0.00 O ATOM 957 CB ALA A 66 9.007 -5.144 -4.038 1.00 0.00 C ATOM 0 H ALA A 66 10.291 -7.255 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 66 7.769 -6.412 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 66 8.242 -4.378 -4.166 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.646 -4.882 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.610 -5.209 -4.944 1.00 0.00 H new ATOM 963 N ALA A 67 6.314 -7.568 -4.556 1.00 0.00 N ATOM 964 CA ALA A 67 5.312 -7.981 -5.534 1.00 0.00 C ATOM 965 C ALA A 67 4.485 -6.791 -6.016 1.00 0.00 C ATOM 966 O ALA A 67 4.167 -5.889 -5.238 1.00 0.00 O ATOM 967 CB ALA A 67 4.405 -9.047 -4.938 1.00 0.00 C ATOM 0 H ALA A 67 6.127 -7.884 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 67 5.833 -8.398 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.662 -9.347 -5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.001 -9.913 -4.651 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.901 -8.646 -4.059 1.00 0.00 H new ATOM 973 N LEU A 68 4.140 -6.795 -7.302 1.00 0.00 N ATOM 974 CA LEU A 68 3.348 -5.717 -7.889 1.00 0.00 C ATOM 975 C LEU A 68 2.343 -6.264 -8.899 1.00 0.00 C ATOM 976 O LEU A 68 1.136 -6.078 -8.743 1.00 0.00 O ATOM 977 CB LEU A 68 4.262 -4.691 -8.563 1.00 0.00 C ATOM 978 CG LEU A 68 4.007 -3.232 -8.174 1.00 0.00 C ATOM 979 CD1 LEU A 68 5.320 -2.473 -8.053 1.00 0.00 C ATOM 980 CD2 LEU A 68 3.096 -2.562 -9.194 1.00 0.00 C ATOM 0 H LEU A 68 4.397 -7.533 -7.957 1.00 0.00 H new ATOM 0 HA LEU A 68 2.796 -5.228 -7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.296 -4.938 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.153 -4.786 -9.643 1.00 0.00 H new ATOM 0 HG LEU A 68 3.511 -3.216 -7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.118 -1.438 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.940 -2.939 -7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.844 -2.497 -9.009 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.924 -1.526 -8.903 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.567 -2.590 -10.176 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.143 -3.090 -9.233 1.00 0.00 H new ATOM 992 N GLY A 69 2.846 -6.940 -9.932 1.00 0.00 N ATOM 993 CA GLY A 69 1.974 -7.505 -10.948 1.00 0.00 C ATOM 994 C GLY A 69 1.621 -8.957 -10.675 1.00 0.00 C ATOM 995 O GLY A 69 1.514 -9.757 -11.606 1.00 0.00 O ATOM 0 H GLY A 69 3.841 -7.106 -10.082 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.058 -6.917 -11.003 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.460 -7.430 -11.921 1.00 0.00 H new ATOM 999 N GLU A 70 1.441 -9.299 -9.398 1.00 0.00 N ATOM 1000 CA GLU A 70 1.103 -10.664 -9.011 1.00 0.00 C ATOM 1001 C GLU A 70 0.321 -10.691 -7.697 1.00 0.00 C ATOM 1002 O GLU A 70 0.909 -10.771 -6.616 1.00 0.00 O ATOM 1003 CB GLU A 70 2.377 -11.507 -8.878 1.00 0.00 C ATOM 1004 CG GLU A 70 3.496 -10.807 -8.117 1.00 0.00 C ATOM 1005 CD GLU A 70 4.871 -11.372 -8.425 1.00 0.00 C ATOM 1006 OE1 GLU A 70 5.161 -11.623 -9.613 1.00 0.00 O ATOM 1007 OE2 GLU A 70 5.659 -11.556 -7.474 1.00 0.00 O ATOM 0 H GLU A 70 1.524 -8.648 -8.617 1.00 0.00 H new ATOM 0 HA GLU A 70 0.471 -11.087 -9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.133 -12.441 -8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.735 -11.769 -9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.484 -9.745 -8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.307 -10.891 -7.047 1.00 0.00 H new ATOM 1014 N ALA A 71 -1.007 -10.637 -7.796 1.00 0.00 N ATOM 1015 CA ALA A 71 -1.869 -10.667 -6.613 1.00 0.00 C ATOM 1016 C ALA A 71 -1.654 -11.944 -5.793 1.00 0.00 C ATOM 1017 O ALA A 71 -1.917 -11.968 -4.590 1.00 0.00 O ATOM 1018 CB ALA A 71 -3.331 -10.547 -7.020 1.00 0.00 C ATOM 0 H ALA A 71 -1.509 -10.572 -8.681 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.601 -9.816 -5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.960 -10.571 -6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.486 -9.606 -7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.596 -11.378 -7.674 1.00 0.00 H new ATOM 1024 N THR A 72 -1.174 -13.006 -6.451 1.00 0.00 N ATOM 1025 CA THR A 72 -0.925 -14.285 -5.785 1.00 0.00 C ATOM 1026 C THR A 72 0.495 -14.352 -5.204 1.00 0.00 C ATOM 1027 O THR A 72 1.111 -15.419 -5.170 1.00 0.00 O ATOM 1028 CB THR A 72 -1.140 -15.440 -6.772 1.00 0.00 C ATOM 1029 OG1 THR A 72 -0.756 -15.062 -8.083 1.00 0.00 O ATOM 1030 CG2 THR A 72 -2.576 -15.919 -6.835 1.00 0.00 C ATOM 0 H THR A 72 -0.951 -13.002 -7.446 1.00 0.00 H new ATOM 0 HA THR A 72 -1.630 -14.374 -4.959 1.00 0.00 H new ATOM 0 HB THR A 72 -0.519 -16.254 -6.398 1.00 0.00 H new ATOM 0 HG1 THR A 72 -0.900 -15.813 -8.695 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.656 -16.736 -7.552 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.887 -16.268 -5.850 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.220 -15.097 -7.148 1.00 0.00 H new ATOM 1038 N ALA A 73 1.009 -13.209 -4.748 1.00 0.00 N ATOM 1039 CA ALA A 73 2.351 -13.142 -4.175 1.00 0.00 C ATOM 1040 C ALA A 73 2.349 -13.501 -2.689 1.00 0.00 C ATOM 1041 O ALA A 73 1.290 -13.642 -2.074 1.00 0.00 O ATOM 1042 CB ALA A 73 2.938 -11.754 -4.381 1.00 0.00 C ATOM 0 H ALA A 73 0.515 -12.317 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 73 2.971 -13.875 -4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.939 -11.714 -3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.993 -11.537 -5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.303 -11.014 -3.893 1.00 0.00 H new ATOM 1048 N ALA A 74 3.547 -13.646 -2.121 1.00 0.00 N ATOM 1049 CA ALA A 74 3.696 -13.986 -0.707 1.00 0.00 C ATOM 1050 C ALA A 74 4.450 -12.891 0.043 1.00 0.00 C ATOM 1051 O ALA A 74 5.683 -12.893 0.094 1.00 0.00 O ATOM 1052 CB ALA A 74 4.407 -15.326 -0.555 1.00 0.00 C ATOM 0 H ALA A 74 4.429 -13.533 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 74 2.701 -14.068 -0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.510 -15.565 0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.825 -16.105 -1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.395 -15.268 -1.012 1.00 0.00 H new ATOM 1058 N GLY A 75 3.700 -11.956 0.624 1.00 0.00 N ATOM 1059 CA GLY A 75 4.308 -10.868 1.370 1.00 0.00 C ATOM 1060 C GLY A 75 4.498 -9.614 0.536 1.00 0.00 C ATOM 1061 O GLY A 75 5.164 -9.644 -0.499 1.00 0.00 O ATOM 0 H GLY A 75 2.681 -11.934 0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.685 -10.633 2.233 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.275 -11.193 1.754 1.00 0.00 H new ATOM 1065 N ASP A 76 3.914 -8.507 0.993 1.00 0.00 N ATOM 1066 CA ASP A 76 4.023 -7.233 0.289 1.00 0.00 C ATOM 1067 C ASP A 76 4.950 -6.273 1.034 1.00 0.00 C ATOM 1068 O ASP A 76 6.013 -5.908 0.531 1.00 0.00 O ATOM 1069 CB ASP A 76 2.636 -6.603 0.111 1.00 0.00 C ATOM 1070 CG ASP A 76 2.597 -5.591 -1.020 1.00 0.00 C ATOM 1071 OD1 ASP A 76 3.371 -4.614 -0.969 1.00 0.00 O ATOM 1072 OD2 ASP A 76 1.790 -5.779 -1.953 1.00 0.00 O ATOM 0 H ASP A 76 3.360 -8.468 1.849 1.00 0.00 H new ATOM 0 HA ASP A 76 4.452 -7.424 -0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.906 -7.389 -0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.340 -6.116 1.040 1.00 0.00 H new ATOM 1077 N GLU A 77 4.536 -5.869 2.232 1.00 0.00 N ATOM 1078 CA GLU A 77 5.318 -4.947 3.058 1.00 0.00 C ATOM 1079 C GLU A 77 4.836 -4.986 4.514 1.00 0.00 C ATOM 1080 O GLU A 77 4.197 -5.953 4.934 1.00 0.00 O ATOM 1081 CB GLU A 77 5.209 -3.525 2.495 1.00 0.00 C ATOM 1082 CG GLU A 77 3.819 -2.922 2.634 1.00 0.00 C ATOM 1083 CD GLU A 77 3.774 -1.453 2.259 1.00 0.00 C ATOM 1084 OE1 GLU A 77 4.049 -1.130 1.087 1.00 0.00 O ATOM 1085 OE2 GLU A 77 3.461 -0.627 3.142 1.00 0.00 O ATOM 0 H GLU A 77 3.658 -6.167 2.657 1.00 0.00 H new ATOM 0 HA GLU A 77 6.363 -5.257 3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.927 -2.884 3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.487 -3.538 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.124 -3.475 2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.478 -3.040 3.663 1.00 0.00 H new ATOM 1092 N LEU A 78 5.141 -3.933 5.276 1.00 0.00 N ATOM 1093 CA LEU A 78 4.728 -3.851 6.674 1.00 0.00 C ATOM 1094 C LEU A 78 3.906 -2.587 6.928 1.00 0.00 C ATOM 1095 O LEU A 78 2.798 -2.657 7.465 1.00 0.00 O ATOM 1096 CB LEU A 78 5.956 -3.868 7.588 1.00 0.00 C ATOM 1097 CG LEU A 78 5.667 -4.112 9.074 1.00 0.00 C ATOM 1098 CD1 LEU A 78 4.838 -5.374 9.264 1.00 0.00 C ATOM 1099 CD2 LEU A 78 6.969 -4.203 9.856 1.00 0.00 C ATOM 0 H LEU A 78 5.672 -3.127 4.946 1.00 0.00 H new ATOM 0 HA LEU A 78 4.104 -4.717 6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.639 -4.641 7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.475 -2.915 7.488 1.00 0.00 H new ATOM 0 HG LEU A 78 5.090 -3.269 9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.646 -5.526 10.326 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.891 -5.270 8.735 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.383 -6.231 8.867 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.749 -4.376 10.909 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.568 -5.027 9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.523 -3.270 9.750 1.00 0.00 H new ATOM 1111 N ALA A 79 4.455 -1.433 6.546 1.00 0.00 N ATOM 1112 CA ALA A 79 3.775 -0.153 6.736 1.00 0.00 C ATOM 1113 C ALA A 79 4.222 0.872 5.690 1.00 0.00 C ATOM 1114 O ALA A 79 5.332 0.789 5.170 1.00 0.00 O ATOM 1115 CB ALA A 79 4.046 0.377 8.138 1.00 0.00 C ATOM 0 H ALA A 79 5.371 -1.360 6.102 1.00 0.00 H new ATOM 0 HA ALA A 79 2.704 -0.315 6.613 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.536 1.331 8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.678 -0.337 8.874 