USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 802 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+ 135:sc= 1.35 (180deg=0.46) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0849) USER MOD Single : A 25 ASN : amide:sc= 1.15 K(o=1.2,f=-0.0024) USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0202) USER MOD Single : A 29 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.15) USER MOD Single : A 30 TYR OH : rot 120:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -3.73! C(o=-3.7!,f=-3.6!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 170:sc= -0.428 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= 0.0158 (180deg=0.0057) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 23:sc= 0.426 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0523 X(o=-0.052,f=-0.13) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -1.82! USER MOD Single : A 70 LYS NZ :NH3+ 150:sc= -0.0405 (180deg=-0.725) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0116) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.343 X(o=0.34,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.375 -9.178 -18.760 1.00 0.00 N ATOM 2 CA MET A 1 -11.827 -9.658 -17.478 1.00 0.00 C ATOM 3 C MET A 1 -11.527 -8.476 -16.553 1.00 0.00 C ATOM 4 O MET A 1 -12.180 -8.294 -15.530 1.00 0.00 O ATOM 5 CB MET A 1 -10.568 -10.518 -17.686 1.00 0.00 C ATOM 6 CG MET A 1 -10.815 -11.785 -18.515 1.00 0.00 C ATOM 7 SD MET A 1 -11.037 -11.547 -20.297 1.00 0.00 S ATOM 8 CE MET A 1 -11.205 -13.269 -20.818 1.00 0.00 C ATOM 0 H1 MET A 1 -11.912 -9.679 -19.545 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.399 -9.359 -18.790 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.201 -8.157 -18.851 1.00 0.00 H new ATOM 0 HA MET A 1 -12.581 -10.290 -17.008 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.805 -9.915 -18.179 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.169 -10.804 -16.713 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.975 -12.463 -18.362 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.702 -12.283 -18.123 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.350 -13.310 -21.898 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.302 -13.819 -20.552 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.064 -13.718 -20.319 1.00 0.00 H new ATOM 20 N GLY A 2 -10.527 -7.681 -16.931 1.00 0.00 N ATOM 21 CA GLY A 2 -9.960 -6.600 -16.148 1.00 0.00 C ATOM 22 C GLY A 2 -8.485 -6.514 -16.528 1.00 0.00 C ATOM 23 O GLY A 2 -8.061 -7.179 -17.476 1.00 0.00 O ATOM 0 H GLY A 2 -10.072 -7.784 -17.838 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -10.470 -5.660 -16.359 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -10.075 -6.793 -15.081 1.00 0.00 H new ATOM 27 N GLU A 3 -7.702 -5.726 -15.793 1.00 0.00 N ATOM 28 CA GLU A 3 -6.268 -5.603 -15.967 1.00 0.00 C ATOM 29 C GLU A 3 -5.701 -4.978 -14.696 1.00 0.00 C ATOM 30 O GLU A 3 -6.446 -4.715 -13.751 1.00 0.00 O ATOM 31 CB GLU A 3 -5.948 -4.771 -17.222 1.00 0.00 C ATOM 32 CG GLU A 3 -6.533 -3.350 -17.188 1.00 0.00 C ATOM 33 CD GLU A 3 -7.748 -3.201 -18.100 1.00 0.00 C ATOM 34 OE1 GLU A 3 -8.844 -3.622 -17.671 1.00 0.00 O ATOM 35 OE2 GLU A 3 -7.556 -2.673 -19.217 1.00 0.00 O ATOM 0 H GLU A 3 -8.065 -5.141 -15.040 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.806 -6.578 -16.122 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.866 -4.706 -17.338 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.332 -5.291 -18.099 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.816 -3.101 -16.165 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.766 -2.637 -17.489 1.00 0.00 H new ATOM 42 N TRP A 4 -4.392 -4.730 -14.684 1.00 0.00 N ATOM 43 CA TRP A 4 -3.752 -3.997 -13.611 1.00 0.00 C ATOM 44 C TRP A 4 -4.024 -2.502 -13.771 1.00 0.00 C ATOM 45 O TRP A 4 -4.386 -2.037 -14.851 1.00 0.00 O ATOM 46 CB TRP A 4 -2.253 -4.295 -13.590 1.00 0.00 C ATOM 47 CG TRP A 4 -1.874 -5.706 -13.260 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.171 -6.819 -13.968 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.123 -6.164 -12.103 1.00 0.00 C ATOM 50 NE1 TRP A 4 -1.670 -7.929 -13.317 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.013 -7.583 -12.155 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.531 -5.511 -11.006 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.348 -8.319 -11.162 1.00 0.00 C ATOM 54 CZ3 TRP A 4 0.117 -6.238 -9.994 1.00 0.00 C ATOM 55 CH2 TRP A 4 0.219 -7.638 -10.072 1.00 0.00 C ATOM 0 H TRP A 4 -3.753 -5.034 -15.419 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.167 -4.316 -12.655 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.838 -4.046 -14.567 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.780 -3.633 -12.865 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -2.717 -6.837 -14.900 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -1.773 -8.886 -13.654 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.576 -4.434 -10.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.273 -9.394 -11.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.541 -5.717 -9.148 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.731 -8.188 -9.297 1.00 0.00 H new ATOM 66 N GLU A 5 -3.843 -1.760 -12.681 1.00 0.00 N ATOM 67 CA GLU A 5 -4.042 -0.332 -12.583 1.00 0.00 C ATOM 68 C GLU A 5 -2.890 0.262 -11.773 1.00 0.00 C ATOM 69 O GLU A 5 -2.147 -0.450 -11.093 1.00 0.00 O ATOM 70 CB GLU A 5 -5.370 -0.061 -11.872 1.00 0.00 C ATOM 71 CG GLU A 5 -6.600 -0.426 -12.717 1.00 0.00 C ATOM 72 CD GLU A 5 -7.896 -0.331 -11.914 1.00 0.00 C ATOM 73 OE1 GLU A 5 -7.931 0.491 -10.971 1.00 0.00 O ATOM 74 OE2 GLU A 5 -8.830 -1.091 -12.249 1.00 0.00 O ATOM 0 H GLU A 5 -3.537 -2.170 -11.799 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.067 0.120 -13.575 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.397 -0.627 -10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.422 0.995 -11.605 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.658 0.239 -13.579 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.487 -1.439 -13.103 1.00 0.00 H new ATOM 81 N ILE A 6 -2.768 1.584 -11.848 1.00 0.00 N ATOM 82 CA ILE A 6 -1.786 2.345 -11.101 1.00 0.00 C ATOM 83 C ILE A 6 -2.230 2.499 -9.648 1.00 0.00 C ATOM 84 O ILE A 6 -3.422 2.501 -9.338 1.00 0.00 O ATOM 85 CB ILE A 6 -1.521 3.704 -11.781 1.00 0.00 C ATOM 86 CG1 ILE A 6 -2.767 4.613 -11.855 1.00 0.00 C ATOM 87 CG2 ILE A 6 -0.958 3.483 -13.192 1.00 0.00 C ATOM 88 CD1 ILE A 6 -2.685 5.775 -10.861 1.00 0.00 C ATOM 0 H ILE A 6 -3.362 2.162 -12.442 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.841 1.803 -11.095 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.794 4.222 -11.156 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.870 5.007 -12.866 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.660 4.022 -11.651 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.774 4.447 -13.665 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.023 2.926 -13.128 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.677 2.919 -13.786 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.581 6.390 -10.946 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.609 5.382 -9.847 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.807 6.381 -11.082 1.00 0.00 H new ATOM 100 N ILE A 7 -1.250 2.624 -8.756 1.00 0.00 N ATOM 101 CA ILE A 7 -1.460 2.937 -7.353 1.00 0.00 C ATOM 102 C ILE A 7 -1.699 4.450 -7.228 1.00 0.00 C ATOM 103 O ILE A 7 -0.955 5.232 -7.817 1.00 0.00 O ATOM 104 CB ILE A 7 -0.258 2.423 -6.533 1.00 0.00 C ATOM 105 CG1 ILE A 7 -0.405 2.708 -5.025 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.067 3.005 -7.049 1.00 0.00 C ATOM 107 CD1 ILE A 7 -0.507 1.442 -4.167 1.00 0.00 C ATOM 0 H ILE A 7 -0.266 2.507 -8.999 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.340 2.437 -6.948 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.244 1.341 -6.667 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.450 3.296 -4.690 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.294 3.318 -4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.891 2.621 -6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.211 2.715 -8.090 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.040 4.092 -6.976 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.608 1.721 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.378 0.863 -4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.393 0.841 -4.297 1.00 0.00 H new ATOM 119 N ASP A 8 -2.737 4.871 -6.496 1.00 0.00 N ATOM 120 CA ASP A 8 -3.006 6.289 -6.277 1.00 0.00 C ATOM 121 C ASP A 8 -2.256 6.784 -5.032 1.00 0.00 C ATOM 122 O ASP A 8 -1.635 6.006 -4.304 1.00 0.00 O ATOM 123 CB ASP A 8 -4.521 6.539 -6.198 1.00 0.00 C ATOM 124 CG ASP A 8 -4.908 7.917 -6.732 1.00 0.00 C ATOM 125 OD1 ASP A 8 -4.607 8.909 -6.032 1.00 0.00 O ATOM 126 OD2 ASP A 8 -5.486 7.957 -7.839 1.00 0.00 O ATOM 0 H ASP A 8 -3.404 4.244 -6.046 1.00 0.00 H new ATOM 0 HA ASP A 8 -2.635 6.867 -7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.044 5.771 -6.767 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.849 6.447 -5.163 1.00 0.00 H new ATOM 131 N ILE A 9 -2.318 8.092 -4.790 1.00 0.00 N ATOM 132 CA ILE A 9 -1.650 8.787 -3.701 1.00 0.00 C ATOM 133 C ILE A 9 -2.611 8.886 -2.510 1.00 0.00 C ATOM 134 O ILE A 9 -3.780 8.514 -2.603 1.00 0.00 O ATOM 135 CB ILE A 9 -1.174 10.160 -4.233 1.00 0.00 C ATOM 136 CG1 ILE A 9 -0.305 10.005 -5.498 1.00 0.00 C ATOM 137 CG2 ILE A 9 -0.408 11.004 -3.203 1.00 0.00 C ATOM 138 CD1 ILE A 9 0.945 9.148 -5.274 1.00 0.00 C ATOM 0 H ILE A 9 -2.863 8.723 -5.378 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.770 8.251 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.094 10.695 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.906 9.559 -6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.002 10.993 -5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.111 11.950 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.049 11.200 -2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.480 10.463 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.511 9.080 -6.203 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.566 9.605 -4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.649 8.149 -4.956 1.00 0.00 H new ATOM 150 N GLY A 10 -2.117 9.377 -1.372 1.00 0.00 N ATOM 151 CA GLY A 10 -2.947 9.642 -0.208 1.00 0.00 C ATOM 152 C GLY A 10 -3.468 8.334 0.394 1.00 0.00 C ATOM 153 O GLY A 10 -2.654 7.448 0.675 1.00 0.00 O ATOM 0 H GLY A 10 -1.131 9.600 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.371 10.188 0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.786 10.278 -0.491 1.00 0.00 H new ATOM 157 N PRO A 11 -4.787 8.181 0.615 1.00 0.00 N ATOM 158 CA PRO A 11 -5.358 7.040 1.319 1.00 0.00 C ATOM 159 C PRO A 11 -5.396 5.813 0.403 1.00 0.00 C ATOM 160 O PRO A 11 -6.458 5.303 0.055 1.00 0.00 O ATOM 161 CB PRO A 11 -6.754 7.502 1.749 1.00 0.00 C ATOM 162 CG PRO A 11 -7.157 8.435 0.608 1.00 0.00 C ATOM 163 CD PRO A 11 -5.836 9.123 0.253 1.00 0.00 C ATOM 0 HA PRO A 11 -4.770 6.734 2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.445 6.665 1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.733 8.019 2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.567 7.885 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.916 9.152 0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.794 9.365 -0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.725 10.060 0.798 1.00 0.00 H new ATOM 171 N PHE A 12 -4.214 5.348 0.000 1.00 0.00 N ATOM 172 CA PHE A 12 -4.020 4.268 -0.942 1.00 0.00 C ATOM 173 C PHE A 12 -2.614 3.727 -0.657 1.00 0.00 C ATOM 174 O PHE A 12 -2.472 2.828 0.171 1.00 0.00 O ATOM 175 CB PHE A 12 -4.280 4.807 -2.364 1.00 0.00 C ATOM 176 CG PHE A 12 -4.663 3.808 -3.444 1.00 0.00 C ATOM 177 CD1 PHE A 12 -3.798 2.755 -3.787 1.00 0.00 C ATOM 178 CD2 PHE A 12 -5.784 4.069 -4.258 1.00 0.00 C ATOM 179 CE1 PHE A 12 -3.982 2.058 -4.994 1.00 0.00 C ATOM 180 CE2 PHE A 12 -5.959 3.382 -5.471 1.00 0.00 C ATOM 181 CZ PHE A 12 -5.029 2.408 -5.862 1.00 0.00 C ATOM 0 H PHE A 12 -3.334 5.736 0.341 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.712 3.431 -0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.074 5.551 -2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.381 5.328 -2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.991 2.481 -3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.513 4.802 -3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.315 1.250 -5.255 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.808 3.604 -6.101 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.118 1.929 -6.826 1.00 0.00 H new ATOM 191 N THR A 13 -1.564 4.327 -1.231 1.00 0.00 N ATOM 192 CA THR A 13 -0.186 3.919 -0.974 1.00 0.00 C ATOM 193 C THR A 13 0.117 4.014 0.524 1.00 0.00 C ATOM 194 O THR A 13 0.547 3.046 1.152 1.00 0.00 O ATOM 195 CB THR A 13 0.781 4.737 -1.857 1.00 0.00 C ATOM 196 OG1 THR A 13 2.094 4.226 -1.760 1.00 0.00 O ATOM 197 CG2 THR A 13 0.833 6.238 -1.548 1.00 0.00 C ATOM 0 H THR A 13 -1.650 5.106 -1.884 1.00 0.00 H new ATOM 0 HA THR A 13 -0.042 2.874 -1.250 1.00 0.00 H new ATOM 0 HB THR A 13 0.378 4.633 -2.864 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.694 4.755 -2.327 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.540 6.724 -2.221 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.157 6.672 -1.686 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.153 6.386 -0.517 1.00 0.00 H new ATOM 205 N GLN A 14 -0.164 5.181 1.109 1.00 0.00 N ATOM 206 CA GLN A 14 0.120 5.440 2.505 1.00 0.00 C ATOM 207 C GLN A 14 -0.772 4.575 3.387 1.00 0.00 C ATOM 208 O GLN A 14 -0.297 4.008 4.364 1.00 0.00 O ATOM 209 CB GLN A 14 -0.046 6.937 2.791 1.00 0.00 C ATOM 210 CG GLN A 14 1.315 7.636 2.873 1.00 0.00 C ATOM 211 CD GLN A 14 1.158 9.152 2.841 1.00 0.00 C ATOM 212 OE1 GLN A 14 1.446 9.789 1.834 1.00 0.00 O ATOM 213 NE2 GLN A 14 0.685 9.744 3.933 1.00 0.00 N ATOM 0 H GLN A 14 -0.594 5.966 0.621 1.00 0.00 H new ATOM 0 HA GLN A 14 1.152 5.173 2.735 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.648 7.396 2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.586 7.074 3.728 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.824 7.340 3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.943 7.315 2.042 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.454 9.187 4.756 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.553 10.755 3.948 1.00 0.00 H new ATOM 222 N ASN A 15 -2.054 4.453 3.033 1.00 0.00 N ATOM 223 CA ASN A 15 -2.997 3.607 3.757 1.00 0.00 C ATOM 224 C ASN A 15 -2.447 2.193 3.922 1.00 0.00 C ATOM 225 O ASN A 15 -2.356 1.671 5.028 1.00 0.00 O ATOM 226 CB ASN A 15 -4.339 3.558 3.025 1.00 0.00 C ATOM 227 CG ASN A 15 -5.396 2.874 3.885 1.00 0.00 C ATOM 228 OD1 ASN A 15 -5.972 3.496 4.769 1.00 0.00 O ATOM 229 ND2 ASN A 15 -5.663 1.593 3.643 1.00 0.00 N ATOM 0 H ASN A 15 -2.464 4.939 2.236 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.145 4.039 4.747 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.662 4.570 2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.226 3.021 2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.363 1.104 4.200 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.167 1.100 2.900 1.00 0.00 H new ATOM 236 N LEU A 16 -2.074 1.581 2.800 1.00 0.00 N ATOM 237 CA LEU A 16 -1.512 0.237 2.774 1.00 0.00 C ATOM 238 C LEU A 16 -0.191 0.186 3.538 1.00 0.00 C ATOM 239 O LEU A 16 0.011 -0.724 4.339 1.00 0.00 O ATOM 240 CB LEU A 16 -1.324 -0.189 1.320 1.00 0.00 C ATOM 241 CG LEU A 16 -2.662 -0.312 0.569 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.455 -0.149 -0.939 1.00 0.00 C ATOM 243 CD2 LEU A 16 -3.314 -1.658 0.874 1.00 0.00 C ATOM 0 H LEU A 16 -2.155 2.009 1.878 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.195 -0.455 3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.689 0.536 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.803 -1.146 1.289 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.323 0.485 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.414 -0.240 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.026 0.832 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.778 -0.923 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.260 -1.734 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.651 -2.463 0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.497 -1.739 1.945 1.00 0.00 H new ATOM 255 N ALA A 17 0.706 1.147 3.302 1.00 0.00 N ATOM 256 CA ALA A 17 1.978 1.191 4.006 1.00 0.00 C ATOM 257 C ALA A 17 1.760 1.193 5.522 1.00 0.00 C ATOM 258 O ALA A 17 2.362 0.400 6.245 1.00 0.00 O ATOM 259 CB ALA A 17 2.772 2.416 3.548 1.00 0.00 C ATOM 0 H ALA A 17 0.570 1.901 2.629 1.00 0.00 H new ATOM 0 HA ALA A 17 2.555 0.297 3.767 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.725 2.450 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.953 2.352 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.204 3.320 3.767 1.00 0.00 H new ATOM 265 N LYS A 18 0.872 2.068 6.003 1.00 0.00 N ATOM 266 CA LYS A 18 0.528 2.118 7.412 1.00 0.00 C ATOM 267 C LYS A 18 -0.084 0.794 7.848 1.00 0.00 C ATOM 268 O LYS A 18 0.344 0.244 8.857 1.00 0.00 O ATOM 269 CB LYS A 18 -0.414 3.292 7.729 1.00 0.00 C ATOM 270 CG LYS A 18 0.266 4.366 8.587 1.00 0.00 C ATOM 271 CD LYS A 18 0.705 3.807 9.953 1.00 0.00 C ATOM 272 CE LYS A 18 0.894 4.925 10.983 1.00 0.00 C ATOM 273 NZ LYS A 18 -0.399 5.469 11.440 1.00 0.00 N ATOM 0 H LYS A 18 0.380 2.751 5.427 1.00 0.00 H new ATOM 0 HA LYS A 18 1.445 2.284 7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.760 3.739 6.797 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.295 2.918 8.250 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.134 4.759 8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.420 5.200 8.738 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.042 3.100 10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.638 3.255 9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.450 4.542 11.838 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.492 5.725 10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.251 6.045 12.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.811 6.061 10.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.047 4.686 11.659 1.00 0.00 H new ATOM 287 N PHE A 19 -1.071 0.288 7.098 1.00 0.00 N ATOM 288 CA PHE A 19 -1.729 -0.981 7.388 1.00 0.00 C ATOM 289 C PHE A 19 -0.683 -2.057 7.657 1.00 0.00 C ATOM 290 O PHE A 19 -0.790 -2.765 8.655 1.00 0.00 O ATOM 291 CB PHE A 19 -2.668 -1.387 6.240 1.00 0.00 C ATOM 292 CG PHE A 19 -3.576 -2.580 6.511 1.00 0.00 C ATOM 293 CD1 PHE A 19 -4.436 -2.581 7.626 1.00 0.00 C ATOM 294 CD2 PHE A 19 -3.642 -3.645 5.590 1.00 0.00 C ATOM 295 CE1 PHE A 19 -5.321 -3.653 7.839 1.00 0.00 C ATOM 296 CE2 PHE A 19 -4.526 -4.719 5.806 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.364 -4.728 6.934 1.00 0.00 C ATOM 0 H PHE A 19 -1.434 0.756 6.267 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.341 -0.865 8.282 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.293 -0.530 5.987 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.061 -1.609 5.362 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.416 -1.755 8.321 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.011 -3.637 4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.971 -3.650 8.702 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -4.560 -5.538 5.103 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.037 -5.555 7.105 1.00 0.00 H new ATOM 307 N ALA A 20 0.344 -2.134 6.800 1.00 0.00 N ATOM 308 CA ALA A 20 1.471 -3.035 7.008 1.00 0.00 C ATOM 309 C ALA A 20 2.004 -2.917 8.429 1.00 0.00 C ATOM 310 O ALA A 20 1.851 -3.832 9.235 1.00 0.00 O ATOM 311 CB ALA A 20 2.608 -2.803 5.998 1.00 0.00 C ATOM 0 H ALA A 20 0.411 -1.575 5.950 1.00 0.00 H new ATOM 0 HA ALA A 20 1.094 -4.045 6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.421 -3.501 6.199 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.234 -2.963 4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.975 -1.781 6.092 1.00 0.00 H new ATOM 317 N VAL A 21 2.646 -1.787 8.726 1.00 0.00 N ATOM 318 CA VAL A 21 3.407 -1.629 9.947 1.00 0.00 C ATOM 319 C VAL A 21 2.466 -1.719 11.148 1.00 0.00 C ATOM 320 O VAL A 21 2.709 -2.493 12.074 1.00 0.00 O ATOM 321 CB VAL A 21 4.180 -0.301 9.896 1.00 0.00 C ATOM 322 CG1 VAL A 21 5.075 -0.149 11.134 1.00 0.00 C ATOM 323 CG2 VAL A 21 5.062 -0.207 8.643 1.00 0.00 C ATOM 0 H VAL A 21 2.648 -0.964 8.124 1.00 0.00 H new ATOM 0 HA VAL A 21 4.141 -2.428 10.052 1.00 0.00 H new ATOM 0 HB VAL A 21 3.438 0.497 9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.614 0.797 11.079 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.458 -0.164 12.033 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.789 -0.972 11.170 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.593 0.745 8.642 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.783 -1.024 8.644 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.437 -0.275 7.752 1.00 0.00 H new ATOM 333 N ASP A 22 1.400 -0.917 11.125 1.00 0.00 N ATOM 334 CA ASP A 22 0.453 -0.793 12.218 1.00 0.00 C ATOM 335 C ASP A 22 -0.150 -2.153 12.552 1.00 0.00 C ATOM 336 O ASP A 22 0.105 -2.681 13.627 1.00 0.00 O ATOM 337 CB ASP A 22 -0.642 0.222 11.861 1.00 0.00 C ATOM 338 CG ASP A 22 -1.757 0.231 12.902 1.00 0.00 C ATOM 339 OD1 ASP A 22 -1.457 0.617 14.052 1.00 0.00 O ATOM 340 OD2 ASP A 22 -2.885 -0.158 12.528 1.00 0.00 O ATOM 0 H ASP A 22 1.172 -0.326 10.326 1.00 0.00 H new ATOM 0 HA ASP A 22 0.979 -0.429 13.101 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.206 1.218 11.785 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.058 -0.019 10.883 1.00 0.00 H new ATOM 345 N GLU A 23 -0.951 -2.721 11.644 1.00 0.00 N ATOM 346 CA GLU A 23 -1.582 -4.013 11.847 1.00 0.00 C ATOM 347 C GLU A 23 -0.561 -5.078 12.254 1.00 0.00 C ATOM 348 O GLU A 23 -0.769 -5.783 13.242 1.00 0.00 O ATOM 349 CB GLU A 23 -2.357 -4.380 10.574 1.00 0.00 C ATOM 350 CG GLU A 23 -3.626 -5.190 10.839 1.00 0.00 C ATOM 351 CD GLU A 23 -3.396 -6.664 11.160 1.00 0.00 C ATOM 352 OE1 GLU A 23 -2.243 -7.124 11.018 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.401 -7.315 11.519 1.00 0.00 O ATOM 0 H GLU A 23 -1.175 -2.290 10.747 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.286 -3.960 12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.624 -3.465 10.046 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.704 -4.950 9.913 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.164 -4.733 11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.272 -5.121 9.964 1.00 0.00 H new ATOM 360 N GLU A 24 0.555 -5.180 11.519 1.00 0.00 N ATOM 361 CA GLU A 24 1.590 -6.154 11.840 1.00 0.00 C ATOM 362 C GLU A 24 2.060 -5.994 13.288 1.00 0.00 C ATOM 363 O GLU A 24 2.204 -6.995 13.984 1.00 0.00 O ATOM 364 CB GLU A 24 2.746 -6.053 10.839 1.00 0.00 C ATOM 365 CG GLU A 24 3.860 -7.075 11.067 1.00 0.00 C ATOM 366 CD GLU A 24 4.963 -6.927 10.023 1.00 0.00 C ATOM 367 OE1 GLU A 24 4.964 -5.902 9.307 1.00 0.00 O ATOM 368 OE2 GLU A 24 5.800 -7.849 9.973 1.00 0.00 O ATOM 0 H GLU A 24 0.757 -4.601 10.704 1.00 0.00 H new ATOM 0 HA GLU A 24 1.171 -7.156 11.753 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.352 -6.180 9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.171 -5.051 10.891 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.279 -6.944 12.065 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.447 -8.083 11.024 1.00 0.00 H new ATOM 375 N ASN A 25 2.287 -4.763 13.759 1.00 0.00 N ATOM 376 CA ASN A 25 2.649 -4.512 15.145 1.00 0.00 C ATOM 377 C ASN A 25 1.498 -4.874 16.086 1.00 0.00 C ATOM 378 O ASN A 25 1.716 -5.516 17.109 1.00 0.00 O ATOM 379 CB ASN A 25 3.054 -3.044 15.328 1.00 0.00 C ATOM 380 CG ASN A 25 4.535 -2.814 15.045 1.00 0.00 C ATOM 381 OD1 ASN A 25 5.348 -2.753 15.962 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.909 -2.677 13.778 1.00 0.00 N ATOM 0 H ASN A 25 2.224 -3.921 13.187 1.00 0.00 H new ATOM 0 HA ASN A 25 3.500 -5.145 15.398 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.458 -2.419 14.663 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.828 -2.731 16.347 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.890 -2.517 13.550 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.215 -2.732 13.033 1.00 0.00 H new ATOM 389 N LYS A 26 0.277 -4.447 15.754 1.00 0.00 N ATOM 390 CA LYS A 26 -0.909 -4.616 16.582 1.00 0.00 C ATOM 391 C LYS A 26 -1.174 -6.098 16.858 1.00 0.00 C ATOM 392 O LYS A 26 -1.481 -6.468 17.989 1.00 0.00 O ATOM 393 CB LYS A 26 -2.084 -3.897 15.900 1.00 0.00 C ATOM 394 CG LYS A 26 -3.441 -4.078 16.596 1.00 0.00 C ATOM 395 CD LYS A 26 -4.295 -5.103 15.834 1.00 0.00 C ATOM 396 CE LYS A 26 -5.658 -5.335 16.495 1.00 0.00 C ATOM 397 NZ LYS A 26 -5.527 -6.032 17.786 1.00 0.00 N ATOM 0 H LYS A 26 0.086 -3.962 14.877 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.764 -4.163 17.563 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.858 -2.832 15.846 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.166 -4.257 14.875 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.290 -4.411 17.623 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.963 -3.123 16.645 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.445 -4.758 14.811 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.757 -6.049 15.776 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.156 -4.377 16.648 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.291 -5.921 15.