USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=19 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 Set 1.1: A 1 MET CE :methyl -167:sc= -0.433 (180deg=-0.711) USER MOD Set 1.2: A 59 TYR OH : rot 10:sc= 0.046 USER MOD Single : A 1 MET N :NH3+ 180:sc=-0.00296 (180deg=-0.00296) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= 0.307 (180deg=0.0195) USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 30 TYR OH : rot 76:sc= 0.0524 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0737 USER MOD Single : A 36 ASN : amide:sc= -3.48! C(o=-3.5!,f=-3.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 22:sc= -0.246 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0538) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 17:sc= 0.96 USER MOD Single : A 48 TYR OH : rot -7:sc= 1.26 USER MOD Single : A 50 ASN : amide:sc= -0.114 K(o=-0.11,f=-1.6) USER MOD Single : A 57 LYS NZ :NH3+ -138:sc= -0.029 (180deg=-0.732) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.115 X(o=0.11,f=0.48) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -91:sc= 1.2 USER MOD Single : A 68 SER OG : rot 180:sc= -0.198 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.463 -4.475 -12.530 1.00 0.00 N ATOM 2 CA MET A 1 -11.696 -3.782 -13.810 1.00 0.00 C ATOM 3 C MET A 1 -11.484 -4.725 -14.998 1.00 0.00 C ATOM 4 O MET A 1 -12.357 -4.852 -15.852 1.00 0.00 O ATOM 5 CB MET A 1 -10.820 -2.520 -13.915 1.00 0.00 C ATOM 6 CG MET A 1 -11.622 -1.256 -14.254 1.00 0.00 C ATOM 7 SD MET A 1 -12.404 -0.373 -12.871 1.00 0.00 S ATOM 8 CE MET A 1 -13.738 -1.483 -12.371 1.00 0.00 C ATOM 0 H1 MET A 1 -11.614 -3.811 -11.744 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.124 -5.273 -12.442 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.486 -4.830 -12.500 1.00 0.00 H new ATOM 0 HA MET A 1 -12.737 -3.462 -13.839 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.297 -2.369 -12.971 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.059 -2.676 -14.680 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.957 -0.561 -14.766 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.402 -1.531 -14.964 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.418 -0.956 -11.701 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.284 -1.816 -13.254 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.318 -2.347 -11.856 1.00 0.00 H new ATOM 20 N GLY A 2 -10.329 -5.394 -15.045 1.00 0.00 N ATOM 21 CA GLY A 2 -10.021 -6.340 -16.105 1.00 0.00 C ATOM 22 C GLY A 2 -8.596 -6.854 -15.958 1.00 0.00 C ATOM 23 O GLY A 2 -8.374 -8.058 -15.859 1.00 0.00 O ATOM 0 H GLY A 2 -9.589 -5.292 -14.351 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -10.721 -7.175 -16.071 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -10.143 -5.861 -17.076 1.00 0.00 H new ATOM 27 N GLU A 3 -7.632 -5.931 -15.930 1.00 0.00 N ATOM 28 CA GLU A 3 -6.207 -6.219 -15.819 1.00 0.00 C ATOM 29 C GLU A 3 -5.640 -5.439 -14.631 1.00 0.00 C ATOM 30 O GLU A 3 -6.394 -4.959 -13.781 1.00 0.00 O ATOM 31 CB GLU A 3 -5.538 -5.878 -17.165 1.00 0.00 C ATOM 32 CG GLU A 3 -4.452 -6.889 -17.564 1.00 0.00 C ATOM 33 CD GLU A 3 -3.952 -6.624 -18.980 1.00 0.00 C ATOM 34 OE1 GLU A 3 -3.088 -5.732 -19.116 1.00 0.00 O ATOM 35 OE2 GLU A 3 -4.452 -7.310 -19.897 1.00 0.00 O ATOM 0 H GLU A 3 -7.832 -4.932 -15.986 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.011 -7.273 -15.623 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.299 -5.842 -17.945 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.097 -4.883 -17.104 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.619 -6.829 -16.863 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.851 -7.901 -17.499 1.00 0.00 H new ATOM 42 N TRP A 4 -4.314 -5.327 -14.565 1.00 0.00 N ATOM 43 CA TRP A 4 -3.634 -4.557 -13.538 1.00 0.00 C ATOM 44 C TRP A 4 -3.753 -3.066 -13.853 1.00 0.00 C ATOM 45 O TRP A 4 -4.078 -2.699 -14.983 1.00 0.00 O ATOM 46 CB TRP A 4 -2.169 -4.986 -13.438 1.00 0.00 C ATOM 47 CG TRP A 4 -1.905 -6.403 -13.020 1.00 0.00 C ATOM 48 CD1 TRP A 4 -2.293 -7.528 -13.658 1.00 0.00 C ATOM 49 CD2 TRP A 4 -1.190 -6.849 -11.828 1.00 0.00 C ATOM 50 NE1 TRP A 4 -1.854 -8.634 -12.956 1.00 0.00 N ATOM 51 CE2 TRP A 4 -1.179 -8.273 -11.812 1.00 0.00 C ATOM 52 CE3 TRP A 4 -0.590 -6.186 -10.745 1.00 0.00 C ATOM 53 CZ2 TRP A 4 -0.576 -9.001 -10.769 1.00 0.00 C ATOM 54 CZ3 TRP A 4 -0.036 -6.901 -9.667 1.00 0.00 C ATOM 55 CH2 TRP A 4 -0.010 -8.307 -9.689 1.00 0.00 C ATOM 0 H TRP A 4 -3.682 -5.773 -15.230 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.103 -4.745 -12.572 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -1.701 -4.826 -14.409 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -1.669 -4.325 -12.730 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -2.860 -7.559 -14.577 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -2.011 -9.598 -13.249 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -0.553 -5.107 -10.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -0.549 -10.080 -10.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 0.371 -6.368 -8.820 1.00 0.00 H new ATOM 0 HH2 TRP A 4 0.445 -8.852 -8.875 1.00 0.00 H new ATOM 66 N GLU A 5 -3.487 -2.203 -12.869 1.00 0.00 N ATOM 67 CA GLU A 5 -3.497 -0.760 -13.070 1.00 0.00 C ATOM 68 C GLU A 5 -2.660 -0.068 -12.005 1.00 0.00 C ATOM 69 O GLU A 5 -2.175 -0.700 -11.067 1.00 0.00 O ATOM 70 CB GLU A 5 -4.940 -0.232 -13.071 1.00 0.00 C ATOM 71 CG GLU A 5 -5.146 1.033 -13.920 1.00 0.00 C ATOM 72 CD GLU A 5 -6.378 0.896 -14.811 1.00 0.00 C ATOM 73 OE1 GLU A 5 -7.485 1.182 -14.301 1.00 0.00 O ATOM 74 OE2 GLU A 5 -6.193 0.484 -15.976 1.00 0.00 O ATOM 0 H GLU A 5 -3.260 -2.488 -11.916 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.054 -0.538 -14.041 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.602 -1.016 -13.440 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.238 -0.020 -12.044 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.258 1.899 -13.268 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.264 1.210 -14.536 1.00 0.00 H new ATOM 81 N ILE A 6 -2.499 1.242 -12.161 1.00 0.00 N ATOM 82 CA ILE A 6 -1.676 2.054 -11.279 1.00 0.00 C ATOM 83 C ILE A 6 -2.280 2.119 -9.872 1.00 0.00 C ATOM 84 O ILE A 6 -3.496 2.041 -9.702 1.00 0.00 O ATOM 85 CB ILE A 6 -1.423 3.454 -11.874 1.00 0.00 C ATOM 86 CG1 ILE A 6 -2.729 4.229 -12.130 1.00 0.00 C ATOM 87 CG2 ILE A 6 -0.587 3.329 -13.157 1.00 0.00 C ATOM 88 CD1 ILE A 6 -2.477 5.708 -12.434 1.00 0.00 C ATOM 0 H ILE A 6 -2.942 1.773 -12.911 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.701 1.574 -11.188 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.864 4.034 -11.139 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.261 3.774 -12.966 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.376 4.145 -11.257 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.410 4.320 -13.574 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.368 2.858 -12.925 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.125 2.720 -13.884 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.428 6.211 -12.607 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.970 6.172 -11.588 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.853 5.795 -13.324 1.00 0.00 H new ATOM 100 N ILE A 7 -1.414 2.253 -8.867 1.00 0.00 N ATOM 101 CA ILE A 7 -1.793 2.381 -7.468 1.00 0.00 C ATOM 102 C ILE A 7 -2.013 3.862 -7.135 1.00 0.00 C ATOM 103 O ILE A 7 -1.303 4.725 -7.650 1.00 0.00 O ATOM 104 CB ILE A 7 -0.691 1.729 -6.613 1.00 0.00 C ATOM 105 CG1 ILE A 7 -1.134 1.459 -5.167 1.00 0.00 C ATOM 106 CG2 ILE A 7 0.583 2.581 -6.623 1.00 0.00 C ATOM 107 CD1 ILE A 7 -0.379 0.291 -4.533 1.00 0.00 C ATOM 0 H ILE A 7 -0.405 2.276 -9.012 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.732 1.869 -7.255 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.483 0.761 -7.070 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.977 2.357 -4.569 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.203 1.248 -5.151 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.347 2.100 -6.012 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.946 2.681 -7.646 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.363 3.569 -6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.730 0.142 -3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.556 -0.615 -5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.688 0.511 -4.521 1.00 0.00 H new ATOM 119 N ASP A 8 -2.994 4.170 -6.285 1.00 0.00 N ATOM 120 CA ASP A 8 -3.274 5.546 -5.887 1.00 0.00 C ATOM 121 C ASP A 8 -2.208 6.036 -4.903 1.00 0.00 C ATOM 122 O ASP A 8 -1.890 5.353 -3.927 1.00 0.00 O ATOM 123 CB ASP A 8 -4.677 5.649 -5.279 1.00 0.00 C ATOM 124 CG ASP A 8 -5.768 5.403 -6.313 1.00 0.00 C ATOM 125 OD1 ASP A 8 -6.081 4.211 -6.534 1.00 0.00 O ATOM 126 OD2 ASP A 8 -6.262 6.407 -6.868 1.00 0.00 O ATOM 0 H ASP A 8 -3.610 3.478 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.242 6.185 -6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.775 4.925 -4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.810 6.638 -4.840 1.00 0.00 H new ATOM 131 N ILE A 9 -1.659 7.224 -5.158 1.00 0.00 N ATOM 132 CA ILE A 9 -0.632 7.856 -4.338 1.00 0.00 C ATOM 133 C ILE A 9 -1.302 8.695 -3.239 1.00 0.00 C ATOM 134 O ILE A 9 -2.527 8.790 -3.176 1.00 0.00 O ATOM 135 CB ILE A 9 0.320 8.646 -5.269 1.00 0.00 C ATOM 136 CG1 ILE A 9 0.918 7.730 -6.358 1.00 0.00 C ATOM 137 CG2 ILE A 9 1.471 9.365 -4.546 1.00 0.00 C ATOM 138 CD1 ILE A 9 1.725 6.551 -5.802 1.00 0.00 C ATOM 0 H ILE A 9 -1.926 7.787 -5.965 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.016 7.126 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.311 9.416 -5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.109 7.344 -6.979 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.561 8.325 -7.006 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.086 9.892 -5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.062 10.080 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.082 8.633 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.113 5.954 -6.627 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.556 6.928 -5.205 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.081 5.932 -5.177 1.00 0.00 H new ATOM 150 N GLY A 10 -0.508 9.281 -2.338 1.00 0.00 N ATOM 151 CA GLY A 10 -1.023 10.110 -1.261 1.00 0.00 C ATOM 152 C GLY A 10 -1.662 9.234 -0.179 1.00 0.00 C ATOM 153 O GLY A 10 -1.043 8.242 0.219 1.00 0.00 O ATOM 0 H GLY A 10 0.508 9.190 -2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.216 10.702 -0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.759 10.812 -1.653 1.00 0.00 H new ATOM 157 N PRO A 11 -2.871 9.567 0.311 1.00 0.00 N ATOM 158 CA PRO A 11 -3.502 8.888 1.437 1.00 0.00 C ATOM 159 C PRO A 11 -4.104 7.554 0.983 1.00 0.00 C ATOM 160 O PRO A 11 -5.306 7.327 1.103 1.00 0.00 O ATOM 161 CB PRO A 11 -4.567 9.875 1.933 1.00 0.00 C ATOM 162 CG PRO A 11 -5.017 10.552 0.640 1.00 0.00 C ATOM 163 CD PRO A 11 -3.713 10.662 -0.152 1.00 0.00 C ATOM 0 HA PRO A 11 -2.803 8.633 2.233 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.391 9.366 2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.157 10.591 2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.763 9.959 0.111 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.461 11.530 0.828 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.899 10.586 -1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.232 11.625 0.020 1.00 0.00 H new ATOM 171 N PHE A 12 -3.266 6.668 0.442 1.00 0.00 N ATOM 172 CA PHE A 12 -3.690 5.397 -0.103 1.00 0.00 C ATOM 173 C PHE A 12 -2.497 4.442 -0.112 1.00 0.00 C ATOM 174 O PHE A 12 -2.473 3.494 0.666 1.00 0.00 O ATOM 175 CB PHE A 12 -4.331 5.607 -1.479 1.00 0.00 C ATOM 176 CG PHE A 12 -5.209 4.454 -1.913 1.00 0.00 C ATOM 177 CD1 PHE A 12 -4.637 3.223 -2.282 1.00 0.00 C ATOM 178 CD2 PHE A 12 -6.609 4.593 -1.875 1.00 0.00 C ATOM 179 CE1 PHE A 12 -5.464 2.121 -2.553 1.00 0.00 C ATOM 180 CE2 PHE A 12 -7.435 3.503 -2.198 1.00 0.00 C ATOM 181 CZ PHE A 12 -6.862 2.260 -2.517 1.00 0.00 C ATOM 0 H PHE A 12 -2.260 6.825 0.374 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.460 4.938 0.516 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.926 6.520 -1.459 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.545 