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.118 0.517 8.273 1.00 0.00 H new ATOM 1121 N LEU A 80 3.353 1.838 5.390 1.00 0.00 N ATOM 1122 CA LEU A 80 3.665 2.879 4.409 1.00 0.00 C ATOM 1123 C LEU A 80 3.306 4.261 4.954 1.00 0.00 C ATOM 1124 O LEU A 80 2.137 4.652 4.960 1.00 0.00 O ATOM 1125 CB LEU A 80 2.910 2.614 3.098 1.00 0.00 C ATOM 1126 CG LEU A 80 3.769 2.650 1.829 1.00 0.00 C ATOM 1127 CD1 LEU A 80 3.096 1.871 0.710 1.00 0.00 C ATOM 1128 CD2 LEU A 80 4.029 4.085 1.396 1.00 0.00 C ATOM 0 H LEU A 80 2.428 1.922 5.812 1.00 0.00 H new ATOM 0 HA LEU A 80 4.737 2.855 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.431 1.637 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.115 3.353 3.000 1.00 0.00 H new ATOM 0 HG LEU A 80 4.727 2.181 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.719 1.907 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.962 0.834 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.124 2.313 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.640 4.088 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.080 4.581 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.553 4.616 2.191 1.00 0.00 H new ATOM 1140 N PHE A 81 4.314 5.000 5.416 1.00 0.00 N ATOM 1141 CA PHE A 81 4.091 6.335 5.966 1.00 0.00 C ATOM 1142 C PHE A 81 5.271 7.263 5.678 1.00 0.00 C ATOM 1143 O PHE A 81 6.423 6.828 5.669 1.00 0.00 O ATOM 1144 CB PHE A 81 3.842 6.259 7.479 1.00 0.00 C ATOM 1145 CG PHE A 81 4.878 5.470 8.234 1.00 0.00 C ATOM 1146 CD1 PHE A 81 6.061 6.066 8.644 1.00 0.00 C ATOM 1147 CD2 PHE A 81 4.669 4.132 8.534 1.00 0.00 C ATOM 1148 CE1 PHE A 81 7.013 5.344 9.337 1.00 0.00 C ATOM 1149 CE2 PHE A 81 5.618 3.406 9.227 1.00 0.00 C ATOM 1150 CZ PHE A 81 6.792 4.012 9.630 1.00 0.00 C ATOM 0 H PHE A 81 5.288 4.698 5.420 1.00 0.00 H new ATOM 0 HA PHE A 81 3.208 6.748 5.479 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.807 7.271 7.882 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.863 5.813 7.653 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.240 7.107 8.419 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.753 3.652 8.222 1.00 0.00 H new ATOM 0 HE1 PHE A 81 7.930 5.821 9.650 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.442 2.365 9.454 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.535 3.446 10.173 1.00 0.00 H new ATOM 1160 N PRO A 82 4.997 8.563 5.444 1.00 0.00 N ATOM 1161 CA PRO A 82 6.043 9.556 5.164 1.00 0.00 C ATOM 1162 C PRO A 82 7.068 9.645 6.293 1.00 0.00 C ATOM 1163 O PRO A 82 6.740 9.405 7.455 1.00 0.00 O ATOM 1164 CB PRO A 82 5.269 10.876 5.044 1.00 0.00 C ATOM 1165 CG PRO A 82 3.867 10.474 4.735 1.00 0.00 C ATOM 1166 CD PRO A 82 3.652 9.167 5.441 1.00 0.00 C ATOM 0 HA PRO A 82 6.615 9.302 4.271 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.320 11.449 5.970 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.682 11.506 4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 82 3.159 11.227 5.081 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.718 10.367 3.660 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.273 9.313 6.453 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.930 8.540 4.918 1.00 0.00 H new ATOM 1174 N PRO A 83 8.327 9.998 5.968 1.00 0.00 N ATOM 1175 