USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 633 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 59 ASN : amide:sc= -0.0246 K(o=-0.71,f=-3.8) USER MOD Set 1.2: A 62 MET CE :methyl -141:sc= -0.688 (180deg=-1.48) USER MOD Set 2.1: A 49 THR OG1 : rot 123:sc= 1.16 USER MOD Set 2.2: A 52 GLN :FLIP amide:sc= 0.3 F(o=-0.96,f=1.5) USER MOD Single : A 1 ALA N :NH3+ -166:sc= -0.0667 (180deg=-0.269) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.118 F(o=-2.5!,f=-0.12) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.00093) USER MOD Single : A 8 SER OG : rot 29:sc= 0.188 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 157:sc= -0.062 (180deg=-0.744) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.705 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= -0.0821 (180deg=-0.45) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.0638 F(o=-2.6!,f=-0.064) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.0448 (180deg=-0.449) USER MOD Single : A 31 ASN :FLIP amide:sc= -5.13! C(o=-5.8!,f=-5.1!) USER MOD Single : A 32 MET CE :methyl 160:sc= -0.143 (180deg=-0.683) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.9!) USER MOD Single : A 54 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.282) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 161:sc= -0.127 (180deg=-0.619) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 163:sc= -0.0972 (180deg=-0.531) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.586 27.078 0.789 1.00 0.00 N ATOM 2 CA ALA A 1 -6.365 27.678 1.904 1.00 0.00 C ATOM 3 C ALA A 1 -6.020 27.011 3.231 1.00 0.00 C ATOM 4 O ALA A 1 -6.103 27.636 4.289 1.00 0.00 O ATOM 5 CB ALA A 1 -7.856 27.561 1.626 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.653 27.689 -0.050 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.589 26.986 1.072 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.970 26.138 0.564 1.00 0.00 H new ATOM 0 HA ALA A 1 -6.101 28.733 1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.416 28.004 2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.096 28.085 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.126 26.510 1.528 1.00 0.00 H new ATOM 13 N ASN A 2 -5.635 25.739 3.164 1.00 0.00 N ATOM 14 CA ASN A 2 -5.272 24.977 4.357 1.00 0.00 C ATOM 15 C ASN A 2 -6.437 24.903 5.342 1.00 0.00 C ATOM 16 O ASN A 2 -6.267 24.477 6.485 1.00 0.00 O ATOM 17 CB ASN A 2 -4.048 25.594 5.039 1.00 0.00 C ATOM 18 CG ASN A 2 -2.762 25.342 4.274 1.00 0.00 C ATOM 19 OD1 ASN A 2 -2.857 25.275 2.951 1.00 0.00 O flip ATOM 20 ND2 ASN A 2 -1.691 25.213 4.868 1.00 0.00 N flip ATOM 0 H ASN A 2 -5.566 25.212 2.293 1.00 0.00 H new ATOM 0 HA ASN A 2 -5.027 23.963 4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -4.199 26.668 5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.953 25.186 6.045 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.662 25.271 5.886 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.833 25.048 4.342 1.00 0.00 H new ATOM 27 N TRP A 3 -7.619 25.315 4.891 1.00 0.00 N ATOM 28 CA TRP A 3 -8.811 25.295 5.733 1.00 0.00 C ATOM 29 C TRP A 3 -10.055 24.972 4.911 1.00 0.00 C ATOM 30 O TRP A 3 -11.162 24.899 5.443 1.00 0.00 O ATOM 31 CB TRP A 3 -8.988 26.641 6.440 1.00 0.00 C ATOM 32 CG TRP A 3 -7.981 26.879 7.526 1.00 0.00 C ATOM 33 CD1 TRP A 3 -6.808 27.566 7.420 1.00 0.00 C ATOM 34 CD2 TRP A 3 -8.061 26.424 8.880 1.00 0.00 C ATOM 35 NE1 TRP A 3 -6.152 27.568 8.628 1.00 0.00 N ATOM 36 CE2 TRP A 3 -6.902 26.875 9.541 1.00 0.00 C ATOM 37 CE3 TRP A 3 -9.002 25.683 9.600 1.00 0.00 C ATOM 38 CZ2 TRP A 3 -6.660 26.605 10.887 1.00 0.00 C ATOM 39 CZ3 TRP A 3 -8.760 25.416 10.934 1.00 0.00 C ATOM 40 CH2 TRP A 3 -7.599 25.878 11.565 1.00 0.00 C ATOM 0 H TRP A 3 -7.777 25.667 3.947 1.00 0.00 H new ATOM 0 HA TRP A 3 -8.680 24.514 6.482 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -8.915 27.442 5.704 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -9.990 26.690 6.866 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -6.447 28.039 6.519 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -5.253 28.013 8.814 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -9.902 25.325 9.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -5.764 26.957 11.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -9.479 24.841 11.499 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.441 25.655 12.610 1.00 0.00 H new ATOM 51 N ILE A 4 -9.863 24.778 3.609 1.00 0.00 N ATOM 52 CA ILE A 4 -10.969 24.459 2.713 1.00 0.00 C ATOM 53 C ILE A 4 -10.584 23.332 1.758 1.00 0.00 C ATOM 54 O ILE A 4 -11.418 22.502 1.395 1.00 0.00 O ATOM 55 CB ILE A 4 -11.407 25.692 1.893 1.00 0.00 C ATOM 56 CG1 ILE A 4 -11.830 26.829 2.827 1.00 0.00 C ATOM 57 CG2 ILE A 4 -12.543 25.327 0.944 1.00 0.00 C ATOM 58 CD1 ILE A 4 -12.196 28.109 2.104 1.00 0.00 C ATOM 0 H ILE A 4 -8.953 24.836 3.152 1.00 0.00 H new ATOM 0 HA ILE A 4 -11.804 24.139 3.336 1.00 0.00 H new ATOM 0 HB ILE A 4 -10.560 26.031 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -12.683 26.501 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -11.018 27.036 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -12.839 26.208 0.374 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -12.209 24.548 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -13.395 24.964 1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.485 28.868 2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -11.338 28.462 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -13.029 27.919 1.427 1.00 0.00 H new ATOM 70 N HIS A 5 -9.316 23.309 1.360 1.00 0.00 N ATOM 71 CA HIS A 5 -8.817 22.286 0.446 1.00 0.00 C ATOM 72 C HIS A 5 -7.749 21.425 1.115 1.00 0.00 C ATOM 73 O HIS A 5 -7.846 20.199 1.122 1.00 0.00 O ATOM 74 CB HIS A 5 -8.244 22.937 -0.815 1.00 0.00 C ATOM 75 CG HIS A 5 -9.268 23.657 -1.636 1.00 0.00 C ATOM 76 ND1 HIS A 5 -9.856 23.109 -2.756 1.00 0.00 N ATOM 77 CD2 HIS A 5 -9.805 24.893 -1.499 1.00 0.00 C ATOM 78 CE1 HIS A 5 -10.711 23.974 -3.271 1.00 0.00 C ATOM 79 NE2 HIS A 5 -10.698 25.064 -2.527 1.00 0.00 N ATOM 0 H HIS A 5 -8.614 23.987 1.656 1.00 0.00 H new ATOM 0 HA HIS A 5 -9.654 21.644 0.171 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -7.462 23.639 -0.528 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.773 22.169 -1.429 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -9.574 25.610 -0.725 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -11.317 23.816 -4.151 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.261 25.899 -2.690 1.00 0.00 H new ATOM 88 N ALA A 6 -6.734 22.079 1.676 1.00 0.00 N ATOM 89 CA ALA A 6 -5.641 21.379 2.345 1.00 0.00 C ATOM 90 C ALA A 6 -4.916 20.443 1.384 1.00 0.00 C ATOM 91 O ALA A 6 -5.372 19.331 1.121 1.00 0.00 O ATOM 92 CB ALA A 6 -6.162 20.605 3.547 1.00 0.00 C ATOM 0 H ALA A 6 -6.646 23.095 1.680 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.926 22.126 2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.335 20.089 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.624 21.296 4.252 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.901 19.875 3.217 1.00 0.00 H new ATOM 98 N ARG A 7 -3.782 20.901 0.860 1.00 0.00 N ATOM 99 CA ARG A 7 -2.997 20.102 -0.075 1.00 0.00 C ATOM 100 C ARG A 7 -1.562 19.934 0.415 1.00 0.00 C ATOM 101 O ARG A 7 -0.964 20.871 0.945 1.00 0.00 O ATOM 102 CB ARG A 7 -2.999 20.752 -1.460 1.00 0.00 C ATOM 103 CG ARG A 7 -4.393 21.017 -2.007 1.00 0.00 C ATOM 104 CD ARG A 7 -4.334 21.629 -3.397 1.00 0.00 C ATOM 105 NE ARG A 7 -3.727 20.723 -4.368 1.00 0.00 N ATOM 106 CZ ARG A 7 -3.461 21.058 -5.627 1.00 0.00 C ATOM 107 NH1 ARG A 7 -3.747 22.276 -6.067 1.00 0.00 N ATOM 108 NH2 ARG A 7 -2.908 20.174 -6.445 1.00 0.00 N ATOM 0 H ARG A 7 -3.388 21.819 1.067 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.456 19.116 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.452 21.694 -1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.462 20.107 -2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.956 20.084 -2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.928 21.687 -1.335 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.342 21.887 -3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.763 22.557 -3.361 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.493 19.778 -4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.172 22.958 -5.439 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.542 22.530 -7.033 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.687 19.237 -6.109 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.704 20.431 -7.411 1.00 0.00 H new ATOM 122 N SER A 8 -1.020 18.735 0.232 1.00 0.00 N ATOM 123 CA SER A 8 0.347 18.437 0.651 1.00 0.00 C ATOM 124 C SER A 8 0.796 17.083 0.114 1.00 0.00 C ATOM 125 O SER A 8 0.131 16.069 0.325 1.00 0.00 O ATOM 126 CB SER A 8 0.451 18.451 2.177 1.00 0.00 C ATOM 127 OG SER A 8 -0.432 17.507 2.757 1.00 0.00 O ATOM 0 H SER A 8 -1.506 17.952 -0.204 1.00 0.00 H new ATOM 0 HA SER A 8 1.001 19.207 0.242 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.475 18.228 2.477 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.219 19.448 2.551 1.00 0.00 H new ATOM 0 HG SER A 8 -0.571 16.763 2.134 1.00 0.00 H new ATOM 133 N THR A 9 1.930 17.074 -0.578 1.00 0.00 N ATOM 134 CA THR A 9 2.470 15.845 -1.147 1.00 0.00 C ATOM 135 C THR A 9 3.976 15.751 -0.930 1.00 0.00 C ATOM 136 O THR A 9 4.600 14.747 -1.274 1.00 0.00 O ATOM 137 CB THR A 9 2.173 15.747 -2.655 1.00 0.00 C ATOM 138 OG1 THR A 9 2.664 16.913 -3.328 1.00 0.00 O ATOM 139 CG2 THR A 9 0.679 15.602 -2.904 1.00 0.00 C ATOM 0 H THR A 9 2.493 17.905 -0.758 1.00 0.00 H new ATOM 0 HA THR A 9 1.981 15.018 -0.632 1.00 0.00 H new ATOM 0 HB THR A 9 2.677 14.863 -3.046 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.473 16.842 -4.287 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.494 15.535 -3.976 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.315 14.698 -2.415 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.157 16.469 -2.499 1.00 0.00 H new ATOM 147 N ARG A 10 4.555 16.801 -0.356 1.00 0.00 N ATOM 148 CA ARG A 10 5.989 16.832 -0.093 1.00 0.00 C ATOM 149 C ARG A 10 6.294 16.309 1.306 1.00 0.00 C ATOM 150 O ARG A 10 5.897 16.914 2.303 1.00 0.00 O ATOM 151 CB ARG A 10 6.529 18.255 -0.248 1.00 0.00 C ATOM 152 CG ARG A 10 8.036 18.357 -0.069 1.00 0.00 C ATOM 153 CD ARG A 10 8.523 19.784 -0.255 1.00 0.00 C ATOM 154 NE ARG A 10 7.910 20.699 0.703 1.00 0.00 N ATOM 155 CZ ARG A 10 8.160 22.005 0.740 1.00 0.00 C ATOM 156 NH1 ARG A 10 9.006 22.547 -0.125 1.00 0.00 N ATOM 157 NH2 ARG A 10 7.563 22.769 1.644 1.00 0.00 N ATOM 0 H ARG A 10 4.054 17.640 -0.065 1.00 0.00 H new ATOM 0 HA ARG A 10 6.481 16.185 -0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.263 18.630 -1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.040 18.902 0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.310 18.005 0.925 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.534 17.705 -0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.607 19.815 -0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.297 20.115 -1.269 1.00 0.00 H new ATOM 0 HE ARG A 10 7.253 20.315 1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.467 21.962 -0.822 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.195 23.549 -0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.912 22.355 2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.755 23.770 1.672 1.00 0.00 H new ATOM 171 N LYS A 11 7.001 15.184 1.369 1.00 0.00 N ATOM 172 CA LYS A 11 7.364 14.562 2.640 1.00 0.00 C ATOM 173 C LYS A 11 6.122 14.152 3.428 1.00 0.00 C ATOM 174 O LYS A 11 5.701 12.996 3.375 1.00 0.00 O ATOM 175 CB LYS A 11 8.230 15.510 3.479 1.00 0.00 C ATOM 176 CG LYS A 11 8.650 14.930 4.822 1.00 0.00 C ATOM 177 CD LYS A 11 9.556 13.718 4.656 1.00 0.00 C ATOM 178 CE LYS A 11 10.910 14.102 4.080 1.00 0.00 C ATOM 179 NZ LYS A 11 11.769 12.910 3.839 1.00 0.00 N ATOM 0 H LYS A 11 7.336 14.681 0.548 1.00 0.00 H new ATOM 0 HA LYS A 11 7.940 13.664 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.123 15.770 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.680 16.435 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.168 15.694 5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.763 14.646 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.696 13.233 5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.075 12.991 4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.766 14.641 3.144 1.00 0.00 H new ATOM 0 HE3 LYS A 11 11.416 14.782 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.683 13.214 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.927 12.409 4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.298 12.273 3.165 1.00 0.00 H new ATOM 193 N LYS A 12 5.545 15.107 4.157 1.00 0.00 N ATOM 194 CA LYS A 12 4.349 14.859 4.961 1.00 0.00 C ATOM 195 C LYS A 12 4.637 13.868 6.087 1.00 0.00 C ATOM 196 O LYS A 12 5.520 13.017 5.973 1.00 0.00 O ATOM 197 CB LYS A 12 3.205 14.340 4.083 1.00 0.00 C ATOM 198 CG LYS A 12 1.881 14.198 4.820 1.00 0.00 C ATOM 199 CD LYS A 12 1.362 15.542 5.310 1.00 0.00 C ATOM 200 CE LYS A 12 0.042 15.393 6.050 1.00 0.00 C ATOM 201 NZ LYS A 12 0.159 14.472 7.215 1.00 0.00 N ATOM 0 H LYS A 12 5.890 16.066 4.207 1.00 0.00 H new ATOM 0 HA LYS A 12 4.048 15.807 5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.070 15.018 3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.487 13.371 3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.144 13.742 4.159 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.007 13.525 5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.100 16.000 5.969 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.231 16.214 4.462 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.294 16.371 6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.718 15.017 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.594 14.682 7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.067 13.488 6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.086 14.601 7.668 1.00 0.00 H new ATOM 215 N ARG A 13 3.885 13.986 7.177 1.00 0.00 N ATOM 216 CA ARG A 13 4.056 13.104 8.326 1.00 0.00 C ATOM 217 C ARG A 13 3.539 11.703 8.017 1.00 0.00 C ATOM 218 O ARG A 13 4.255 10.714 8.181 1.00 0.00 O ATOM 219 CB ARG A 13 3.322 13.674 9.542 1.00 0.00 C ATOM 220 CG ARG A 13 3.534 12.873 10.817 1.00 0.00 C ATOM 221 CD ARG A 13 2.718 13.438 11.968 1.00 0.00 C ATOM 222 NE ARG A 13 1.284 13.391 11.695 1.00 0.00 N ATOM 223 CZ ARG A 13 0.394 14.187 12.279 1.00 0.00 C ATOM 224 NH1 ARG A 13 0.788 15.089 13.169 1.00 0.00 N ATOM 225 NH2 ARG A 13 -0.892 14.083 11.974 1.00 0.00 N ATOM 0 H ARG A 13 3.150 14.685 7.289 1.00 0.00 H new ATOM 0 HA ARG A 13 5.121 13.037 8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.654 14.699 9.708 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.255 13.717 9.324 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.254 11.833 10.646 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.592 12.879 11.081 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.933 12.875 12.876 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.018 14.469 12.154 1.00 0.00 H new ATOM 0 HE ARG A 13 0.946 12.708 11.017 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.776 15.173 13.407 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.103 15.698 13.615 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.200 13.391 11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.574 14.695 12.423 1.00 0.00 H new ATOM 239 N CYS A 14 2.290 11.628 7.568 1.00 0.00 N ATOM 240 CA CYS A 14 1.670 10.350 7.236 1.00 0.00 C ATOM 241 C CYS A 14 0.843 10.466 5.955 1.00 0.00 C ATOM 242 O CYS A 14 -0.381 10.590 6.008 1.00 0.00 O ATOM 243 CB CYS A 14 0.784 9.877 8.391 1.00 0.00 C ATOM 244 SG CYS A 14 1.657 9.708 9.966 1.00 0.00 S ATOM 0 H CYS A 14 1.687 12.438 7.426 1.00 0.00 H new ATOM 0 HA CYS A 14 2.461 9.618 7.072 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.038 10.581 8.517 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.343 8.916 8.127 1.00 0.00 H new ATOM 0 HG CYS A 14 0.826 9.306 10.882 1.00 0.00 H new ATOM 250 N PRO A 15 1.505 10.438 4.783 1.00 0.00 N ATOM 251 CA PRO A 15 0.835 10.538 3.492 1.00 0.00 C ATOM 252 C PRO A 15 0.469 9.179 2.915 1.00 0.00 C ATOM 253 O PRO A 15 0.456 8.987 1.698 1.00 0.00 O ATOM 254 CB PRO A 15 1.894 11.207 2.633 1.00 0.00 C ATOM 255 CG PRO A 15 3.205 10.747 3.188 1.00 0.00 C ATOM 256 CD PRO A 15 2.963 10.320 4.618 1.00 0.00 C ATOM 0 HA PRO A 15 -0.111 11.076 3.553 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.789 10.922 1.586 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.808 12.293 2.678 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.601 9.918 2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.943 11.548 3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.303 9.299 4.793 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.497 10.959 5.321 1.00 0.00 H new ATOM 264 N TYR A 16 0.169 8.249 3.800 1.00 0.00 N ATOM 265 CA TYR A 16 -0.197 6.898 3.413 1.00 0.00 C ATOM 266 C TYR A 16 -1.410 6.894 2.491 1.00 0.00 C ATOM 267 O TYR A 16 -2.149 7.875 2.408 1.00 0.00 O ATOM 268 CB TYR A 16 -0.487 6.061 4.659 1.00 0.00 C ATOM 269 CG TYR A 16 -1.513 6.674 5.588 1.00 0.00 C ATOM 270 CD1 TYR A 16 -2.872 6.591 5.308 1.00 0.00 C ATOM 271 CD2 TYR A 16 -1.122 7.331 6.748 1.00 0.00 C ATOM 272 CE1 TYR A 16 -3.811 7.147 6.157 1.00 0.00 C ATOM 273 CE2 TYR A 16 -2.055 7.887 7.602 1.00 0.00 C ATOM 274 CZ TYR A 16 -3.397 7.793 7.302 1.00 0.00 C ATOM 275 OH TYR A 16 -4.328 8.348 8.151 1.00 0.00 O ATOM 0 H TYR A 16 0.172 8.407 4.808 1.00 0.00 H new ATOM 0 HA TYR A 16 0.641 6.464 2.869 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.835 5.076 4.349 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.443 5.912 5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.200 6.084 4.413 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.071 7.408 6.986 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.863 7.076 5.924 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.734 8.393 8.501 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.870 8.764 8.911 1.00 0.00 H new ATOM 285 N THR A 17 -1.607 5.775 1.803 1.00 0.00 N ATOM 286 CA THR A 17 -2.734 5.622 0.891 1.00 0.00 C ATOM 287 C THR A 17 -3.859 4.830 1.555 1.00 0.00 C ATOM 288 O THR A 17 -3.686 4.299 2.651 1.00 0.00 O ATOM 289 CB THR A 17 -2.314 4.918 -0.414 1.00 0.00 C ATOM 290 OG1 THR A 17 -3.427 4.847 -1.313 1.00 0.00 O ATOM 291 CG2 THR A 17 -1.794 3.515 -0.137 1.00 0.00 C ATOM 0 H THR A 17 -0.999 4.958 1.860 1.00 0.00 H new ATOM 0 HA THR A 17 -3.090 6.623 0.646 1.00 0.00 H new ATOM 0 HB THR A 17 -1.513 5.501 -0.868 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.151 4.400 -2.140 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.505 3.042 -1.076 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.928 3.572 0.522 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.576 2.925 0.341 