USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 960 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 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 123 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0479 (180deg=-0.187) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 60:sc= -4.95! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -22:sc= -3.31! USER MOD Single : A 35 ASN : amide:sc= -0.922 K(o=-0.92,f=-2.2!) USER MOD Single : A 37 ASN : amide:sc= -1.91 K(o=-1.9,f=-0.16) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.161) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 120:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -177:sc= -0.78 (180deg=-0.838) USER MOD Single : A 67 LYS NZ :NH3+ 167:sc=-0.00797 (180deg=-0.164) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.53) USER MOD Single : A 73 HIS : no HE2:sc= -10.3! C(o=-10!,f=-7!) USER MOD Single : A 75 MET CE :methyl 153:sc= -0.106 (180deg=-0.656) USER MOD Single : A 81 MET CE :methyl -155:sc= -2.33! (180deg=-3.91!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 84 HIS : no HD1:sc= -2.05! K(o=-2!,f=0.019) USER MOD Single : A 85 SER OG : rot 4:sc= 1.14 USER MOD Single : A 92 SER OG : rot -28:sc= 0.113 USER MOD Single : A 94 TYR OH : rot 37:sc= -0.37! USER MOD Single : A 95 GLN : amide:sc= -0.051 X(o=-0.051,f=-0.12) USER MOD Single : A 96 GLN : amide:sc= -2.16 K(o=-2.2,f=-3.8!) USER MOD Single : A 101 TYR OH : rot 21:sc= -1.13 USER MOD Single : A 104 LYS NZ :NH3+ -157:sc= 0.897 (180deg=0.19) USER MOD Single : A 120 SER OG : rot 90:sc= 0.00784 USER MOD Single : A 121 HIS : no HE2:sc= 0.402 K(o=0.4,f=-2.8!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.126 -17.502 -4.868 1.00 0.00 N ATOM 2 CA MET A 1 12.152 -16.673 -4.178 1.00 0.00 C ATOM 3 C MET A 1 11.541 -15.390 -3.628 1.00 0.00 C ATOM 4 O MET A 1 12.214 -14.365 -3.530 1.00 0.00 O ATOM 5 CB MET A 1 13.267 -16.338 -5.174 1.00 0.00 C ATOM 6 CG MET A 1 14.528 -15.793 -4.522 1.00 0.00 C ATOM 7 SD MET A 1 15.500 -14.765 -5.638 1.00 0.00 S ATOM 8 CE MET A 1 17.032 -14.629 -4.723 1.00 0.00 C ATOM 0 H1 MET A 1 11.595 -18.260 -5.404 1.00 0.00 H new ATOM 0 H2 MET A 1 10.487 -17.921 -4.163 1.00 0.00 H new ATOM 0 H3 MET A 1 10.578 -16.905 -5.520 1.00 0.00 H new ATOM 0 HA MET A 1 12.557 -17.236 -3.337 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.520 -17.236 -5.738 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.894 -15.606 -5.890 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.254 -15.209 -3.643 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.141 -16.625 -4.174 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.739 -14.019 -5.286 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.839 -14.162 -3.757 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.453 -15.623 -4.568 1.00 0.00 H new ATOM 20 N GLN A 2 10.256 -15.449 -3.281 1.00 0.00 N ATOM 21 CA GLN A 2 9.541 -14.289 -2.748 1.00 0.00 C ATOM 22 C GLN A 2 9.294 -13.240 -3.828 1.00 0.00 C ATOM 23 O GLN A 2 8.216 -12.651 -3.900 1.00 0.00 O ATOM 24 CB GLN A 2 10.307 -13.665 -1.573 1.00 0.00 C ATOM 25 CG GLN A 2 9.715 -14.003 -0.215 1.00 0.00 C ATOM 26 CD GLN A 2 10.772 -14.122 0.867 1.00 0.00 C ATOM 27 OE1 GLN A 2 11.148 -13.133 1.495 1.00 0.00 O ATOM 28 NE2 GLN A 2 11.258 -15.338 1.089 1.00 0.00 N ATOM 0 H GLN A 2 9.686 -16.291 -3.360 1.00 0.00 H new ATOM 0 HA GLN A 2 8.574 -14.642 -2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.342 -14.004 -1.604 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.323 -12.582 -1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.997 -13.233 0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.165 -14.941 -0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.917 -16.131 0.545 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.972 -15.479 1.804 1.00 0.00 H new ATOM 37 N ARG A 3 10.304 -13.012 -4.658 1.00 0.00 N ATOM 38 CA ARG A 3 10.227 -12.038 -5.741 1.00 0.00 C ATOM 39 C ARG A 3 10.472 -10.635 -5.218 1.00 0.00 C ATOM 40 O ARG A 3 11.356 -9.920 -5.691 1.00 0.00 O ATOM 41 CB ARG A 3 8.869 -12.112 -6.439 1.00 0.00 C ATOM 42 CG ARG A 3 8.924 -11.757 -7.913 1.00 0.00 C ATOM 43 CD ARG A 3 9.415 -12.926 -8.750 1.00 0.00 C ATOM 44 NE ARG A 3 8.832 -12.921 -10.091 1.00 0.00 N ATOM 45 CZ ARG A 3 9.546 -12.884 -11.219 1.00 0.00 C ATOM 46 NH1 ARG A 3 10.872 -12.832 -11.179 