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.473 -6.231 18.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.014 -6.926 17.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.002 -5.431 18.453 1.00 0.00 H new ATOM 411 N ILE A 27 -1.063 -6.947 15.832 1.00 0.00 N ATOM 412 CA ILE A 27 -1.190 -8.390 16.003 1.00 0.00 C ATOM 413 C ILE A 27 0.117 -8.975 16.547 1.00 0.00 C ATOM 414 O ILE A 27 0.097 -9.864 17.394 1.00 0.00 O ATOM 415 CB ILE A 27 -1.594 -9.052 14.674 1.00 0.00 C ATOM 416 CG1 ILE A 27 -2.899 -8.484 14.088 1.00 0.00 C ATOM 417 CG2 ILE A 27 -1.728 -10.571 14.842 1.00 0.00 C ATOM 418 CD1 ILE A 27 -4.157 -8.770 14.917 1.00 0.00 C ATOM 0 H ILE A 27 -0.885 -6.654 14.871 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.976 -8.596 16.729 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.794 -8.825 13.969 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.791 -7.405 13.978 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.040 -8.894 13.088 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.014 -11.018 13.890 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.774 -10.987 15.166 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.491 -10.788 15.589 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.025 -8.331 14.425 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.297 -9.847 15.006 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.045 -8.335 15.910 1.00 0.00 H new ATOM 430 N GLY A 28 1.256 -8.518 16.022 1.00 0.00 N ATOM 431 CA GLY A 28 2.573 -9.039 16.359 1.00 0.00 C ATOM 432 C GLY A 28 2.849 -10.386 15.686 1.00 0.00 C ATOM 433 O GLY A 28 3.700 -11.136 16.154 1.00 0.00 O ATOM 0 H GLY A 28 1.284 -7.761 15.339 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.335 -8.320 16.057 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.652 -9.152 17.440 1.00 0.00 H new ATOM 437 N GLN A 29 2.137 -10.704 14.595 1.00 0.00 N ATOM 438 CA GLN A 29 2.198 -12.024 13.971 1.00 0.00 C ATOM 439 C GLN A 29 3.619 -12.423 13.550 1.00 0.00 C ATOM 440 O GLN A 29 4.080 -13.509 13.892 1.00 0.00 O ATOM 441 CB GLN A 29 1.229 -12.078 12.779 1.00 0.00 C ATOM 442 CG GLN A 29 0.884 -13.524 12.387 1.00 0.00 C ATOM 443 CD GLN A 29 0.126 -14.264 13.486 1.00 0.00 C ATOM 444 OE1 GLN A 29 0.532 -15.333 13.926 1.00 0.00 O ATOM 445 NE2 GLN A 29 -0.977 -13.690 13.952 1.00 0.00 N ATOM 0 H GLN A 29 1.507 -10.053 14.126 1.00 0.00 H new ATOM 0 HA GLN A 29 1.893 -12.755 14.720 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.314 -11.542 13.030 1.00 0.00 H new ATOM 0 HB3 GLN A 29 1.674 -11.567 11.926 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.283 -13.517 11.478 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.803 -14.064 12.158 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.291 -12.799 13.566 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.511 -14.140 14.696 1.00 0.00 H new ATOM 454 N TYR A 30 4.289 -11.563 12.773 1.00 0.00 N ATOM 455 CA TYR A 30 5.683 -11.737 12.359 1.00 0.00 C ATOM 456 C TYR A 30 6.515 -10.643 13.015 1.00 0.00 C ATOM 457 O TYR A 30 7.343 -10.927 13.877 1.00 0.00 O ATOM 458 CB TYR A 30 5.849 -11.791 10.822 1.00 0.00 C ATOM 459 CG TYR A 30 4.559 -11.848 10.030 1.00 0.00 C ATOM 460 CD1 TYR A 30 3.815 -13.041 10.022 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.034 -10.689 9.430 1.00 0.00 C ATOM 462 CE1 TYR A 30 2.510 -13.050 9.509 1.00 0.00 C ATOM 463 CE2 TYR A 30 2.694 -10.677 8.995 1.00 0.00 C ATOM 464 CZ TYR A 30 1.924 -11.854 9.070 1.00 0.00 C ATOM 465 OH TYR A 30 0.581 -11.827 8.843 1.00 0.00 O ATOM 0 H TYR A 30 3.866 -10.709 12.408 1.00 0.00 H new ATOM 0 HA TYR A 30 6.044 -12.708 12.698 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.412 -10.914 10.504 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.450 -12.665 10.569 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.249 -13.950 10.411 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.654 -9.814 9.304 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.957 -13.976 9.452 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.259 -9.769 8.605 1.00 0.00 H new ATOM 0 HH TYR A 30 0.164 -11.159 9.426 1.00 0.00 H new ATOM 475 N GLY A 31 6.263 -9.390 12.629 1.00 0.00 N ATOM 476 CA GLY A 31 6.941 -8.238 13.209 1.00 0.00 C ATOM 477 C GLY A 31 7.724 -7.534 12.112 1.00 0.00 C ATOM 478 O GLY A 31 8.364 -8.182 11.285 1.00 0.00 O ATOM 0 H GLY A 31 5.584 -9.150 11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.216 -7.556 13.653 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.611 -8.556 14.008 1.00 0.00 H new ATOM 482 N ARG A 32 7.614 -6.207 12.058 1.00 0.00 N ATOM 483 CA ARG A 32 8.100 -5.447 10.932 1.00 0.00 C ATOM 484 C ARG A 32 9.595 -5.239 11.109 1.00 0.00 C ATOM 485 O ARG A 32 10.079 -5.134 12.234 1.00 0.00 O ATOM 486 CB ARG A 32 7.312 -4.135 10.795 1.00 0.00 C ATOM 487 CG ARG A 32 7.267 -3.639 9.341 1.00 0.00 C ATOM 488 CD ARG A 32 8.181 -2.434 9.083 1.00 0.00 C ATOM 489 NE ARG A 32 8.216 -2.069 7.654 1.00 0.00 N ATOM 490 CZ ARG A 32 8.382 -0.832 7.152 1.00 0.00 C ATOM 491 NH1 ARG A 32 8.388 0.245 7.945 1.00 0.00 N ATOM 492 NH2 ARG A 32 8.543 -0.668 5.835 1.00 0.00 N ATOM 0 H ARG A 32 7.187 -5.642 12.793 1.00 0.00 H new ATOM 0 HA ARG A 32 7.945 -5.984 9.996 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.295 -4.283 11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.768 -3.371 11.425 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.556 -4.454 8.677 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.242 -3.369 9.088 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.833 -1.582 9.667 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.190 -2.664 9.424 1.00 0.00 H new ATOM 0 HE ARG A 32 8.103 -2.828 6.982 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.265 0.138 8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.515 1.174 7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.540 -1.479 5.216 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.669 0.268 5.449 1.00 0.00 H new ATOM 506 N LEU A 33 10.322 -5.201 9.995 1.00 0.00 N ATOM 507 CA LEU A 33 11.754 -4.980 10.029 1.00 0.00 C ATOM 508 C LEU A 33 12.037 -3.528 10.438 1.00 0.00 C ATOM 509 O LEU A 33 11.133 -2.780 10.808 1.00 0.00 O ATOM 510 CB LEU A 33 12.369 -5.388 8.683 1.00 0.00 C ATOM 511 CG LEU A 33 12.363 -6.906 8.405 1.00 0.00 C ATOM 512 CD1 LEU A 33 13.103 -7.695 9.485 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.984 -7.540 8.211 1.00 0.00 C ATOM 0 H LEU A 33 9.936 -5.321 9.059 1.00 0.00 H new ATOM 0 HA LEU A 33 12.233 -5.607 10.782 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.826 -4.884 7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.398 -5.030 8.645 1.00 0.00 H new ATOM 0 HG LEU A 33 12.883 -6.973 7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.071 -8.758 9.245 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.141 -7.364 9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.625 -7.527 10.450 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.098 -8.607 8.022 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.386 -7.392 9.110 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.485 -7.073 7.362 1.00 0.00 H new ATOM 525 N THR A 34 13.296 -3.106 10.379 1.00 0.00 N ATOM 526 CA THR A 34 13.742 -1.866 10.989 1.00 0.00 C ATOM 527 C THR A 34 13.358 -0.640 10.160 1.00 0.00 C ATOM 528 O THR A 34 14.216 -0.021 9.541 1.00 0.00 O ATOM 529 CB THR A 34 15.245 -2.004 11.231 1.00 0.00 C ATOM 530 OG1 THR A 34 15.515 -3.289 11.729 1.00 0.00 O ATOM 531 CG2 THR A 34 15.774 -0.941 12.212 1.00 0.00 C ATOM 0 H THR A 34 14.037 -3.620 9.903 1.00 0.00 H new ATOM 0 HA THR A 34 13.239 -1.697 11.941 1.00 0.00 H new ATOM 0 HB THR A 34 15.756 -1.850 10.280 1.00 0.00 H new ATOM 0 HG1 THR A 34 16.478 -3.384 11.885 1.00 0.00 H new ATOM 0 HG21 THR A 34 16.846 -1.078 12.354 1.00 0.00 H new ATOM 0 HG22 THR A 34 15.586 0.053 11.807 1.00 0.00 H new ATOM 0 HG23 THR A 34 15.265 -1.045 13.170 1.00 0.00 H new ATOM 539 N PHE A 35 12.059 -0.302 10.186 1.00 0.00 N ATOM 540 CA PHE A 35 11.460 0.931 9.666 1.00 0.00 C ATOM 541 C PHE A 35 12.174 1.405 8.402 1.00 0.00 C ATOM 542 O PHE A 35 12.787 2.469 8.367 1.00 0.00 O ATOM 543 CB PHE A 35 11.352 1.995 10.773 1.00 0.00 C ATOM 544 CG PHE A 35 12.434 1.954 11.838 1.00 0.00 C ATOM 545 CD1 PHE A 35 13.659 2.614 11.630 1.00 0.00 C ATOM 546 CD2 PHE A 35 12.221 1.233 13.029 1.00 0.00 C ATOM 547 CE1 PHE A 35 14.645 2.597 12.632 1.00 0.00 C ATOM 548 CE2 PHE A 35 13.213 1.205 14.024 1.00 0.00 C ATOM 549 CZ PHE A 35 14.420 1.897 13.831 1.00 0.00 C ATOM 0 H PHE A 35 11.360 -0.921 10.596 1.00 0.00 H new ATOM 0 HA PHE A 35 10.436 0.727 9.353 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.365 2.980 10.306 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.384 1.887 11.262 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.842 3.133 10.701 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.293 0.700 13.178 1.00 0.00 H new ATOM 0 HE1 PHE A 35 15.577 3.122 12.481 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.047 0.652 14.937 1.00 0.00 H new ATOM 0 HZ PHE A 35 15.175 1.892 14.603 1.00 0.00 H new ATOM 559 N ASN A 36 12.084 0.566 7.368 1.00 0.00 N ATOM 560 CA ASN A 36 12.916 0.642 6.183 1.00 0.00 C ATOM 561 C ASN A 36 12.240 1.504 5.113 1.00 0.00 C ATOM 562 O ASN A 36 12.305 2.725 5.213 1.00 0.00 O ATOM 563 CB ASN A 36 13.373 -0.772 5.747 1.00 0.00 C ATOM 564 CG ASN A 36 12.879 -1.910 6.647 1.00 0.00 C ATOM 565 OD1 ASN A 36 13.658 -2.584 7.317 1.00 0.00 O ATOM 566 ND2 ASN A 36 11.569 -2.168 6.649 1.00 0.00 N ATOM 0 H ASN A 36 11.412 -0.201 7.339 1.00 0.00 H new ATOM 0 HA ASN A 36 13.849 1.164 6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 36 13.025 -0.954 4.730 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.462 -0.795 5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.201 -2.934 7.213 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.936 -1.599 6.087 1.00 0.00 H new ATOM 573 N LYS A 37 11.597 0.919 4.095 1.00 0.00 N ATOM 574 CA LYS A 37 11.011 1.667 2.984 1.00 0.00 C ATOM 575 C LYS A 37 10.178 0.728 2.106 1.00 0.00 C ATOM 576 O LYS A 37 9.978 -0.435 2.449 1.00 0.00 O ATOM 577 CB LYS A 37 12.093 2.439 2.192 1.00 0.00 C ATOM 578 CG LYS A 37 13.282 1.578 1.728 1.00 0.00 C ATOM 579 CD LYS A 37 14.603 2.007 2.386 1.00 0.00 C ATOM 580 CE LYS A 37 15.115 3.349 1.841 1.00 0.00 C ATOM 581 NZ LYS A 37 16.247 3.850 2.642 1.00 0.00 N ATOM 0 H LYS A 37 11.470 -0.090 4.022 1.00 0.00 H new ATOM 0 HA LYS A 37 10.336 2.426 3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.629 2.896 1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.470 3.251 2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.084 0.532 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.378 1.649 0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.461 2.085 3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.357 1.238 2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.425 3.229 0.803 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.307 4.081 1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.573 4.757 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.942 3.986 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.025 3.161 2.612 1.00 0.00 H new ATOM 595 N VAL A 38 9.678 1.235 0.982 1.00 0.00 N ATOM 596 CA VAL A 38 8.868 0.524 0.008 1.00 0.00 C ATOM 597 C VAL A 38 9.351 0.948 -1.376 1.00 0.00 C ATOM 598 O VAL A 38 9.800 2.086 -1.529 1.00 0.00 O ATOM 599 CB VAL A 38 7.388 0.863 0.278 1.00 0.00 C ATOM 600 CG1 VAL A 38 7.070 2.349 0.048 1.00 0.00 C ATOM 601 CG2 VAL A 38 6.393 0.010 -0.520 1.00 0.00 C ATOM 0 H VAL A 38 9.838 2.206 0.716 1.00 0.00 H new ATOM 0 HA VAL A 38 8.962 -0.560 0.075 1.00 0.00 H new ATOM 0 HB VAL A 38 7.258 0.624 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.015 