1.00 0.00 H new ATOM 299 N LYS A 18 -5.006 4.751 0.886 1.00 0.00 N ATOM 300 CA LYS A 18 -6.159 4.030 1.421 1.00 0.00 C ATOM 301 C LYS A 18 -5.855 2.545 1.615 1.00 0.00 C ATOM 302 O LYS A 18 -6.388 1.910 2.523 1.00 0.00 O ATOM 303 CB LYS A 18 -7.365 4.190 0.495 1.00 0.00 C ATOM 304 CG LYS A 18 -7.117 3.688 -0.919 1.00 0.00 C ATOM 305 CD LYS A 18 -8.399 3.667 -1.741 1.00 0.00 C ATOM 306 CE LYS A 18 -9.357 2.592 -1.254 1.00 0.00 C ATOM 307 NZ LYS A 18 -8.766 1.231 -1.367 1.00 0.00 N ATOM 0 H LYS A 18 -5.163 5.177 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.389 4.461 2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.212 3.652 0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.644 5.243 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.381 4.326 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.693 2.685 -0.880 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.885 4.641 -1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.157 3.492 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.624 2.787 -0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.279 2.637 -1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.524 0.520 -1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.248 1.151 -2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.112 1.070 -0.575 1.00 0.00 H new ATOM 321 N TYR A 19 -5.003 1.997 0.754 1.00 0.00 N ATOM 322 CA TYR A 19 -4.645 0.585 0.831 1.00 0.00 C ATOM 323 C TYR A 19 -3.743 0.301 2.030 1.00 0.00 C ATOM 324 O TYR A 19 -4.028 -0.585 2.837 1.00 0.00 O ATOM 325 CB TYR A 19 -3.951 0.149 -0.460 1.00 0.00 C ATOM 326 CG TYR A 19 -4.177 -1.304 -0.801 1.00 0.00 C ATOM 327 CD1 TYR A 19 -5.317 -1.702 -1.485 1.00 0.00 C ATOM 328 CD2 TYR A 19 -3.256 -2.276 -0.436 1.00 0.00 C ATOM 329 CE1 TYR A 19 -5.533 -3.030 -1.799 1.00 0.00 C ATOM 330 CE2 TYR A 19 -3.464 -3.606 -0.746 1.00 0.00 C ATOM 331 CZ TYR A 19 -4.605 -3.979 -1.425 1.00 0.00 C ATOM 332 OH TYR A 19 -4.816 -5.302 -1.734 1.00 0.00 O ATOM 0 H TYR A 19 -4.549 2.508 -0.003 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.564 0.013 0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.309 0.768 -1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.880 0.330 -0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.047 -0.962 -1.777 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.363 -1.988 0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.424 -3.323 -2.334 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.736 -4.350 -0.458 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.067 -5.839 -1.400 1.00 0.00 H new ATOM 342 N GLN A 20 -2.654 1.055 2.137 1.00 0.00 N ATOM 343 CA GLN A 20 -1.707 0.884 3.234 1.00 0.00 C ATOM 344 C GLN A 20 -2.397 1.009 4.588 1.00 0.00 C ATOM 345 O GLN A 20 -2.105 0.254 5.515 1.00 0.00 O ATOM 346 CB GLN A 20 -0.582 1.916 3.128 1.00 0.00 C ATOM 347 CG GLN A 20 0.339 1.694 1.939 1.00 0.00 C ATOM 348 CD GLN A 20 1.407 2.764 1.819 1.00 0.00 C ATOM 349 OE1 GLN A 20 1.081 3.981 2.243 1.00 0.00 O flip ATOM 350 NE2 GLN A 20 2.513 2.503 1.345 1.00 0.00 N flip ATOM 0 H GLN A 20 -2.405 1.791 1.477 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.287 -0.119 3.157 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.020 2.912 3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.009 1.892 4.044 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.816 0.718 2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.254 1.673 1.024 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.723 1.555 1.031 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.220 3.234 1.266 1.00 0.00 H new ATOM 359 N THR A 21 -3.316 1.964 4.696 1.00 0.00 N ATOM 360 CA THR A 21 -4.042 2.187 5.941 1.00 0.00 C ATOM 361 C THR A 21 -5.151 1.157 6.128 1.00 0.00 C ATOM 362 O THR A 21 -5.576 0.894 7.250 1.00 0.00 O ATOM 363 CB THR A 21 -4.654 3.598 5.990 1.00 0.00 C ATOM 364 OG1 THR A 21 -5.250 3.829 7.272 1.00 0.00 O ATOM 365 CG2 THR A 21 -5.700 3.774 4.901 1.00 0.00 C ATOM 0 H THR A 21 -3.575 2.595 3.937 1.00 0.00 H new ATOM 0 HA THR A 21 -3.317 2.085 6.749 1.00 0.00 H new ATOM 0 HB THR A 21 -3.856 4.321 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.636 4.730 7.296 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.118 4.779 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.237 3.627 3.925 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.496 3.042 5.039 1.00 0.00 H new ATOM 373 N LEU A 22 -5.614 0.581 5.023 1.00 0.00 N ATOM 374 CA LEU A 22 -6.674 -0.419 5.064 1.00 0.00 C ATOM 375 C LEU A 22 -6.263 -1.614 5.924 1.00 0.00 C ATOM 376 O LEU A 22 -7.051 -2.114 6.725 1.00 0.00 O ATOM 377 CB LEU A 22 -7.022 -0.866 3.636 1.00 0.00 C ATOM 378 CG LEU A 22 -7.223 -2.370 3.431 1.00 0.00 C ATOM 379 CD1 LEU A 22 -8.523 -2.835 4.072 1.00 0.00 C ATOM 380 CD2 LEU A 22 -7.207 -2.712 1.949 1.00 0.00 C ATOM 0 H LEU A 22 -5.270 0.791 4.086 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.559 0.026 5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.933 -0.353 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.227 -0.532 2.969 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.399 -2.893 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.644 -3.907 3.913 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.496 -2.627 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.361 -2.304 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.351 -3.785 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.010 -2.175 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.249 -2.421 1.519 1.00 0.00 H new ATOM 392 N GLU A 23 -5.026 -2.063 5.754 1.00 0.00 N ATOM 393 CA GLU A 23 -4.514 -3.201 6.511 1.00 0.00 C ATOM 394 C GLU A 23 -4.094 -2.788 7.922 1.00 0.00 C ATOM 395 O GLU A 23 -4.385 -3.484 8.898 1.00 0.00 O ATOM 396 CB GLU A 23 -3.334 -3.829 5.762 1.00 0.00 C ATOM 397 CG GLU A 23 -3.757 -4.669 4.568 1.00 0.00 C ATOM 398 CD GLU A 23 -4.647 -5.833 4.957 1.00 0.00 C ATOM 399 OE1 GLU A 23 -4.108 -6.880 5.374 1.00 0.00 O ATOM 400 OE2 GLU A 23 -5.884 -5.698 4.846 1.00 0.00 O ATOM 0 H GLU A 23 -4.358 -1.657 5.099 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.312 -3.937 6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.666 -3.038 5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.765 -4.452 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.284 -4.037 3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.869 -5.049 4.063 1.00 0.00 H new ATOM 407 N LEU A 24 -3.421 -1.647 8.022 1.00 0.00 N ATOM 408 CA LEU A 24 -2.953 -1.141 9.309 1.00 0.00 C ATOM 409 C LEU A 24 -4.116 -0.816 10.243 1.00 0.00 C ATOM 410 O LEU A 24 -3.976 -0.891 11.463 1.00 0.00 O ATOM 411 CB LEU A 24 -2.090 0.107 9.103 1.00 0.00 C ATOM 412 CG LEU A 24 -0.798 -0.119 8.314 1.00 0.00 C ATOM 413 CD1 LEU A 24 -0.116 1.208 8.020 1.00 0.00 C ATOM 414 CD2 LEU A 24 0.141 -1.043 9.077 1.00 0.00 C ATOM 0 H LEU A 24 -3.187 -1.053 7.226 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.356 -1.925 9.774 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.685 0.860 8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.834 0.518 10.080 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.052 -0.595 7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.801 1.029 7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.784 1.838 7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.125 1.709 8.958 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.054 -1.191 8.500 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.389 -0.596 10.040 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.346 -2.004 9.239 1.00 0.00 H new ATOM 426 N GLU A 25 -5.261 -0.456 9.670 1.00 0.00 N ATOM 427 CA GLU A 25 -6.433 -0.113 10.472 1.00 0.00 C ATOM 428 C GLU A 25 -7.171 -1.364 10.943 1.00 0.00 C ATOM 429 O GLU A 25 -7.592 -1.440 12.097 1.00 0.00 O ATOM 430 CB GLU A 25 -7.385 0.798 9.685 1.00 0.00 C ATOM 431 CG GLU A 25 -8.120 0.096 8.553 1.00 0.00 C ATOM 432 CD GLU A 25 -9.056 1.023 7.802 1.00 0.00 C ATOM 433 OE1 GLU A 25 -8.601 1.676 6.841 1.00 0.00 O ATOM 434 OE2 GLU A 25 -10.246 1.095 8.176 1.00 0.00 O ATOM 0 H GLU A 25 -5.403 -0.394 8.662 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.081 0.425 11.352 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.117 1.221 10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.816 1.631 9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.393 -0.322 7.857 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.690 -0.740 8.958 1.00 0.00 H new ATOM 441 N LYS A 26 -7.322 -2.342 10.050 1.00 0.00 N ATOM 442 CA LYS A 26 -8.017 -3.585 10.383 1.00 0.00 C ATOM 443 C LYS A 26 -7.468 -4.197 11.666 1.00 0.00 C ATOM 444 O LYS A 26 -8.221 -4.738 12.475 1.00 0.00 O ATOM 445 CB LYS A 26 -7.907 -4.588 9.232 1.00 0.00 C ATOM 446 CG LYS A 26 -8.823 -4.268 8.061 1.00 0.00 C ATOM 447 CD LYS A 26 -8.679 -5.287 6.942 1.00 0.00 C ATOM 448 CE LYS A 26 -9.314 -6.617 7.315 1.00 0.00 C ATOM 449 NZ LYS A 26 -10.784 -6.493 7.522 1.00 0.00 N ATOM 0 H LYS A 26 -6.973 -2.298 9.093 1.00 0.00 H new ATOM 0 HA LYS A 26 -9.068 -3.345 10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.876 -4.614 8.880 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.142 -5.585 9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.858 -4.247 8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.593 -3.273 7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.145 -4.902 6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.623 -5.437 6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.119 -7.346 6.528 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.850 -6.998 8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.227 -7.430 7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.970 -6.106 8.