1.00 0.00 N ATOM 47 NH2 ARG A 3 8.927 -12.895 -12.392 1.00 0.00 N ATOM 0 H ARG A 3 11.200 -13.497 -4.600 1.00 0.00 H new ATOM 0 HA ARG A 3 11.003 -12.278 -6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.469 -13.120 -6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.175 -11.438 -5.937 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.933 -11.456 -8.253 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.584 -10.902 -8.058 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.502 -12.886 -8.827 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.165 -13.861 -8.249 1.00 0.00 H new ATOM 0 HE ARG A 3 7.815 -12.947 -10.170 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.355 -12.820 -10.281 1.00 0.00 H new ATOM 0 HH12 ARG A 3 11.408 -12.804 -12.047 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.908 -12.932 -12.431 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.470 -12.867 -13.255 1.00 0.00 H new ATOM 61 N GLY A 4 9.677 -10.254 -4.240 1.00 0.00 N ATOM 62 CA GLY A 4 9.798 -8.940 -3.649 1.00 0.00 C ATOM 63 C GLY A 4 9.197 -7.870 -4.531 1.00 0.00 C ATOM 64 O GLY A 4 9.914 -7.040 -5.087 1.00 0.00 O ATOM 0 H GLY A 4 8.941 -10.835 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.303 -8.931 -2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.850 -8.717 -3.472 1.00 0.00 H new ATOM 68 N ILE A 5 7.878 -7.891 -4.667 1.00 0.00 N ATOM 69 CA ILE A 5 7.191 -6.912 -5.494 1.00 0.00 C ATOM 70 C ILE A 5 6.432 -5.916 -4.632 1.00 0.00 C ATOM 71 O ILE A 5 5.447 -6.267 -3.984 1.00 0.00 O ATOM 72 CB ILE A 5 6.182 -7.580 -6.453 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.734 -8.886 -7.043 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.794 -6.615 -7.563 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.231 -8.889 -7.266 1.00 0.00 C ATOM 0 H ILE A 5 7.266 -8.572 -4.217 1.00 0.00 H new ATOM 0 HA ILE A 5 7.960 -6.403 -6.075 1.00 0.00 H new ATOM 0 HB ILE A 5 5.293 -7.834 -5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.477 -9.709 -6.376 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.237 -9.079 -7.994 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.082 -7.098 -8.233 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.338 -5.725 -7.129 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.684 -6.329 -8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.535 -9.849 -7.684 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.497 -8.091 -7.959 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.741 -8.730 -6.316 1.00 0.00 H new ATOM 87 N VAL A 6 6.882 -4.671 -4.638 1.00 0.00 N ATOM 88 CA VAL A 6 6.226 -3.626 -3.866 1.00 0.00 C ATOM 89 C VAL A 6 5.606 -2.584 -4.794 1.00 0.00 C ATOM 90 O VAL A 6 6.290 -2.011 -5.633 1.00 0.00 O ATOM 91 CB VAL A 6 7.210 -2.924 -2.909 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.370 -2.320 -3.682 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.478 -1.871 -2.096 1.00 0.00 C ATOM 0 H VAL A 6 7.696 -4.360 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 6 5.446 -4.106 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 6 7.624 -3.661 -2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.053 -1.829 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.900 -3.108 -4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.990 -1.589 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.179 -1.379 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.041 -1.132 -2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.688 -2.345 -1.514 1.00 0.00 H new ATOM 103 N TRP A 7 4.311 -2.343 -4.640 1.00 0.00 N ATOM 104 CA TRP A 7 3.617 -1.365 -5.474 1.00 0.00 C ATOM 105 C TRP A 7 3.085 -0.214 -4.616 1.00 0.00 C ATOM 106 O TRP A 7 2.520 -0.437 -3.547 1.00 0.00 O ATOM 107 CB TRP A 7 2.501 -2.059 -6.268 1.00 0.00 C ATOM 108 CG TRP A 7 3.043 -3.008 -7.304 1.00 0.00 C ATOM 109 CD1 TRP A 7 4.338 -3.078 -7.732 1.00 0.00 C ATOM 110 CD2 TRP A 7 2.328 -4.022 -8.030 1.00 0.00 C ATOM 111 NE1 TRP A 7 4.475 -4.057 -8.679 1.00 0.00 N ATOM 112 CE2 TRP A 7 3.260 -4.659 -8.877 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.996 -4.458 -8.051 1.00 0.00 C ATOM 114 CZ2 TRP A 7 2.905 -5.703 -9.729 1.00 0.00 C ATOM 115 CZ3 TRP A 7 0.648 -5.498 -8.898 1.00 0.00 C ATOM 116 CH2 TRP A 7 1.599 -6.110 -9.726 1.00 0.00 C ATOM 0 H TRP A 7 3.721 -2.807 -3.950 1.00 0.00 H new ATOM 0 HA TRP A 7 4.316 -0.934 -6.191 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.855 -2.605 -5.581 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.883 -1.306 -6.756 1.00 0.00 H new ATOM 0 HD1 TRP A 7 5.140 -2.450 -7.374 1.00 0.00 H new ATOM 0 HE1 TRP A 7 5.341 -4.299 -9.160 1.00 0.00 H new ATOM 0 HE3 TRP A 7 0.255 -3.992 -7.