2.531 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.680 2.959 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.290 2.612 -0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.375 0.311 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.565 0.153 -1.587 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.531 -1.041 -0.268 1.00 0.00 H new ATOM 611 N ILE A 39 9.296 0.058 -2.373 1.00 0.00 N ATOM 612 CA ILE A 39 9.537 0.491 -3.746 1.00 0.00 C ATOM 613 C ILE A 39 8.397 1.411 -4.170 1.00 0.00 C ATOM 614 O ILE A 39 7.347 1.447 -3.531 1.00 0.00 O ATOM 615 CB ILE A 39 9.724 -0.686 -4.723 1.00 0.00 C ATOM 616 CG1 ILE A 39 8.442 -1.477 -5.031 1.00 0.00 C ATOM 617 CG2 ILE A 39 10.803 -1.636 -4.192 1.00 0.00 C ATOM 618 CD1 ILE A 39 7.536 -0.884 -6.116 1.00 0.00 C ATOM 0 H ILE A 39 9.093 -0.935 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 39 10.480 1.036 -3.780 1.00 0.00 H new ATOM 0 HB ILE A 39 10.028 -0.237 -5.668 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.724 -2.486 -5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.864 -1.568 -4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 39 10.931 -2.466 -4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 39 11.745 -1.097 -4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.501 -2.021 -3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.663 -1.523 -6.250 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.213 0.113 -5.816 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.086 -0.820 -7.055 1.00 0.00 H new ATOM 630 N ARG A 40 8.584 2.143 -5.265 1.00 0.00 N ATOM 631 CA ARG A 40 7.567 3.030 -5.784 1.00 0.00 C ATOM 632 C ARG A 40 7.894 3.337 -7.244 1.00 0.00 C ATOM 633 O ARG A 40 9.074 3.482 -7.563 1.00 0.00 O ATOM 634 CB ARG A 40 7.463 4.284 -4.901 1.00 0.00 C ATOM 635 CG ARG A 40 8.801 5.018 -4.701 1.00 0.00 C ATOM 636 CD ARG A 40 8.904 5.568 -3.272 1.00 0.00 C ATOM 637 NE ARG A 40 7.756 6.416 -2.922 1.00 0.00 N ATOM 638 CZ ARG A 40 7.589 7.691 -3.299 1.00 0.00 C ATOM 639 NH1 ARG A 40 8.505 8.297 -4.061 1.00 0.00 N ATOM 640 NH2 ARG A 40 6.498 8.355 -2.905 1.00 0.00 N ATOM 0 H ARG A 40 9.446 2.133 -5.811 1.00 0.00 H new ATOM 0 HA ARG A 40 6.583 2.563 -5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.745 4.972 -5.347 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.067 3.998 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 40 9.629 4.336 -4.895 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.885 5.834 -5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.969 4.738 -2.568 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.824 6.144 -3.171 1.00 0.00 H new ATOM 0 HE ARG A 40 7.026 6.000 -2.344 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.338 7.789 -4.359 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.371 9.268 -4.344 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.801 7.891 -2.322 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.362 9.326 -3.187 1.00 0.00 H new ATOM 654 N PRO A 41 6.894 3.421 -8.136 1.00 0.00 N ATOM 655 CA PRO A 41 5.480 3.201 -7.866 1.00 0.00 C ATOM 656 C PRO A 41 5.165 1.705 -7.699 1.00 0.00 C ATOM 657 O PRO A 41 5.763 0.853 -8.353 1.00 0.00 O ATOM 658 CB PRO A 41 4.753 3.791 -9.076 1.00 0.00 C ATOM 659 CG PRO A 41 5.751 3.582 -10.215 1.00 0.00 C ATOM 660 CD PRO A 41 7.106 3.767 -9.530 1.00 0.00 C ATOM 0 HA PRO A 41 5.167 3.670 -6.933 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.809 3.280 -9.268 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.521 4.846 -8.932 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.655 2.590 -10.657 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.603 4.305 -11.018 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.863 3.126 -9.981 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.457 4.794 -9.629 1.00 0.00 H new ATOM 668 N CYS A 42 4.224 1.398 -6.801 1.00 0.00 N ATOM 669 CA CYS A 42 3.617 0.078 -6.630 1.00 0.00 C ATOM 670 C CYS A 42 2.639 -0.184 -7.785 1.00 0.00 C ATOM 671 O CYS A 42 2.557 0.618 -8.715 1.00 0.00 O ATOM 672 CB CYS A 42 2.879 0.047 -5.287 1.00 0.00 C ATOM 673 SG CYS A 42 4.020 0.143 -3.889 1.00 0.00 S ATOM 0 H CYS A 42 3.851 2.089 -6.150 1.00 0.00 H new ATOM 0 HA CYS A 42 4.383 -0.697 -6.638 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.176 0.879 -5.240 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.294 -0.870 -5.216 1.00 0.00 H new ATOM 0 HG CYS A 42 3.348 0.329 -2.792 1.00 0.00 H new ATOM 679 N MET A 43 1.865 -1.277 -7.733 1.00 0.00 N ATOM 680 CA MET A 43 0.883 -1.575 -8.771 1.00 0.00 C ATOM 681 C MET A 43 -0.358 -2.229 -8.152 1.00 0.00 C ATOM 682 O MET A 43 -0.272 -2.886 -7.112 1.00 0.00 O ATOM 683 CB MET A 43 1.537 -2.456 -9.847 1.00 0.00 C ATOM 684 CG MET A 43 1.063 -2.086 -11.259 1.00 0.00 C ATOM 685 SD MET A 43 1.786 -3.113 -12.564 1.00 0.00 S ATOM 686 CE MET A 43 1.176 -2.243 -14.024 1.00 0.00 C ATOM 0 H MET A 43 1.904 -1.966 -6.982 1.00 0.00 H new ATOM 0 HA MET A 43 0.549 -0.655 -9.251 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.621 -2.354 -9.790 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.305 -3.502 -9.649 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.023 -2.171 -11.302 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.309 -1.042 -11.453 1.00 0.00 H new ATOM 0 HE1 MET A 43 1.531 -2.747 -14.923 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.086 -2.240 -14.017 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.542 -1.216 -14.015 1.00 0.00 H new ATOM 696 N LYS A 44 -1.515 -2.017 -8.784 1.00 0.00 N ATOM 697 CA LYS A 44 -2.811 -2.498 -8.307 1.00 0.00 C ATOM 698 C LYS A 44 -3.369 -3.504 -9.314 1.00 0.00 C ATOM 699 O LYS A 44 -3.114 -3.371 -10.509 1.00 0.00 O ATOM 700 CB LYS A 44 -3.751 -1.297 -8.082 1.00 0.00 C ATOM 701 CG LYS A 44 -4.756 -1.483 -6.930 1.00 0.00 C ATOM 702 CD LYS A 44 -6.149 -2.022 -7.278 1.00 0.00 C ATOM 703 CE LYS A 44 -7.016 -1.007 -8.038 1.00 0.00 C ATOM 704 NZ LYS A 44 -7.579 0.016 -7.140 1.00 0.00 N ATOM 0 H LYS A 44 -1.577 -1.496 -9.659 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.710 -3.011 -7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.148 -0.411 -7.882 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.303 -1.106 -9.002 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.308 -2.158 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.883 -0.519 -6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.043 -2.924 -7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.660 -2.311 -6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.417 -0.523 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.826 -1.530 -8.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.312 0.555 -7.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.999 -0.446 -6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.824 0.662 -6.833 1.00 0.00 H new ATOM 718 N LYS A 45 -4.105 -4.511 -8.842 1.00 0.00 N ATOM 719 CA LYS A 45 -4.674 -5.564 -9.668 1.00 0.00 C ATOM 720 C LYS A 45 -6.069 -5.931 -9.162 1.00 0.00 C ATOM 721 O LYS A 45 -6.494 -5.473 -8.099 1.00 0.00 O ATOM 722 CB LYS A 45 -3.728 -6.777 -9.676 1.00 0.00 C ATOM 723 CG LYS A 45 -3.784 -7.620 -8.389 1.00 0.00 C ATOM 724 CD LYS A 45 -4.331 -9.026 -8.668 1.00 0.00 C ATOM 725 CE LYS A 45 -3.249 -9.929 -9.268 1.00 0.00 C ATOM 726 NZ LYS A 45 -3.794 -11.250 -9.621 1.00 0.00 N ATOM 0 H LYS A 45 -4.324 -4.615 -7.851 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.782 -5.214 -10.695 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.975 -7.413 -10.526 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.706 -6.428 -9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.786 -7.695 -7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.414 -7.122 -7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.703 -9.465 -7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.176 -8.961 -9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.829 -9.457 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.434 -10.048 -8.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.039 -11.840 -10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.173 -11.708 -8.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.556 -11.136 -10.320 1.00 0.00 H new ATOM 740 N THR A 46 -6.755 -6.807 -9.895 1.00 0.00 N ATOM 741 CA THR A 46 -7.995 -7.416 -9.461 1.00 0.00 C ATOM 742 C THR A 46 -7.840 -8.937 -9.516 1.00 0.00 C ATOM 743 O THR A 46 -7.490 -9.498 -10.553 1.00 0.00 O ATOM 744 CB THR A 46 -9.145 -6.853 -10.302 1.00 0.00 C ATOM 745 OG1 THR A 46 -10.379 -7.172 -9.705 1.00 0.00 O ATOM 746 CG2 THR A 46 -9.151 -7.318 -11.762 1.00 0.00 C ATOM 0 H THR A 46 -6.454 -7.113 -10.820 1.00 0.00 H new ATOM 0 HA THR A 46 -8.237 -7.175 -8.426 1.00 0.00 H new ATOM 0 HB THR A 46 -8.989 -5.775 -10.326 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.245 -7.348 -8.750 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.998 -6.871 -12.283 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.224 -7.010 -12.246 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.235 -8.404 -11.798 1.00 0.00 H new ATOM 754 N ILE A 47 -7.994 -9.594 -8.367 1.00 0.00 N ATOM 755 CA ILE A 47 -7.942 -11.053 -8.292 1.00 0.00 C ATOM 756 C ILE A 47 -9.042 -11.702 -9.144 1.00 0.00 C ATOM 757 O ILE A 47 -10.166 -11.203 -9.212 1.00 0.00 O ATOM 758 CB ILE A 47 -7.980 -11.542 -6.833 1.00 0.00 C ATOM 759 CG1 ILE A 47 -8.010 -13.082 -6.782 1.00 0.00 C ATOM 760 CG2 ILE A 47 -9.200 -10.975 -6.107 1.00 0.00 C ATOM 761 CD1 ILE A 47 -7.728 -13.631 -5.379 1.00 0.00 C ATOM 0 H ILE A 47 -8.157 -9.135 -7.471 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.987 -11.370 -8.712 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.078 -11.189 -6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.986 -13.434 -7.116 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.272 -13.479 -7.479 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.209 -11.332 -5.077 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.153 -9.886 -6.113 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.109 -11.302 -6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.762 -14.720 -5.401 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.741 -13.305 -5.052 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.481 -13.259 -4.684 1.00 0.00 H new ATOM 773 N TYR A 48 -8.711 -12.847 -9.751 1.00 0.00 N ATOM 774 CA TYR A 48 -9.628 -13.689 -10.505 1.00 0.00 C ATOM 775 C TYR A 48 -9.989 -14.918 -9.671 1.00 0.00 C ATOM 776 O TYR A 48 -9.252 -15.315 -8.769 1.00 0.00 O ATOM 777 CB TYR A 48 -8.974 -14.129 -11.820 1.00 0.00 C ATOM 778 CG TYR A 48 -8.149 -13.072 -12.526 1.00 0.00 C ATOM 779 CD1 TYR A 48 -8.738 -11.838 -12.832 1.00 0.00 C ATOM 780 CD2 TYR A 48 -6.788 -13.289 -12.815 1.00 0.00 C ATOM 781 CE1 TYR A 48 -7.984 -10.827 -13.452 1.00 0.00 C ATOM 782 CE2 TYR A 48 -6.029 -12.277 -13.426 1.00 0.00 C ATOM 783 CZ TYR A 48 -6.627 -11.043 -13.740 1.00 0.00 C ATOM 784 OH TYR A 48 -5.900 -10.069 -14.359 1.00 0.00 O ATOM 0 H TYR A 48 -7.762 -13.220 -9.726 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.532 -13.124 -10.732 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.335 -14.988 -11.617 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.757 -14.467 -12.499 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.776 -11.663 -12.590 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.327 -14.234 -12.567 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.448 -9.885 -13.707 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.987 -12.446 -13.655 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.978 -10.378 -14.484 1.00 0.00 H new ATOM 794 N GLU A 49 -11.104 -15.565 -10.005 1.00 0.00 N ATOM 795 CA GLU A 49 -11.723 -16.617 -9.211 1.00 0.00 C ATOM 796 C GLU A 49 -11.099 -17.975 -9.558 1.00 0.00 C ATOM 797 O GLU A 49 -11.802 -18.936 -9.855 1.00 0.00 O ATOM 798 CB GLU A 49 -13.241 -16.547 -9.451 1.00 0.00 C ATOM 799 CG GLU A 49 -14.087 -16.905 -8.221 1.00 0.00 C ATOM 800 CD GLU A 49 -14.047 -18.390 -7.880 1.00 0.00 C ATOM 801 OE1 GLU A 49 -14.911 -19.116 -8.421 1.00 0.00 O ATOM 802 OE2 GLU A 49 -13.170 -18.760 -7.069 1.00 0.00 O ATOM 0 H GLU A 49 -11.616 -15.363 -10.864 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.545 -16.482 -8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.501 -15.540 -9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.501 -17.222 -10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.733 -16.332 -7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.120 -16.607 -8.399 1.00 0.00 H new ATOM 809 N ASN A 50 -9.765 -18.025 -9.512 1.00 0.00 N ATOM 810 CA ASN A 50 -8.944 -19.207 -9.779 1.00 0.00 C ATOM 811 C ASN A 50 -9.198 -19.753 -11.186 1.00 0.00 C ATOM 812 O ASN A 50 -9.928 -20.727 -11.360 1.00 0.00 O ATOM 813 CB ASN A 50 -9.163 -20.290 -8.713 1.00 0.00 C ATOM 814 CG ASN A 50 -8.303 -21.518 -9.007 1.00 0.00 C ATOM 815 OD1 ASN A 50 -7.099 -21.398 -9.209 1.00 0.00 O ATOM 816 ND2 ASN A 50 -8.901 -22.705 -9.042 1.00 0.00 N ATOM 0 H ASN A 50 -9.204 -17.206 -9.277 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.899 -18.901 -9.728 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.915 -19.894 -7.728 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.215 -20.574 -8.687 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.357 -23.545 -9.241 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.904 -22.776 -8.870 1.00 0.00 H new ATOM 823 N GLU A 51 -8.580 -19.127 -12.197 1.00 0.00 N ATOM 824 CA GLU A 51 -8.914 -19.376 -13.595 1.00 0.00 C ATOM 825 C GLU A 51 -10.409 -19.091 -13.802 1.00 0.00 C ATOM 826 O GLU A 51 -11.016 -18.370 -13.008 1.00 0.00 O ATOM 827 CB GLU A 51 -8.448 -20.785 -14.032 1.00 0.00 C ATOM 828 CG GLU A 51 -7.098 -20.717 -14.755 1.00 0.00 C ATOM 829 CD GLU A 51 -6.678 -22.092 -15.267 1.00 0.00 C ATOM 830 OE1 GLU A 51 -6.150 -22.868 -14.443 1.00 0.00 O ATOM 831 OE2 GLU A 51 -6.908 -22.342 -16.471 1.00 0.00 O ATOM 0 H GLU A 51 -7.839 -18.438 -12.064 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.373 -18.699 -14.256 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.365 -21.432 -13.158 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.194 -21.231 -14.689 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.164 -20.019 -15.590 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.338 -20.331 -14.076 1.00 0.00 H new ATOM 838 N GLY A 52 -11.004 -19.551 -14.907 1.00 0.00 N ATOM 839 CA GLY A 52 -12.435 -19.431 -15.150 1.00 0.00 C ATOM 840 C GLY A 52 -12.872 -18.020 -15.549 1.00 0.00 C ATOM 841 O GLY A 52 -13.818 -17.872 -16.318 1.00 0.00 O ATOM 0 H GLY A 52 -10.499 -20.019 -15.659 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.721 -20.127 -15.938 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.974 -19.729 -14.251 1.00 0.00 H new ATOM 845 N PHE A 53 -12.198 -16.988 -15.032 1.00 0.00 N ATOM 846 CA PHE A 53 -12.533 -15.588 -15.232 1.00 0.00 C ATOM 847 C PHE A 53 -13.951 -15.307 -14.736 1.00 0.00 C ATOM 848 O PHE A 53 -14.741 -14.655 -15.414 1.00 0.00 O ATOM 849 CB PHE A 53 -12.358 -15.196 -16.700 1.00 0.00 C ATOM 850 CG PHE A 53 -11.027 -15.599 -17.306 1.00 0.00 C ATOM 851 CD1 PHE A 53 -9.853 -14.905 -16.961 1.00 0.00 C ATOM 852 CD2 PHE A 53 -10.955 -16.710 -18.168 1.00 0.00 C ATOM 853 CE1 PHE A 53 -8.617 -15.299 -17.501 1.00 0.00 C ATOM 854 CE2 PHE A 53 -9.717 -17.111 -18.699 1.00 0.00 C ATOM 855 CZ PHE A 53 -8.548 -16.402 -18.370 1.00 0.00 C ATOM 0 H PHE A 53 -11.376 -17.117 -14.443 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.848 -14.974 -14.647 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -13.160 -15.650 -17.282 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.471 -14.116 -16.790 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -9.902 -14.068 -16.280 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.852 -17.255 -18.422 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.719 -14.754 -17.248 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.664 -17.964 -19.360 1.00 0.00 H new ATOM 0 HZ PHE A 53 -7.598 -16.705 -18.785 1.00 0.00 H new ATOM 865 N ARG A 54 -14.260 -15.813 -13.539 1.00 0.00 N ATOM 866 CA ARG A 54 -15.551 -15.576 -12.906 1.00 0.00 C ATOM 867 C ARG A 54 -15.598 -14.145 -12.355 1.00 0.00 C ATOM 868 O ARG A 54 -14.671 -13.360 -12.554 1.00 0.00 O ATOM 869 CB ARG A 54 -15.784 -16.615 -11.797 1.00 0.00 C ATOM 870 CG ARG A 54 -17.257 -17.009 -11.611 1.00 0.00 C ATOM 871 CD ARG A 54 -17.515 -18.432 -12.117 1.00 0.00 C ATOM 872 NE ARG A 54 -18.902 -18.840 -11.856 1.00 0.00 N ATOM 873 CZ ARG A 54 -19.381 -19.225 -10.663 1.00 0.00 C ATOM 874 NH1 ARG A 54 -18.583 -19.277 -9.590 1.00 0.00 N ATOM 875 NH2 ARG A 54 -20.671 -19.557 -10.553 1.00 0.00 N ATOM 0 H ARG A 54 -13.626 -16.393 -12.989 1.00 0.00 H new ATOM 0 HA ARG A 54 -16.350 -15.683 -13.640 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.205 -17.510 -12.024 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.403 -16.219 -10.856 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -17.525 -16.940 -10.557 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -17.895 -16.307 -12.148 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -17.312 -18.484 -13.187 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.830 -19.125 -11.629 1.00 0.00 H new ATOM 0 HE ARG A 54 -19.551 -18.830 -12.643 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.599 -19.022 -9.674 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.959 -19.571 -8.689 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -21.280 -19.516 -11.371 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -21.047 -19.851 -9.652 1.00 0.00 H new ATOM 889 N GLU A 55 -16.669 -13.823 -11.624 1.00 0.00 N ATOM 890 CA GLU A 55 -16.806 -12.549 -10.936 1.00 0.00 C ATOM 891 C GLU A 55 -15.562 -12.265 -10.089 1.00 0.00 C ATOM 892 O GLU A 55 -15.073 -13.138 -9.370 1.00 0.00 O ATOM 893 CB GLU A 55 -18.081 -12.550 -10.079 1.00 0.00 C ATOM 894 CG GLU A 55 -18.374 -11.163 -9.487 1.00 0.00 C ATOM 895 CD GLU A 55 -19.658 -11.172 -8.662 1.00 0.00 C ATOM 896 OE1 GLU A 55 -20.730 -11.004 -9.283 1.00 0.00 O ATOM 897 OE2 GLU A 55 -19.545 -11.357 -7.432 1.00 0.00 O ATOM 0 H GLU A 55 -17.466 -14.446 -11.496 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.894 -11.751 -11.673 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.927 -12.871 -10.687 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -17.975 -13.274 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.539 -10.849 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -18.461 -10.433 -10.292 1.00 0.00 H new ATOM 904 N ILE A 56 -15.069 -11.032 -10.186 1.00 0.00 N ATOM 905 CA ILE A 56 -13.958 -10.514 -9.406 1.00 0.00 C ATOM 906 C ILE A 56 -14.238 -10.717 -7.914 1.00 0.00 C ATOM 907 O ILE A 56 -15.298 -10.328 -7.429 1.00 0.00 O ATOM 908 CB ILE A 56 -13.798 -9.025 -9.763 1.00 0.00 C ATOM 909 CG1 ILE A 56 -13.182 -8.897 -11.170 1.00 0.00 C ATOM 910 CG2 ILE A 56 -12.941 -8.289 -8.729 1.00 0.00 C ATOM 911 CD1 ILE A 56 -13.465 -7.536 -11.810 1.00 0.00 C ATOM 0 H ILE A 56 -15.450 -10.344 -10.836 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.030 -11.040 -9.632 1.00 0.00 H new ATOM 0 HB ILE A 56 -14.784 -8.560 -9.756 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.104 -9.049 -11.107 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -13.578 -9.686 -11.810 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -12.849 -7.241 -9.013 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -13.413 -8.360 -7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -11.950 -8.742 -8.689 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -13.009 -7.497 -12.800 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -14.542 -7.393 -11.900 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -13.045 -6.746 -11.187 1.00 0.00 H new ATOM 923 N LYS A 57 -13.272 -11.279 -7.177 1.00 0.00 N ATOM 924 CA LYS A 57 -13.410 -11.458 -5.736 1.00 0.00 C ATOM 925 C LYS A 57 -13.105 -10.141 -5.010 1.00 0.00 C ATOM 926 O LYS A 57 -13.661 -9.865 -3.946 1.00 0.00 O ATOM 927 CB LYS A 57 -12.495 -12.593 -5.246 1.00 0.00 C ATOM 928 CG LYS A 57 -13.061 -13.293 -4.003 1.00 0.00 C ATOM 929 CD LYS A 57 -14.081 -14.373 -4.394 1.00 0.00 C ATOM 930 CE LYS A 57 -14.677 -15.034 -3.148 1.00 0.00 C ATOM 931 NZ LYS A 57 -15.534 -16.178 -3.509 1.00 0.00 N ATOM 0 H LYS A 57 -12.388 -11.616 -7.560 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.438 -11.739 -5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.364 -13.323 -6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.508 -12.190 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.248 -13.745 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.536 -12.558 -3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.877 -13.929 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.599 -15.127 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.874 -15.371 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.260 -14.302 -2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.924 -16.606 -2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.313 -15.850 -4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.970 -16.886 -4.022 1.00 0.00 H new ATOM 945 N GLY A 58 -12.240 -9.306 -5.592 1.00 0.00 N ATOM 946 CA GLY A 58 -11.960 -7.983 -5.070 1.00 0.00 C ATOM 947 C GLY A 58 -10.786 -7.337 -5.789 1.00 0.00 C ATOM 948 O GLY A 58 -10.381 -7.753 -6.877 1.00 0.00 O ATOM 0 H GLY A 58 -11.719 -9.536 -6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.844 -7.354 -5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.743 -8.050 -4.004 1.00 0.00 H new ATOM 952 N TYR A 59 -10.245 -6.306 -5.145 1.00 0.00 N ATOM 953 CA TYR A 59 -8.994 -5.683 -5.535 1.00 0.00 C ATOM 954 C TYR A 59 -7.860 -6.360 -4.796 1.00 0.00 C ATOM 955 O TYR A 59 -8.075 -6.945 -3.737 1.00 0.00 O ATOM 956 CB TYR A 59 -9.027 -4.177 -5.198 1.00 0.00 C ATOM 957 CG TYR A 59 -9.905 -3.389 -6.158 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.683 -3.487 -7.545 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.023 -2.671 -5.691 1.00 0.00 C ATOM 960 CE1 TYR A 59 -10.523 -2.828 -8.455 1.00 0.00 C ATOM 961 CE2 TYR A 59 -11.880 -2.030 -6.603 1.00 0.00 C ATOM 962 CZ TYR A 59 -11.628 -2.104 -7.984 1.00 0.00 C ATOM 963 OH TYR A 59 -12.467 -1.490 -8.864 1.00 0.00 O ATOM 0 H TYR A 59 -10.674 -5.877 -4.325 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.846 -5.792 -6.609 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.394 -4.043 -4.180 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.013 -3.778 -5.226 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.856 -4.077 -7.913 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.222 -2.613 -4.631 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.320 -2.878 -9.514 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.735 -1.479 -6.241 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.181 -1.034 -8.371 1.00 0.00 H new ATOM 973 N GLU A 60 -6.659 -6.276 -5.359 1.00 0.00 N ATOM 974 CA GLU A 60 -5.440 -6.599 -4.666 1.00 0.00 C ATOM 975 C GLU A 60 -4.468 -5.465 -4.976 1.00 0.00 C ATOM 976 O GLU A 60 -4.436 -4.964 -6.098 1.00 0.00 O ATOM 977 CB GLU A 60 -4.898 -7.955 -5.121 1.00 0.00 C ATOM 978 CG GLU A 60 -5.045 -9.040 -4.048 1.00 0.00 C ATOM 979 CD GLU A 60 -4.459 -10.382 -4.477 1.00 0.00 C ATOM 980 OE1 GLU A 60 -3.655 -10.386 -5.435 1.00 0.00 O ATOM 981 OE2 GLU A 60 -4.823 -11.387 -3.828 1.00 0.00 O ATOM 0 H GLU A 60 -6.515 -5.976 -6.323 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.598 -6.688 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.424 -8.268 -6.023 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.846 -7.851 -5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.552 -8.709 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.101 -9.169 -3.811 1.00 0.00 H new ATOM 988 N TYR A 61 -3.682 -5.067 -3.986 1.00 0.00 N ATOM 989 CA TYR A 61 -2.614 -4.098 -4.145 1.00 0.00 C ATOM 990 C TYR A 61 -1.314 -4.869 -4.009 1.00 0.00 C ATOM 991 O TYR A 61 -1.075 -5.437 -2.943 1.00 0.00 O ATOM 992 CB TYR A 61 -2.713 -3.023 -3.059 1.00 0.00 C ATOM 993 CG TYR A 61 -4.059 -2.338 -2.949 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.352 -1.220 -3.746 1.00 0.00 C ATOM 995 CD2 TYR A 61 -4.963 -2.731 -1.950 1.00 0.00 C ATOM 996 CE1 TYR A 61 -5.593 -0.572 -3.625 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.183 -2.056 -1.798 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.505 -0.982 -2.641 1.00 0.00 C ATOM 999 OH TYR A 61 -7.670 -0.302 -2.461 1.00 0.00 O ATOM 0 H TYR A 61 -3.773 -5.417 -3.032 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.673 -3.595 -5.110 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.475 -3.478 -2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.953 -2.266 -3.250 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.622 -0.857 -4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.719 -3.555 -1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.845 0.241 -4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.877 -2.364 -1.030 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.954 0.091 -3.313 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.502 -4.906 -5.070 1.00 0.00 N ATOM 1010 CA GLN A 62 0.820 -5.499 -5.029 1.00 0.00 C ATOM 1011 C GLN A 62 1.776 -4.358 -4.720 1.00 0.00 C ATOM 1012 O GLN A 62 2.175 -3.599 -5.609 1.00 0.00 O ATOM 1013 CB GLN A 62 1.137 -6.171 -6.368 1.00 0.00 C ATOM 1014 CG GLN A 62 2.503 -6.882 -6.350 1.00 0.00 C ATOM 1015 CD GLN A 62 3.456 -6.372 -7.431 1.00 0.00 C ATOM 1016 OE1 GLN A 62 4.000 -7.154 -8.203 1.00 0.00 O ATOM 1017 NE2 GLN A 62 3.677 -5.063 -7.496 1.00 0.00 N ATOM 0 H GLN A 62 -0.753 -4.521 -5.981 1.00 0.00 H new ATOM 0 HA GLN A 62 0.902 -6.279 -4.272 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.356 -6.893 -6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.129 -5.422 -7.160 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.965 -6.745 -5.372 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.351 -7.953 -6.483 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.212 -4.434 -6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.312 -4.687 -8.200 1.00 0.00 H new ATOM 1026 N LEU A 63 2.114 -4.235 -3.443 1.00 0.00 N ATOM 1027 CA LEU A 63 2.972 -3.188 -2.935 1.00 0.00 C ATOM 1028 C LEU A 63 4.171 -3.864 -2.313 1.00 0.00 C ATOM 1029 O LEU A 63 4.052 -4.835 -1.573 1.00 0.00 O ATOM 1030 CB LEU A 63 2.213 -2.291 -1.967 1.00 0.00 C ATOM 1031 CG LEU A 63 1.635 -3.097 -0.799 1.00 0.00 C ATOM 1032 CD1 LEU A 63 2.448 -2.845 0.470 1.00 0.00 C ATOM 1033 CD2 LEU A 63 0.182 -2.685 -0.612 1.00 0.00 C ATOM 0 H LEU A 63 1.789 -4.878 -2.721 1.00 0.00 H new ATOM 0 HA LEU A 63 3.312 -2.524 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.880 -1.519 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.407 -1.782 -2.495 1.00 0.00 H new ATOM 0 HG LEU A 63 1.686 -4.165 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.027 -3.423 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.482 -3.147 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.415 -1.784 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.252 -3.246 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.132 -1.618 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.376 -2.895 -1.525 1.00 0.00 H new ATOM 1045 N TYR A 64 5.343 -3.371 -2.664 1.00 0.00 N ATOM 1046 CA TYR A 64 6.555 -4.126 -2.479 1.00 0.00 C ATOM 1047 C TYR A 64 7.413 -3.448 -1.408 1.00 0.00 C ATOM 1048 O TYR A 64 8.136 -2.488 -1.683 1.00 0.00 O ATOM 1049 CB TYR A 64 7.188 -4.216 -3.873 1.00 0.00 C ATOM 1050 CG TYR A 64 7.151 -5.587 -4.537 1.00 0.00 C ATOM 1051 CD1 TYR A 64 7.555 -6.730 -3.826 1.00 0.00 C ATOM 1052 CD2 TYR A 64 6.827 -5.710 -5.904 1.00 0.00 C ATOM 1053 CE1 TYR A 64 7.666 -7.973 -4.472 1.00 0.00 C ATOM 1054 CE2 TYR A 64 6.896 -6.963 -6.540 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.318 -8.095 -5.824 1.00 0.00 C ATOM 1056 OH TYR A 64 7.392 -9.314 -6.428 1.00 0.00 O ATOM 0 H TYR A 64 5.476 -2.449 -3.079 1.00 0.00 H new ATOM 0 HA TYR A 64 6.408 -5.138 -2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.683 -3.504 -4.526 1.00 0.00 H new ATOM 0 HB3 TYR A 64 8.228 -3.898 -3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.782 -6.652 -2.773 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.525 -4.838 -6.465 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.020 -8.835 -3.926 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.624 -7.055 -7.581 1.00 0.00 H new ATOM 0 HH TYR A 64 7.117 -9.232 -7.365 1.00 0.00 H new ATOM 1066 N VAL A 65 7.275 -3.921 -0.167 1.00 0.00 N ATOM 1067 CA VAL A 65 7.896 -3.310 0.997 1.00 0.00 C ATOM 1068 C VAL A 65 9.328 -3.835 1.160 1.00 0.00 C ATOM 1069 O VAL A 65 9.556 -5.043 1.228 1.00 0.00 O ATOM 1070 CB VAL A 65 6.980 -3.459 2.228 1.00 0.00 C ATOM 1071 CG1 VAL A 65 6.847 -4.894 2.747 1.00 0.00 C ATOM 1072 CG2 VAL A 65 7.429 -2.526 3.356 1.00 0.00 C ATOM 0 H VAL A 65 6.721 -4.749 0.054 1.00 0.00 H new ATOM 0 HA VAL A 65 8.006 -2.233 0.866 1.00 0.00 H new ATOM 0 HB VAL A 65 5.986 -3.172 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.186 -4.908 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.432 -5.527 1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.829 -5.269 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.768 -2.648 4.214 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.450 -2.772 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.389 -1.493 3.011 1.00 0.00 H new ATOM 1082 N TYR A 66 10.303 -2.923 1.199 1.00 0.00 N ATOM 1083 CA TYR A 66 11.685 -3.266 1.446 1.00 0.00 C ATOM 1084 C TYR A 66 11.843 -3.406 2.953 1.00 0.00 C ATOM 1085 O TYR A 66 11.428 -2.525 3.711 1.00 0.00 O ATOM 1086 CB TYR A 66 12.613 -2.168 0.902 1.00 0.00 C ATOM 1087 CG TYR A 66 13.133 -2.335 -0.512 1.00 0.00 C ATOM 1088 CD1 TYR A 66 13.724 -3.552 -0.886 1.00 0.00 C ATOM 1089 CD2 TYR A 66 13.261 -1.215 -1.356 1.00 0.00 C ATOM 1090 CE1 TYR A 66 14.405 -3.667 -2.108 1.00 0.00 C ATOM 1091 CE2 TYR A 66 13.954 -1.325 -2.575 1.00 0.00 C ATOM 1092 CZ TYR A 66 14.500 -2.560 -2.964 1.00 0.00 C ATOM 1093 OH TYR A 66 15.119 -2.691 -4.172 1.00 0.00 O ATOM 0 H TYR A 66 10.144 -1.925 1.058 1.00 0.00 H new ATOM 0 HA TYR A 66 11.954 -4.195 0.943 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.080 -1.219 0.955 1.00 0.00 H new ATOM 0 HB3 TYR A 66 13.471 -2.090 1.570 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.654 -4.406 -0.229 1.00 0.00 H new ATOM 0 HD2 TYR A 66 12.826 -0.270 -1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.856 -4.607 -2.389 1.00 0.00 H new ATOM 0 HE2 TYR A 66 14.066 -0.460 -3.212 1.00 0.00 H new ATOM 0 HH TYR A 66 15.099 -1.833 -4.644 1.00 0.00 H new ATOM 1103 N ALA A 67 12.421 -4.520 3.396 1.00 0.00 N ATOM 1104 CA ALA A 67 12.478 -4.841 4.807 1.00 0.00 C ATOM 1105 C ALA A 67 13.669 -5.760 5.044 1.00 0.00 C ATOM 1106 O ALA A 67 13.875 -6.686 4.269 1.00 0.00 O ATOM 1107 CB ALA A 67 11.134 -5.438 5.233 1.00 0.00 C ATOM 0 H ALA A 67 12.857 -5.214 2.789 1.00 0.00 H new ATOM 0 HA ALA A 67 12.633 -3.957 5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.165 -5.684 6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.340 -4.713 5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.939 -6.342 4.657 1.00 0.00 H new ATOM 1113 N SER A 68 14.514 -5.475 6.041 1.00 0.00 N ATOM 1114 CA SER A 68 15.814 -6.138 6.193 1.00 0.00 C ATOM 1115 C SER A 68 16.667 -6.047 4.920 1.00 0.00 C ATOM 1116 O SER A 68 17.534 -6.886 4.693 1.00 0.00 O ATOM 1117 CB SER A 68 15.684 -7.585 6.703 1.00 0.00 C ATOM 1118 OG SER A 68 15.689 -7.584 8.112 1.00 0.00 O ATOM 0 H SER A 68 14.317 -4.781 6.762 1.00 0.00 H new ATOM 0 HA SER A 68 16.348 -5.587 6.967 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.762 -8.032 6.331 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.507 -8.191 6.325 1.00 0.00 H new ATOM 0 HG SER A 68 15.605 -8.504 8.440 1.00 0.00 H new ATOM 1124 N ASP A 69 16.412 -5.040 4.077 1.00 0.00 N ATOM 1125 CA ASP A 69 17.020 -4.904 2.757 1.00 0.00 C ATOM 1126 C ASP A 69 16.750 -6.135 1.871 1.00 0.00 C ATOM 1127 O ASP A 69 17.463 -6.381 0.902 1.00 0.00 O ATOM 1128 CB ASP A 69 18.512 -4.569 2.897 1.00 0.00 C ATOM 1129 CG ASP A 69 19.171 -4.205 1.569 1.00 0.00 C ATOM 1130 OD1 ASP A 69 18.604 -3.332 0.876 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.242 -4.785 1.284 1.00 0.00 O ATOM 0 H ASP A 69 15.764 -4.285 4.301 1.00 0.00 H new ATOM 0 HA ASP A 69 16.550 -4.070 2.237 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.628 -3.738 3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 69 19.031 -5.424 3.331 1.00 0.00 H new ATOM 1136 N LYS A 70 15.702 -6.899 2.191 1.00 0.00 N ATOM 1137 CA LYS A 70 15.149 -7.935 1.342 1.00 0.00 C ATOM 1138 C LYS A 70 13.874 -7.337 0.773 1.00 0.00 C ATOM 1139 O LYS A 70 13.249 -6.471 1.396 1.00 0.00 O ATOM 1140 CB LYS A 70 14.806 -9.231 2.102 1.00 0.00 C ATOM 1141 CG LYS A 70 15.641 -9.531 3.350 1.00 0.00 C ATOM 1142 CD LYS A 70 17.162 -9.546 3.167 1.00 0.00 C ATOM 1143 CE LYS A 70 17.685 -10.669 2.260 1.00 0.00 C ATOM 1144 NZ LYS A 70 17.623 -10.306 0.833 1.00 0.00 N ATOM 0 H LYS A 70 15.206 -6.803 3.077 1.00 0.00 H new ATOM 0 HA LYS A 70 15.879 -8.222 0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.757 -9.187 2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.910 -10.069 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.396 -8.790 4.111 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.335 -10.502 3.740 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.475 -8.587 2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.632 -9.639 4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.715 -10.901 2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.100 -11.573 2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.387 -10.789 0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.705 -10.596 0.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.733 -9.277 0.731 1.00 0.00 H new ATOM 1158 N LEU A 71 13.482 -7.802 -0.407 1.00 0.00 N ATOM 1159 CA LEU A 71 12.294 -7.314 -1.060 1.00 0.00 C ATOM 1160 C LEU A 71 11.176 -8.297 -0.704 1.00 0.00 C ATOM 1161 O LEU A 71 10.880 -9.246 -1.425 1.00 0.00 O ATOM 1162 CB LEU A 71 12.628 -7.108 -2.545 1.00 0.00 C ATOM 1163 CG LEU A 71 11.901 -5.897 -3.140 1.00 0.00 C ATOM 1164 CD1 LEU A 71 12.526 -5.527 -4.489 1.00 0.00 C ATOM 1165 CD2 LEU A 71 10.432 -6.212 -3.302 1.00 0.00 C ATOM 0 H LEU A 71 13.981 -8.523 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 71 11.935 -6.337 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 71 13.704 -6.975 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.356 -8.003 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 71 12.002 -5.046 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.005 -4.666 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.578 -5.281 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.440 -6.371 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.919 -5.348 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.314 -7.066 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.001 -6.449 -2.329 1.00 0.00 H new ATOM 1177 N PHE A 72 10.590 -8.109 0.481 1.00 0.00 N ATOM 1178 CA PHE A 72 9.449 -8.896 0.915 1.00 0.00 C ATOM 1179 C PHE A 72 8.264 -8.520 0.031 1.00 0.00 C ATOM 1180 O PHE A 72 7.905 -7.346 -0.057 1.00 0.00 O ATOM 1181 CB PHE A 72 9.153 -8.621 2.394 1.00 0.00 C ATOM 1182 CG PHE A 72 10.087 -9.320 3.361 1.00 0.00 C ATOM 1183 CD1 PHE A 72 9.826 -10.630 3.806 1.00 0.00 C ATOM 1184 CD2 PHE A 72 11.213 -8.636 3.834 1.00 0.00 C ATOM 1185 CE1 PHE A 72 10.705 -11.250 4.712 1.00 0.00 C ATOM 1186 CE2 PHE A 72 12.118 -9.261 4.716 1.00 0.00 C ATOM 1187 CZ PHE A 72 11.857 -10.571 5.157 1.00 0.00 C ATOM 0 H PHE A 72 10.896 -7.410 1.158 1.00 0.00 H new ATOM 0 HA PHE A 72 9.652 -9.963 0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.207 -7.546 2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.130 -8.928 2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.953 -11.158 3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.390 -7.618 3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 72 10.497 -12.248 5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.003 -8.739 5.050 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.540 -11.057 5.838 1.00 0.00 H new ATOM 1197 N ARG A 73 7.647 -9.501 -0.631 1.00 0.00 N ATOM 1198 CA ARG A 73 6.430 -9.229 -1.361 1.00 0.00 C ATOM 1199 C ARG A 73 5.344 -8.900 -0.349 1.00 0.00 C ATOM 1200 O ARG A 73 5.335 -9.455 0.749 1.00 0.00 O ATOM 1201 CB ARG A 73 6.047 -10.408 -2.263 1.00 0.00 C ATOM 1202 CG ARG A 73 4.910 -10.008 -3.212 1.00 0.00 C ATOM 1203 CD ARG A 73 4.587 -11.153 -4.177 1.00 0.00 C ATOM 1204 NE ARG A 73 3.317 -10.901 -4.867 1.00 0.00 N ATOM 1205 CZ ARG A 73 2.638 -11.809 -5.583 1.00 0.00 C ATOM 1206 NH1 ARG A 73 3.197 -12.982 -5.896 1.00 0.00 N ATOM 1207 NH2 ARG A 73 1.388 -11.532 -5.964 1.00 0.00 N ATOM 0 H ARG A 73 7.970 -10.468 -0.671 1.00 0.00 H new ATOM 0 HA ARG A 73 6.570 -8.379 -2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.914 -10.730 -2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.738 -11.256 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.022 -9.749 -2.636 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.195 -9.119 -3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.390 -11.258 -4.907 