5.755 -2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.564 3.126 -2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.049 5.539 -1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.024 1.163 -2.790 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.509 3.620 -2.201 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.495 1.413 -2.734 1.00 0.00 H new ATOM 191 N THR A 13 -1.466 4.716 -0.921 1.00 0.00 N ATOM 192 CA THR A 13 -0.244 3.916 -0.904 1.00 0.00 C ATOM 193 C THR A 13 0.359 3.948 0.505 1.00 0.00 C ATOM 194 O THR A 13 0.692 2.911 1.080 1.00 0.00 O ATOM 195 CB THR A 13 0.736 4.390 -1.999 1.00 0.00 C ATOM 196 OG1 THR A 13 1.806 3.480 -2.148 1.00 0.00 O ATOM 197 CG2 THR A 13 1.310 5.796 -1.774 1.00 0.00 C ATOM 0 H THR A 13 -1.457 5.484 -1.592 1.00 0.00 H new ATOM 0 HA THR A 13 -0.471 2.876 -1.140 1.00 0.00 H new ATOM 0 HB THR A 13 0.135 4.433 -2.907 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.413 3.800 -2.848 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.988 6.047 -2.590 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.496 6.520 -1.742 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.854 5.820 -0.830 1.00 0.00 H new ATOM 205 N GLN A 14 0.460 5.152 1.077 1.00 0.00 N ATOM 206 CA GLN A 14 0.984 5.324 2.422 1.00 0.00 C ATOM 207 C GLN A 14 0.062 4.636 3.423 1.00 0.00 C ATOM 208 O GLN A 14 0.529 3.989 4.353 1.00 0.00 O ATOM 209 CB GLN A 14 1.163 6.814 2.751 1.00 0.00 C ATOM 210 CG GLN A 14 2.626 7.118 3.100 1.00 0.00 C ATOM 211 CD GLN A 14 2.820 8.559 3.557 1.00 0.00 C ATOM 212 OE1 GLN A 14 3.198 8.809 4.696 1.00 0.00 O ATOM 213 NE2 GLN A 14 2.566 9.522 2.677 1.00 0.00 N ATOM 0 H GLN A 14 0.182 6.021 0.621 1.00 0.00 H new ATOM 0 HA GLN A 14 1.968 4.860 2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.853 7.420 1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.520 7.087 3.587 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.959 6.441 3.887 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.253 6.927 2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.253 9.283 1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.684 10.500 2.943 1.00 0.00 H new ATOM 222 N ASN A 15 -1.250 4.766 3.221 1.00 0.00 N ATOM 223 CA ASN A 15 -2.242 4.151 4.093 1.00 0.00 C ATOM 224 C ASN A 15 -2.055 2.635 4.144 1.00 0.00 C ATOM 225 O ASN A 15 -2.045 2.039 5.216 1.00 0.00 O ATOM 226 CB ASN A 15 -3.653 4.508 3.623 1.00 0.00 C ATOM 227 CG ASN A 15 -4.652 4.355 4.763 1.00 0.00 C ATOM 228 OD1 ASN A 15 -4.648 5.144 5.701 1.00 0.00 O ATOM 229 ND2 ASN A 15 -5.518 3.348 4.706 1.00 0.00 N ATOM 0 H ASN A 15 -1.650 5.300 2.450 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.104 4.540 5.102 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.670 5.533 3.252 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.939 3.863 2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.200 3.219 5.454 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.501 2.705 3.914 1.00 0.00 H new ATOM 236 N LEU A 16 -1.883 2.013 2.977 1.00 0.00 N ATOM 237 CA LEU A 16 -1.607 0.586 2.854 1.00 0.00 C ATOM 238 C LEU A 16 -0.287 0.229 3.532 1.00 0.00 C ATOM 239 O LEU A 16 -0.221 -0.746 4.286 1.00 0.00 O ATOM 240 CB LEU A 16 -1.589 0.176 1.370 1.00 0.00 C ATOM 241 CG LEU A 16 -2.861 -0.565 0.935 1.00 0.00 C ATOM 242 CD1 LEU A 16 -2.897 -0.698 -0.589 1.00 0.00 C ATOM 243 CD2 LEU A 16 -2.899 -1.966 1.551 1.00 0.00 C ATOM 0 H LEU A 16 -1.933 2.495 2.080 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.401 0.034 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.466 1.067 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.724 -0.461 1.185 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.722 0.008 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.803 -1.225 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.889 0.294 -1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.024 -1.258 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.807 -2.479 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.028 -2.532 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.889 -1.886 2.638 1.00 0.00 H new ATOM 255 N ALA A 17 0.772 0.994 3.253 1.00 0.00 N ATOM 256 CA ALA A 17 2.058 0.783 3.899 1.00 0.00 C ATOM 257 C ALA A 17 1.890 0.795 5.422 1.00 0.00 C ATOM 258 O ALA A 17 2.367 -0.105 6.113 1.00 0.00 O ATOM 259 CB ALA A 17 3.053 1.843 3.425 1.00 0.00 C ATOM 0 H ALA A 17 0.758 1.763 2.583 1.00 0.00 H new ATOM 0 HA ALA A 17 2.454 -0.194 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.015 1.682 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.175 1.770 2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.679 2.834 3.681 1.00 0.00 H new ATOM 265 N LYS A 18 1.179 1.793 5.950 1.00 0.00 N ATOM 266 CA LYS A 18 0.934 1.886 7.378 1.00 0.00 C ATOM 267 C LYS A 18 0.112 0.700 7.874 1.00 0.00 C ATOM 268 O LYS A 18 0.473 0.107 8.886 1.00 0.00 O ATOM 269 CB LYS A 18 0.264 3.214 7.763 1.00 0.00 C ATOM 270 CG LYS A 18 1.118 4.029 8.744 1.00 0.00 C ATOM 271 CD LYS A 18 1.470 3.254 10.027 1.00 0.00 C ATOM 272 CE LYS A 18 2.054 4.225 11.062 1.00 0.00 C ATOM 273 NZ LYS A 18 2.834 3.517 12.092 1.00 0.00 N ATOM 0 H LYS A 18 0.764 2.547 5.402 1.00 0.00 H new ATOM 0 HA LYS A 18 1.906 1.858 7.870 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.084 3.803 6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.709 3.012 8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.039 4.335 8.247 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.583 4.940 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.580 2.769 10.428 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.190 2.466 9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.691 4.953 10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.246 4.782 11.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.213 4.205 12.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.220 2.840 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.620 3.006 11.642 1.00 0.00 H new ATOM 287 N PHE A 19 -0.980 0.364 7.173 1.00 0.00 N ATOM 288 CA PHE A 19 -1.827 -0.782 7.496 1.00 0.00 C ATOM 289 C PHE A 19 -0.944 -1.997 7.731 1.00 0.00 C ATOM 290 O PHE A 19 -1.074 -2.655 8.761 1.00 0.00 O ATOM 291 CB PHE A 19 -2.852 -1.076 6.388 1.00 0.00 C ATOM 292 CG PHE A 19 -3.832 -2.198 6.720 1.00 0.00 C ATOM 293 CD1 PHE A 19 -3.480 -3.545 6.494 1.00 0.00 C ATOM 294 CD2 PHE A 19 -5.084 -1.903 7.292 1.00 0.00 C ATOM 295 CE1 PHE A 19 -4.364 -4.581 6.853 1.00 0.00 C ATOM 296 CE2 PHE A 19 -5.980 -2.939 7.620 1.00 0.00 C ATOM 297 CZ PHE A 19 -5.625 -4.281 7.398 1.00 0.00 C ATOM 0 H PHE A 19 -1.299 0.888 6.358 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.393 -0.546 8.397 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.416 -0.167 6.180 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.317 -1.335 5.474 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.528 -3.783 6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.359 -0.876 7.481 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.072 -5.611 6.709 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.944 -2.701 8.044 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.315 -5.075 7.644 1.00 0.00 H new ATOM 307 N ALA A 20 -0.035 -2.266 6.786 1.00 0.00 N ATOM 308 CA ALA A 20 0.912 -3.363 6.923 1.00 0.00 C ATOM 309 C ALA A 20 1.557 -3.355 8.307 1.00 0.00 C ATOM 310 O ALA A 20 1.379 -4.290 9.084 1.00 0.00 O ATOM 311 CB ALA A 20 1.990 -3.325 5.829 1.00 0.00 C ATOM 0 H ALA A 20 0.059 -1.735 5.920 1.00 0.00 H new ATOM 0 HA ALA A 20 0.352 -4.290 6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.677 -4.160 5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.517 -3.401 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.541 -2.387 5.894 1.00 0.00 H new ATOM 317 N VAL A 21 2.298 -2.289 8.618 1.00 0.00 N ATOM 318 CA VAL A 21 3.064 -2.198 9.850 1.00 0.00 C ATOM 319 C VAL A 21 2.136 -2.315 11.063 1.00 0.00 C ATOM 320 O VAL A 21 2.338 -3.173 11.922 1.00 0.00 O ATOM 321 CB VAL A 21 3.868 -0.887 9.851 1.00 0.00 C ATOM 322 CG1 VAL A 21 4.697 -0.770 11.138 1.00 0.00 C ATOM 323 CG2 VAL A 21 4.800 -0.806 8.635 1.00 0.00 C ATOM 0 H VAL A 21 2.380 -1.468 8.019 1.00 0.00 H new ATOM 0 HA VAL A 21 3.771 -3.025 9.914 1.00 0.00 H new ATOM 0 HB VAL A 21 3.156 -0.063 9.800 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.261 0.163 11.124 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.032 -0.779 12.001 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.388 -1.610 11.203 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.355 0.132 8.664 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.499 -1.642 8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.209 -0.850 7.720 1.00 0.00 H new ATOM 333 N ASP A 22 1.126 -1.445 11.120 1.00 0.00 N ATOM 334 CA ASP A 22 0.143 -1.353 12.192 1.00 0.00 C ATOM 335 C ASP A 22 -0.472 -2.715 12.491 1.00 0.00 C ATOM 336 O ASP A 22 -0.329 -3.238 13.595 1.00 0.00 O ATOM 337 CB ASP A 22 -0.936 -0.339 11.789 1.00 0.00 C ATOM 338 CG ASP A 22 -2.076 -0.310 12.801 1.00 0.00 C ATOM 339 OD1 ASP A 22 -1.832 0.208 13.912 1.00 0.00 O ATOM 340 OD2 ASP A 22 -3.164 -0.811 12.445 1.00 0.00 O ATOM 0 H ASP A 22 0.967 -0.756 10.385 1.00 0.00 H new ATOM 0 HA ASP A 22 0.635 -1.016 13.105 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.493 0.654 11.709 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.328 -0.594 10.804 1.00 0.00 H new ATOM 345 N GLU A 23 -1.172 -3.283 11.510 1.00 0.00 N ATOM 346 CA GLU A 23 -1.913 -4.514 11.698 1.00 0.00 C ATOM 347 C GLU A 23 -0.946 -5.652 12.040 1.00 0.00 C ATOM 348 O GLU A 23 -1.189 -6.418 12.974 1.00 0.00 O ATOM 349 CB GLU A 23 -2.766 -4.785 10.451 1.00 0.00 C ATOM 350 CG GLU A 23 -4.210 -5.173 10.788 1.00 0.00 C ATOM 351 CD GLU A 23 -4.367 -6.506 11.515 1.00 0.00 C ATOM 352 OE1 GLU A 23 -3.469 -7.358 11.360 1.00 0.00 O ATOM 353 OE2 GLU A 23 -5.404 -6.655 12.199 1.00 0.00 O ATOM 0 H GLU A 23 -1.237 -2.898 10.568 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.600 -4.432 12.540 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.772 -3.896 9.821 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.307 -5.584 9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.647 -4.387 11.404 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.785 -5.211 9.863 1.00 0.00 H new ATOM 360 N GLU A 24 0.181 -5.733 11.320 1.00 0.00 N ATOM 361 CA GLU A 24 1.202 -6.724 11.619 1.00 0.00 C ATOM 362 C GLU A 24 1.635 -6.616 13.081 1.00 0.00 C ATOM 363 O GLU A 24 1.745 -7.640 13.745 1.00 0.00 O ATOM 364 CB GLU A 24 2.383 -6.596 10.649 1.00 0.00 C ATOM 365 CG GLU A 24 3.272 -7.843 10.612 1.00 0.00 C ATOM 366 CD GLU A 24 4.021 -8.138 11.903 1.00 0.00 C ATOM 367 OE1 GLU A 24 4.622 -7.191 12.456 1.00 0.00 O ATOM 368 OE2 GLU A 24 4.006 -9.327 12.295 1.00 0.00 O ATOM 0 H GLU A 24 0.400 -5.124 10.532 1.00 0.00 H new ATOM 0 HA GLU A 24 0.783 -7.720 11.478 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.002 -6.400 9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.988 -5.735 10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.653 -8.705 10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.998 -7.730 9.807 1.00 0.00 H new ATOM 375 N ASN A 25 1.881 -5.405 13.589 1.00 0.00 N ATOM 376 CA ASN A 25 2.235 -5.209 14.992 1.00 0.00 C ATOM 377 C ASN A 25 1.095 -5.649 15.910 1.00 0.00 C ATOM 378 O ASN A 25 1.326 -6.355 16.888 1.00 0.00 O ATOM 379 CB ASN A 25 2.612 -3.742 15.263 1.00 0.00 C ATOM 380 CG ASN A 25 4.097 -3.589 15.563 1.00 0.00 C ATOM 381 OD1 ASN A 25 4.480 -3.131 16.634 1.00 0.00 O ATOM 382 ND2 ASN A 25 4.953 -3.973 14.621 1.00 0.00 N ATOM 0 H ASN A 25 1.840 -4.544 13.044 1.00 0.00 H new ATOM 0 HA ASN A 25 3.104 -5.830 15.207 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.351 -3.133 14.397 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.030 -3.366 16.104 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.957 -3.890 14.780 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.606 -4.351 13.739 1.00 0.00 H new ATOM 389 N LYS A 26 -0.130 -5.215 15.604 1.00 0.00 N ATOM 390 CA LYS A 26 -1.317 -5.502 16.396 1.00 0.00 C ATOM 391 C LYS A 26 -1.508 -7.012 16.572 1.00 0.00 C ATOM 392 O LYS A 26 -1.857 -7.461 17.662 1.00 0.00 O ATOM 393 CB LYS A 26 -2.513 -4.791 15.742 1.00 0.00 C ATOM 394 CG LYS A 26 -3.892 -5.097 16.347 1.00 0.00 C ATOM 395 CD LYS A 26 -4.629 -6.138 15.493 1.00 0.00 C ATOM 396 CE LYS A 26 -6.097 -6.280 15.901 1.00 0.00 C ATOM 397 NZ LYS A 26 -6.828 -7.132 14.944 1.00 0.00 N ATOM 0 H LYS A 26 -0.323 -4.643 14.782 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.214 -5.115 17.410 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.345 -3.715 15.797 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.535 -5.057 14.685 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.776 -5.468 17.365 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.482 -4.182 16.407 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.571 -5.852 14.443 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.131 -7.103 15.589 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.161 -6.711 16.900 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.563 -5.296 15.