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 3.636 -6.174 -10.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -0.375 -5.843 -8.921 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.295 -6.919 -10.374 1.00 0.00 H new ATOM 127 N VAL A 8 3.315 1.019 -5.070 1.00 0.00 N ATOM 128 CA VAL A 8 2.900 2.208 -4.318 1.00 0.00 C ATOM 129 C VAL A 8 1.906 3.073 -5.095 1.00 0.00 C ATOM 130 O VAL A 8 2.159 3.453 -6.233 1.00 0.00 O ATOM 131 CB VAL A 8 4.120 3.091 -3.956 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.895 3.833 -2.640 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.400 2.263 -3.897 1.00 0.00 C ATOM 0 H VAL A 8 3.785 1.222 -5.952 1.00 0.00 H new ATOM 0 HA VAL A 8 2.417 1.835 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 8 4.234 3.834 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.769 4.444 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.017 4.473 -2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.738 3.112 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.240 2.909 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.296 1.486 -3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.580 1.802 -4.868 1.00 0.00 H new ATOM 143 N VAL A 9 0.789 3.415 -4.460 1.00 0.00 N ATOM 144 CA VAL A 9 -0.211 4.271 -5.093 1.00 0.00 C ATOM 145 C VAL A 9 -0.372 5.572 -4.309 1.00 0.00 C ATOM 146 O VAL A 9 -0.740 5.562 -3.133 1.00 0.00 O ATOM 147 CB VAL A 9 -1.586 3.585 -5.219 1.00 0.00 C ATOM 148 CG1 VAL A 9 -1.615 2.627 -6.395 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.940 2.864 -3.945 1.00 0.00 C ATOM 0 H VAL A 9 0.554 3.115 -3.514 1.00 0.00 H new ATOM 0 HA VAL A 9 0.153 4.480 -6.099 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.330 4.361 -5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.597 2.158 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.414 3.175 -7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.855 1.858 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.914 2.387 -4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.186 2.105 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.977 3.577 -3.121 1.00 0.00 H new ATOM 159 N ASP A 10 -0.081 6.687 -4.973 1.00 0.00 N ATOM 160 CA ASP A 10 -0.175 8.011 -4.363 1.00 0.00 C ATOM 161 C ASP A 10 0.064 9.086 -5.418 1.00 0.00 C ATOM 162 O ASP A 10 -0.297 8.917 -6.581 1.00 0.00 O ATOM 163 CB ASP A 10 0.822 8.140 -3.194 1.00 0.00 C ATOM 164 CG ASP A 10 0.407 9.218 -2.201 1.00 0.00 C ATOM 165 OD1 ASP A 10 -0.487 10.017 -2.547 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.979 9.274 -1.085 1.00 0.00 O ATOM 0 H ASP A 10 0.226 6.699 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.177 8.147 -3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.900 7.183 -2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.812 8.372 -3.587 1.00 0.00 H new ATOM 171 N ASP A 11 0.662 10.187 -5.011 1.00 0.00 N ATOM 172 CA ASP A 11 0.932 11.292 -5.923 1.00 0.00 C ATOM 173 C ASP A 11 1.935 10.904 -7.013 1.00 0.00 C ATOM 174 O ASP A 11 2.201 11.691 -7.921 1.00 0.00 O ATOM 175 CB ASP A 11 1.468 12.494 -5.145 1.00 0.00 C ATOM 176 CG ASP A 11 1.233 13.803 -5.870 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.118 14.354 -5.751 1.00 0.00 O ATOM 178 OD2 ASP A 11 2.161 14.276 -6.559 1.00 0.00 O ATOM 0 H ASP A 11 0.973 10.346 -4.053 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.009 11.550 -6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.989 12.533 -4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.536 12.364 -4.972 1.00 0.00 H new ATOM 183 N ASP A 12 2.479 9.691 -6.934 1.00 0.00 N ATOM 184 CA ASP A 12 3.434 9.216 -7.934 1.00 0.00 C ATOM 185 C ASP A 12 4.657 10.139 -8.017 1.00 0.00 C ATOM 186 O ASP A 12 5.059 10.726 -7.013 1.00 0.00 O ATOM 187 CB ASP A 12 2.740 9.108 -9.295 1.00 0.00 C ATOM 188 CG ASP A 12 3.233 7.927 -10.109 1.00 0.00 C ATOM 189 OD1 ASP A 12 4.451 7.860 -10.380 1.00 0.00 O ATOM 190 OD2 ASP A 12 2.402 7.069 -10.473 1.00 0.00 O ATOM 0 H ASP A 12 2.276 9.022 -6.192 1.00 0.00 H new