CA PRO A 83 9.395 10.121 6.965 1.00 0.00 C ATOM 1176 C PRO A 83 9.280 11.416 7.775 1.00 0.00 C ATOM 1177 O PRO A 83 10.181 12.257 7.754 1.00 0.00 O ATOM 1178 CB PRO A 83 10.663 10.119 6.113 1.00 0.00 C ATOM 1179 CG PRO A 83 10.243 10.716 4.813 1.00 0.00 C ATOM 1180 CD PRO A 83 8.807 10.306 4.604 1.00 0.00 C ATOM 0 HA PRO A 83 9.367 9.324 7.708 1.00 0.00 H new ATOM 0 HB2 PRO A 83 11.455 10.704 6.580 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.049 9.109 5.979 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.338 11.802 4.835 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.872 10.357 3.999 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.225 11.106 4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 83 8.730 9.439 3.947 1.00 0.00 H new ATOM 1188 N VAL A 84 8.160 11.568 8.483 1.00 0.00 N ATOM 1189 CA VAL A 84 7.915 12.758 9.293 1.00 0.00 C ATOM 1190 C VAL A 84 7.527 12.381 10.722 1.00 0.00 C ATOM 1191 O VAL A 84 6.716 11.479 10.939 1.00 0.00 O ATOM 1192 CB VAL A 84 6.805 13.637 8.671 1.00 0.00 C ATOM 1193 CG1 VAL A 84 5.477 12.889 8.621 1.00 0.00 C ATOM 1194 CG2 VAL A 84 6.660 14.946 9.437 1.00 0.00 C ATOM 0 H VAL A 84 7.408 10.879 8.511 1.00 0.00 H new ATOM 0 HA VAL A 84 8.844 13.328 9.318 1.00 0.00 H new ATOM 0 HB VAL A 84 7.096 13.871 7.647 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.714 13.530 8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.589 11.989 8.016 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.177 12.612 9.632 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.874 15.549 8.982 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.400 14.734 10.474 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.602 15.493 9.403 1.00 0.00 H new ATOM 1204 N SER A 85 8.114 13.081 11.694 1.00 0.00 N ATOM 1205 CA SER A 85 7.834 12.828 13.108 1.00 0.00 C ATOM 1206 C SER A 85 8.440 13.917 13.992 1.00 0.00 C ATOM 1207 O SER A 85 7.730 14.583 14.747 1.00 0.00 O ATOM 1208 CB SER A 85 8.378 11.458 13.527 1.00 0.00 C ATOM 1209 OG SER A 85 7.343 10.491 13.579 1.00 0.00 O ATOM 0 H SER A 85 8.787 13.829 11.527 1.00 0.00 H new ATOM 0 HA SER A 85 6.752 12.838 13.239 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.145 11.137 12.822 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.856 11.536 14.504 1.00 0.00 H new ATOM 0 HG SER A 85 6.838 10.507 12.739 1.00 0.00 H new ATOM 1215 N GLY A 86 9.758 14.094 13.888 1.00 0.00 N ATOM 1216 CA GLY A 86 10.440 15.104 14.679 1.00 0.00 C ATOM 1217 C GLY A 86 10.460 16.454 13.993 1.00 0.00 C ATOM 1218 O GLY A 86 10.916 16.571 12.854 1.00 0.00 O ATOM 0 H GLY A 86 10.364 13.555 13.269 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.948 15.198 15.647 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.463 14.782 14.872 1.00 0.00 H new ATOM 1222 N GLY A 87 9.965 17.477 14.691 1.00 0.00 N ATOM 1223 CA GLY A 87 9.935 18.820 14.134 1.00 0.00 C ATOM 1224 C GLY A 87 10.371 19.882 15.130 1.00 0.00 C ATOM 1225 O GLY A 87 11.114 19.546 16.078 1.00 0.00 O ATOM 0 H GLY A 87 9.584 17.398 15.634 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.585 18.860 13.260 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.925 19.043 13.791 1.00 0.00 H new TER 1229 GLY A 87