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.529 -12.093 -3.629 1.00 0.00 H new ATOM 0 HE ARG A 73 2.920 -9.964 -4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.147 -13.192 -5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 73 2.674 -13.667 -6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.963 -10.640 -5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 73 0.858 -12.212 -6.509 1.00 0.00 H new ATOM 1221 N ALA A 74 4.421 -8.008 -0.699 1.00 0.00 N ATOM 1222 CA ALA A 74 3.236 -7.819 0.102 1.00 0.00 C ATOM 1223 C ALA A 74 2.047 -7.555 -0.822 1.00 0.00 C ATOM 1224 O ALA A 74 2.081 -6.678 -1.684 1.00 0.00 O ATOM 1225 CB ALA A 74 3.475 -6.745 1.165 1.00 0.00 C ATOM 0 H ALA A 74 4.478 -7.414 -1.526 1.00 0.00 H new ATOM 0 HA ALA A 74 2.994 -8.720 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.571 -6.615 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.296 -7.051 1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.728 -5.803 0.679 1.00 0.00 H new ATOM 1231 N ASP A 75 1.004 -8.369 -0.668 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.244 -8.227 -1.387 1.00 0.00 C ATOM 1233 C ASP A 75 -1.295 -7.910 -0.335 1.00 0.00 C ATOM 1234 O ASP A 75 -1.363 -8.610 0.670 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.582 -9.524 -2.128 1.00 0.00 C ATOM 1236 CG ASP A 75 0.519 -9.919 -3.103 1.00 0.00 C ATOM 1237 OD1 ASP A 75 0.446 -9.483 -4.273 1.00 0.00 O ATOM 1238 OD2 ASP A 75 1.424 -10.653 -2.650 1.00 0.00 O ATOM 0 H ASP A 75 1.011 -9.160 -0.024 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.191 -7.440 -2.140 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.734 -10.326 -1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.520 -9.400 -2.669 1.00 0.00 H new ATOM 1243 N ILE A 76 -2.101 -6.870 -0.525 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.281 -6.670 0.309 1.00 0.00 C ATOM 1245 C ILE A 76 -4.474 -6.897 -0.587 1.00 0.00 C ATOM 1246 O ILE A 76 -4.597 -6.206 -1.593 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.288 -5.269 0.933 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -2.229 -5.159 2.042 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -4.678 -4.888 1.480 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -2.393 -6.228 3.129 1.00 0.00 C ATOM 0 H ILE A 76 -1.961 -6.159 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.296 -7.364 1.150 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.041 -4.564 0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.236 -5.246 1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.289 -4.171 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.637 -3.888 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.405 -4.902 0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.976 -5.603 2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.618 -6.101 3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.373 -6.126 3.594 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.304 -7.218 2.682 1.00 0.00 H new ATOM 1262 N SER A 77 -5.324 -7.864 -0.236 1.00 0.00 N ATOM 1263 CA SER A 77 -6.568 -8.106 -0.938 1.00 0.00 C ATOM 1264 C SER A 77 -7.646 -7.239 -0.311 1.00 0.00 C ATOM 1265 O SER A 77 -7.544 -6.870 0.858 1.00 0.00 O ATOM 1266 CB SER A 77 -6.942 -9.590 -0.891 1.00 0.00 C ATOM 1267 OG SER A 77 -8.030 -9.882 -1.756 1.00 0.00 O ATOM 0 H SER A 77 -5.161 -8.498 0.546 1.00 0.00 H new ATOM 0 HA SER A 77 -6.460 -7.844 -1.990 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.079 -10.193 -1.174 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.203 -9.868 0.130 1.00 0.00 H new ATOM 0 HG SER A 77 -8.242 -10.837 -1.703 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.683 -6.948 -1.088 1.00 0.00 N ATOM 1274 CA GLU A 78 -9.914 -6.351 -0.642 1.00 0.00 C ATOM 1275 C GLU A 78 -11.054 -7.311 -0.942 1.00 0.00 C ATOM 1276 O GLU A 78 -10.858 -8.332 -1.600 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.130 -5.017 -1.360 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.029 -4.006 -1.034 1.00 0.00 C ATOM 1279 CD GLU A 78 -9.540 -2.581 -1.225 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -10.042 -2.310 -2.337 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -9.444 -1.798 -0.255 1.00 0.00 O ATOM 0 H GLU A 78 -8.677 -7.135 -2.091 1.00 0.00 H new ATOM 0 HA GLU A 78 -9.875 -6.159 0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.160 -5.185 -2.436 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.098 -4.604 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -8.693 -4.144 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.166 -4.179 -1.677 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.241 -6.946 -0.460 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.496 -7.616 -0.747 1.00 0.00 C ATOM 1290 C ASP A 79 -14.286 -6.772 -1.750 1.00 0.00 C ATOM 1291 O ASP A 79 -14.713 -5.670 -1.395 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.270 -7.768 0.570 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.592 -8.514 0.408 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -15.926 -8.873 -0.743 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.256 -8.699 1.450 1.00 0.00 O ATOM 0 H ASP A 79 -12.353 -6.146 0.163 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.328 -8.603 -1.179 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.647 -8.298 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.467 -6.779 0.985 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.510 -7.306 -2.961 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.377 -6.727 -3.990 1.00 0.00 C ATOM 1302 C TYR A 80 -16.662 -6.147 -3.405 1.00 0.00 C ATOM 1303 O TYR A 80 -17.131 -5.113 -3.872 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.761 -7.785 -5.037 1.00 0.00 C ATOM 1305 CG TYR A 80 -16.667 -7.263 -6.138 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -16.107 -6.622 -7.259 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -18.067 -7.311 -5.991 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -16.940 -6.046 -8.231 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -18.899 -6.701 -6.945 1.00 0.00 C ATOM 1310 CZ TYR A 80 -18.334 -6.065 -8.063 1.00 0.00 C ATOM 1311 OH TYR A 80 -19.133 -5.453 -8.982 1.00 0.00 O ATOM 0 H TYR A 80 -14.077 -8.181 -3.257 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.805 -5.922 -4.453 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -14.851 -8.183 -5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.258 -8.615 -4.535 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -15.034 -6.573 -7.372 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.502 -7.818 -5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -16.508 -5.588 -9.109 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -19.971 -6.721 -6.819 1.00 0.00 H new ATOM 0 HH TYR A 80 -20.072 -5.558 -8.721 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.233 -6.830 -2.406 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.462 -6.423 -1.743 1.00 0.00 C ATOM 1323 C LYS A 81 -18.460 -4.928 -1.418 1.00 0.00 C ATOM 1324 O LYS A 81 -19.520 -4.307 -1.483 1.00 0.00 O ATOM 1325 CB LYS A 81 -18.642 -7.245 -0.457 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.065 -7.233 0.121 1.00 0.00 C ATOM 1327 CD LYS A 81 -21.048 -7.968 -0.805 1.00 0.00 C ATOM 1328 CE LYS A 81 -22.241 -8.546 -0.035 1.00 0.00 C ATOM 1329 NZ LYS A 81 -23.028 -7.499 0.639 1.00 0.00 N ATOM 0 H LYS A 81 -16.841 -7.695 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.295 -6.609 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.356 -8.277 -0.659 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -17.955 -6.866 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.065 -7.705 1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.394 -6.204 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.409 -7.280 -1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -20.526 -8.773 -1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.884 -9.095 -0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -21.882 -9.261 0.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -23.861 -7.927 1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -22.442 -7.036 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.337 -6.793 -0.060 1.00 0.00 H new ATOM 1343 N THR A 82 -17.295 -4.368 -1.056 1.00 0.00 N ATOM 1344 CA THR A 82 -17.259 -3.029 -0.501 1.00 0.00 C ATOM 1345 C THR A 82 -15.955 -2.291 -0.814 1.00 0.00 C ATOM 1346 O THR A 82 -15.988 -1.258 -1.473 1.00 0.00 O ATOM 1347 CB THR A 82 -17.494 -3.147 1.014 1.00 0.00 C ATOM 1348 OG1 THR A 82 -18.810 -3.583 1.286 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.274 -1.799 1.678 1.00 0.00 C ATOM 0 H THR A 82 -16.386 -4.822 -1.140 1.00 0.00 H new ATOM 0 HA THR A 82 -18.042 -2.427 -0.963 1.00 0.00 H new ATOM 0 HB THR A 82 -16.788 -3.877 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 82 -18.938 -3.653 2.255 1.00 0.00 H new ATOM 0 HG21 THR A 82 -17.442 -1.890 2.751 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.251 -1.467 1.498 1.00 0.00 H new ATOM 0 HG23 THR A 82 -17.970 -1.071 1.262 1.00 0.00 H new ATOM 1357 N ARG A 83 -14.851 -2.804 -0.255 1.00 0.00 N ATOM 1358 CA ARG A 83 -13.504 -2.235 -0.097 1.00 0.00 C ATOM 1359 C ARG A 83 -13.045 -2.511 1.346 1.00 0.00 C ATOM 1360 O ARG A 83 -12.568 -1.622 2.048 1.00 0.00 O ATOM 1361 CB ARG A 83 -13.372 -0.741 -0.453 1.00 0.00 C ATOM 1362 CG ARG A 83 -13.140 -0.483 -1.950 1.00 0.00 C ATOM 1363 CD ARG A 83 -13.222 1.017 -2.265 1.00 0.00 C ATOM 1364 NE ARG A 83 -12.105 1.760 -1.663 1.00 0.00 N ATOM 1365 CZ ARG A 83 -11.935 3.087 -1.756 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -12.848 3.843 -2.377 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -10.846 3.655 -1.226 1.00 0.00 N ATOM 0 H ARG A 83 -14.885 -3.741 0.146 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.857 -2.725 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.277 -0.220 -0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.545 -0.313 0.113 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.163 -0.867 -2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.884 -1.023 -2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.216 1.163 -3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.166 1.416 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.411 1.229 -1.138 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.678 3.410 -2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.714 4.852 -2.445 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.149 3.079 -0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.713 4.664 -1.294 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.206 -3.756 1.811 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.554 -4.199 3.033 1.00 0.00 C ATOM 1383 C GLY A 84 -11.068 -4.396 2.727 1.00 0.00 C ATOM 1384 O GLY A 84 -10.679 -4.269 1.570 1.00 0.00 O ATOM 0 H GLY A 84 -13.781 -4.466 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.686 -3.462 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.998 -5.130 3.387 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.246 -4.746 3.719 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.853 -5.126 3.514 1.00 0.00 C ATOM 1390 C ARG A 85 -8.609 -6.482 4.170 1.00 0.00 C ATOM 1391 O ARG A 85 -9.178 -6.759 5.224 1.00 0.00 O ATOM 1392 CB ARG A 85 -7.872 -4.064 4.046 1.00 0.00 C ATOM 1393 CG ARG A 85 -8.387 -3.088 5.115 1.00 0.00 C ATOM 1394 CD ARG A 85 -8.729 -3.760 6.452 1.00 0.00 C ATOM 1395 NE ARG A 85 -10.179 -3.869 6.664 1.00 0.00 N ATOM 1396 CZ ARG A 85 -10.750 -4.615 7.620 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -10.001 -5.365 8.435 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -12.078 -4.597 7.762 1.00 0.00 N ATOM 0 H ARG A 85 -10.535 -4.773 4.697 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.668 -5.198 2.442 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.005 -4.583 4.455 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.520 -3.477 3.197 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.632 -2.320 5.287 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.275 -2.583 4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.284 -4.754 6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.286 -3.188 7.268 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.792 -3.342 6.042 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.986 -5.373 8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.444 -5.929 9.160 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.649 -4.019 7.146 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.521 -5.162 8.487 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.763 -7.315 3.556 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.306 -8.575 4.114 1.00 0.00 C ATOM 1414 C LYS A 86 -5.790 -8.681 4.004 1.00 0.00 C ATOM 1415 O LYS A 86 -5.196 -8.373 2.968 1.00 0.00 O ATOM 1416 CB LYS A 86 -7.980 -9.768 3.433 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.366 -10.088 4.008 1.00 0.00 C ATOM 1418 CD LYS A 86 -9.339 -10.808 5.371 1.00 0.00 C ATOM 1419 CE LYS A 86 -9.197 -9.887 6.598 1.00 0.00 C ATOM 1420 NZ LYS A 86 -9.854 -10.474 7.778 1.00 0.00 N ATOM 0 H LYS A 86 -7.372 -7.120 2.634 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.586 -8.597 5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.075 -9.564 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.340 -10.645 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.926 -9.159 4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.908 -10.708 3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.256 -11.387 5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.512 -11.518 5.372 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.141 -9.719 6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.636 -8.914 6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.744 -9.834 8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.866 -10.611 7.