ATOM 0 HA ASP A 12 3.790 8.230 -7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.664 9.017 -9.144 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.906 10.027 -9.857 1.00 0.00 H new ATOM 195 N SER A 13 5.235 10.264 -9.221 1.00 0.00 N ATOM 196 CA SER A 13 6.400 11.113 -9.461 1.00 0.00 C ATOM 197 C SER A 13 7.357 11.156 -8.268 1.00 0.00 C ATOM 198 O SER A 13 8.299 10.366 -8.190 1.00 0.00 O ATOM 199 CB SER A 13 5.925 12.509 -9.845 1.00 0.00 C ATOM 200 OG SER A 13 6.893 13.184 -10.632 1.00 0.00 O ATOM 0 H SER A 13 4.904 9.777 -10.053 1.00 0.00 H new ATOM 0 HA SER A 13 6.973 10.682 -10.282 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.989 12.438 -10.399 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.719 13.086 -8.944 1.00 0.00 H new ATOM 0 HG SER A 13 6.561 14.076 -10.865 1.00 0.00 H new ATOM 206 N SER A 14 7.114 12.075 -7.346 1.00 0.00 N ATOM 207 CA SER A 14 7.953 12.216 -6.163 1.00 0.00 C ATOM 208 C SER A 14 7.993 10.918 -5.364 1.00 0.00 C ATOM 209 O SER A 14 9.061 10.360 -5.125 1.00 0.00 O ATOM 210 CB SER A 14 7.440 13.357 -5.284 1.00 0.00 C ATOM 211 OG SER A 14 7.698 14.616 -5.880 1.00 0.00 O ATOM 0 H SER A 14 6.340 12.737 -7.394 1.00 0.00 H new ATOM 0 HA SER A 14 8.966 12.447 -6.492 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.368 13.241 -5.121 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.918 13.310 -4.306 1.00 0.00 H new ATOM 0 HG SER A 14 7.359 15.329 -5.299 1.00 0.00 H new ATOM 217 N ILE A 15 6.822 10.442 -4.957 1.00 0.00 N ATOM 218 CA ILE A 15 6.727 9.208 -4.185 1.00 0.00 C ATOM 219 C ILE A 15 7.283 8.024 -4.964 1.00 0.00 C ATOM 220 O ILE A 15 7.810 7.076 -4.384 1.00 0.00 O ATOM 221 CB ILE A 15 5.271 8.899 -3.783 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.604 10.129 -3.160 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.230 7.726 -2.814 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.243 10.574 -1.866 1.00 0.00 C ATOM 0 H ILE A 15 5.926 10.891 -5.148 1.00 0.00 H new ATOM 0 HA ILE A 15 7.321 9.361 -3.284 1.00 0.00 H new ATOM 0 HB ILE A 15 4.717 8.631 -4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.639 10.952 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.552 9.909 -2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.196 7.518 -2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.663 6.846 -3.290 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.802 7.973 -1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.718 11.449 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.184 9.768 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.288 10.827 -2.044 1.00 0.00 H new ATOM 236 N ARG A 16 7.148 8.082 -6.280 1.00 0.00 N ATOM 237 CA ARG A 16 7.621 7.012 -7.152 1.00 0.00 C ATOM 238 C ARG A 16 9.147 6.987 -7.245 1.00 0.00 C ATOM 239 O ARG A 16 9.776 5.970 -6.961 1.00 0.00 O ATOM 240 CB ARG A 16 7.024 7.164 -8.554 1.00 0.00 C ATOM 241 CG ARG A 16 7.444 6.061 -9.514 1.00 0.00 C ATOM 242 CD ARG A 16 7.363 6.513 -10.962 1.00 0.00 C ATOM 243 NE ARG A 16 8.447 7.425 -11.312 1.00 0.00 N ATOM 244 CZ ARG A 16 8.897 7.602 -12.552 1.00 0.00 C ATOM 245 NH1 ARG A 16 8.359 6.933 -13.564 1.00 0.00 N ATOM 246 NH2 ARG A 16 9.887 8.454 -12.779 1.00 0.00 N ATOM 0 H ARG A 16 6.713 8.862 -6.772 1.00 0.00 H new ATOM 0 HA ARG A 16 7.293 6.069 -6.715 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.937 7.175 -8.478 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.324 8.127 -8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.464 5.750 -9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.805 5.190 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.397 5.642 -11.616 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.406 7.005 -11.135 1.00 0.00 H new ATOM 0 HE ARG A 16 8.886 7.959 -10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.596 6.278 -13.394 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.709 7.074 -14.512 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.302 8.972 -12.004 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.234 8.592 -13.728 1.00 0.00 H new ATOM 260 N TRP A 17 9.736 8.101 -7.668 1.00 0.00 N ATOM 261 CA TRP A 17 11.188 8.191 -7.827 1.00 0.00 C ATOM 262 C TRP A 17 11.941 7.727 -6.583 1.00 0.00 C ATOM 263 O TRP A 17 12.955 7.036 -6.685 1.00 0.00 O ATOM 264 CB TRP A 17 11.611 9.621 -8.165 1.00 0.00 C ATOM 265 CG TRP A 17 13.045 