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.827 -6.845 14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.412 -7.026 13.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.761 -8.126 15.243 1.00 0.00 H new ATOM 411 N ILE A 27 -1.282 -7.796 15.516 1.00 0.00 N ATOM 412 CA ILE A 27 -1.365 -9.253 15.591 1.00 0.00 C ATOM 413 C ILE A 27 -0.080 -9.861 16.172 1.00 0.00 C ATOM 414 O ILE A 27 -0.139 -10.699 17.069 1.00 0.00 O ATOM 415 CB ILE A 27 -1.697 -9.822 14.200 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.093 -9.398 13.710 1.00 0.00 C ATOM 417 CG2 ILE A 27 -1.562 -11.348 14.175 1.00 0.00 C ATOM 418 CD1 ILE A 27 -4.271 -9.959 14.515 1.00 0.00 C ATOM 0 H ILE A 27 -1.038 -7.440 14.592 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.168 -9.527 16.275 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.967 -9.397 13.511 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.150 -8.310 13.726 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.204 -9.708 12.671 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.803 -11.718 13.179 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.539 -11.627 14.428 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.247 -11.786 14.901 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.207 -9.600 14.088 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.250 -11.048 14.480 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.194 -9.628 15.551 1.00 0.00 H new ATOM 430 N GLY A 28 1.074 -9.490 15.619 1.00 0.00 N ATOM 431 CA GLY A 28 2.377 -10.054 15.944 1.00 0.00 C ATOM 432 C GLY A 28 2.586 -11.390 15.229 1.00 0.00 C ATOM 433 O GLY A 28 2.819 -12.409 15.872 1.00 0.00 O ATOM 0 H GLY A 28 1.126 -8.762 14.907 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.162 -9.356 15.655 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.458 -10.197 17.022 1.00 0.00 H new ATOM 437 N GLN A 29 2.482 -11.396 13.893 1.00 0.00 N ATOM 438 CA GLN A 29 2.526 -12.623 13.101 1.00 0.00 C ATOM 439 C GLN A 29 3.943 -13.032 12.696 1.00 0.00 C ATOM 440 O GLN A 29 4.293 -14.205 12.796 1.00 0.00 O ATOM 441 CB GLN A 29 1.592 -12.499 11.886 1.00 0.00 C ATOM 442 CG GLN A 29 0.972 -13.849 11.494 1.00 0.00 C ATOM 443 CD GLN A 29 -0.342 -14.125 12.224 1.00 0.00 C ATOM 444 OE1 GLN A 29 -0.343 -14.119 13.555 1.00 0.00 O flip ATOM 445 NE2 GLN A 29 -1.374 -14.321 11.593 1.00 0.00 N flip ATOM 0 H GLN A 29 2.365 -10.550 13.336 1.00 0.00 H new ATOM 0 HA GLN A 29 2.168 -13.433 13.737 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.798 -11.787 12.111 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.150 -12.097 11.040 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.796 -13.866 10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.680 -14.648 11.714 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.356 -14.322 10.573 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.251 -14.483 12.088 1.00 0.00 H new ATOM 454 N TYR A 30 4.732 -12.077 12.203 1.00 0.00 N ATOM 455 CA TYR A 30 6.106 -12.297 11.748 1.00 0.00 C ATOM 456 C TYR A 30 7.052 -11.345 12.475 1.00 0.00 C ATOM 457 O TYR A 30 8.101 -11.755 12.961 1.00 0.00 O ATOM 458 CB TYR A 30 6.229 -12.187 10.215 1.00 0.00 C ATOM 459 CG TYR A 30 4.929 -12.027 9.449 1.00 0.00 C ATOM 460 CD1 TYR A 30 4.399 -10.745 9.222 1.00 0.00 C ATOM 461 CD2 TYR A 30 4.237 -13.163 8.988 1.00 0.00 C ATOM 462 CE1 TYR A 30 3.185 -10.602 8.525 1.00 0.00 C ATOM 463 CE2 TYR A 30 3.030 -13.017 8.284 1.00 0.00 C ATOM 464 CZ TYR A 30 2.505 -11.735 8.050 1.00 0.00 C ATOM 465 OH TYR A 30 1.329 -11.576 7.385 1.00 0.00 O ATOM 0 H TYR A 30 4.428 -11.108 12.107 1.00 0.00 H new ATOM 0 HA TYR A 30 6.395 -13.318 11.998 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.870 -11.337 9.983 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.736 -13.079 9.847 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.922 -9.872 9.582 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.635 -14.149 9.176 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.775 -9.618 8.355 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.506 -13.890 7.923 1.00 0.00 H new ATOM 0 HH TYR A 30 1.508 -11.258 6.475 1.00 0.00 H new ATOM 475 N GLY A 31 6.653 -10.075 12.559 1.00 0.00 N ATOM 476 CA GLY A 31 7.379 -9.035 13.268 1.00 0.00 C ATOM 477 C GLY A 31 8.001 -8.086 12.257 1.00 0.00 C ATOM 478 O GLY A 31 9.022 -8.400 11.648 1.00 0.00 O ATOM 0 H GLY A 31 5.794 -9.739 12.123 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.706 -8.491 13.930 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.153 -9.477 13.895 1.00 0.00 H new ATOM 482 N ARG A 32 7.359 -6.935 12.045 1.00 0.00 N ATOM 483 CA ARG A 32 7.874 -5.945 11.114 1.00 0.00 C ATOM 484 C ARG A 32 9.259 -5.454 11.553 1.00 0.00 C ATOM 485 O ARG A 32 9.605 -5.502 12.731 1.00 0.00 O ATOM 486 CB ARG A 32 6.868 -4.797 10.928 1.00 0.00 C ATOM 487 CG ARG A 32 7.071 -4.058 9.594 1.00 0.00 C ATOM 488 CD ARG A 32 7.828 -2.728 9.703 1.00 0.00 C ATOM 489 NE ARG A 32 8.147 -2.190 8.366 1.00 0.00 N ATOM 490 CZ ARG A 32 8.227 -0.888 8.046 1.00 0.00 C ATOM 491 NH1 ARG A 32 8.073 0.058 8.981 1.00 0.00 N ATOM 492 NH2 ARG A 32 8.441 -0.539 6.771 1.00 0.00 N ATOM 0 H ARG A 32 6.487 -6.672 12.505 1.00 0.00 H new ATOM 0 HA ARG A 32 8.002 -6.412 10.137 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.854 -5.194 10.971 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.969 -4.091 11.752 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.612 -4.713 8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.095 -3.869 9.148 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.225 -2.007 10.255 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.748 -2.874 10.269 1.00 0.00 H new ATOM 0 HE ARG A 32 8.322 -2.865 7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.893 -0.207 9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.136 1.043 8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.541 -1.259 6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.504 0.447 6.516 1.00 0.00 H new ATOM 506 N LEU A 33 10.042 -4.996 10.573 1.00 0.00 N ATOM 507 CA LEU A 33 11.397 -4.499 10.731 1.00 0.00 C ATOM 508 C LEU A 33 11.340 -3.063 11.270 1.00 0.00 C ATOM 509 O LEU A 33 10.682 -2.806 12.277 1.00 0.00 O ATOM 510 CB LEU A 33 12.141 -4.627 9.392 1.00 0.00 C ATOM 511 CG LEU A 33 12.197 -6.038 8.766 1.00 0.00 C ATOM 512 CD1 LEU A 33 12.882 -7.064 9.666 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.864 -6.614 8.279 1.00 0.00 C ATOM 0 H LEU A 33 9.726 -4.963 9.604 1.00 0.00 H new ATOM 0 HA LEU A 33 11.958 -5.088 11.457 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.671 -3.954 8.675 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.163 -4.277 9.535 1.00 0.00 H new ATOM 0 HG LEU A 33 12.800 -5.861 7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.890 -8.035 9.171 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.907 -6.749 9.863 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.339 -7.142 10.608 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.028 -7.607 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.170 -6.684 9.117 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.444 -5.962 7.513 1.00 0.00 H new ATOM 525 N THR A 34 12.027 -2.101 10.648 1.00 0.00 N ATOM 526 CA THR A 34 12.029 -0.728 11.155 1.00 0.00 C ATOM 527 C THR A 34 12.096 0.271 10.003 1.00 0.00 C ATOM 528 O THR A 34 13.118 0.321 9.328 1.00 0.00 O ATOM 529 CB THR A 34 13.185 -0.563 12.149 1.00 0.00 C ATOM 530 OG1 THR A 34 13.019 -1.483 13.212 1.00 0.00 O ATOM 531 CG2 THR A 34 13.264 0.850 12.735 1.00 0.00 C ATOM 0 H THR A 34 12.582 -2.245 9.804 1.00 0.00 H new ATOM 0 HA THR A 34 11.099 -0.522 11.684 1.00 0.00 H new ATOM 0 HB THR A 34 14.109 -0.749 11.602 1.00 0.00 H new ATOM 0 HG1 THR A 34 13.756 -1.383 13.850 1.00 0.00 H new ATOM 0 HG21 THR A 34 14.100 0.909 13.432 1.00 0.00 H new ATOM 0 HG22 THR A 34 13.411 1.570 11.930 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.337 1.078 13.261 1.00 0.00 H new ATOM 539 N PHE A 35 11.006 1.035 9.807 1.00 0.00 N ATOM 540 CA PHE A 35 10.782 2.058 8.780 1.00 0.00 C ATOM 541 C PHE A 35 11.949 2.246 7.818 1.00 0.00 C ATOM 542 O PHE A 35 12.721 3.194 7.927 1.00 0.00 O ATOM 543 CB PHE A 35 10.298 3.376 9.406 1.00 0.00 C ATOM 544 CG PHE A 35 8.789 3.516 9.384 1.00 0.00 C ATOM 545 CD1 PHE A 35 8.148 3.857 8.176 1.00 0.00 C ATOM 546 CD2 PHE A 35 8.020 3.277 10.538 1.00 0.00 C ATOM 547 CE1 PHE A 35 6.749 3.965 8.124 1.00 0.00 C ATOM 548 CE2 PHE A 35 6.619 3.391 10.486 1.00 0.00 C ATOM 549 CZ PHE A 35 5.983 3.733 9.279 1.00 0.00 C ATOM 0 H PHE A 35 10.193 0.941 10.416 1.00 0.00 H new ATOM 0 HA PHE A 35 9.979 1.681 8.147 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.649 3.434 10.436 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.744 4.213 8.869 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.735 4.036 7.287 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.506 3.006 11.464 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.262 4.226 7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.031 3.216 11.374 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.907 3.817 9.240 1.00 0.00 H new ATOM 559 N ASN A 36 12.039 1.308 6.876 1.00 0.00 N ATOM 560 CA ASN A 36 13.126 1.207 5.933 1.00 0.00 C ATOM 561 C ASN A 36 12.741 2.093 4.743 1.00 0.00 C ATOM 562 O ASN A 36 13.044 3.281 4.773 1.00 0.00 O ATOM 563 CB ASN A 36 13.452 -0.272 5.620 1.00 0.00 C ATOM 564 CG ASN A 36 13.030 -1.274 6.712 1.00 0.00 C ATOM 565 OD1 ASN A 36 13.852 -1.893 7.381 1.00 0.00 O ATOM 566 ND2 ASN A 36 11.725 -1.543 6.832 1.00 0.00 N ATOM 0 H ASN A 36 11.333 0.582 6.754 1.00 0.00 H new ATOM 0 HA ASN A 36 14.075 1.576 6.322 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.962 -0.547 4.686 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.526 -0.366 5.457 1.00 0.00 H new ATOM 0 HD21 ASN A 36 11.411 -2.264 7.481 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.044 -1.027 6.275 1.00 0.00 H new ATOM 573 N LYS A 37 12.022 1.569 3.738 1.00 0.00 N ATOM 574 CA LYS A 37 11.526 2.318 2.584 1.00 0.00 C ATOM 575 C LYS A 37 10.710 1.361 1.708 1.00 0.00 C ATOM 576 O LYS A 37 10.492 0.211 2.082 1.00 0.00 O ATOM 577 CB LYS A 37 12.672 3.005 1.809 1.00 0.00 C ATOM 578 CG LYS A 37 13.751 2.022 1.333 1.00 0.00 C ATOM 579 CD LYS A 37 15.147 2.667 1.315 1.00 0.00 C ATOM 580 CE LYS A 37 15.794 2.601 2.707 1.00 0.00 C ATOM 581 NZ LYS A 37 17.053 3.364 2.766 1.00 0.00 N ATOM 0 H LYS A 37 11.765 0.582 3.710 1.00 0.00 H new ATOM 0 HA LYS A 37 10.881 3.131 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.258 3.526 0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.132 3.760 2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.762 1.150 1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.502 1.666 0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.780 2.156 0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.069 3.706 0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.098 2.992 3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.988 1.561 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.457 3.294 3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.727 2.976 2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.865 4.362 2.542 1.00 0.00 H new ATOM 595 N VAL A 38 10.255 1.826 0.549 1.00 0.00 N ATOM 596 CA VAL A 38 9.529 1.066 -0.453 1.00 0.00 C ATOM 597 C VAL A 38 10.189 1.363 -1.797 1.00 