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.183 -5.856 6.804 1.00 0.00 H new ATOM 463 N GLU A 27 -6.155 -4.113 11.847 1.00 0.00 N ATOM 464 CA GLU A 27 -5.522 -4.653 13.045 1.00 0.00 C ATOM 465 C GLU A 27 -5.559 -3.632 14.176 1.00 0.00 C ATOM 466 O GLU A 27 -5.733 -3.989 15.341 1.00 0.00 O ATOM 467 CB GLU A 27 -4.076 -5.062 12.749 1.00 0.00 C ATOM 468 CG GLU A 27 -3.337 -5.611 13.958 1.00 0.00 C ATOM 469 CD GLU A 27 -1.918 -6.034 13.627 1.00 0.00 C ATOM 470 OE1 GLU A 27 -1.009 -5.181 13.714 1.00 0.00 O ATOM 471 OE2 GLU A 27 -1.716 -7.216 13.281 1.00 0.00 O ATOM 0 H GLU A 27 -5.512 -3.679 11.185 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.078 -5.537 13.357 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.075 -5.815 11.961 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.535 -4.197 12.365 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.314 -4.853 14.741 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.884 -6.465 14.357 1.00 0.00 H new ATOM 478 N PHE A 28 -5.401 -2.363 13.818 1.00 0.00 N ATOM 479 CA PHE A 28 -5.428 -1.272 14.787 1.00 0.00 C ATOM 480 C PHE A 28 -6.683 -1.348 15.654 1.00 0.00 C ATOM 481 O PHE A 28 -6.726 -0.804 16.757 1.00 0.00 O ATOM 482 CB PHE A 28 -5.370 0.075 14.062 1.00 0.00 C ATOM 483 CG PHE A 28 -5.334 1.264 14.982 1.00 0.00 C ATOM 484 CD1 PHE A 28 -4.138 1.689 15.538 1.00 0.00 C ATOM 485 CD2 PHE A 28 -6.494 1.958 15.284 1.00 0.00 C ATOM 486 CE1 PHE A 28 -4.101 2.784 16.381 1.00 0.00 C ATOM 487 CE2 PHE A 28 -6.464 3.053 16.127 1.00 0.00 C ATOM 488 CZ PHE A 28 -5.265 3.467 16.675 1.00 0.00 C ATOM 0 H PHE A 28 -5.252 -2.062 12.855 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.557 -1.366 15.436 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.486 0.095 13.424 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.237 0.161 13.407 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.225 1.159 15.310 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.433 1.640 14.856 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.163 3.105 16.809 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -7.376 3.584 16.357 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.238 4.323 17.332 1.00 0.00 H new ATOM 498 N LEU A 29 -7.702 -2.028 15.139 1.00 0.00 N ATOM 499 CA LEU A 29 -8.971 -2.166 15.841 1.00 0.00 C ATOM 500 C LEU A 29 -8.814 -2.887 17.168 1.00 0.00 C ATOM 501 O LEU A 29 -9.092 -2.331 18.231 1.00 0.00 O ATOM 502 CB LEU A 29 -9.979 -2.925 14.971 1.00 0.00 C ATOM 503 CG LEU A 29 -10.033 -2.497 13.504 1.00 0.00 C ATOM 504 CD1 LEU A 29 -11.059 -3.324 12.745 1.00 0.00 C ATOM 505 CD2 LEU A 29 -10.353 -1.015 13.391 1.00 0.00 C ATOM 0 H LEU A 29 -7.672 -2.494 14.232 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.336 -1.159 16.043 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.742 -3.988 15.013 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.972 -2.803 15.404 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.053 -2.671 13.059 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.084 -3.006 11.703 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.786 -4.378 12.796 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.043 -3.182 13.191 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.387 -0.729 12.340 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.320 -0.815 13.853 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -9.582 -0.436 13.899 1.00 0.00 H new ATOM 517 N PHE A 30 -8.368 -4.128 17.096 1.00 0.00 N ATOM 518 CA PHE A 30 -8.207 -4.951 18.289 1.00 0.00 C ATOM 519 C PHE A 30 -6.749 -5.125 18.697 1.00 0.00 C ATOM 520 O PHE A 30 -6.402 -4.954 19.866 1.00 0.00 O ATOM 521 CB PHE A 30 -8.844 -6.323 18.065 1.00 0.00 C ATOM 522 CG PHE A 30 -9.886 -6.680 19.089 1.00 0.00 C ATOM 523 CD1 PHE A 30 -9.553 -6.784 20.429 1.00 0.00 C ATOM 524 CD2 PHE A 30 -11.197 -6.916 18.706 1.00 0.00 C ATOM 525 CE1 PHE A 30 -10.509 -7.113 21.371 1.00 0.00 C ATOM 526 CE2 PHE A 30 -12.157 -7.246 19.643 1.00 0.00 C ATOM 527 CZ PHE A 30 -11.813 -7.345 20.978 1.00 0.00 C ATOM 0 H PHE A 30 -8.110 -4.592 16.225 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.709 -4.429 19.103 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.298 -6.346 17.074 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.062 -7.083 18.075 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.535 -6.606 20.741 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.471 -6.841 17.664 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.237 -7.189 22.413 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -13.176 -7.426 19.333 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.562 -7.603 21.712 1.00 0.00 H new ATOM 537 N ASN A 31 -5.902 -5.457 17.732 1.00 0.00 N ATOM 538 CA ASN A 31 -4.485 -5.695 18.006 1.00 0.00 C ATOM 539 C ASN A 31 -4.333 -6.730 19.118 1.00 0.00 C ATOM 540 O ASN A 31 -3.405 -6.653 19.924 1.00 0.00 O ATOM 541 CB ASN A 31 -3.781 -4.406 18.423 1.00 0.00 C ATOM 542 CG ASN A 31 -4.059 -3.256 17.482 1.00 0.00 C ATOM 543 OD1 ASN A 31 -3.300 -3.186 16.395 1.00 0.00 O flip ATOM 544 ND2 ASN A 31 -4.949 -2.443 17.724 1.00 0.00 N flip ATOM 0 H ASN A 31 -6.167 -5.568 16.753 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.026 -6.065 17.090 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.100 -4.132 19.429 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.706 -4.582 18.467 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.508 -2.536 18.572 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.129 -1.676 17.077 1.00 0.00 H new ATOM 551 N MET A 32 -5.253 -7.694 19.151 1.00 0.00 N ATOM 552 CA MET A 32 -5.247 -8.743 20.162 1.00 0.00 C ATOM 553 C MET A 32 -3.839 -9.272 20.420 1.00 0.00 C ATOM 554 O MET A 32 -3.482 -9.573 21.560 1.00 0.00 O ATOM 555 CB MET A 32 -6.157 -9.887 19.719 1.00 0.00 C ATOM 556 CG MET A 32 -7.570 -9.444 19.378 1.00 0.00 C ATOM 557 SD MET A 32 -8.638 -10.821 18.910 1.00 0.00 S ATOM 558 CE MET A 32 -8.684 -11.752 20.440 1.00 0.00 C ATOM 0 H MET A 32 -6.018 -7.767 18.480 1.00 0.00 H new ATOM 0 HA MET A 32 -5.616 -8.314 21.093 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.718 -10.373 18.848 1.00 0.00 H new ATOM 0 HB3 MET A 32 -6.201 -10.633 20.512 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.002 -8.930 20.236 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.533 -8.724 18.561 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.552 -12.411 20.439 1.00 0.00 H new ATOM 0 HE2 MET A 32 -7.776 -12.348 20.531 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.752 -11.064 21.283 1.00 0.00 H new ATOM 568 N TYR A 33 -3.043 -9.367 19.358 1.00 0.00 N ATOM 569 CA TYR A 33 -1.676 -9.869 19.461 1.00 0.00 C ATOM 570 C TYR A 33 -1.012 -9.914 18.088 1.00 0.00 C ATOM 571 O TYR A 33 -1.658 -10.220 17.087 1.00 0.00 O ATOM 572 CB TYR A 33 -1.669 -11.270 20.077 1.00 0.00 C ATOM 573 CG TYR A 33 -0.281 -11.812 20.336 1.00 0.00 C ATOM 574 CD1 TYR A 33 0.449 -11.398 21.442 1.00 0.00 C ATOM 575 CD2 TYR A 33 0.296 -12.736 19.475 1.00 0.00 C ATOM 576 CE1 TYR A 33 1.717 -11.892 21.684 1.00 0.00 C ATOM 577 CE2 TYR A 33 1.564 -13.235 19.710 1.00 0.00 C ATOM 578 CZ TYR A 33 2.269 -12.809 20.817 1.00 0.00 C ATOM 579 OH TYR A 33 3.532 -13.303 21.055 1.00 0.00 O ATOM 0 H TYR A 33 -3.323 -9.102 18.414 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.115 -9.190 20.103 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.222 -11.247 21.016 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.198 -11.953 19.412 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.019 -10.679 22.124 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.254 -13.070 18.608 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.272 -11.561 22.549 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.000 -13.953 19.032 1.00 0.00 H new ATOM 0 HH TYR A 33 3.772 -13.940 20.350 1.00 0.00 H new ATOM 589 N LEU A 34 0.281 -9.611 18.052 1.00 0.00 N ATOM 590 CA LEU A 34 1.035 -9.627 16.804 1.00 0.00 C ATOM 591 C LEU A 34 1.845 -10.913 16.680 1.00 0.00 C ATOM 592 O LEU A 34 2.760 -11.159 17.466 1.00 0.00 O ATOM 593 CB LEU A 34 1.962 -8.410 16.721 1.00 0.00 C ATOM 594 CG LEU A 34 1.442 -7.250 15.866 1.00 0.00 C ATOM 595 CD1 LEU A 34 1.402 -7.645 14.397 1.00 0.00 C ATOM 596 CD2 LEU A 34 0.064 -6.811 16.336 1.00 0.00 C ATOM 0 H LEU A 34 0.829 -9.351 18.872 1.00 0.00 H new ATOM 0 HA LEU A 34 0.325 -9.583 15.978 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.144 -8.043 17.731 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.923 -8.732 16.321 1.00 0.00 H new ATOM 0 HG LEU A 34 2.127 -6.409 15.979 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.030 -6.809 13.805 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.406 -7.907 14.063 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.741 -8.502 14.269 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.286 -5.986 15.715 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.631 -7.647 16.256 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.121 -6.485 17.375 1.00 0.00 H new ATOM 608 N THR A 35 1.500 -11.729 15.688 1.00 0.00 N ATOM 609 CA THR A 35 2.191 -12.992 15.460 1.00 0.00 C ATOM 610 C THR A 35 2.871 -13.011 14.097 1.00 0.00 C ATOM 611 O THR A 35 2.567 -12.193 13.229 1.00 0.00 O ATOM 612 CB THR A 35 1.225 -14.188 15.547 1.00 0.00 C ATOM 613 OG1 THR A 35 1.907 -15.399 15.199 1.00 0.00 O ATOM 614 CG2 THR A 35 0.032 -13.990 14.621 1.00 0.00 C ATOM 0 H THR A 35 0.745 -11.537 15.029 1.00 0.00 H new ATOM 0 HA THR A 35 2.944 -13.081 16.243 1.00 0.00 H new ATOM 0 HB THR A 35 0.863 -14.257 16.573 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.285 -16.154 15.259 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.636 -14.848 14.700 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.504 -13.085 14.907 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.381 -13.896 13.593 1.00 0.00 H new ATOM 622 N ARG A 36 3.791 -13.953 13.919 1.00 0.00 N ATOM 623 CA ARG A 36 4.513 -14.095 12.662 1.00 0.00 C ATOM 624 C ARG A 36 3.545 -14.325 11.511 1.00 0.00 C ATOM 625 O ARG A 36 3.713 -13.777 10.420 1.00 0.00 O ATOM 626 CB ARG A 36 5.491 -15.263 12.751 1.00 0.00 C ATOM 627 CG ARG A 36 6.424 -15.368 11.558 1.00 0.00 C ATOM 628 CD ARG A 36 7.294 -16.609 11.644 1.00 0.00 C ATOM 629 NE ARG A 36 8.170 -16.745 10.483 1.00 0.00 N ATOM 630 CZ ARG A 36 9.119 -17.670 10.378 1.00 0.00 C ATOM 631 NH1 ARG A 36 9.311 -18.544 11.358 1.00 0.00 N ATOM 632 NH2 ARG A 36 9.875 -17.725 9.291 1.00 0.00 N ATOM 0 H ARG A 36 4.054 -14.632 14.633 1.00 0.00 H new ATOM 0 HA ARG A 36 5.065 -13.174 12.477 1.00 0.00 H new ATOM 0 HB2 ARG A 36 6.086 -15.159 13.659 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.927 -16.191 12.844 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.840 -15.394 10.638 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.056 -14.481 11.509 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.898 -16.566 12.551 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.660 -17.492 11.725 1.00 0.00 H new ATOM 0 HE ARG A 36 8.046 -16.093 9.708 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.729 -18.507 12.195 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.040 -19.252 11.274 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.729 -17.057 8.534 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.603 -18.435 9.211 1.00 0.00 H new ATOM 646 N ASP A 37 2.529 -15.139 11.769 1.00 0.00 N ATOM 647 CA ASP A 37 1.524 -15.460 10.761 1.00 0.00 C ATOM 648 C ASP A 37 0.749 -14.213 10.346 1.00 0.00 C ATOM 649 O ASP A 37 0.235 -14.134 9.230 1.00 0.00 O ATOM 650 CB ASP A 37 0.559 -16.518 11.297 1.00 0.00 C ATOM 651 CG ASP A 37 1.272 -17.791 11.711 1.00 0.00 C ATOM 652 OD1 ASP A 37 1.697 -17.878 12.882 1.00 0.00 O ATOM 653 OD2 ASP A 37 1.405 -18.699 10.865 1.00 0.00 O ATOM 0 H ASP A 37 2.378 -15.591 12.671 1.00 0.00 H new ATOM 0 HA ASP A 37 2.037 -15.854 9.884 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.018 -16.113 12.152 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.182 -16.751 10.532 1.00 0.00 H new ATOM 658 N ARG A 38 0.672 -13.241 11.249 1.00 0.00 N ATOM 659 CA ARG A 38 -0.043 -11.999 10.978 1.00 0.00 C ATOM 660 C ARG A 38 0.828 -11.024 10.193 1.00 0.00 C ATOM 661 O ARG A 38 0.417 -10.511 9.153 1.00 0.00 O ATOM 662 CB ARG A 38 -0.500 -11.354 12.289 1.00 0.00 C ATOM 663 CG ARG A 38 -1.319 -10.086 12.096 1.00 0.00 C ATOM 664 CD ARG A 38 -2.605 -10.360 11.333 1.00 0.00 C ATOM 665 NE ARG A 38 -3.467 -9.184 11.273 1.00 0.00 N ATOM 666 CZ ARG A 38 -4.588 -9.125 10.559 1.00 0.00 C ATOM 667 NH1 ARG A 38 -4.975 -10.170 9.838 1.00 0.00 N ATOM 668 NH2 ARG A 38 -5.322 -8.022 10.564 1.00 0.00 N ATOM 0 H ARG A 38 1.096 -13.289 12.175 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.918 -12.239 10.373 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.092 -12.076 12.851 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.377 -11.121 12.893 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.557 -9.655 13.068 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.726 -9.348 11.557 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.364 -10.684 10.321 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.142 -11.179 11.811 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.194 -8.360 11.809 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.413 -11.021 9.830 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.835 -10.122 9.291 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.028 -7.216 11.116 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.181 -7.979 10.016 1.00 0.00 H new ATOM 682 N ARG A 39 2.032 -10.772 10.695 1.00 0.00 N ATOM 683 CA ARG A 39 2.961 -9.857 10.039 1.00 0.00 C ATOM 684 C ARG A 39 3.263 -10.314 8.616 1.00 0.00 C ATOM 685 O ARG A 39 3.556 -9.501 7.740 1.00 0.00 O ATOM 686 CB ARG A 39 4.261 -9.761 10.840 1.00 0.00 C ATOM 687 CG ARG A 39 4.069 -9.221 12.249 1.00 0.00 C ATOM 688 CD ARG A 39 5.360 -9.282 13.051 1.00 0.00 C ATOM 689 NE ARG A 39 5.822 -10.654 13.241 1.00 0.00 N ATOM 690 CZ ARG A 39 6.664 -11.024 14.202 1.00 0.00 C ATOM 691 NH1 ARG A 39 7.129 -10.129 15.065 1.00 0.00 N ATOM 692 NH2 ARG A 39 7.041 -12.291 14.302 1.00 0.00 N ATOM 0 H ARG A 39 2.388 -11.189 11.555 1.00 0.00 H new ATOM 0 HA ARG A 39 2.493 -8.874 9.994 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.716 -10.750 10.898 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.961 -9.118 10.306 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.719 -8.190 12.200 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.296 -9.797 12.758 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.132 -8.707 12.539 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.205 -8.814 14.023 1.00 0.00 H new ATOM 0 HE ARG A 39 5.479 -11.370 12.600 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.841 -9.153 14.993 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.774 -10.417 15.800 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.685 -12.983 13.642 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.687 -12.574 15.039 1.00 0.00 H new ATOM 706 N TYR A 40 3.178 -11.621 8.393 1.00 0.00 N ATOM 707 CA TYR A 40 3.453 -12.198 7.082 1.00 0.00 C ATOM 708 C TYR A 40 2.310 -11.935 6.105 1.00 0.00 C ATOM 709 O TYR A 40 2.517 -11.358 5.037 1.00 0.00 O ATOM 710 CB TYR A 40 3.683 -13.703 7.213 1.00 0.00 C ATOM 711 CG TYR A 40 4.127 -14.365 5.928 1.00 0.00 C ATOM 712 CD1 TYR A 40 5.376 -14.095 5.382 1.00 0.00 C ATOM 713 CD2 TYR A 40 3.297 -15.258 5.260 1.00 0.00 C ATOM 714 CE1 TYR A 40 5.787 -14.697 4.208 1.00 0.00 C ATOM 715 CE2 TYR A 40 3.702 -15.864 4.085 1.00 0.00 C ATOM 716 CZ TYR A 40 4.946 -15.579 3.563 1.00 0.00 C ATOM 717 OH TYR A 40 5.352 -16.180 2.393 1.00 0.00 O ATOM 0 H TYR A 40 2.920 -12.303 9.106 1.00 0.00 H new ATOM 0 HA TYR A 40 4.351 -11.722 6.689 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.435 -13.881 7.982 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.761 -14.174 7.554 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.036 -13.403 5.884 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.321 -15.482 5.665 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.762 -14.478 3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.047 -16.557 3.578 1.00 0.00 H new ATOM 0 HH TYR A 40 4.644 -16.774 2.067 1.00 0.00 H new ATOM 727 N GLU A 41 1.108 -12.365 6.476 1.00 0.00 N ATOM 728 CA GLU A 41 -0.065 -12.192 5.625 1.00 0.00 C ATOM 729 C GLU A 41 -0.291 -10.723 5.278 1.00 0.00 C ATOM 730 O GLU A 41 -0.621 -10.391 4.140 1.00 0.00 O ATOM 731 CB GLU A 41 -1.308 -12.766 6.307 1.00 0.00 C ATOM 732 CG GLU A 41 -1.636 -12.110 7.638 1.00 0.00 C ATOM 733 CD GLU A 41 -2.855 -12.717 8.303 1.00 0.00 C ATOM 734 OE1 GLU A 41 -3.981 -12.271 7.997 1.00 0.00 O ATOM 735 OE2 GLU A 41 -2.684 -13.640 9.125 1.00 0.00 O ATOM 0 H GLU A 41 0.920 -12.836 7.361 1.00 0.00 H new ATOM 0 HA GLU A 41 0.117 -12.734 4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.162 -12.656 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.163 -13.835 6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.779 -12.202 8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.805 -11.045 7.482 1.00 0.00 H new ATOM 742 N VAL A 42 -0.113 -9.849 6.261 1.00 0.00 N ATOM 743 CA VAL A 42 -0.301 -8.419 6.052 1.00 0.00 C ATOM 744 C VAL A 42 0.830 -7.834 5.213 1.00 0.00 C ATOM 745 O VAL A 42 0.673 -6.786 4.588 1.00 0.00 O ATOM 746 CB VAL A 42 -0.386 -7.660 7.391 1.00 0.00 C ATOM 747 CG1 VAL A 42 -1.454 -8.273 8.282 1.00 0.00 C ATOM 748 CG2 VAL A 42 0.962 -7.649 8.095 1.00 0.00 C ATOM 0 H VAL A 42 0.161 -10.105 7.210 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.244 -8.297 5.518 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.664 -6.627 7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.501 -7.725 9.223 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.421 -8.218 7.782 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.207 -9.316 8.481 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.876 -7.108 9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.278 -8.673 8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.700 -7.158 7.460 1.00 0.00 H new ATOM 758 N ALA A 43 1.971 -8.517 5.206 1.00 0.00 N ATOM 759 CA ALA A 43 3.127 -8.065 4.442 1.00 0.00 C ATOM 760 C ALA A 43 3.008 -8.480 2.982 1.00 0.00 C ATOM 761 O ALA A 43 3.539 -7.819 2.090 1.00 0.00 O ATOM 762 CB ALA A 43 4.405 -8.623 5.045 1.00 0.00 C ATOM 0 H ALA A 43 2.119 -9.385 5.721 1.00 0.00 H new ATOM 0 HA ALA A 43 3.162 -6.976 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.261 -8.278 4.466 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.502 -8.279 6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.370 -9.712 5.028 1.00 0.00 H new ATOM 768 N ARG A 44 2.301 -9.579 2.751 1.00 0.00 