9.712 -8.596 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.540 9.488 -9.850 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.173 10.041 -7.773 1.00 0.00 C ATOM 268 NE1 TRP A 17 14.905 9.649 -9.855 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.317 9.994 -8.594 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.327 10.373 -6.423 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.595 10.265 -8.108 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.597 10.642 -5.943 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.715 10.586 -6.785 1.00 0.00 C ATOM 0 H TRP A 17 9.233 8.955 -7.907 1.00 0.00 H new ATOM 0 HA TRP A 17 11.448 7.524 -8.649 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.972 10.007 -8.959 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.456 10.257 -7.294 1.00 0.00 H new ATOM 0 HD1 TRP A 17 12.945 9.223 -10.712 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.513 9.531 -10.666 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.470 10.419 -5.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.460 10.223 -8.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.728 10.899 -4.902 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.693 10.801 -6.380 1.00 0.00 H new ATOM 284 N VAL A 18 11.461 8.122 -5.412 1.00 0.00 N ATOM 285 CA VAL A 18 12.124 7.749 -4.169 1.00 0.00 C ATOM 286 C VAL A 18 11.961 6.270 -3.871 1.00 0.00 C ATOM 287 O VAL A 18 12.938 5.540 -3.719 1.00 0.00 O ATOM 288 CB VAL A 18 11.616 8.550 -2.947 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.735 8.724 -1.934 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.054 9.908 -3.347 1.00 0.00 C ATOM 0 H VAL A 18 10.625 8.694 -5.296 1.00 0.00 H new ATOM 0 HA VAL A 18 13.176 7.986 -4.327 1.00 0.00 H new ATOM 0 HB VAL A 18 10.804 7.980 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.366 9.289 -1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.080 7.745 -1.601 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.563 9.263 -2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.709 10.435 -2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.832 10.493 -3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.218 9.768 -4.033 1.00 0.00 H new ATOM 300 N LEU A 19 10.719 5.845 -3.762 1.00 0.00 N ATOM 301 CA LEU A 19 10.400 4.459 -3.445 1.00 0.00 C ATOM 302 C LEU A 19 10.804 3.492 -4.558 1.00 0.00 C ATOM 303 O LEU A 19 11.065 2.318 -4.296 1.00 0.00 O ATOM 304 CB LEU A 19 8.908 4.330 -3.135 1.00 0.00 C ATOM 305 CG LEU A 19 8.544 4.496 -1.659 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.288 3.474 -0.808 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.851 5.912 -1.196 1.00 0.00 C ATOM 0 H LEU A 19 9.903 6.443 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 19 10.982 4.182 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.365 5.076 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.564 3.352 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 19 7.475 4.321 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.017 3.607 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.017 2.468 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.362 3.616 -0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.587 6.016 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.914 6.115 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.272 6.622 -1.787 1.00 0.00 H new ATOM 319 N GLU A 20 10.847 3.977 -5.792 1.00 0.00 N ATOM 320 CA GLU A 20 11.209 3.124 -6.926 1.00 0.00 C ATOM 321 C GLU A 20 12.664 2.666 -6.865 1.00 0.00 C ATOM 322 O GLU A 20 12.944 1.467 -6.835 1.00 0.00 O ATOM 323 CB GLU A 20 10.919 3.818 -8.267 1.00 0.00 C ATOM 324 CG GLU A 20 11.892 4.915 -8.670 1.00 0.00 C ATOM 325 CD GLU A 20 11.587 5.485 -10.043 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.406 5.787 -10.313 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.532 5.628 -10.848 1.00 0.00 O ATOM 0 H GLU A 20 10.639 4.945 -6.036 1.00 0.00 H new ATOM 0 HA GLU A 20 10.582 2.235 -6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.909 3.061 -9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.917 4.245 -8.224 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.858 5.716 -7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.907 4.517 -8.662 1.00 0.00 H new ATOM 334 N ARG A 21 13.585 3.613 -6.872 1.00 0.00 N ATOM 335 