0.00 C ATOM 598 O VAL A 38 10.727 2.456 -1.964 1.00 0.00 O ATOM 599 CB VAL A 38 8.051 1.484 -0.383 1.00 0.00 C ATOM 600 CG1 VAL A 38 7.858 3.003 -0.493 1.00 0.00 C ATOM 601 CG2 VAL A 38 7.177 0.775 -1.427 1.00 0.00 C ATOM 0 H VAL A 38 10.393 2.798 0.272 1.00 0.00 H new ATOM 0 HA VAL A 38 9.561 -0.012 -0.295 1.00 0.00 H new ATOM 0 HB VAL A 38 7.721 1.167 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.795 3.240 -0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.383 3.497 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.258 3.353 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.145 1.112 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.541 1.011 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.224 -0.303 -1.269 1.00 0.00 H new ATOM 611 N ILE A 39 10.188 0.409 -2.736 1.00 0.00 N ATOM 612 CA ILE A 39 10.812 0.642 -4.038 1.00 0.00 C ATOM 613 C ILE A 39 10.161 1.832 -4.750 1.00 0.00 C ATOM 614 O ILE A 39 10.844 2.794 -5.091 1.00 0.00 O ATOM 615 CB ILE A 39 10.839 -0.631 -4.907 1.00 0.00 C ATOM 616 CG1 ILE A 39 9.493 -1.362 -5.072 1.00 0.00 C ATOM 617 CG2 ILE A 39 11.874 -1.609 -4.335 1.00 0.00 C ATOM 618 CD1 ILE A 39 8.874 -1.179 -6.462 1.00 0.00 C ATOM 0 H ILE A 39 9.770 -0.514 -2.620 1.00 0.00 H new ATOM 0 HA ILE A 39 11.856 0.903 -3.865 1.00 0.00 H new ATOM 0 HB ILE A 39 11.100 -0.286 -5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.639 -2.426 -4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.794 -0.998 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.898 -2.512 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 39 12.858 -1.141 -4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.602 -1.870 -3.312 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.928 -1.718 -6.513 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.698 -0.119 -6.645 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.555 -1.569 -7.218 1.00 0.00 H new ATOM 630 N ARG A 40 8.840 1.752 -4.933 1.00 0.00 N ATOM 631 CA ARG A 40 7.998 2.697 -5.661 1.00 0.00 C ATOM 632 C ARG A 40 8.330 2.750 -7.166 1.00 0.00 C ATOM 633 O ARG A 40 9.488 2.613 -7.553 1.00 0.00 O ATOM 634 CB ARG A 40 8.021 4.103 -5.032 1.00 0.00 C ATOM 635 CG ARG A 40 6.994 4.272 -3.897 1.00 0.00 C ATOM 636 CD ARG A 40 5.904 5.315 -4.211 1.00 0.00 C ATOM 637 NE ARG A 40 5.731 6.270 -3.107 1.00 0.00 N ATOM 638 CZ ARG A 40 6.658 7.161 -2.722 1.00 0.00 C ATOM 639 NH1 ARG A 40 7.844 7.212 -3.341 1.00 0.00 N ATOM 640 NH2 ARG A 40 6.400 7.994 -1.709 1.00 0.00 N ATOM 0 H ARG A 40 8.299 0.976 -4.552 1.00 0.00 H new ATOM 0 HA ARG A 40 6.980 2.318 -5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.019 4.305 -4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.824 4.845 -5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.521 3.310 -3.699 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.515 4.565 -2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.168 5.854 -5.121 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.959 4.807 -4.404 1.00 0.00 H new ATOM 0 HE ARG A 40 4.847 6.254 -2.599 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.046 6.572 -4.109 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.545 7.891 -3.045 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.500 7.952 -1.230 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.103 8.672 -1.415 1.00 0.00 H new ATOM 654 N PRO A 41 7.333 2.976 -8.039 1.00 0.00 N ATOM 655 CA PRO A 41 5.903 2.972 -7.751 1.00 0.00 C ATOM 656 C PRO A 41 5.432 1.541 -7.446 1.00 0.00 C ATOM 657 O PRO A 41 6.251 0.641 -7.265 1.00 0.00 O ATOM 658 CB PRO A 41 5.252 3.570 -9.004 1.00 0.00 C ATOM 659 CG PRO A 41 6.198 3.144 -10.124 1.00 0.00 C ATOM 660 CD PRO A 41 7.572 3.202 -9.454 1.00 0.00 C ATOM 0 HA PRO A 41 5.634 3.554 -6.869 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.245 3.183 -9.158 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.170 4.655 -8.937 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.968 2.142 -10.487 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.138 3.816 -10.980 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.239 2.444 -9.864 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.048 4.168 -9.621 1.00 0.00 H new ATOM 668 N CYS A 42 4.123 1.327 -7.319 1.00 0.00 N ATOM 669 CA CYS A 42 3.514 0.037 -6.989 1.00 0.00 C ATOM 670 C CYS A 42 2.275 -0.121 -7.874 1.00 0.00 C ATOM 671 O CYS A 42 1.980 0.791 -8.650 1.00 0.00 O ATOM 672 CB CYS A 42 3.217 -0.025 -5.484 1.00 0.00 C ATOM 673 SG CYS A 42 4.731 -0.465 -4.591 1.00 0.00 S ATOM 0 H CYS A 42 3.435 2.069 -7.447 1.00 0.00 H new ATOM 0 HA CYS A 42 4.181 -0.801 -7.190 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.843 0.938 -5.136 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.438 -0.761 -5.286 1.00 0.00 H new ATOM 0 HG CYS A 42 5.766 -0.185 -5.327 1.00 0.00 H new ATOM 679 N MET A 43 1.566 -1.255 -7.811 1.00 0.00 N ATOM 680 CA MET A 43 0.532 -1.569 -8.795 1.00 0.00 C ATOM 681 C MET A 43 -0.626 -2.333 -8.142 1.00 0.00 C ATOM 682 O MET A 43 -0.430 -3.037 -7.150 1.00 0.00 O ATOM 683 CB MET A 43 1.196 -2.350 -9.945 1.00 0.00 C ATOM 684 CG MET A 43 0.336 -2.398 -11.213 1.00 0.00 C ATOM 685 SD MET A 43 1.043 -3.308 -12.613 1.00 0.00 S ATOM 686 CE MET A 43 2.201 -2.077 -13.253 1.00 0.00 C ATOM 0 H MET A 43 1.691 -1.966 -7.090 1.00 0.00 H new ATOM 0 HA MET A 43 0.091 -0.659 -9.201 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.156 -1.891 -10.181 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.402 -3.368 -9.614 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.625 -2.847 -10.961 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.136 -1.375 -11.533 1.00 0.00 H new ATOM 0 HE1 MET A 43 2.720 -2.483 -14.121 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.655 -1.180 -13.543 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.928 -1.825 -12.481 1.00 0.00 H new ATOM 696 N LYS A 44 -1.838 -2.181 -8.687 1.00 0.00 N ATOM 697 CA LYS A 44 -3.033 -2.883 -8.241 1.00 0.00 C ATOM 698 C LYS A 44 -3.554 -3.806 -9.335 1.00 0.00 C ATOM 699 O LYS A 44 -3.127 -3.705 -10.487 1.00 0.00 O ATOM 700 CB LYS A 44 -4.105 -1.875 -7.808 1.00 0.00 C ATOM 701 CG LYS A 44 -4.853 -1.198 -8.968 1.00 0.00 C ATOM 702 CD LYS A 44 -6.053 -0.446 -8.391 1.00 0.00 C ATOM 703 CE LYS A 44 -6.929 0.201 -9.468 1.00 0.00 C ATOM 704 NZ LYS A 44 -7.588 -0.809 -10.318 1.00 0.00 N ATOM 0 H LYS A 44 -2.013 -1.550 -9.469 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.778 -3.501 -7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.830 -2.386 -7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.635 -1.104 -7.197 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.192 -0.511 -9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.184 -1.942 -9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.659 -1.136 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.697 0.326 -7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.685 0.826 -8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.318 0.856 -10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.274 -0.341 -10.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.873 -1.299 -10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.082 -1.499 -9.717 1.00 0.00 H new ATOM 718 N LYS A 45 -4.521 -4.660 -8.988 1.00 0.00 N ATOM 719 CA LYS A 45 -5.181 -5.564 -9.916 1.00 0.00 C ATOM 720 C LYS A 45 -6.533 -5.989 -9.352 1.00 0.00 C ATOM 721 O LYS A 45 -6.852 -5.638 -8.217 1.00 0.00 O ATOM 722 CB LYS A 45 -4.252 -6.759 -10.175 1.00 0.00 C ATOM 723 CG LYS A 45 -4.221 -7.785 -9.026 1.00 0.00 C ATOM 724 CD LYS A 45 -4.929 -9.100 -9.386 1.00 0.00 C ATOM 725 CE LYS A 45 -3.933 -10.213 -9.718 1.00 0.00 C ATOM 726 NZ LYS A 45 -4.622 -11.408 -10.236 1.00 0.00 N ATOM 0 H LYS A 45 -4.870 -4.739 -8.033 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.377 -5.071 -10.868 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.568 -7.261 -11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.241 -6.390 -10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.185 -7.996 -8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.694 -7.352 -8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.559 -9.413 -8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.587 -8.936 -10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.216 -9.855 -10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.366 -10.475 -8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.922 -12.146 -10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.288 -11.762 -9.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.143 -11.161 -11.101 1.00 0.00 H new ATOM 740 N THR A 46 -7.310 -6.762 -10.115 1.00 0.00 N ATOM 741 CA THR A 46 -8.494 -7.446 -9.618 1.00 0.00 C ATOM 742 C THR A 46 -8.259 -8.950 -9.703 1.00 0.00 C ATOM 743 O THR A 46 -7.947 -9.479 -10.769 1.00 0.00 O ATOM 744 CB THR A 46 -9.753 -6.969 -10.352 1.00 0.00 C ATOM 745 OG1 THR A 46 -10.923 -7.395 -9.678 1.00 0.00 O ATOM 746 CG2 THR A 46 -9.834 -7.440 -11.808 1.00 0.00 C ATOM 0 H THR A 46 -7.128 -6.929 -11.105 1.00 0.00 H new ATOM 0 HA THR A 46 -8.670 -7.201 -8.571 1.00 0.00 H new ATOM 0 HB THR A 46 -9.684 -5.881 -10.357 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.695 -7.659 -8.762 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.751 -7.064 -12.262 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.974 -7.062 -12.361 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.835 -8.530 -11.838 1.00 0.00 H new ATOM 754 N ILE A 47 -8.341 -9.633 -8.564 1.00 0.00 N ATOM 755 CA ILE A 47 -8.298 -11.085 -8.542 1.00 0.00 C ATOM 756 C ILE A 47 -9.544 -11.653 -9.228 1.00 0.00 C ATOM 757 O ILE A 47 -10.645 -11.114 -9.101 1.00 0.00 O ATOM 758 CB ILE A 47 -8.095 -11.621 -7.118 1.00 0.00 C ATOM 759 CG1 ILE A 47 -8.129 -13.158 -7.134 1.00 0.00 C ATOM 760 CG2 ILE A 47 -9.156 -11.066 -6.167 1.00 0.00 C ATOM 761 CD1 ILE A 47 -7.529 -13.766 -5.860 1.00 0.00 C ATOM 0 H ILE A 47 -8.438 -9.200 -7.646 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.431 -11.426 -9.108 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.122 -11.291 -6.755 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.160 -13.495 -7.245 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.579 -13.523 -8.002 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.989 -11.461 -5.165 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.090 -9.978 -6.143 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.146 -11.362 -6.514 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.576 -14.853 -5.919 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.490 -13.452 -5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.094 -13.425 -4.993 1.00 0.00 H new ATOM 773 N TYR A 48 -9.352 -12.754 -9.954 1.00 0.00 N ATOM 774 CA TYR A 48 -10.387 -13.473 -10.663 1.00 0.00 C ATOM 775 C TYR A 48 -10.762 -14.709 -9.852 1.00 0.00 C ATOM 776 O TYR A 48 -10.213 -14.969 -8.784 1.00 0.00 O ATOM 777 CB TYR A 48 -9.867 -13.897 -12.046 1.00 0.00 C ATOM 778 CG TYR A 48 -9.025 -12.906 -12.820 1.00 0.00 C ATOM 779 CD1 TYR A 48 -9.423 -11.565 -12.914 1.00 0.00 C ATOM 780 CD2 TYR A 48 -7.890 -13.349 -13.526 1.00 0.00 C ATOM 781 CE1 TYR A 48 -8.706 -10.669 -13.725 1.00 0.00 C ATOM 782 CE2 TYR A 48 -7.155 -12.448 -14.313 1.00 0.00 C ATOM 783 CZ TYR A 48 -7.570 -11.112 -14.425 1.00 0.00 C ATOM 784 OH TYR A 48 -6.880 -10.266 -15.238 1.00 0.00 O ATOM 0 H TYR A 48 -8.431 -13.179 -10.063 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.261 -12.836 -10.795 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.280 -14.807 -11.918 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.728 -14.157 -12.662 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.284 -11.219 -12.361 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.585 -14.383 -13.462 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.027 -9.641 -13.810 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.270 -12.783 -14.833 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.365 -9.418 -15.315 1.00 0.00 H new ATOM 794 N GLU A 49 -11.671 -15.522 -10.375 1.00 0.00 N ATOM 795 CA GLU A 49 -12.278 -16.610 -9.635 1.00 0.00 C ATOM 796 C GLU A 49 -11.415 -17.875 -9.626 1.00 0.00 C ATOM 797 O GLU A 49 -11.941 -18.981 -9.725 1.00 0.00 O ATOM 798 CB GLU A 49 -13.672 -16.844 -10.216 1.00 