N ATOM 769 CA ARG A 44 2.104 -10.101 1.411 1.00 0.00 C ATOM 770 C ARG A 44 1.098 -9.256 0.639 1.00 0.00 C ATOM 771 O ARG A 44 1.189 -9.121 -0.581 1.00 0.00 O ATOM 772 CB ARG A 44 1.623 -11.548 1.492 1.00 0.00 C ATOM 773 CG ARG A 44 2.675 -12.523 2.006 1.00 0.00 C ATOM 774 CD ARG A 44 3.798 -12.733 1.001 1.00 0.00 C ATOM 775 NE ARG A 44 4.683 -11.575 0.909 1.00 0.00 N ATOM 776 CZ ARG A 44 5.714 -11.501 0.072 1.00 0.00 C ATOM 777 NH1 ARG A 44 5.988 -12.514 -0.740 1.00 0.00 N ATOM 778 NH2 ARG A 44 6.472 -10.413 0.048 1.00 0.00 N ATOM 0 H ARG A 44 1.852 -10.128 3.484 1.00 0.00 H new ATOM 0 HA ARG A 44 3.055 -10.063 0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.750 -11.594 2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.299 -11.868 0.502 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.091 -12.148 2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.204 -13.480 2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.379 -13.610 1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.371 -12.940 0.020 1.00 0.00 H new ATOM 0 HE ARG A 44 4.500 -10.779 1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.407 -13.352 -0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.779 -12.454 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.264 -9.633 0.671 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.263 -10.356 -0.594 1.00 0.00 H new ATOM 792 N VAL A 45 0.137 -8.692 1.362 1.00 0.00 N ATOM 793 CA VAL A 45 -0.893 -7.861 0.752 1.00 0.00 C ATOM 794 C VAL A 45 -0.445 -6.404 0.668 1.00 0.00 C ATOM 795 O VAL A 45 -0.853 -5.669 -0.231 1.00 0.00 O ATOM 796 CB VAL A 45 -2.215 -7.944 1.540 1.00 0.00 C ATOM 797 CG1 VAL A 45 -2.611 -9.395 1.749 1.00 0.00 C ATOM 798 CG2 VAL A 45 -2.102 -7.224 2.876 1.00 0.00 C ATOM 0 H VAL A 45 0.050 -8.796 2.373 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.057 -8.242 -0.256 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.991 -7.448 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.546 -9.440 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.742 -9.879 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.829 -9.908 2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.049 -7.299 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.312 -7.683 3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.864 -6.174 2.705 1.00 0.00 H new ATOM 808 N LEU A 46 0.398 -5.996 1.610 1.00 0.00 N ATOM 809 CA LEU A 46 0.896 -4.626 1.649 1.00 0.00 C ATOM 810 C LEU A 46 2.231 -4.501 0.919 1.00 0.00 C ATOM 811 O LEU A 46 2.779 -3.405 0.798 1.00 0.00 O ATOM 812 CB LEU A 46 1.043 -4.160 3.100 1.00 0.00 C ATOM 813 CG LEU A 46 -0.268 -3.972 3.862 1.00 0.00 C ATOM 814 CD1 LEU A 46 0.018 -3.556 5.297 1.00 0.00 C ATOM 815 CD2 LEU A 46 -1.144 -2.940 3.166 1.00 0.00 C ATOM 0 H LEU A 46 0.751 -6.594 2.357 1.00 0.00 H new ATOM 0 HA LEU A 46 0.172 -3.990 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.655 -4.885 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.587 -3.216 3.108 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.806 -4.920 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.923 -3.424 5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.610 -4.328 5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.572 -2.617 5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.074 -2.818 3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.619 -1.986 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.368 -3.276 2.154 1.00 0.00 H new ATOM 827 N ASN A 47 2.748 -5.629 0.435 1.00 0.00 N ATOM 828 CA ASN A 47 4.020 -5.646 -0.285 1.00 0.00 C ATOM 829 C ASN A 47 5.141 -5.076 0.581 1.00 0.00 C ATOM 830 O ASN A 47 6.066 -4.438 0.077 1.00 0.00 O ATOM 831 CB ASN A 47 3.905 -4.849 -1.588 1.00 0.00 C ATOM 832 CG ASN A 47 2.910 -5.459 -2.557 1.00 0.00 C ATOM 833 OD1 ASN A 47 1.939 -6.097 -2.150 1.00 0.00 O ATOM 834 ND2 ASN A 47 3.148 -5.264 -3.849 1.00 0.00 N ATOM 0 H ASN A 47 2.305 -6.543 0.528 1.00 0.00 H new ATOM 0 HA ASN A 47 4.262 -6.682 -0.524 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.604 -3.827 -1.359 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.884 -4.794 -2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.513 -5.650 -4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.965 -4.729 -4.142 1.00 0.00 H new ATOM 841 N LEU A 48 5.054 -5.321 1.885 1.00 0.00 N ATOM 842 CA LEU A 48 6.057 -4.835 2.827 1.00 0.00 C ATOM 843 C LEU A 48 6.813 -5.997 3.461 1.00 0.00 C ATOM 844 O LEU A 48 6.544 -7.161 3.164 1.00 0.00 O ATOM 845 CB LEU A 48 5.399 -3.987 3.918 1.00 0.00 C ATOM 846 CG LEU A 48 4.443 -2.900 3.417 1.00 0.00 C ATOM 847 CD1 LEU A 48 3.943 -2.055 4.579 1.00 0.00 C ATOM 848 CD2 LEU A 48 5.122 -2.025 2.373 1.00 0.00 C ATOM 0 H LEU A 48 4.298 -5.854 2.314 1.00 0.00 H new ATOM 0 HA LEU A 48 6.766 -4.217 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.850 -4.649 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.183 -3.514 4.509 1.00 0.00 H new ATOM 0 HG LEU A 48 3.587 -3.386 2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.265 -1.288 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.415 -2.690 5.290 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.790 -1.581 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.425 -1.260 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.998 -1.548 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.430 -2.640 1.527 1.00 0.00 H new ATOM 860 N THR A 49 7.766 -5.675 4.330 1.00 0.00 N ATOM 861 CA THR A 49 8.556 -6.694 5.009 1.00 0.00 C ATOM 862 C THR A 49 7.924 -7.072 6.344 1.00 0.00 C ATOM 863 O THR A 49 7.208 -6.276 6.953 1.00 0.00 O ATOM 864 CB THR A 49 10.002 -6.221 5.251 1.00 0.00 C ATOM 865 OG1 THR A 49 10.538 -5.654 4.051 1.00 0.00 O ATOM 866 CG2 THR A 49 10.882 -7.377 5.703 1.00 0.00 C ATOM 0 H THR A 49 8.009 -4.716 4.580 1.00 0.00 H new ATOM 0 HA THR A 49 8.577 -7.567 4.357 1.00 0.00 H new ATOM 0 HB THR A 49 9.986 -5.466 6.037 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.831 -4.735 4.226 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.898 -7.018 5.867 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.489 -7.792 6.631 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.890 -8.150 4.935 1.00 0.00 H new ATOM 874 N GLU A 50 8.194 -8.294 6.792 1.00 0.00 N ATOM 875 CA GLU A 50 7.657 -8.790 8.054 1.00 0.00 C ATOM 876 C GLU A 50 8.144 -7.955 9.235 1.00 0.00 C ATOM 877 O GLU A 50 7.423 -7.769 10.214 1.00 0.00 O ATOM 878 CB GLU A 50 8.064 -10.251 8.255 1.00 0.00 C ATOM 879 CG GLU A 50 7.573 -11.176 7.154 1.00 0.00 C ATOM 880 CD GLU A 50 8.124 -12.581 7.286 1.00 0.00 C ATOM 881 OE1 GLU A 50 7.496 -13.402 7.986 1.00 0.00 O ATOM 882 OE2 GLU A 50 9.184 -12.862 6.687 1.00 0.00 O ATOM 0 H GLU A 50 8.785 -8.962 6.297 1.00 0.00 H new ATOM 0 HA GLU A 50 6.571 -8.713 8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.151 -10.312 8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.675 -10.600 9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.484 -11.213 7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.860 -10.767 6.185 1.00 0.00 H new ATOM 889 N ARG A 51 9.372 -7.457 9.136 1.00 0.00 N ATOM 890 CA ARG A 51 9.958 -6.650 10.203 1.00 0.00 C ATOM 891 C ARG A 51 9.508 -5.195 10.116 1.00 0.00 C ATOM 892 O ARG A 51 9.481 -4.487 11.121 1.00 0.00 O ATOM 893 CB ARG A 51 11.485 -6.718 10.144 1.00 0.00 C ATOM 894 CG ARG A 51 12.046 -8.134 10.174 1.00 0.00 C ATOM 895 CD ARG A 51 11.746 -8.836 11.491 1.00 0.00 C ATOM 896 NE ARG A 51 10.386 -9.370 11.536 1.00 0.00 N ATOM 897 CZ ARG A 51 10.081 -10.572 12.017 1.00 0.00 C ATOM 898 NH1 ARG A 51 11.034 -11.364 12.488 1.00 0.00 N ATOM 899 NH2 ARG A 51 8.820 -10.984 12.026 1.00 0.00 N ATOM 0 H ARG A 51 9.981 -7.597 8.330 1.00 0.00 H new ATOM 0 HA ARG A 51 9.611 -7.060 11.152 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.825 -6.223 9.234 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.896 -6.158 10.984 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.622 -8.710 9.351 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.124 -8.101 10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.458 -9.648 11.638 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.887 -8.136 12.314 1.00 0.00 H new ATOM 0 HE ARG A 51 9.628 -8.788 11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.005 -11.052 12.482 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.796 -12.285 12.856 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.083 -10.379 11.664 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.587 -11.906 12.395 1.00 0.00 H new ATOM 913 N GLN A 52 9.155 -4.752 8.916 1.00 0.00 N ATOM 914 CA GLN A 52 8.720 -3.376 8.711 1.00 0.00 C ATOM 915 C GLN A 52 7.358 -3.112 9.352 1.00 0.00 C ATOM 916 O GLN A 52 7.148 -2.065 9.964 1.00 0.00 O ATOM 917 CB GLN A 52 8.660 -3.047 7.218 1.00 0.00 C ATOM 918 CG GLN A 52 10.025 -2.894 6.569 1.00 0.00 C ATOM 919 CD GLN A 52 9.932 -2.547 5.097 1.00 0.00 C ATOM 920 OE1 GLN A 52 10.930 -2.962 4.327 1.00 0.00 O flip ATOM 921 NE2 GLN A 52 8.974 -1.910 4.657 1.00 0.00 N flip ATOM 0 H GLN A 52 9.161 -5.324 8.071 1.00 0.00 H new ATOM 0 HA GLN A 52 9.454 -2.730 9.194 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.110 -3.835 6.704 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.097 -2.124 7.081 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.585 -2.116 7.088 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.585 -3.822 6.686 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.229 -1.611 5.286 