CA ARG A 21 15.005 3.287 -6.846 1.00 0.00 C ATOM 336 C ARG A 21 15.455 2.768 -5.483 1.00 0.00 C ATOM 337 O ARG A 21 16.031 1.685 -5.387 1.00 0.00 O ATOM 338 CB ARG A 21 15.846 4.499 -7.254 1.00 0.00 C ATOM 339 CG ARG A 21 15.616 4.950 -8.692 1.00 0.00 C ATOM 340 CD ARG A 21 16.817 4.661 -9.580 1.00 0.00 C ATOM 341 NE ARG A 21 18.050 5.235 -9.049 1.00 0.00 N ATOM 342 CZ ARG A 21 19.150 5.431 -9.775 1.00 0.00 C ATOM 343 NH1 ARG A 21 19.172 5.105 -11.063 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.230 5.956 -9.212 1.00 0.00 N ATOM 0 H ARG A 21 13.379 4.612 -6.895 1.00 0.00 H new ATOM 0 HA ARG A 21 15.160 2.485 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.622 5.328 -6.583 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.901 4.259 -7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.738 4.445 -9.094 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.403 6.019 -8.707 1.00 0.00 H new ATOM 0 HD2 ARG A 21 16.937 3.583 -9.686 1.00 0.00 H new ATOM 0 HD3 ARG A 21 16.633 5.060 -10.577 1.00 0.00 H new ATOM 0 HE ARG A 21 18.071 5.502 -8.065 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.344 4.702 -11.501 1.00 0.00 H new ATOM 0 HH12 ARG A 21 20.017 5.258 -11.613 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.218 6.209 -8.224 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.072 6.106 -9.767 1.00 0.00 H new ATOM 358 N ALA A 22 15.208 3.542 -4.432 1.00 0.00 N ATOM 359 CA ALA A 22 15.611 3.142 -3.087 1.00 0.00 C ATOM 360 C ALA A 22 15.155 1.728 -2.757 1.00 0.00 C ATOM 361 O ALA A 22 15.968 0.863 -2.430 1.00 0.00 O ATOM 362 CB ALA A 22 15.088 4.128 -2.056 1.00 0.00 C ATOM 0 H ALA A 22 14.734 4.444 -4.483 1.00 0.00 H new ATOM 0 HA ALA A 22 16.701 3.149 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.399 3.812 -1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.490 5.120 -2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.999 4.160 -2.103 1.00 0.00 H new ATOM 368 N LEU A 23 13.856 1.502 -2.849 1.00 0.00 N ATOM 369 CA LEU A 23 13.296 0.185 -2.562 1.00 0.00 C ATOM 370 C LEU A 23 13.873 -0.857 -3.512 1.00 0.00 C ATOM 371 O LEU A 23 13.942 -2.044 -3.185 1.00 0.00 O ATOM 372 CB LEU A 23 11.762 0.205 -2.644 1.00 0.00 C ATOM 373 CG LEU A 23 11.050 -0.947 -1.915 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.767 -1.304 -0.619 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.595 -0.596 -1.634 1.00 0.00 C ATOM 0 H LEU A 23 13.169 2.206 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 23 13.572 -0.085 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.405 1.149 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.470 0.184 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 23 11.076 -1.817 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.241 -2.121 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.789 -1.612 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.785 -0.435 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.113 -1.427 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.550 0.295 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.079 -0.405 -2.575 1.00 0.00 H new ATOM 387 N ALA A 24 14.311 -0.406 -4.683 1.00 0.00 N ATOM 388 CA ALA A 24 14.909 -1.300 -5.658 1.00 0.00 C ATOM 389 C ALA A 24 16.250 -1.791 -5.141 1.00 0.00 C ATOM 390 O ALA A 24 16.617 -2.951 -5.330 1.00 0.00 O ATOM 391 CB ALA A 24 15.068 -0.600 -7.001 1.00 0.00 C ATOM 0 H ALA A 24 14.262 0.570 -4.976 1.00 0.00 H new ATOM 0 HA ALA A 24 14.253 -2.158 -5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.518 -1.287 -7.718 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.090 -0.285 -7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.710 0.273 -6.883 1.00 0.00 H new ATOM 397 N GLY A 25 16.969 -0.901 -4.464 1.00 0.00 N ATOM 398 CA GLY A 25 18.251 -1.263 -3.901 1.00 0.00 C ATOM 399 C GLY A 25 18.104 -2.298 -2.805 1.00 0.00 C ATOM 400 O GLY A 25 19.040 -3.043 -2.513 1.00 0.00 O ATOM 0 H GLY A 25 16.684 0.064 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.898 -1.653 -4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.738 -0.374 -3.500 1.00 0.00 H new ATOM 404 N ALA A 26 16.917 -2.349 -2.200 1.00 0.00 N ATOM 405 CA ALA A 26 16.646 -3.301 -1.137 1.00 0.00 C ATOM 406 C ALA A 26 16.411 -4.698 -1.702 1.00 0.00 C ATOM 407 O ALA A 26 16.478 -5.688 -0.973 1.00 0.00 O ATOM 408 CB ALA A 26 15.445 -2.851 -0.319 1.00 0.00 C ATOM 0 H ALA A 26 16.132 -1.740 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 26 17.519 -3.342 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.253 -3.574 0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.650 -1.875 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.570 -2.781 -0.965 1.00 0.00 H new ATOM 414 N GLY A 27 16.165 -4.780 -3.008 1.00 0.00 N ATOM 415 CA GLY A 27 15.961 -6.070 -3.636 1.00 0.00 C ATOM 416 C GLY A 27 14.519 -6.363 -4.006 1.00 0.00 C ATOM 417 O GLY A 27 14.138 -7.528 -4.113 1.00 0.00 O ATOM 0 H GLY A 27 16.104 -3.980 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.573 -6.124 -4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.317 -6.849 -2.962 1.00 0.00 H new ATOM 421 N LEU A 28 13.710 -5.328 -4.215 1.00 0.00 N ATOM 422 CA LEU A 28 12.319 -5.540 -4.585 1.00 0.00 C ATOM 423 C LEU A 28 11.920 -4.672 -5.773 1.00 0.00 C ATOM 424 O LEU A 28 12.661 -3.779 -6.186 1.00 0.00 O ATOM 425 CB LEU A 28 11.382 -5.271 -3.404 1.00 0.00 C ATOM 426 CG LEU A 28 12.030 -5.329 -2.022 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.535 -3.970 -1.628 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.044 -5.867 -0.995 1.00 0.00 C ATOM 0 H LEU A 28 13.990 -4.350 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 28 12.222 -6.586 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.935 -4.286 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.569 -5.997 -3.435 1.00 0.00 H new ATOM 0 HG LEU A 28 12.880 -6.010 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.995 -4.025 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.274 -3.632 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.703 -3.266 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.521 -5.902 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.172 -5.214 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.731 -6.871 -1.282 1.00 0.00 H new ATOM 440 N THR A 29 10.736 -4.942 -6.314 1.00 0.00 N ATOM 441 CA THR A 29 10.220 -4.189 -7.451 1.00 0.00 C ATOM 442 C THR A 29 9.192 -3.168 -6.983 1.00 0.00 C ATOM 443 O THR A 29 8.069 -3.526 -6.629 1.00 0.00 O ATOM 444 CB THR A 29 9.592 -5.131 -8.483 1.00 0.00 C ATOM 445 OG1 THR A 29 10.568 -5.997 -9.034 1.00 0.00 O ATOM 446 CG2 THR A 29 8.925 -4.402 -9.630 1.00 0.00 C ATOM 0 H THR A 29 10.114 -5.679 -5.982 1.00 0.00 H new ATOM 0 HA THR A 29 11.052 -3.665 -7.921 1.00 0.00 H new ATOM 0 HB THR A 29 8.832 -5.691 -7.937 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.146 -6.591 -9.689 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.501 -5.127 -10.324 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.131 -3.763 -9.243 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.662 -3.790 -10.150 1.00 0.00 H new ATOM 454 N CYS A 30 9.586 -1.900 -6.973 1.00 0.00 N ATOM 455 CA CYS A 30 8.696 -0.834 -6.533 1.00 0.00 C ATOM 456 C CYS A 30 8.179 -0.007 -7.700 1.00 0.00 C ATOM 457 O CYS A 30 8.926 0.743 -8.330 1.00 0.00 O ATOM 458 CB CYS A 30 9.404 0.066 -5.525 1.00 0.00 C ATOM 459 SG CYS A 30 8.290 1.184 -4.649 1.00 0.00 S ATOM 0 H CYS A 30 10.512 -1.586 -7.263 1.00 0.00 H new ATOM 0 HA CYS A 30 7.836 -1.304 -6.055 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.926 -0.556 -4.798 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.161 0.654 -6.044 1.00 0.00 H new ATOM 0 HG CYS A 30 7.404 0.491 -3.998 1.00 0.00 H new ATOM 465 N THR A 31 6.883 -0.135 -7.959 1.00 0.00 N ATOM 466 CA THR A 31 6.232 0.611 -9.023 1.00 0.00 C ATOM 467 C THR A 31 5.115 1.445 -8.409 1.00 0.00 C ATOM 468 O THR A 31 4.614 1.107 -7.336 1.00 0.00 O ATOM 469 CB THR A 31 5.666 -0.335 -10.093 1.00 0.00 C ATOM 470 OG1 THR A 31 5.483 0.354 -11.316 1.00 0.00 O ATOM 471 CG2 THR A 31 4.326 -0.931 -9.728 1.00 0.00 C ATOM 0 H THR A 31 6.260 -0.754 -7.441 1.00 0.00 H new ATOM 0 HA THR A 31 6.960 1.259 -9.512 1.00 0.00 H new ATOM 0 HB THR A 31 6.399 -1.137 -10.177 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.124 -0.262 -11.988 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.989 -1.588 -10.530 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.422 -1.504 -8.806 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.599 -0.132 -9.584 1.00 0.00 H new ATOM 479 N THR A 32 4.730 2.531 -9.062 1.00 0.00 N ATOM 480 CA THR A 32 3.677 3.376 -8.519 1.00 0.00 C ATOM 481 C THR A 32 2.546 3.608 -9.510 