0.00 C ATOM 799 CG GLU A 49 -13.688 -17.326 -11.675 1.00 0.00 C ATOM 800 CD GLU A 49 -14.995 -18.049 -11.981 1.00 0.00 C ATOM 801 OE1 GLU A 49 -15.126 -19.198 -11.509 1.00 0.00 O ATOM 802 OE2 GLU A 49 -15.841 -17.432 -12.662 1.00 0.00 O ATOM 0 H GLU A 49 -12.008 -15.440 -11.334 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.362 -16.338 -8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.189 -17.579 -9.599 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.239 -15.916 -10.148 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.569 -16.476 -12.347 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.845 -17.994 -11.853 1.00 0.00 H new ATOM 809 N ASN A 50 -10.099 -17.706 -9.496 1.00 0.00 N ATOM 810 CA ASN A 50 -9.078 -18.742 -9.672 1.00 0.00 C ATOM 811 C ASN A 50 -9.292 -19.919 -8.716 1.00 0.00 C ATOM 812 O ASN A 50 -8.674 -19.990 -7.657 1.00 0.00 O ATOM 813 CB ASN A 50 -7.667 -18.151 -9.503 1.00 0.00 C ATOM 814 CG ASN A 50 -7.213 -17.332 -10.708 1.00 0.00 C ATOM 815 OD1 ASN A 50 -8.023 -16.877 -11.508 1.00 0.00 O ATOM 816 ND2 ASN A 50 -5.907 -17.143 -10.862 1.00 0.00 N ATOM 0 H ASN A 50 -9.696 -16.801 -9.254 1.00 0.00 H new ATOM 0 HA ASN A 50 -9.173 -19.126 -10.688 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.648 -17.520 -8.614 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.958 -18.961 -9.334 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.559 -16.610 -11.659 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.252 -17.531 -10.183 1.00 0.00 H new ATOM 823 N GLU A 51 -10.190 -20.831 -9.100 1.00 0.00 N ATOM 824 CA GLU A 51 -10.723 -21.896 -8.261 1.00 0.00 C ATOM 825 C GLU A 51 -11.268 -21.305 -6.951 1.00 0.00 C ATOM 826 O GLU A 51 -11.210 -21.924 -5.892 1.00 0.00 O ATOM 827 CB GLU A 51 -9.674 -23.005 -8.091 1.00 0.00 C ATOM 828 CG GLU A 51 -10.307 -24.350 -7.708 1.00 0.00 C ATOM 829 CD GLU A 51 -9.322 -25.502 -7.890 1.00 0.00 C ATOM 830 OE1 GLU A 51 -8.250 -25.440 -7.247 1.00 0.00 O ATOM 831 OE2 GLU A 51 -9.651 -26.414 -8.675 1.00 0.00 O ATOM 0 H GLU A 51 -10.578 -20.844 -10.043 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.576 -22.380 -8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.116 -23.120 -9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.958 -22.711 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.640 -24.315 -6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.191 -24.525 -8.321 1.00 0.00 H new ATOM 838 N GLY A 52 -11.817 -20.089 -7.048 1.00 0.00 N ATOM 839 CA GLY A 52 -12.247 -19.287 -5.918 1.00 0.00 C ATOM 840 C GLY A 52 -13.717 -19.506 -5.576 1.00 0.00 C ATOM 841 O GLY A 52 -14.188 -19.011 -4.556 1.00 0.00 O ATOM 0 H GLY A 52 -11.975 -19.630 -7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.635 -19.530 -5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.082 -18.233 -6.140 1.00 0.00 H new ATOM 845 N PHE A 53 -14.458 -20.211 -6.441 1.00 0.00 N ATOM 846 CA PHE A 53 -15.888 -20.455 -6.284 1.00 0.00 C ATOM 847 C PHE A 53 -16.704 -19.156 -6.192 1.00 0.00 C ATOM 848 O PHE A 53 -17.824 -19.168 -5.687 1.00 0.00 O ATOM 849 CB PHE A 53 -16.143 -21.406 -5.096 1.00 0.00 C ATOM 850 CG PHE A 53 -16.198 -22.873 -5.476 1.00 0.00 C ATOM 851 CD1 PHE A 53 -15.021 -23.644 -5.536 1.00 0.00 C ATOM 852 CD2 PHE A 53 -17.441 -23.470 -5.758 1.00 0.00 C ATOM 853 CE1 PHE A 53 -15.095 -25.013 -5.853 1.00 0.00 C ATOM 854 CE2 PHE A 53 -17.514 -24.838 -6.071 1.00 0.00 C ATOM 855 CZ PHE A 53 -16.341 -25.611 -6.114 1.00 0.00 C ATOM 0 H PHE A 53 -14.068 -20.633 -7.284 1.00 0.00 H new ATOM 0 HA PHE A 53 -16.243 -20.951 -7.188 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -15.356 -21.263 -4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -17.084 -21.130 -4.619 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -14.063 -23.185 -5.339 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.342 -22.875 -5.734 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -14.193 -25.606 -5.896 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -18.470 -25.295 -6.278 1.00 0.00 H new ATOM 0 HZ PHE A 53 -16.396 -26.664 -6.347 1.00 0.00 H new ATOM 865 N ARG A 54 -16.183 -18.036 -6.712 1.00 0.00 N ATOM 866 CA ARG A 54 -16.920 -16.784 -6.738 1.00 0.00 C ATOM 867 C ARG A 54 -16.362 -15.872 -7.824 1.00 0.00 C ATOM 868 O ARG A 54 -15.158 -15.624 -7.863 1.00 0.00 O ATOM 869 CB ARG A 54 -16.874 -16.100 -5.362 1.00 0.00 C ATOM 870 CG ARG A 54 -17.946 -15.003 -5.251 1.00 0.00 C ATOM 871 CD ARG A 54 -19.061 -15.412 -4.278 1.00 0.00 C ATOM 872 NE ARG A 54 -18.612 -15.339 -2.879 1.00 0.00 N ATOM 873 CZ ARG A 54 -18.500 -14.208 -2.167 1.00 0.00 C ATOM 874 NH1 ARG A 54 -18.779 -13.025 -2.727 1.00 0.00 N ATOM 875 NH2 ARG A 54 -18.106 -14.266 -0.891 1.00 0.00 N ATOM 0 H ARG A 54 -15.250 -17.981 -7.120 1.00 0.00 H new ATOM 0 HA ARG A 54 -17.964 -16.994 -6.970 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -17.027 -16.842 -4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.887 -15.666 -5.202 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -17.486 -14.075 -4.912 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -18.372 -14.807 -6.235 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -19.924 -14.761 -4.418 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -19.387 -16.427 -4.504 1.00 0.00 H new ATOM 0 HE ARG A 54 -18.368 -16.214 -2.416 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -19.079 -12.980 -3.701 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.692 -12.169 -2.180 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.892 -15.167 -0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.019 -13.409 -0.345 1.00 0.00 H new ATOM 889 N GLU A 55 -17.241 -15.377 -8.701 1.00 0.00 N ATOM 890 CA GLU A 55 -16.910 -14.392 -9.714 1.00 0.00 C ATOM 891 C GLU A 55 -16.427 -13.108 -9.030 1.00 0.00 C ATOM 892 O GLU A 55 -17.231 -12.418 -8.410 1.00 0.00 O ATOM 893 CB GLU A 55 -18.143 -14.152 -10.597 1.00 0.00 C ATOM 894 CG GLU A 55 -17.833 -13.216 -11.773 1.00 0.00 C ATOM 895 CD GLU A 55 -19.019 -13.084 -12.723 1.00 0.00 C ATOM 896 OE1 GLU A 55 -20.143 -12.895 -12.211 1.00 0.00 O ATOM 897 OE2 GLU A 55 -18.780 -13.172 -13.947 1.00 0.00 O ATOM 0 H GLU A 55 -18.220 -15.661 -8.720 1.00 0.00 H new ATOM 0 HA GLU A 55 -16.103 -14.747 -10.355 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -18.507 -15.106 -10.979 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -18.943 -13.724 -9.994 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.562 -12.231 -11.392 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.970 -13.594 -12.320 1.00 0.00 H new ATOM 904 N ILE A 56 -15.130 -12.806 -9.164 1.00 0.00 N ATOM 905 CA ILE A 56 -14.453 -11.630 -8.631 1.00 0.00 C ATOM 906 C ILE A 56 -14.501 -11.591 -7.099 1.00 0.00 C ATOM 907 O ILE A 56 -15.494 -11.195 -6.492 1.00 0.00 O ATOM 908 CB ILE A 56 -14.976 -10.335 -9.282 1.00 0.00 C ATOM 909 CG1 ILE A 56 -14.847 -10.335 -10.818 1.00 0.00 C ATOM 910 CG2 ILE A 56 -14.273 -9.103 -8.692 1.00 0.00 C ATOM 911 CD1 ILE A 56 -13.406 -10.366 -11.341 1.00 0.00 C ATOM 0 H ILE A 56 -14.493 -13.415 -9.678 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.399 -11.705 -8.898 1.00 0.00 H new ATOM 0 HB ILE A 56 -16.041 -10.288 -9.052 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -15.381 -11.199 -11.214 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -15.342 -9.447 -11.210 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -14.659 -8.201 -9.167 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -14.460 -9.056 -7.619 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.200 -9.176 -8.870 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -13.414 -10.364 -12.431 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -12.869 -9.489 -10.980 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -12.909 -11.268 -10.984 1.00 0.00 H new ATOM 923 N LYS A 57 -13.375 -11.931 -6.465 1.00 0.00 N ATOM 924 CA LYS A 57 -13.240 -11.829 -5.015 1.00 0.00 C ATOM 925 C LYS A 57 -13.046 -10.362 -4.609 1.00 0.00 C ATOM 926 O LYS A 57 -13.546 -9.933 -3.564 1.00 0.00 O ATOM 927 CB LYS A 57 -12.072 -12.712 -4.546 1.00 0.00 C ATOM 928 CG LYS A 57 -12.510 -14.166 -4.316 1.00 0.00 C ATOM 929 CD LYS A 57 -13.179 -14.415 -2.953 1.00 0.00 C ATOM 930 CE LYS A 57 -12.212 -14.262 -1.766 1.00 0.00 C ATOM 931 NZ LYS A 57 -12.306 -12.938 -1.120 1.00 0.00 N ATOM 0 H LYS A 57 -12.542 -12.280 -6.939 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.149 -12.186 -4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.276 -12.686 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.659 -12.307 -3.622 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.203 -14.454 -5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.638 -14.815 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.008 -13.718 -2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.602 -15.419 -2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.423 -15.037 -1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.191 -14.421 -2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.351 -12.592 -0.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.776 -12.270 -1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.858 -13.018 -0.242 1.00 0.00 H new ATOM 945 N GLY A 58 -12.365 -9.574 -5.447 1.00 0.00 N ATOM 946 CA GLY A 58 -12.261 -8.140 -5.251 1.00 0.00 C ATOM 947 C GLY A 58 -11.046 -7.558 -5.951 1.00 0.00 C ATOM 948 O GLY A 58 -10.566 -8.087 -6.959 1.00 0.00 O ATOM 0 H GLY A 58 -11.876 -9.918 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.163 -7.656 -5.627 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.204 -7.923 -4.184 1.00 0.00 H new ATOM 952 N TYR A 59 -10.565 -6.444 -5.401 1.00 0.00 N ATOM 953 CA TYR A 59 -9.322 -5.824 -5.825 1.00 0.00 C ATOM 954 C TYR A 59 -8.170 -6.429 -5.035 1.00 0.00 C ATOM 955 O TYR A 59 -8.389 -7.051 -3.999 1.00 0.00 O ATOM 956 CB TYR A 59 -9.394 -4.298 -5.656 1.00 0.00 C ATOM 957 CG TYR A 59 -10.209 -3.585 -6.719 1.00 0.00 C ATOM 958 CD1 TYR A 59 -9.803 -3.659 -8.064 1.00 0.00 C ATOM 959 CD2 TYR A 59 -11.291 -2.756 -6.366 1.00 0.00 C ATOM 960 CE1 TYR A 59 -10.434 -2.880 -9.045 1.00 0.00 C ATOM 961 CE2 TYR A 59 -11.942 -1.996 -7.354 1.00 0.00 C ATOM 962 CZ TYR A 59 -11.499 -2.036 -8.687 1.00 0.00 C ATOM 963 OH TYR A 59 -12.078 -1.231 -9.619 1.00 0.00 O ATOM 0 H TYR A 59 -11.034 -5.947 -4.644 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.154 -6.018 -6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.820 -4.073 -4.678 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.381 -3.896 -5.663 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.998 -4.322 -8.344 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.620 -2.704 -5.339 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.103 -2.929 -10.072 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.787 -1.378 -7.087 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.748 -1.472 -10.510 1.00 0.00 H new ATOM 973 N GLU A 60 -6.946 -6.237 -5.523 1.00 0.00 N ATOM 974 CA GLU A 60 -5.717 -6.544 -4.833 1.00 0.00 C ATOM 975 C GLU A 60 -4.757 -5.384 -5.093 1.00 0.00 C ATOM 976 O GLU A 60 -4.775 -4.809 -6.182 1.00 0.00 O ATOM 977 CB GLU A 60 -5.139 -7.857 -5.373 1.00 0.00 C ATOM 978 CG GLU A 60 -5.333 -9.043 -4.423 1.00 0.00 C ATOM 979 CD GLU A 60 -4.581 -10.280 -4.910 1.00 0.00 C ATOM 980 OE1 GLU A 60 -4.649 -10.545 -6.132 1.00 0.00 O ATOM 981 OE2 GLU A 60 -3.949 -10.937 -4.056 1.00 0.00 O ATOM 0 H GLU A 60 -6.788 -5.846 -6.452 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.881 -6.667 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.609 -8.086 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.074 -7.725 -5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.984 -8.773 -3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.395 -9.272 -4.338 1.00 0.00 H new ATOM 988 N TYR A 61 -3.916 -5.063 -4.111 1.00 0.00 N ATOM 989 CA TYR A 61 -2.838 -4.091 -4.216 1.00 0.00 C ATOM 990 C TYR A 61 -1.535 -4.830 -3.954 1.00 0.00 C ATOM 991 O TYR A 61 -1.406 -5.424 -2.886 1.00 0.00 O ATOM 992 CB TYR A 61 -3.048 -2.977 -3.185 1.00 0.00 C ATOM 993 CG TYR A 61 -4.276 -2.139 -3.468 1.00 0.00 C ATOM 994 CD1 TYR A 61 -4.220 -1.145 -4.459 1.00 0.00 C ATOM 995 CD2 TYR A 61 -5.492 -2.403 -2.811 1.00 0.00 C ATOM 996 CE1 TYR A 61 -5.391 -0.482 -4.859 1.00 0.00 C