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.926 -1.682 3.664 1.00 0.00 H new ATOM 930 N VAL A 53 6.438 -4.062 9.214 1.00 0.00 N ATOM 931 CA VAL A 53 5.098 -3.909 9.770 1.00 0.00 C ATOM 932 C VAL A 53 5.120 -3.818 11.295 1.00 0.00 C ATOM 933 O VAL A 53 4.420 -2.993 11.882 1.00 0.00 O ATOM 934 CB VAL A 53 4.167 -5.060 9.336 1.00 0.00 C ATOM 935 CG1 VAL A 53 4.101 -5.142 7.821 1.00 0.00 C ATOM 936 CG2 VAL A 53 4.625 -6.386 9.924 1.00 0.00 C ATOM 0 H VAL A 53 6.595 -4.943 8.724 1.00 0.00 H new ATOM 0 HA VAL A 53 4.708 -2.972 9.373 1.00 0.00 H new ATOM 0 HB VAL A 53 3.168 -4.852 9.719 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.441 -5.959 7.529 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.716 -4.204 7.422 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.099 -5.323 7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.951 -7.179 9.602 1.00 0.00 H new ATOM 0 HG22 VAL A 53 5.636 -6.607 9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.618 -6.323 11.012 1.00 0.00 H new ATOM 946 N LYS A 54 5.924 -4.663 11.931 1.00 0.00 N ATOM 947 CA LYS A 54 6.023 -4.668 13.389 1.00 0.00 C ATOM 948 C LYS A 54 6.717 -3.409 13.898 1.00 0.00 C ATOM 949 O LYS A 54 6.200 -2.722 14.780 1.00 0.00 O ATOM 950 CB LYS A 54 6.763 -5.917 13.872 1.00 0.00 C ATOM 951 CG LYS A 54 8.111 -6.129 13.203 1.00 0.00 C ATOM 952 CD LYS A 54 8.818 -7.361 13.743 1.00 0.00 C ATOM 953 CE LYS A 54 9.283 -7.152 15.176 1.00 0.00 C ATOM 954 NZ LYS A 54 9.900 -8.383 15.744 1.00 0.00 N ATOM 0 H LYS A 54 6.515 -5.351 11.464 1.00 0.00 H new ATOM 0 HA LYS A 54 5.011 -4.683 13.794 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.910 -5.847 14.950 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.137 -6.791 13.692 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.971 -6.232 12.127 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.738 -5.251 13.361 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.145 -8.217 13.699 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.675 -7.596 13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.005 -6.336 15.208 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.436 -6.853 15.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.547 -8.123 16.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.154 -9.007 16.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.430 -8.880 15.000 1.00 0.00 H new ATOM 968 N ILE A 55 7.889 -3.110 13.345 1.00 0.00 N ATOM 969 CA ILE A 55 8.641 -1.927 13.748 1.00 0.00 C ATOM 970 C ILE A 55 7.820 -0.661 13.512 1.00 0.00 C ATOM 971 O ILE A 55 8.007 0.347 14.194 1.00 0.00 O ATOM 972 CB ILE A 55 9.985 -1.831 12.992 1.00 0.00 C ATOM 973 CG1 ILE A 55 10.872 -3.027 13.345 1.00 0.00 C ATOM 974 CG2 ILE A 55 10.695 -0.523 13.319 1.00 0.00 C ATOM 975 CD1 ILE A 55 12.144 -3.103 12.528 1.00 0.00 C ATOM 0 H ILE A 55 8.337 -3.669 12.619 1.00 0.00 H new ATOM 0 HA ILE A 55 8.853 -2.020 14.813 1.00 0.00 H new ATOM 0 HB ILE A 55 9.784 -1.848 11.921 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.132 -2.976 14.402 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.303 -3.945 13.201 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.639 -0.476 12.776 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.065 0.316 13.025 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.890 -0.473 14.390 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.721 -3.976 12.834 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.893 -3.186 11.471 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.735 -2.202 12.690 1.00 0.00 H new ATOM 987 N TRP A 56 6.905 -0.723 12.546 1.00 0.00 N ATOM 988 CA TRP A 56 6.046 0.415 12.230 1.00 0.00 C ATOM 989 C TRP A 56 5.154 0.761 13.417 1.00 0.00 C ATOM 990 O TRP A 56 5.096 1.911 13.847 1.00 0.00 O ATOM 991 CB TRP A 56 5.183 0.113 11.002 1.00 0.00 C ATOM 992 CG TRP A 56 5.504 0.975 9.818 1.00 0.00 C ATOM 993 CD1 TRP A 56 6.311 0.654 8.764 1.00 0.00 C ATOM 994 CD2 TRP A 56 5.022 2.300 9.566 1.00 0.00 C ATOM 995 NE1 TRP A 56 6.360 1.699 7.873 1.00 0.00 N ATOM 996 CE2 TRP A 56 5.578 2.721 8.342 1.00 0.00 C ATOM 997 CE3 TRP A 56 4.175 3.172 10.256 1.00 0.00 C ATOM 998 CZ2 TRP A 56 5.312 3.974 7.796 1.00 0.00 C ATOM 999 CZ3 TRP A 56 3.913 4.416 9.713 1.00 0.00 C ATOM 1000 CH2 TRP A 56 4.480 4.807 8.493 1.00 0.00 C ATOM 0 H TRP A 56 6.740 -1.548 11.970 1.00 0.00 H new ATOM 0 HA TRP A 56 6.685 1.270 12.010 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.313 -0.933 10.725 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.133 0.246 11.264 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.834 -0.284 8.648 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.893 1.712 7.003 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.733 2.879 11.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.747 4.278 6.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.260 5.098 10.238 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.256 5.786 8.095 1.00 0.00 H new ATOM 1011 N PHE A 57 4.460 -0.247 13.942 1.00 0.00 N ATOM 1012 CA PHE A 57 3.571 -0.050 15.082 1.00 0.00 C ATOM 1013 C PHE A 57 4.362 0.354 16.322 1.00 0.00 C ATOM 1014 O PHE A 57 3.926 1.206 17.097 1.00 0.00 O ATOM 1015 CB PHE A 57 2.773 -1.324 15.366 1.00 0.00 C ATOM 1016 CG PHE A 57 1.678 -1.584 14.371 1.00 0.00 C ATOM 1017 CD1 PHE A 57 0.512 -0.837 14.396 1.00 0.00 C ATOM 1018 CD2 PHE A 57 1.813 -2.575 13.412 1.00 0.00 C ATOM 1019 CE1 PHE A 57 -0.499 -1.073 13.484 1.00 0.00 C ATOM 1020 CE2 PHE A 57 0.807 -2.815 12.495 1.00 0.00 C ATOM 1021 CZ PHE A 57 -0.352 -2.062 12.532 1.00 0.00 C ATOM 0 H PHE A 57 4.497 -1.206 13.596 1.00 0.00 H new ATOM 0 HA PHE A 57 2.878 0.754 14.834 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.454 -2.175 15.374 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.337 -1.255 16.363 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.391 -0.061 15.137 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.716 -3.167 13.381 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.404 -0.484 13.516 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.926 -3.589 11.751 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.141 -2.247 11.818 1.00 0.00 H new ATOM 1031 N GLN A 58 5.526 -0.266 16.501 1.00 0.00 N ATOM 1032 CA GLN A 58 6.382 0.030 17.647 1.00 0.00 C ATOM 1033 C GLN A 58 6.688 1.523 17.732 1.00 0.00 C ATOM 1034 O GLN A 58 6.343 2.180 18.715 1.00 0.00 O ATOM 1035 CB GLN A 58 7.687 -0.763 17.556 1.00 0.00 C ATOM 1036 CG GLN A 58 7.503 -2.264 17.706 1.00 0.00 C ATOM 1037 CD GLN A 58 8.810 -3.024 17.597 1.00 0.00 C ATOM 1038 OE1 GLN A 58 9.873 -2.507 17.943 1.00 0.00 O ATOM 1039 NE2 GLN A 58 8.739 -4.259 17.113 1.00 0.00 N ATOM 0 H GLN A 58 5.897 -0.975 15.869 1.00 0.00 H new ATOM 0 HA GLN A 58 5.847 -0.264 18.550 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.160 -0.558 16.595 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.370 -0.411 18.329 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.043 -2.476 18.671 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.814 -2.621 16.940 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.837 -4.648 16.838 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.586 -4.818 17.016 1.00 0.00 H new ATOM 1048 N ASN A 59 7.334 2.051 16.697 1.00 0.00 N ATOM 1049 CA ASN A 59 7.682 3.468 16.654 1.00 0.00 C ATOM 1050 C ASN A 59 6.429 4.335 16.707 1.00 0.00 C ATOM 1051 O ASN A 59 6.380 5.330 17.432 1.00 0.00 O ATOM 1052 CB ASN A 59 8.481 3.781 15.387 1.00 0.00 C ATOM 1053 CG ASN A 59 9.884 3.210 15.429 1.00 0.00 C ATOM 1054 OD1 ASN A 59 10.467 3.040 16.500 1.00 0.00 O ATOM 1055 ND2 ASN A 59 10.439 2.915 14.258 1.00 0.00 N ATOM 0 H ASN A 59 7.627 1.520 15.877 1.00 0.00 H new ATOM 0 HA ASN A 59 8.296 3.693 17.526 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.955 3.379 14.521 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.536 4.861 15.254 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.384 2.532 14.223 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.920 3.072 13.394 1.00 0.00 H new ATOM 1062 N ARG A 60 5.421 3.949 15.932 1.00 0.00 N ATOM 1063 CA ARG A 60 4.159 4.681 15.884 1.00 0.00 C ATOM 1064 C ARG A 60 3.534 4.773 17.274 1.00 0.00 C ATOM 1065 O ARG A 60 2.708 5.647 17.541 1.00 0.00 O ATOM 1066 CB ARG A 60 3.186 3.997 14.918 1.00 0.00 C ATOM 1067 CG ARG A 60 1.875 4.745 14.733 1.00 0.00 C ATOM 1068 CD ARG A 60 0.930 3.992 13.809 1.00 0.00 C ATOM 1069 NE ARG A 60 -0.334 4.700 13.626 1.00 0.00 N ATOM 1070 CZ ARG A 60 -1.291 4.299 12.792 1.00 0.00 C ATOM 1071 NH1 ARG A 60 -1.127 3.204 12.063 1.00 0.00 N ATOM 1072 NH2 ARG A 60 -2.415 4.996 12.687 1.00 0.00 N ATOM 0 H ARG A 60 5.453 3.129 15.326 1.00 0.00 H new ATOM 0 HA ARG A 60 4.364 5.691 15.528 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.670 3.886 13.948 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.972 2.993 15.284 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.398 4.891 15.702 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.074 5.735 14.323 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.408 3.848 12.840 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.735 3.001 14.219 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.493 5.550 14.168 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.265 2.665 12.140 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.863 2.901 11.425 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.546 5.839 13.245 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.148 4.688 12.048 1.00 