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.417 -11.392 7.998 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.189 -9.127 5.108 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.764 -9.296 5.271 1.00 0.00 C ATOM 1436 C LEU A 87 -3.315 -10.495 4.431 1.00 0.00 C ATOM 1437 O LEU A 87 -3.472 -11.639 4.849 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.499 -9.496 6.776 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.055 -9.247 7.235 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -1.988 -9.439 8.754 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -1.040 -10.197 6.590 1.00 0.00 C ATOM 0 H LEU A 87 -5.714 -9.389 5.942 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.197 -8.431 4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.158 -8.831 7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.775 -10.516 7.043 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.793 -8.233 6.932 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.968 -9.266 9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.660 -8.732 9.240 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.288 -10.456 9.006 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.040 -9.966 6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.292 -11.226 6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.065 -10.075 5.507 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.715 -10.221 3.271 1.00 0.00 N ATOM 1454 CA LEU A 88 -1.987 -11.196 2.459 1.00 0.00 C ATOM 1455 C LEU A 88 -0.512 -10.767 2.343 1.00 0.00 C ATOM 1456 O LEU A 88 0.282 -11.373 1.616 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.691 -11.325 1.091 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.067 -12.753 0.673 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -1.823 -13.627 0.479 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -4.064 -13.400 1.641 1.00 0.00 C ATOM 0 H LEU A 88 -2.723 -9.288 2.859 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.991 -12.182 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.598 -10.720 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.041 -10.901 0.326 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.571 -12.676 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.126 -14.631 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.192 -13.195 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.264 -13.677 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.298 -14.409 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.626 -13.445 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.978 -12.807 1.673 1.00 0.00 H new ATOM 1472 N ARG A 89 -0.146 -9.694 3.059 1.00 0.00 N ATOM 1473 CA ARG A 89 1.172 -9.104 3.017 1.00 0.00 C ATOM 1474 C ARG A 89 2.231 -10.017 3.620 1.00 0.00 C ATOM 1475 O ARG A 89 1.930 -10.937 4.376 1.00 0.00 O ATOM 1476 CB ARG A 89 1.202 -7.707 3.658 1.00 0.00 C ATOM 1477 CG ARG A 89 0.509 -7.572 5.013 1.00 0.00 C ATOM 1478 CD ARG A 89 0.721 -6.178 5.618 1.00 0.00 C ATOM 1479 NE ARG A 89 0.237 -5.071 4.762 1.00 0.00 N ATOM 1480 CZ ARG A 89 0.949 -4.408 3.842 1.00 0.00 C ATOM 1481 NH1 ARG A 89 2.214 -4.748 3.573 1.00 0.00 N ATOM 1482 NH2 ARG A 89 0.387 -3.362 3.230 1.00 0.00 N ATOM 0 H ARG A 89 -0.783 -9.212 3.693 1.00 0.00 H new ATOM 0 HA ARG A 89 1.419 -8.980 1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.243 -7.405 3.774 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.741 -7.002 2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.558 -7.761 4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.894 -8.329 5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.211 -6.129 6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.784 -6.035 5.813 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.734 -4.785 4.885 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.651 -5.523 4.072 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.742 -4.232 2.869 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.565 -3.084 3.467 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.910 -2.842 2.526 1.00 0.00 H new ATOM 1496 N PHE A 90 3.481 -9.682 3.302 1.00 0.00 N ATOM 1497 CA PHE A 90 4.686 -10.333 3.793 1.00 0.00 C ATOM 1498 C PHE A 90 4.764 -11.768 3.260 1.00 0.00 C ATOM 1499 O PHE A 90 4.431 -12.733 3.941 1.00 0.00 O ATOM 1500 CB PHE A 90 4.765 -10.234 5.322 1.00 0.00 C ATOM 1501 CG PHE A 90 5.843 -9.313 5.855 1.00 0.00 C ATOM 1502 CD1 PHE A 90 5.529 -7.973 6.126 1.00 0.00 C ATOM 1503 CD2 PHE A 90 7.094 -9.828 6.240 1.00 0.00 C ATOM 1504 CE1 PHE A 90 6.431 -7.156 6.822 1.00 0.00 C ATOM 1505 CE2 PHE A 90 7.988 -9.021 6.964 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.635 -7.700 7.290 1.00 0.00 C ATOM 0 H PHE A 90 3.686 -8.912 2.665 1.00 0.00 H new ATOM 0 HA PHE A 90 5.568 -9.817 3.414 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.800 -9.893 5.698 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.930 -11.233 5.726 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.584 -7.567 5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.367 -10.840 5.980 1.00 0.00 H new ATOM 0 HE1 PHE A 90 6.200 -6.115 6.996 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.946 -9.415 7.270 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.293 -7.102 7.903 1.00 0.00 H new ATOM 1516 N ASN A 91 5.223 -11.891 2.016 1.00 0.00 N ATOM 1517 CA ASN A 91 5.357 -13.130 1.276 1.00 0.00 C ATOM 1518 C ASN A 91 6.720 -13.132 0.582 1.00 0.00 C ATOM 1519 O ASN A 91 7.360 -12.086 0.444 1.00 0.00 O ATOM 1520 CB ASN A 91 4.200 -13.242 0.270 1.00 0.00 C ATOM 1521 CG ASN A 91 3.130 -14.219 0.749 1.00 0.00 C ATOM 1522 OD1 ASN A 91 3.361 -15.423 0.728 1.00 0.00 O ATOM 1523 ND2 ASN A 91 1.958 -13.745 1.173 1.00 0.00 N ATOM 0 H ASN A 91 5.526 -11.082 1.474 1.00 0.00 H new ATOM 0 HA ASN A 91 5.306 -13.995 1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.754 -12.259 0.117 1.00 0.00 H new ATOM 0 HB3 ASN A 91 4.587 -13.570 -0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 91 1.232 -14.388 1.489 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.788 -12.739 1.182 1.00 0.00 H new ATOM 1530 N GLY A 92 7.171 -14.312 0.156 1.00 0.00 N ATOM 1531 CA GLY A 92 8.498 -14.508 -0.408 1.00 0.00 C ATOM 1532 C GLY A 92 9.456 -14.955 0.701 1.00 0.00 C ATOM 1533 O GLY A 92 9.214 -16.012 1.281 1.00 0.00 O ATOM 0 H GLY A 92 6.615 -15.166 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 92 8.463 -15.257 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.854 -13.583 -0.861 1.00 0.00 H new ATOM 1537 N PRO A 93 10.514 -14.195 1.040 1.00 0.00 N ATOM 1538 CA PRO A 93 10.922 -12.925 0.447 1.00 0.00 C ATOM 1539 C PRO A 93 11.380 -13.120 -1.000 1.00 0.00 C ATOM 1540 O PRO A 93 11.601 -14.255 -1.420 1.00 0.00 O ATOM 1541 CB PRO A 93 12.080 -12.431 1.320 1.00 0.00 C ATOM 1542 CG PRO A 93 12.697 -13.726 1.851 1.00 0.00 C ATOM 1543 CD PRO A 93 11.474 -14.621 2.045 1.00 0.00 C ATOM 0 HA PRO A 93 10.100 -12.210 0.415 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.799 -11.850 0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.729 -11.791 2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.407 -14.157 1.145 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.235 -13.566 2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.734 -15.672 1.918 1.00 0.00 H new ATOM 0 HD3 PRO A 93 11.064 -14.513 3.049 1.00 0.00 H new ATOM 1551 N VAL A 94 11.508 -12.027 -1.761 1.00 0.00 N ATOM 1552 CA VAL A 94 11.976 -12.065 -3.143 1.00 0.00 C ATOM 1553 C VAL A 94 13.295 -11.280 -3.237 1.00 0.00 C ATOM 1554 O VAL A 94 13.480 -10.299 -2.511 1.00 0.00 O ATOM 1555 CB VAL A 94 10.870 -11.609 -4.132 1.00 0.00 C ATOM 1556 CG1 VAL A 94 9.458 -11.787 -3.556 1.00 0.00 C ATOM 1557 CG2 VAL A 94 10.979 -10.167 -4.647 1.00 0.00 C ATOM 0 H VAL A 94 11.287 -11.088 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 94 12.192 -13.088 -3.449 1.00 0.00 H new ATOM 0 HB VAL A 94 11.041 -12.272 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.722 -11.453 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.289 -12.839 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 94 9.359 -11.195 -2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 94 10.154 -9.961 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.935 -9.476 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.925 -10.039 -5.173 1.00 0.00 H new ATOM 1567 N PRO A 95 14.247 -11.712 -4.080 1.00 0.00 N ATOM 1568 CA PRO A 95 15.482 -10.979 -4.306 1.00 0.00 C ATOM 1569 C PRO A 95 15.190 -9.752 -5.180 1.00 0.00 C ATOM 1570 O PRO A 95 14.211 -9.751 -5.925 1.00 0.00 O ATOM 1571 CB PRO A 95 16.405 -11.974 -5.015 1.00 0.00 C ATOM 1572 CG PRO A 95 15.430 -12.842 -5.809 1.00 0.00 C ATOM 1573 CD PRO A 95 14.206 -12.917 -4.895 1.00 0.00 C ATOM 0 HA PRO A 95 15.939 -10.608 -3.389 1.00 0.00 H new ATOM 0 HB2 PRO A 95 17.118 -11.469 -5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 95 16.984 -12.564 -4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 95 15.186 -12.395 -6.773 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.843 -13.830 -6.011 1.00 0.00 H new ATOM 0 HD2 PRO A 95 13.286 -12.965 -5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.236 -13.811 -4.273 1.00 0.00 H new ATOM 1581 N PRO A 96 16.015 -8.698 -5.116 1.00 0.00 N ATOM 1582 CA PRO A 96 15.818 -7.517 -5.940 1.00 0.00 C ATOM 1583 C PRO A 96 15.965 -7.868 -7.428 1.00 0.00 C ATOM 1584 O PRO A 96 16.700 -8.797 -7.769 1.00 0.00 O ATOM 1585 CB PRO A 96 16.883 -6.517 -5.477 1.00 0.00 C ATOM 1586 CG PRO A 96 17.997 -7.418 -4.943 1.00 0.00 C ATOM 1587 CD PRO A 96 17.228 -8.586 -4.326 1.00 0.00 C ATOM 0 HA PRO A 96 14.818 -7.097 -5.832 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.231 -5.890 -6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 96 16.500 -5.849 -4.705 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.664 -7.749 -5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.612 -6.904 -4.204 1.00 0.00 H new ATOM 0 HD2 PRO A 96 17.811 -9.506 -4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.000 -8.398 -3.277 1.00 0.00 H new ATOM 1595 N PRO A 97 15.283 -7.139 -8.325 1.00 0.00 N ATOM 1596 CA PRO A 97 15.365 -7.372 -9.759 1.00 0.00 C ATOM 1597 C PRO A 97 16.760 -7.030 -10.293 1.00 0.00 C ATOM 1598 O PRO A 97 17.408 -6.137 -9.701 1.00 0.00 O ATOM 1599 CB PRO A 97 14.285 -6.474 -10.372 1.00 0.00 C ATOM 1600 CG PRO A 97 14.189 -5.315 -9.379 1.00 0.00 C ATOM 1601 CD PRO A 97 14.422 -6.004 -8.034 1.00 0.00 C ATOM 1602 OXT PRO A 97 17.142 -7.652 -11.308 1.00 0.00 O ATOM 0 HA PRO A 97 15.204 -8.419 -10.015 1.00 0.00 H new ATOM 0 HB2 PRO A 97 14.565 -6.129 -11.367 1.00 0.00 H new ATOM 0 HB3 PRO A 97 13.335 -6.998 -10.472 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.939 -4.549 -9.577 1.00 0.00 H new ATOM 0 HG3 PRO A 97 13.216 -4.826 -9.420 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.893 -5.326 -7.322 1.00 0.00 H new ATOM 0 HD3 PRO A 97 13.481 -6.329 -7.591 1.00 0.00 H new TER 1610 PRO A 97