ATOM 997 CE2 TYR A 61 -6.669 -1.771 -3.247 1.00 0.00 C ATOM 998 CZ TYR A 61 -6.626 -0.846 -4.301 1.00 0.00 C ATOM 999 OH TYR A 61 -7.775 -0.244 -4.719 1.00 0.00 O ATOM 0 H TYR A 61 -3.972 -5.491 -3.187 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.815 -3.631 -5.204 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.136 -3.419 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -2.169 -2.332 -3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.274 -0.890 -4.914 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.521 -3.088 -1.976 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -5.341 0.307 -5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.610 -1.998 -2.769 1.00 0.00 H new ATOM 0 HH TYR A 61 -8.537 -0.617 -4.228 1.00 0.00 H new ATOM 1009 N GLN A 62 -0.598 -4.815 -4.910 1.00 0.00 N ATOM 1010 CA GLN A 62 0.690 -5.478 -4.790 1.00 0.00 C ATOM 1011 C GLN A 62 1.752 -4.406 -4.586 1.00 0.00 C ATOM 1012 O GLN A 62 1.919 -3.528 -5.435 1.00 0.00 O ATOM 1013 CB GLN A 62 0.957 -6.303 -6.055 1.00 0.00 C ATOM 1014 CG GLN A 62 2.081 -7.338 -5.891 1.00 0.00 C ATOM 1015 CD GLN A 62 3.478 -6.745 -6.045 1.00 0.00 C ATOM 1016 OE1 GLN A 62 3.936 -6.534 -7.162 1.00 0.00 O ATOM 1017 NE2 GLN A 62 4.187 -6.499 -4.946 1.00 0.00 N ATOM 0 H GLN A 62 -0.723 -4.332 -5.800 1.00 0.00 H new ATOM 0 HA GLN A 62 0.706 -6.161 -3.941 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.040 -6.818 -6.343 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.213 -5.628 -6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.997 -7.801 -4.908 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.947 -8.129 -6.629 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.784 -6.683 -4.027 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.133 -6.127 -5.022 1.00 0.00 H new ATOM 1026 N LEU A 63 2.470 -4.474 -3.462 1.00 0.00 N ATOM 1027 CA LEU A 63 3.532 -3.534 -3.171 1.00 0.00 C ATOM 1028 C LEU A 63 4.773 -4.254 -2.634 1.00 0.00 C ATOM 1029 O LEU A 63 4.703 -5.375 -2.127 1.00 0.00 O ATOM 1030 CB LEU A 63 2.990 -2.368 -2.320 1.00 0.00 C ATOM 1031 CG LEU A 63 2.028 -2.739 -1.175 1.00 0.00 C ATOM 1032 CD1 LEU A 63 2.801 -3.016 0.114 1.00 0.00 C ATOM 1033 CD2 LEU A 63 1.020 -1.611 -0.938 1.00 0.00 C ATOM 0 H LEU A 63 2.326 -5.179 -2.740 1.00 0.00 H new ATOM 0 HA LEU A 63 3.890 -3.061 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.839 -1.835 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.477 -1.671 -2.983 1.00 0.00 H new ATOM 0 HG LEU A 63 1.492 -3.643 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.102 -3.276 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.492 -3.844 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.362 -2.126 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.348 -1.889 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.552 -0.698 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.442 -1.443 -1.847 1.00 0.00 H new ATOM 1045 N TYR A 64 5.932 -3.632 -2.851 1.00 0.00 N ATOM 1046 CA TYR A 64 7.249 -4.151 -2.540 1.00 0.00 C ATOM 1047 C TYR A 64 7.895 -3.192 -1.545 1.00 0.00 C ATOM 1048 O TYR A 64 8.659 -2.296 -1.916 1.00 0.00 O ATOM 1049 CB TYR A 64 8.035 -4.266 -3.848 1.00 0.00 C ATOM 1050 CG TYR A 64 7.783 -5.536 -4.635 1.00 0.00 C ATOM 1051 CD1 TYR A 64 8.076 -6.783 -4.055 1.00 0.00 C ATOM 1052 CD2 TYR A 64 7.304 -5.479 -5.958 1.00 0.00 C ATOM 1053 CE1 TYR A 64 7.782 -7.965 -4.749 1.00 0.00 C ATOM 1054 CE2 TYR A 64 7.048 -6.667 -6.665 1.00 0.00 C ATOM 1055 CZ TYR A 64 7.241 -7.911 -6.045 1.00 0.00 C ATOM 1056 OH TYR A 64 6.844 -9.050 -6.679 1.00 0.00 O ATOM 0 H TYR A 64 5.971 -2.703 -3.271 1.00 0.00 H new ATOM 0 HA TYR A 64 7.218 -5.142 -2.087 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.790 -3.411 -4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 64 9.099 -4.201 -3.622 1.00 0.00 H new ATOM 0 HD1 TYR A 64 8.527 -6.830 -3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.133 -4.523 -6.430 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.972 -8.922 -4.285 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.702 -6.622 -7.687 1.00 0.00 H new ATOM 0 HH TYR A 64 6.494 -8.825 -7.566 1.00 0.00 H new ATOM 1066 N VAL A 65 7.559 -3.385 -0.269 1.00 0.00 N ATOM 1067 CA VAL A 65 8.120 -2.613 0.825 1.00 0.00 C ATOM 1068 C VAL A 65 9.493 -3.212 1.110 1.00 0.00 C ATOM 1069 O VAL A 65 9.610 -4.418 1.329 1.00 0.00 O ATOM 1070 CB VAL A 65 7.179 -2.658 2.043 1.00 0.00 C ATOM 1071 CG1 VAL A 65 7.802 -1.989 3.275 1.00 0.00 C ATOM 1072 CG2 VAL A 65 5.872 -1.933 1.703 1.00 0.00 C ATOM 0 H VAL A 65 6.884 -4.089 0.030 1.00 0.00 H new ATOM 0 HA VAL A 65 8.228 -1.557 0.577 1.00 0.00 H new ATOM 0 HB VAL A 65 6.995 -3.707 2.277 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.104 -2.044 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.726 -2.503 3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.019 -0.945 3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.204 -1.964 2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.087 -0.895 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.394 -2.424 0.855 1.00 0.00 H new ATOM 1082 N TYR A 66 10.535 -2.380 1.075 1.00 0.00 N ATOM 1083 CA TYR A 66 11.861 -2.832 1.427 1.00 0.00 C ATOM 1084 C TYR A 66 11.869 -2.946 2.938 1.00 0.00 C ATOM 1085 O TYR A 66 11.414 -2.032 3.628 1.00 0.00 O ATOM 1086 CB TYR A 66 12.934 -1.844 0.930 1.00 0.00 C ATOM 1087 CG TYR A 66 14.387 -2.292 1.034 1.00 0.00 C ATOM 1088 CD1 TYR A 66 14.725 -3.611 0.709 1.00 0.00 C ATOM 1089 CD2 TYR A 66 15.424 -1.349 1.190 1.00 0.00 C ATOM 1090 CE1 TYR A 66 16.055 -3.975 0.452 1.00 0.00 C ATOM 1091 CE2 TYR A 66 16.768 -1.731 1.024 1.00 0.00 C ATOM 1092 CZ TYR A 66 17.079 -3.035 0.607 1.00 0.00 C ATOM 1093 OH TYR A 66 18.350 -3.382 0.272 1.00 0.00 O ATOM 0 H TYR A 66 10.477 -1.398 0.807 1.00 0.00 H new ATOM 0 HA TYR A 66 12.096 -3.788 0.958 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.724 -1.613 -0.114 1.00 0.00 H new ATOM 0 HB3 TYR A 66 12.825 -0.915 1.490 1.00 0.00 H new ATOM 0 HD1 TYR A 66 13.949 -4.360 0.655 1.00 0.00 H new ATOM 0 HD2 TYR A 66 15.185 -0.326 1.439 1.00 0.00 H new ATOM 0 HE1 TYR A 66 16.288 -4.981 0.135 1.00 0.00 H new ATOM 0 HE2 TYR A 66 17.559 -1.022 1.217 1.00 0.00 H new ATOM 0 HH TYR A 66 18.807 -3.748 1.058 1.00 0.00 H new ATOM 1103 N ALA A 67 12.357 -4.063 3.466 1.00 0.00 N ATOM 1104 CA ALA A 67 12.506 -4.168 4.899 1.00 0.00 C ATOM 1105 C ALA A 67 13.703 -5.035 5.241 1.00 0.00 C ATOM 1106 O ALA A 67 14.017 -5.960 4.490 1.00 0.00 O ATOM 1107 CB ALA A 67 11.199 -4.633 5.538 1.00 0.00 C ATOM 0 H ALA A 67 12.647 -4.884 2.934 1.00 0.00 H new ATOM 0 HA ALA A 67 12.714 -3.186 5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.328 -4.707 6.618 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.410 -3.915 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.925 -5.609 5.138 1.00 0.00 H new ATOM 1113 N SER A 68 14.394 -4.719 6.343 1.00 0.00 N ATOM 1114 CA SER A 68 15.651 -5.361 6.721 1.00 0.00 C ATOM 1115 C SER A 68 16.729 -5.098 5.662 1.00 0.00 C ATOM 1116 O SER A 68 17.585 -4.236 5.841 1.00 0.00 O ATOM 1117 CB SER A 68 15.476 -6.862 7.041 1.00 0.00 C ATOM 1118 OG SER A 68 15.801 -7.104 8.394 1.00 0.00 O ATOM 0 H SER A 68 14.090 -4.002 7.002 1.00 0.00 H new ATOM 0 HA SER A 68 15.991 -4.908 7.652 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.448 -7.168 6.844 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.116 -7.459 6.391 1.00 0.00 H new ATOM 0 HG SER A 68 15.687 -8.057 8.592 1.00 0.00 H new ATOM 1124 N ASP A 69 16.648 -5.829 4.549 1.00 0.00 N ATOM 1125 CA ASP A 69 17.456 -5.707 3.352 1.00 0.00 C ATOM 1126 C ASP A 69 16.871 -6.594 2.239 1.00 0.00 C ATOM 1127 O ASP A 69 17.616 -7.118 1.416 1.00 0.00 O ATOM 1128 CB ASP A 69 18.917 -6.070 3.666 1.00 0.00 C ATOM 1129 CG ASP A 69 19.876 -5.674 2.546 1.00 0.00 C ATOM 1130 OD1 ASP A 69 19.932 -4.456 2.255 1.00 0.00 O ATOM 1131 OD2 ASP A 69 20.560 -6.581 2.031 1.00 0.00 O ATOM 0 H ASP A 69 15.960 -6.577 4.463 1.00 0.00 H new ATOM 0 HA ASP A 69 17.442 -4.676 2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 69 19.219 -5.576 4.589 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.991 -7.144 3.840 1.00 0.00 H new ATOM 1136 N LYS A 70 15.543 -6.791 2.211 1.00 0.00 N ATOM 1137 CA LYS A 70 14.861 -7.561 1.177 1.00 0.00 C ATOM 1138 C LYS A 70 13.550 -6.874 0.803 1.00 0.00 C ATOM 1139 O LYS A 70 12.870 -6.295 1.653 1.00 0.00 O ATOM 1140 CB LYS A 70 14.570 -9.001 1.634 1.00 0.00 C ATOM 1141 CG LYS A 70 15.817 -9.895 1.701 1.00 0.00 C ATOM 1142 CD LYS A 70 16.399 -9.968 3.114 1.00 0.00 C ATOM 1143 CE LYS A 70 17.620 -10.894 3.127 1.00 0.00 C ATOM 1144 NZ LYS A 70 18.184 -11.033 4.481 1.00 0.00 N ATOM 0 H LYS A 70 14.912 -6.413 2.917 1.00 0.00 H new ATOM 0 HA LYS A 70 15.521 -7.609 0.311 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.102 -8.972 2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.849 -9.450 0.951 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.561 -10.899 1.363 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.574 -9.512 1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.684 -8.971 3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.645 -10.337 3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.336 -11.876 2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.382 -10.501 2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.008 -11.667 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.478 -10.099 4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.465 -11.432 5.118 1.00 0.00 H new ATOM 1158 N LEU A 71 13.203 -6.940 -0.485 1.00 0.00 N ATOM 1159 CA LEU A 71 11.920 -6.489 -1.002 1.00 0.00 C ATOM 1160 C LEU A 71 10.878 -7.551 -0.649 1.00 0.00 C ATOM 1161 O LEU A 71 10.435 -8.311 -1.502 1.00 0.00 O ATOM 1162 CB LEU A 71 12.017 -6.281 -2.524 1.00 0.00 C ATOM 1163 CG LEU A 71 12.740 -5.017 -3.036 1.00 0.00 C ATOM 1164 CD1 LEU A 71 13.486 -4.194 -2.005 1.00 0.00 C ATOM 1165 CD2 LEU A 71 13.731 -5.403 -4.121 1.00 0.00 C ATOM 0 H LEU A 71 13.820 -7.316 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 71 11.631 -5.535 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.521 -7.149 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.004 -6.272 -2.926 1.00 0.00 H new ATOM 0 HG LEU A 71 11.929 -4.382 -3.393 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.949 -3.335 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.789 -3.847 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 71 14.257 -4.807 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.241 -4.510 -4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.464 -6.100 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.200 -5.877 -4.947 1.00 0.00 H new ATOM 1177 N PHE A 72 10.482 -7.607 0.621 1.00 0.00 N ATOM 1178 CA PHE A 72 9.374 -8.440 1.064 1.00 0.00 C ATOM 1179 C PHE A 72 8.141 -8.140 0.207 1.00 0.00 C ATOM 1180 O PHE A 72 7.701 -6.993 0.141 1.00 0.00 O ATOM 1181 CB PHE A 72 9.100 -8.155 2.543 1.00 0.00 C ATOM 1182 CG PHE A 72 10.105 -8.774 3.488 1.00 0.00 C ATOM 1183 CD1 PHE A 72 9.963 -10.106 3.917 1.00 0.00 C ATOM 1184 CD2 PHE A 72 11.173 -7.999 3.957 1.00 0.00 C ATOM 1185 CE1 PHE A 72 10.891 -10.653 4.823 1.00 0.00 C ATOM 1186 CE2 PHE A 72 12.077 -8.528 4.896 1.00 0.00 C ATOM 1187 CZ PHE A 72 11.942 -9.862 5.318 1.00 0.00 C ATOM 0 H PHE A 72 10.923 -7.074 1.370 1.00 0.00 H new ATOM 0 HA PHE A 72 9.620 -9.496 0.951 1.00 0.00 H new ATOM 0 HB2 PHE A 72 9.088 -7.076 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.106 -8.524 2.795 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.144 -10.708 3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.303 -6.990 3.596 1.00 0.00 H new ATOM 0 HE1 PHE A 72 10.795 -11.682 5.138 1.00 0.00 H new ATOM 0 HE2 PHE A 72 12.871 -7.912 5.291 1.00 0.00 H new ATOM 0 HZ PHE A 72 12.646 -10.279 6.023 1.00 0.00 H new ATOM 1197 N ARG A 73 7.587 -9.155 -0.467 1.00 0.00 N ATOM 1198 CA ARG A 73 6.415 -8.956 -1.290 1.00 0.00 C ATOM 1199 C ARG A 73 5.237 -8.784 -0.351 1.00 0.00 C ATOM 1200 O ARG A 73 4.968 -9.681 0.443 1.00 0.00 O ATOM 1201 CB ARG A 73 6.193 -10.143 -2.230 1.00 0.00 C ATOM 1202 CG ARG A 73 5.176 -9.747 -3.306 1.00 0.00 C ATOM 1203 CD ARG A 73 4.935 -10.930 -4.252 1.00 0.00 C ATOM 1204 NE ARG A 73 4.362 -10.487 -5.527 1.00 0.00 N ATOM 1205 CZ ARG A 73 4.128 -11.294 -6.573 1.00 0.00 C ATOM 1206 NH1 ARG A 73 4.341 -12.611 -6.472 1.00 0.00 N ATOM 1207 NH2 ARG A 73 3.690 -10.774 -7.723 1.00 0.00 N ATOM 0 H ARG A 73 7.938 -10.113 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 73 6.538 -8.076 -1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.135 -10.437 -2.693 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.831 -11.004 -1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.238 -9.445 -2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.543 -8.888 -3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.876 -11.449 -4.435 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.263 -11.646 -3.778 1.00 0.00 H new ATOM 0 HE ARG A 73 4.126 -9.500 -5.625 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.683 -13.007 -5.596 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.161 -13.219 -7.271 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.535 -9.769 -7.802 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.510 -11.382 -8.522 1.00 0.00 H new ATOM 1221 N ALA A 74 4.550 -7.646 -0.402 1.00 0.00 N ATOM 1222 CA ALA A 74 3.485 -7.358 0.532 1.00 0.00 C ATOM 1223 C ALA A 74 2.239 -6.945 -0.253 1.00 0.00 C ATOM 1224 O ALA A 74 2.237 -5.911 -0.919 1.00 0.00 O ATOM 1225 CB ALA A 74 4.000 -6.334 1.549 1.00 0.00 C ATOM 0 H ALA A 74 4.719 -6.910 -1.087 1.00 0.00 H new ATOM 0 HA ALA A 74 3.181 -8.227 1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.210 -6.103 2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.859 -6.747 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.297 -5.423 1.029 1.00 0.00 H new ATOM 1231 N ASP A 75 1.193 -7.782 -0.232 1.00 0.00 N ATOM 1232 CA ASP A 75 -0.021 -7.571 -1.011 1.00 0.00 C ATOM 1233 C ASP A 75 -1.191 -7.318 -0.051 1.00 0.00 C ATOM 1234 O ASP A 75 -1.056 -7.516 1.153 1.00 0.00 O ATOM 1235 CB ASP A 75 -0.230 -8.783 -1.934 1.00 0.00 C ATOM 1236 CG ASP A 75 -1.128 -8.491 -3.135 1.00 0.00 C ATOM 1237 OD1 ASP A 75 -2.341 -8.297 -2.917 1.00 0.00 O ATOM 1238 OD2 ASP A 75 -0.583 -8.483 -4.260 1.00 0.00 O ATOM 0 H ASP A 75 1.172 -8.631 0.333 1.00 0.00 H new ATOM 0 HA ASP A 75 0.054 -6.692 -1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.740 -9.128 -2.292 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.665 -9.598 -1.356 1.00 0.00 H new ATOM 1243 N ILE A 76 -2.330 -6.843 -0.540 1.00 0.00 N ATOM 1244 CA ILE A 76 -3.583 -6.781 0.206 1.00 0.00 C ATOM 1245 C ILE A 76 -4.658 -7.151 -0.791 1.00 0.00 C ATOM 1246 O ILE A 76 -4.559 -6.719 -1.936 1.00 0.00 O ATOM 1247 CB ILE A 76 -3.817 -5.372 0.804 1.00 0.00 C ATOM 1248 CG1 ILE A 76 -3.437 -5.354 2.297 1.00 0.00 C ATOM 1249 CG2 ILE A 76 -5.245 -4.834 0.571 1.00 0.00 C ATOM 1250 CD1 ILE A 76 -4.606 -5.346 3.281 1.00 0.00 C ATOM 0 H ILE A 76 -2.411 -6.481 -1.490 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.579 -7.459 1.060 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.161 -4.688 0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.817 -6.226 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.822 -4.474 2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.338 -3.843 1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.440 -4.770 -0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.967 -5.508 1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.223 -5.333 4.301 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.218 -4.460 3.112 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.213 -6.239 3.132 1.00 0.00 H new ATOM 1262 N SER A 77 -5.675 -7.897 -0.356 1.00 0.00 N ATOM 1263 CA SER A 77 -6.876 -8.147 -1.136 1.00 0.00 C ATOM 1264 C SER A 77 -8.032 -7.408 -0.477 1.00 0.00 C ATOM 1265 O SER A 77 -8.123 -7.392 0.750 1.00 0.00 O ATOM 1266 CB SER A 77 -7.152 -9.650 -1.223 1.00 0.00 C ATOM 1267 OG SER A 77 -7.945 -9.961 -2.355 1.00 0.00 O ATOM 0 H SER A 77 -5.682 -8.347 0.559 1.00 0.00 H new ATOM 0 HA SER A 77 -6.749 -7.784 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.208 -10.193 -1.277 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.660 -9.982 -0.318 1.00 0.00 H new ATOM 0 HG SER A 77 -8.105 -10.927 -2.387 1.00 0.00 H new ATOM 1273 N GLU A 78 -8.909 -6.809 -1.281 1.00 0.00 N ATOM 1274 CA GLU A 78 -10.127 -6.184 -0.822 1.00 0.00 C ATOM 1275 C GLU A 78 -11.294 -7.155 -0.979 1.00 0.00 C ATOM 1276 O GLU A 78 -11.206 -8.125 -1.730 1.00 0.00 O ATOM 1277 CB GLU A 78 -10.387 -4.910 -1.633 1.00 0.00 C ATOM 1278 CG GLU A 78 -9.333 -3.836 -1.341 1.00 0.00 C ATOM 1279 CD GLU A 78 -9.875 -2.443 -1.649 1.00 0.00 C ATOM 1280 OE1 GLU A 78 -10.496 -2.302 -2.725 1.00 0.00 O ATOM 1281 OE2 GLU A 78 -9.654 -1.544 -0.808 1.00 0.00 O ATOM 0 H GLU A 78 -8.780 -6.749 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.026 -5.921 0.231 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -10.382 -5.147 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -11.378 -4.523 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.033 -3.891 -0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.441 -4.024 -1.939 1.00 0.00 H new ATOM 1288 N ASP A 79 -12.393 -6.856 -0.285 1.00 0.00 N ATOM 1289 CA ASP A 79 -13.652 -7.579 -0.399 1.00 0.00 C ATOM 1290 C ASP A 79 -14.563 -6.825 -1.363 1.00 0.00 C ATOM 1291 O ASP A 79 -15.049 -5.754 -1.003 1.00 0.00 O ATOM 1292 CB ASP A 79 -14.316 -7.674 0.983 1.00 0.00 C ATOM 1293 CG ASP A 79 -15.590 -8.524 0.978 1.00 0.00 C ATOM 1294 OD1 ASP A 79 -16.100 -8.827 -0.123 1.00 0.00 O ATOM 1295 OD2 ASP A 79 -16.044 -8.846 2.097 1.00 0.00 O ATOM 0 H ASP A 79 -12.429 -6.088 0.385 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.473 -8.587 -0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.606 -8.098 1.693 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -14.557 -6.671 1.334 1.00 0.00 H new ATOM 1300 N TYR A 80 -14.821 -7.391 -2.547 1.00 0.00 N ATOM 1301 CA TYR A 80 -15.751 -6.825 -3.523 1.00 0.00 C ATOM 1302 C TYR A 80 -17.114 -6.414 -2.945 1.00 0.00 C ATOM 1303 O TYR A 80 -17.714 -5.473 -3.457 1.00 0.00 O ATOM 1304 CB TYR A 80 -15.961 -7.814 -4.679 1.00 0.00 C ATOM 1305 CG TYR A 80 -16.336 -7.192 -6.011 1.00 0.00 C ATOM 1306 CD1 TYR A 80 -15.480 -6.249 -6.613 1.00 0.00 C ATOM 1307 CD2 TYR A 80 -17.433 -7.694 -6.738 1.00 0.00 C ATOM 1308 CE1 TYR A 80 -15.714 -5.817 -7.928 1.00 0.00 C ATOM 1309 CE2 TYR A 80 -17.668 -7.259 -8.054 1.00 0.00 C ATOM 1310 CZ TYR A 80 -16.801 -6.330 -8.653 1.00 0.00 C ATOM 1311 OH TYR A 80 -16.987 -5.948 -9.948 1.00 0.00 O ATOM 0 H TYR A 80 -14.386 -8.261 -2.855 1.00 0.00 H new ATOM 0 HA TYR A 80 -15.284 -5.905 -3.874 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -15.045 -8.390 -4.812 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -16.742 -8.518 -4.394 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -14.639 -5.856 -6.060 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.096 -8.415 -6.283 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -15.057 -5.090 -8.382 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -18.516 -7.639 -8.605 1.00 0.00 H new ATOM 0 HH TYR A 80 -17.782 -6.393 -10.309 1.00 0.00 H new ATOM 1321 N LYS A 81 -17.631 -7.123 -1.927 1.00 0.00 N ATOM 1322 CA LYS A 81 -18.918 -6.817 -1.309 1.00 0.00 C ATOM 1323 C LYS A 81 -18.979 -5.332 -0.943 1.00 0.00 C ATOM 1324 O LYS A 81 -19.866 -4.599 -1.374 1.00 0.00 O ATOM 1325 CB LYS A 81 -19.090 -7.715 -0.070 1.00 0.00 C ATOM 1326 CG LYS A 81 -20.418 -7.531 0.674 1.00 0.00 C ATOM 1327 CD LYS A 81 -21.606 -7.824 -0.246 1.00 0.00 C ATOM 1328 CE LYS A 81 -22.879 -8.035 0.580 1.00 0.00 C ATOM 1329 NZ LYS A 81 -24.041 -8.302 -0.283 1.00 0.00 N ATOM 0 H LYS A 81 -17.160 -7.927 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 81 -19.735 -7.015 -2.003 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -19.003 -8.757 -0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.271 -7.518 0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.450 -8.195 1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.489 -6.511 1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.749 -6.997 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -21.401 -8.712 -0.844 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.735 -8.869 1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -23.071 -7.151 1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.887 -8.440 0.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -24.192 -7.495 -0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.866 -9.160 -0.845 1.00 0.00 H new ATOM 1343 N THR A 82 -18.025 -4.923 -0.111 1.00 0.00 N ATOM 1344 CA THR A 82 -17.776 -3.548 0.273 1.00 0.00 C ATOM 1345 C THR A 82 -16.395 -3.057 -0.215 1.00 0.00 C ATOM 1346 O THR A 82 -16.267 -2.661 -1.369 1.00 0.00 O ATOM 1347 CB THR A 82 -18.020 -3.479 1.784 1.00 0.00 C ATOM 1348 OG1 THR A 82 -19.322 -3.962 2.045 1.00 0.00 O ATOM 1349 CG2 THR A 82 -17.906 -2.061 2.319 1.00 0.00 C ATOM 0 H THR A 82 -17.378 -5.576 0.331 1.00 0.00 H new ATOM 0 HA THR A 82 -18.452 -2.845 -0.214 1.00 0.00 H new ATOM 0 HB THR A 82 -17.260 -4.083 2.281 1.00 0.00 H new ATOM 0 HG1 THR A 82 -19.497 -3.927 3.009 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.087 -2.062 3.394 1.00 0.00 H new ATOM 0 HG22 THR A 82 -16.906 -1.676 2.120 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.644 -1.426 1.828 1.00 0.00 H new ATOM 1357 N ARG A 83 -15.378 -3.021 0.659 1.00 0.00 N ATOM 1358 CA ARG A 83 -14.044 -2.477 0.408 1.00 0.00 C ATOM 1359 C ARG A 83 -13.197 -2.783 1.653 1.00 0.00 C ATOM 1360 O ARG A 83 -12.588 -1.906 2.261 1.00 0.00 O ATOM 1361 CB ARG A 83 -14.096 -0.976 0.045 1.00 0.00 C ATOM 1362 CG ARG A 83 -13.603 -0.714 -1.385 1.00 0.00 C ATOM 1363 CD ARG A 83 -13.567 0.790 -1.682 1.00 0.00 C ATOM 1364 NE ARG A 83 -13.133 1.042 -3.064 1.00 0.00 N ATOM 1365 CZ ARG A 83 -12.971 2.258 -3.603 1.00 0.00 C ATOM 1366 NH1 ARG A 83 -13.182 3.358 -2.871 1.00 0.00 N ATOM 1367 NH2 ARG A 83 -12.600 2.368 -4.883 1.00 0.00 N ATOM 0 H ARG A 83 -15.473 -3.390 1.605 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.584 -2.944 -0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -15.119 -0.613 0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.485 -0.411 0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.608 -1.139 -1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.258 -1.214 -2.098 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.556 1.220 -1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.889 1.286 -0.988 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.941 0.233 -3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.468 3.274 -1.896 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.057 4.280 -3.288 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.442 1.530 -5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.475 3.290 -5.300 1.00 0.00 H new ATOM 1381 N GLY A 84 -13.213 -4.052 2.072 1.00 0.00 N ATOM 1382 CA GLY A 84 -12.404 -4.515 3.190 1.00 0.00 C ATOM 1383 C GLY A 84 -10.920 -4.497 2.819 1.00 0.00 C ATOM 1384 O GLY A 84 -10.581 -4.187 1.681 1.00 0.00 O ATOM 0 H GLY A 84 -13.786 -4.780 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.576 -3.880 4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.703 -5.525 3.470 1.00 0.00 H new ATOM 1388 N ARG A 85 -10.042 -4.863 3.757 1.00 0.00 N ATOM 1389 CA ARG A 85 -8.611 -5.030 3.525 1.00 0.00 C ATOM 1390 C ARG A 85 -8.121 -6.268 4.267 1.00 0.00 C ATOM 1391 O ARG A 85 -7.951 -6.235 5.485 1.00 0.00 O ATOM 1392 CB ARG A 85 -7.793 -3.780 3.923 1.00 0.00 C ATOM 1393 CG ARG A 85 -8.607 -2.514 4.220 1.00 0.00 C ATOM 1394 CD ARG A 85 -9.174 -2.557 5.654 1.00 0.00 C ATOM 1395 NE ARG A 85 -10.638 -2.447 5.705 1.00 0.00 N ATOM 1396 CZ ARG A 85 -11.327 -1.304 5.572 1.00 0.00 C ATOM 1397 NH1 ARG A 85 -10.694 -0.171 5.255 1.00 0.00 N ATOM 1398 NH2 ARG A 85 -12.649 -1.303 5.771 1.00 0.00 N ATOM 0 H ARG A 85 -10.317 -5.055 4.720 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.457 -5.161 2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.200 -4.023 4.805 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.091 -3.557 3.119 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.977 -1.633 4.099 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.423 -2.423 3.503 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.870 -3.490 6.129 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.735 -1.746 6.235 