0.00 H new ATOM 1086 N ARG A 61 3.928 3.857 18.153 1.00 0.00 N ATOM 1087 CA ARG A 61 3.410 3.830 19.516 1.00 0.00 C ATOM 1088 C ARG A 61 4.171 4.804 20.415 1.00 0.00 C ATOM 1089 O ARG A 61 3.574 5.490 21.243 1.00 0.00 O ATOM 1090 CB ARG A 61 3.506 2.412 20.088 1.00 0.00 C ATOM 1091 CG ARG A 61 2.844 2.256 21.448 1.00 0.00 C ATOM 1092 CD ARG A 61 1.330 2.358 21.349 1.00 0.00 C ATOM 1093 NE ARG A 61 0.681 2.134 22.638 1.00 0.00 N ATOM 1094 CZ ARG A 61 -0.637 2.104 22.809 1.00 0.00 C ATOM 1095 NH1 ARG A 61 -1.449 2.287 21.776 1.00 0.00 N ATOM 1096 NH2 ARG A 61 -1.147 1.891 24.016 1.00 0.00 N ATOM 0 H ARG A 61 4.605 3.123 17.945 1.00 0.00 H new ATOM 0 HA ARG A 61 2.365 4.138 19.485 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.046 1.715 19.388 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.557 2.133 20.171 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.117 1.292 21.878 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.217 3.024 22.125 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.057 3.344 20.972 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.964 1.628 20.627 1.00 0.00 H new ATOM 0 HE ARG A 61 1.274 1.992 23.456 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.063 2.451 20.846 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.460 2.263 21.911 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.527 1.750 24.814 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.158 1.868 24.146 1.00 0.00 H new ATOM 1110 N MET A 62 5.490 4.856 20.245 1.00 0.00 N ATOM 1111 CA MET A 62 6.335 5.738 21.047 1.00 0.00 C ATOM 1112 C MET A 62 5.885 7.194 20.950 1.00 0.00 C ATOM 1113 O MET A 62 5.786 7.884 21.963 1.00 0.00 O ATOM 1114 CB MET A 62 7.795 5.617 20.611 1.00 0.00 C ATOM 1115 CG MET A 62 8.273 4.181 20.492 1.00 0.00 C ATOM 1116 SD MET A 62 10.070 4.051 20.376 1.00 0.00 S ATOM 1117 CE MET A 62 10.398 5.077 18.944 1.00 0.00 C ATOM 0 H MET A 62 5.997 4.297 19.559 1.00 0.00 H new ATOM 0 HA MET A 62 6.240 5.424 22.087 1.00 0.00 H new ATOM 0 HB2 MET A 62 7.922 6.115 19.650 1.00 0.00 H new ATOM 0 HB3 MET A 62 8.425 6.143 21.328 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.927 3.615 21.357 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.822 3.724 19.611 1.00 0.00 H new ATOM 0 HE1 MET A 62 11.184 4.621 18.342 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.491 5.169 18.347 1.00 0.00 H new ATOM 0 HE3 MET A 62 10.720 6.066 19.271 1.00 0.00 H new ATOM 1127 N LYS A 63 5.621 7.657 19.730 1.00 0.00 N ATOM 1128 CA LYS A 63 5.187 9.036 19.518 1.00 0.00 C ATOM 1129 C LYS A 63 3.949 9.349 20.354 1.00 0.00 C ATOM 1130 O LYS A 63 3.768 10.476 20.816 1.00 0.00 O ATOM 1131 CB LYS A 63 4.890 9.286 18.038 1.00 0.00 C ATOM 1132 CG LYS A 63 3.719 8.478 17.510 1.00 0.00 C ATOM 1133 CD LYS A 63 3.277 8.961 16.139 1.00 0.00 C ATOM 1134 CE LYS A 63 2.029 8.231 15.673 1.00 0.00 C ATOM 1135 NZ LYS A 63 1.571 8.704 14.338 1.00 0.00 N ATOM 0 H LYS A 63 5.699 7.102 18.878 1.00 0.00 H new ATOM 0 HA LYS A 63 5.997 9.694 19.832 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.685 10.346 17.891 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.778 9.049 17.452 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.999 7.426 17.453 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.884 8.548 18.207 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.082 10.033 16.174 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.081 8.806 15.420 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.231 7.161 15.629 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.231 8.375 16.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.717 8.180 14.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.354 9.720 14.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.322 8.543 13.636 1.00 0.00 H new ATOM 1149 N MET A 64 3.103 8.342 20.542 1.00 0.00 N ATOM 1150 CA MET A 64 1.884 8.501 21.326 1.00 0.00 C ATOM 1151 C MET A 64 2.195 8.453 22.817 1.00 0.00 C ATOM 1152 O MET A 64 1.441 8.977 23.639 1.00 0.00 O ATOM 1153 CB MET A 64 0.879 7.405 20.968 1.00 0.00 C ATOM 1154 CG MET A 64 0.468 7.410 19.504 1.00 0.00 C ATOM 1155 SD MET A 64 -0.685 6.084 19.100 1.00 0.00 S ATOM 1156 CE MET A 64 -2.087 6.524 20.125 1.00 0.00 C ATOM 0 H MET A 64 3.240 7.406 20.161 1.00 0.00 H new ATOM 0 HA MET A 64 1.450 9.473 21.092 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.310 6.434 21.212 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.011 7.523 21.587 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.011 8.370 19.263 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.357 7.315 18.881 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.981 6.023 19.753 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.898 6.214 21.153 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.236 7.603 20.094 1.00 0.00 H new ATOM 1166 N LYS A 65 3.312 7.819 23.156 1.00 0.00 N ATOM 1167 CA LYS A 65 3.737 7.691 24.545 1.00 0.00 C ATOM 1168 C LYS A 65 4.477 8.943 25.011 1.00 0.00 C ATOM 1169 O LYS A 65 4.953 9.006 26.144 1.00 0.00 O ATOM 1170 CB LYS A 65 4.634 6.461 24.707 1.00 0.00 C ATOM 1171 CG LYS A 65 3.921 5.147 24.423 1.00 0.00 C ATOM 1172 CD LYS A 65 2.907 4.809 25.505 1.00 0.00 C ATOM 1173 CE LYS A 65 3.587 4.481 26.825 1.00 0.00 C ATOM 1174 NZ LYS A 65 2.600 4.134 27.885 1.00 0.00 N ATOM 0 H LYS A 65 3.943 7.383 22.483 1.00 0.00 H new ATOM 0 HA LYS A 65 2.847 7.572 25.163 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.488 6.554 24.037 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.027 6.439 25.723 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.417 5.208 23.459 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.654 4.344 24.349 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.228 5.650 25.644 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.302 3.960 25.186 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.275 3.648 26.682 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.183 5.334 27.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.102 3.917 28.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.959 4.938 28.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.048 3.304 27.587 1.00 0.00 H new ATOM 1188 N LYS A 66 4.567 9.937 24.132 1.00 0.00 N ATOM 1189 CA LYS A 66 5.252 11.185 24.456 1.00 0.00 C ATOM 1190 C LYS A 66 4.254 12.320 24.670 1.00 0.00 C ATOM 1191 O LYS A 66 4.610 13.495 24.585 1.00 0.00 O ATOM 1192 CB LYS A 66 6.234 11.561 23.342 1.00 0.00 C ATOM 1193 CG LYS A 66 7.310 10.514 23.097 1.00 0.00 C ATOM 1194 CD LYS A 66 8.193 10.320 24.321 1.00 0.00 C ATOM 1195 CE LYS A 66 9.211 9.211 24.105 1.00 0.00 C ATOM 1196 NZ LYS A 66 10.019 8.952 25.328 1.00 0.00 N ATOM 0 H LYS A 66 4.175 9.903 23.191 1.00 0.00 H new ATOM 0 HA LYS A 66 5.804 11.031 25.383 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.678 11.721 22.418 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.711 12.508 23.595 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.842 9.566 22.831 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.925 10.815 22.248 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.711 11.252 24.548 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.572 10.082 25.185 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.695 8.297 23.811 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.874 9.482 23.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.701 8.190 25.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.532 9.817 25.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.390 8.669 26.106 1.00 0.00 H new ATOM 1210 N MET A 67 3.005 11.961 24.954 1.00 0.00 N ATOM 1211 CA MET A 67 1.960 12.953 25.184 1.00 0.00 C ATOM 1212 C MET A 67 0.779 12.333 25.924 1.00 0.00 C ATOM 1213 O MET A 67 0.458 12.732 27.045 1.00 0.00 O ATOM 1214 CB MET A 67 1.491 13.551 23.856 1.00 0.00 C ATOM 1215 CG MET A 67 0.444 14.640 24.015 1.00 0.00 C ATOM 1216 SD MET A 67 -0.027 15.391 22.444 1.00 0.00 S ATOM 1217 CE MET A 67 -0.718 13.979 21.585 1.00 0.00 C ATOM 0 H MET A 67 2.693 10.993 25.030 1.00 0.00 H new ATOM 0 HA MET A 67 2.377 13.748 25.802 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.352 13.961 23.328 1.00 0.00 H new ATOM 0 HB3 MET A 67 1.083 12.755 23.233 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.442 14.220 24.492 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.828 15.413 24.681 1.00 0.00 H new ATOM 0 HE1 MET A 67 -1.317 14.323 20.742 1.00 0.00 H new ATOM 0 HE2 MET A 67 0.089 13.344 21.221 1.00 0.00 H new ATOM 0 HE3 MET A 67 -1.347 13.409 22.269 1.00 0.00 H new ATOM 1227 N ASN A 68 0.135 11.359 25.289 1.00 0.00 N ATOM 1228 CA ASN A 68 -1.011 10.683 25.886 1.00 0.00 C ATOM 1229 C ASN A 68 -0.699 9.213 26.149 1.00 0.00 C ATOM 1230 O ASN A 68 -0.244 8.896 27.268 1.00 0.00 O ATOM 1231 CB ASN A 68 -2.232 10.806 24.974 1.00 0.00 C ATOM 1232 CG ASN A 68 -3.467 10.157 25.570 1.00 0.00 C ATOM 1233 OD1 ASN A 68 -3.615 10.081 26.789 1.00 0.00 O ATOM 1234 ND2 ASN A 68 -4.362 9.684 24.710 1.00 0.00 N ATOM 1235 OXT ASN A 68 -0.912 8.390 25.233 1.00 0.00 O ATOM 0 H ASN A 68 0.388 11.020 24.361 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.230 11.163 26.840 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.435 11.860 24.783 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.011 10.345 24.011 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.212 9.237 25.053 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.199 9.768 23.707 1.00 0.00 H new TER 1242 ASN A 68