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.171 -3.304 5.853 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.684 -0.174 5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.221 0.697 5.155 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.128 -2.168 6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.179 -0.437 5.672 1.00 0.00 H new ATOM 1412 N LYS A 86 -7.938 -7.374 3.545 1.00 0.00 N ATOM 1413 CA LYS A 86 -7.458 -8.623 4.102 1.00 0.00 C ATOM 1414 C LYS A 86 -5.943 -8.689 3.974 1.00 0.00 C ATOM 1415 O LYS A 86 -5.389 -8.592 2.876 1.00 0.00 O ATOM 1416 CB LYS A 86 -8.157 -9.808 3.440 1.00 0.00 C ATOM 1417 CG LYS A 86 -9.664 -9.823 3.741 1.00 0.00 C ATOM 1418 CD LYS A 86 -10.002 -9.966 5.239 1.00 0.00 C ATOM 1419 CE LYS A 86 -10.088 -8.636 6.020 1.00 0.00 C ATOM 1420 NZ LYS A 86 -11.348 -8.545 6.781 1.00 0.00 N ATOM 0 H LYS A 86 -8.124 -7.420 2.543 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.701 -8.673 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.002 -9.765 2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.707 -10.737 3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.109 -8.902 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.125 -10.646 3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.955 -10.487 5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.247 -10.597 5.708 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.242 -8.556 6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.018 -7.798 5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.378 -7.642 7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.154 -8.597 6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.402 -9.332 7.459 1.00 0.00 H new ATOM 1434 N LEU A 87 -5.297 -8.817 5.134 1.00 0.00 N ATOM 1435 CA LEU A 87 -3.861 -8.791 5.308 1.00 0.00 C ATOM 1436 C LEU A 87 -3.223 -9.922 4.502 1.00 0.00 C ATOM 1437 O LEU A 87 -3.256 -11.078 4.916 1.00 0.00 O ATOM 1438 CB LEU A 87 -3.587 -8.901 6.820 1.00 0.00 C ATOM 1439 CG LEU A 87 -2.167 -8.509 7.244 1.00 0.00 C ATOM 1440 CD1 LEU A 87 -2.142 -8.269 8.752 1.00 0.00 C ATOM 1441 CD2 LEU A 87 -1.123 -9.589 6.927 1.00 0.00 C ATOM 0 H LEU A 87 -5.794 -8.948 6.015 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.418 -7.867 4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.298 -8.268 7.351 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.776 -9.927 7.136 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.910 -7.612 6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.134 -7.990 9.059 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.834 -7.465 9.004 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.440 -9.180 9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.139 -9.250 7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.381 -10.509 7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.107 -9.775 5.853 1.00 0.00 H new ATOM 1453 N LEU A 88 -2.608 -9.562 3.374 1.00 0.00 N ATOM 1454 CA LEU A 88 -1.826 -10.446 2.516 1.00 0.00 C ATOM 1455 C LEU A 88 -0.380 -9.932 2.420 1.00 0.00 C ATOM 1456 O LEU A 88 0.373 -10.315 1.522 1.00 0.00 O ATOM 1457 CB LEU A 88 -2.517 -10.566 1.141 1.00 0.00 C ATOM 1458 CG LEU A 88 -3.091 -11.955 0.819 1.00 0.00 C ATOM 1459 CD1 LEU A 88 -2.004 -13.036 0.767 1.00 0.00 C ATOM 1460 CD2 LEU A 88 -4.216 -12.350 1.783 1.00 0.00 C ATOM 0 H LEU A 88 -2.644 -8.606 3.021 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.776 -11.449 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.325 -9.836 1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.799 -10.298 0.366 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.523 -11.882 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.459 -13.999 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.277 -12.784 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.502 -13.094 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.592 -13.338 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.831 -12.369 2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.026 -11.624 1.714 1.00 0.00 H new ATOM 1472 N ARG A 89 0.001 -8.998 3.301 1.00 0.00 N ATOM 1473 CA ARG A 89 1.352 -8.476 3.318 1.00 0.00 C ATOM 1474 C ARG A 89 2.322 -9.558 3.782 1.00 0.00 C ATOM 1475 O ARG A 89 1.919 -10.574 4.340 1.00 0.00 O ATOM 1476 CB ARG A 89 1.523 -7.151 4.090 1.00 0.00 C ATOM 1477 CG ARG A 89 0.455 -6.788 5.114 1.00 0.00 C ATOM 1478 CD ARG A 89 -0.746 -6.074 4.469 1.00 0.00 C ATOM 1479 NE ARG A 89 -0.457 -4.685 4.060 1.00 0.00 N ATOM 1480 CZ ARG A 89 -0.123 -4.245 2.834 1.00 0.00 C ATOM 1481 NH1 ARG A 89 -0.033 -5.071 1.787 1.00 0.00 N ATOM 1482 NH2 ARG A 89 0.116 -2.942 2.657 1.00 0.00 N ATOM 0 H ARG A 89 -0.615 -8.595 4.007 1.00 0.00 H new ATOM 0 HA ARG A 89 1.593 -8.203 2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.484 -7.183 4.604 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.578 -6.342 3.361 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.112 -7.693 5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.890 -6.145 5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.070 -6.641 3.596 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.578 -6.071 5.174 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.518 -3.977 4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.220 -6.067 1.905 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.223 -4.706 0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.044 -2.299 3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.371 -2.591 1.734 1.00 0.00 H new ATOM 1496 N PHE A 90 3.615 -9.289 3.593 1.00 0.00 N ATOM 1497 CA PHE A 90 4.701 -10.083 4.142 1.00 0.00 C ATOM 1498 C PHE A 90 4.667 -11.518 3.610 1.00 0.00 C ATOM 1499 O PHE A 90 4.383 -12.468 4.337 1.00 0.00 O ATOM 1500 CB PHE A 90 4.663 -9.999 5.672 1.00 0.00 C ATOM 1501 CG PHE A 90 5.651 -9.025 6.256 1.00 0.00 C ATOM 1502 CD1 PHE A 90 6.993 -9.409 6.422 1.00 0.00 C ATOM 1503 CD2 PHE A 90 5.236 -7.731 6.608 1.00 0.00 C ATOM 1504 CE1 PHE A 90 7.927 -8.488 6.920 1.00 0.00 C ATOM 1505 CE2 PHE A 90 6.167 -6.810 7.111 1.00 0.00 C ATOM 1506 CZ PHE A 90 7.512 -7.188 7.256 1.00 0.00 C ATOM 0 H PHE A 90 3.937 -8.494 3.041 1.00 0.00 H new ATOM 0 HA PHE A 90 5.658 -9.678 3.813 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.659 -9.714 5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.857 -10.989 6.085 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.305 -10.411 6.167 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.201 -7.445 6.492 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.960 -8.777 7.045 1.00 0.00 H new ATOM 0 HE2 PHE A 90 5.851 -5.814 7.386 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.232 -6.475 7.628 1.00 0.00 H new ATOM 1516 N ASN A 91 4.999 -11.668 2.330 1.00 0.00 N ATOM 1517 CA ASN A 91 5.051 -12.939 1.634 1.00 0.00 C ATOM 1518 C ASN A 91 6.304 -12.979 0.755 1.00 0.00 C ATOM 1519 O ASN A 91 6.991 -11.968 0.589 1.00 0.00 O ATOM 1520 CB ASN A 91 3.767 -13.112 0.817 1.00 0.00 C ATOM 1521 CG ASN A 91 3.478 -14.580 0.529 1.00 0.00 C ATOM 1522 OD1 ASN A 91 3.088 -15.325 1.418 1.00 0.00 O ATOM 1523 ND2 ASN A 91 3.685 -15.027 -0.705 1.00 0.00 N ATOM 0 H ASN A 91 5.246 -10.878 1.734 1.00 0.00 H new ATOM 0 HA ASN A 91 5.114 -13.768 2.339 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.928 -12.675 1.359 1.00 0.00 H new ATOM 0 HB3 ASN A 91 3.857 -12.567 -0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.519 -16.009 -0.926 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.010 -14.388 -1.431 1.00 0.00 H new ATOM 1530 N GLY A 92 6.612 -14.153 0.202 1.00 0.00 N ATOM 1531 CA GLY A 92 7.835 -14.390 -0.552 1.00 0.00 C ATOM 1532 C GLY A 92 8.870 -15.037 0.371 1.00 0.00 C ATOM 1533 O GLY A 92 8.664 -16.189 0.748 1.00 0.00 O ATOM 0 H GLY A 92 6.009 -14.973 0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.632 -15.039 -1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.220 -13.451 -0.950 1.00 0.00 H new ATOM 1537 N PRO A 93 9.950 -14.347 0.781 1.00 0.00 N ATOM 1538 CA PRO A 93 10.328 -12.984 0.419 1.00 0.00 C ATOM 1539 C PRO A 93 10.797 -12.913 -1.039 1.00 0.00 C ATOM 1540 O PRO A 93 11.051 -13.947 -1.653 1.00 0.00 O ATOM 1541 CB PRO A 93 11.463 -12.627 1.385 1.00 0.00 C ATOM 1542 CG PRO A 93 12.133 -13.975 1.650 1.00 0.00 C ATOM 1543 CD PRO A 93 10.946 -14.937 1.662 1.00 0.00 C ATOM 0 HA PRO A 93 9.492 -12.289 0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.157 -11.912 0.944 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.084 -12.178 2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.854 -14.230 0.873 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.670 -13.982 2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 93 11.241 -15.926 1.312 1.00 0.00 H new ATOM 0 HD3 PRO A 93 10.552 -15.060 2.671 1.00 0.00 H new ATOM 1551 N VAL A 94 10.905 -11.699 -1.593 1.00 0.00 N ATOM 1552 CA VAL A 94 11.405 -11.467 -2.945 1.00 0.00 C ATOM 1553 C VAL A 94 12.841 -10.919 -2.863 1.00 0.00 C ATOM 1554 O VAL A 94 13.095 -9.988 -2.095 1.00 0.00 O ATOM 1555 CB VAL A 94 10.426 -10.551 -3.720 1.00 0.00 C ATOM 1556 CG1 VAL A 94 11.095 -9.506 -4.628 1.00 0.00 C ATOM 1557 CG2 VAL A 94 9.491 -11.408 -4.574 1.00 0.00 C ATOM 0 H VAL A 94 10.643 -10.842 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 94 11.454 -12.398 -3.510 1.00 0.00 H new ATOM 0 HB VAL A 94 9.888 -9.993 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.328 -8.914 -5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 94 11.725 -8.851 -4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.707 -10.012 -5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.802 -10.763 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.078 -11.992 -5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.925 -12.081 -3.930 1.00 0.00 H new ATOM 1567 N PRO A 95 13.794 -11.487 -3.625 1.00 0.00 N ATOM 1568 CA PRO A 95 15.145 -10.958 -3.726 1.00 0.00 C ATOM 1569 C PRO A 95 15.142 -9.708 -4.616 1.00 0.00 C ATOM 1570 O PRO A 95 14.197 -9.497 -5.377 1.00 0.00 O ATOM 1571 CB PRO A 95 15.962 -12.092 -4.355 1.00 0.00 C ATOM 1572 CG PRO A 95 14.946 -12.772 -5.271 1.00 0.00 C ATOM 1573 CD PRO A 95 13.637 -12.647 -4.492 1.00 0.00 C ATOM 0 HA PRO A 95 15.560 -10.656 -2.764 1.00 0.00 H new ATOM 0 HB2 PRO A 95 16.819 -11.713 -4.912 1.00 0.00 H new ATOM 0 HB3 PRO A 95 16.350 -12.777 -3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 95 14.886 -12.280 -6.242 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.206 -13.814 -5.458 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.792 -12.517 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 95 13.443 -13.547 -3.908 1.00 0.00 H new ATOM 1581 N PRO A 96 16.179 -8.862 -4.546 1.00 0.00 N ATOM 1582 CA PRO A 96 16.237 -7.649 -5.343 1.00 0.00 C ATOM 1583 C PRO A 96 16.433 -7.947 -6.834 1.00 0.00 C ATOM 1584 O PRO A 96 17.034 -8.961 -7.185 1.00 0.00 O ATOM 1585 CB PRO A 96 17.384 -6.827 -4.749 1.00 0.00 C ATOM 1586 CG PRO A 96 18.307 -7.898 -4.165 1.00 0.00 C ATOM 1587 CD PRO A 96 17.328 -8.960 -3.664 1.00 0.00 C ATOM 0 HA PRO A 96 15.298 -7.097 -5.303 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.888 -6.230 -5.509 1.00 0.00 H new ATOM 0 HB3 PRO A 96 17.031 -6.136 -3.983 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.987 -8.299 -4.917 1.00 0.00 H new ATOM 0 HG3 PRO A 96 18.923 -7.503 -3.357 1.00 0.00 H new ATOM 0 HD2 PRO A 96 17.772 -9.955 -3.704 1.00 0.00 H new ATOM 0 HD3 PRO A 96 17.046 -8.778 -2.627 1.00 0.00 H new ATOM 1595 N PRO A 97 15.935 -7.065 -7.718 1.00 0.00 N ATOM 1596 CA PRO A 97 16.081 -7.213 -9.156 1.00 0.00 C ATOM 1597 C PRO A 97 17.550 -7.064 -9.564 1.00 0.00 C ATOM 1598 O PRO A 97 17.981 -7.850 -10.433 1.00 0.00 O ATOM 1599 CB PRO A 97 15.200 -6.118 -9.768 1.00 0.00 C ATOM 1600 CG PRO A 97 15.187 -5.028 -8.696 1.00 0.00 C ATOM 1601 CD PRO A 97 15.224 -5.835 -7.399 1.00 0.00 C ATOM 1602 OXT PRO A 97 18.211 -6.153 -9.014 1.00 0.00 O ATOM 0 HA PRO A 97 15.775 -8.199 -9.506 1.00 0.00 H new ATOM 0 HB2 PRO A 97 15.611 -5.751 -10.708 1.00 0.00 H new ATOM 0 HB3 PRO A 97 14.195 -6.484 -9.981 1.00 0.00 H new ATOM 0 HG2 PRO A 97 16.046 -4.363 -8.784 1.00 0.00 H new ATOM 0 HG3 PRO A 97 14.294 -4.406 -8.761 1.00 0.00 H new ATOM 0 HD2 PRO A 97 15.733 -5.283 -6.609 1.00 0.00 H new ATOM 0 HD3 PRO A 97 14.216 -6.047 -7.041 1.00 0.00 H new TER 1610 PRO A 97