1.00 0.00 C ATOM 482 O THR A 32 2.698 3.419 -10.717 1.00 0.00 O ATOM 483 CB THR A 32 4.253 4.702 -8.040 1.00 0.00 C ATOM 484 OG1 THR A 32 4.687 5.490 -9.135 1.00 0.00 O ATOM 485 CG2 THR A 32 5.425 4.516 -7.099 1.00 0.00 C ATOM 0 H THR A 32 5.121 2.844 -9.951 1.00 0.00 H new ATOM 0 HA THR A 32 3.248 2.846 -7.669 1.00 0.00 H new ATOM 0 HB THR A 32 3.447 5.204 -7.505 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.856 4.911 -9.908 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.799 5.491 -6.787 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.102 3.953 -6.223 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.218 3.970 -7.609 1.00 0.00 H new ATOM 493 N PHE A 33 1.400 3.999 -8.964 1.00 0.00 N ATOM 494 CA PHE A 33 0.200 4.250 -9.749 1.00 0.00 C ATOM 495 C PHE A 33 -0.501 5.530 -9.296 1.00 0.00 C ATOM 496 O PHE A 33 -0.106 6.155 -8.310 1.00 0.00 O ATOM 497 CB PHE A 33 -0.777 3.082 -9.655 1.00 0.00 C ATOM 498 CG PHE A 33 -0.164 1.719 -9.827 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.835 1.267 -8.976 1.00 0.00 C ATOM 500 CD2 PHE A 33 -0.604 0.882 -10.838 1.00 0.00 C ATOM 501 CE1 PHE A 33 1.382 0.008 -9.135 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.062 -0.376 -11.003 1.00 0.00 C ATOM 503 CZ PHE A 33 0.931 -0.816 -10.151 1.00 0.00 C ATOM 0 H PHE A 33 1.278 4.151 -7.963 1.00 0.00 H new ATOM 0 HA PHE A 33 0.517 4.366 -10.785 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.272 3.120 -8.685 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.550 3.214 -10.412 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.189 1.906 -8.181 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.382 1.218 -11.507 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.160 -0.332 -8.468 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.414 -1.016 -11.798 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.355 -1.801 -10.277 1.00 0.00 H new ATOM 513 N GLU A 34 -1.545 5.912 -10.028 1.00 0.00 N ATOM 514 CA GLU A 34 -2.314 7.115 -9.715 1.00 0.00 C ATOM 515 C GLU A 34 -2.988 6.995 -8.350 1.00 0.00 C ATOM 516 O GLU A 34 -3.154 7.982 -7.635 1.00 0.00 O ATOM 517 CB GLU A 34 -3.388 7.337 -10.794 1.00 0.00 C ATOM 518 CG GLU A 34 -4.646 6.472 -10.633 1.00 0.00 C ATOM 519 CD GLU A 34 -4.770 5.399 -11.693 1.00 0.00 C ATOM 520 OE1 GLU A 34 -4.218 5.586 -12.797 1.00 0.00 O ATOM 521 OE2 GLU A 34 -5.424 4.368 -11.414 1.00 0.00 O ATOM 0 H GLU A 34 -1.879 5.403 -10.846 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.628 7.962 -9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.682 8.387 -10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.949 7.137 -11.771 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.633 6.002 -9.649 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.527 7.113 -10.669 1.00 0.00 H new ATOM 528 N ASN A 35 -3.380 5.777 -8.006 1.00 0.00 N ATOM 529 CA ASN A 35 -4.048 5.511 -6.744 1.00 0.00 C ATOM 530 C ASN A 35 -4.294 4.020 -6.590 1.00 0.00 C ATOM 531 O ASN A 35 -4.087 3.250 -7.528 1.00 0.00 O ATOM 532 CB ASN A 35 -5.378 6.264 -6.681 1.00 0.00 C ATOM 533 CG ASN A 35 -5.651 6.841 -5.307 1.00 0.00 C ATOM 534 OD1 ASN A 35 -5.028 7.819 -4.896 1.00 0.00 O ATOM 535 ND2 ASN A 35 -6.591 6.237 -4.589 1.00 0.00 N ATOM 0 H ASN A 35 -3.245 4.952 -8.590 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.408 5.854 -5.931 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.371 7.069 -7.415 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.188 5.589 -6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.821 6.582 -3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.083 5.428 -4.970 1.00 0.00 H new ATOM 542 N GLY A 36 -4.745 3.611 -5.410 1.00 0.00 N ATOM 543 CA GLY A 36 -5.016 2.207 -5.182 1.00 0.00 C ATOM 544 C GLY A 36 -5.883 1.614 -6.274 1.00 0.00 C ATOM 545 O GLY A 36 -5.835 0.412 -6.531 1.00 0.00 O ATOM 0 H GLY A 36 -4.926 4.222 -4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.075 1.660 -5.128 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.511 2.085 -4.219 1.00 0.00 H new ATOM 549 N ASN A 37 -6.669 2.468 -6.930 1.00 0.00 N ATOM 550 CA ASN A 37 -7.544 2.033 -8.008 1.00 0.00 C ATOM 551 C ASN A 37 -6.737 1.375 -9.123 1.00 0.00 C ATOM 552 O ASN A 37 -7.036 0.252 -9.538 1.00 0.00 O ATOM 553 CB ASN A 37 -8.348 3.216 -8.546 1.00 0.00 C ATOM 554 CG ASN A 37 -9.848 2.976 -8.502 1.00 0.00 C ATOM 555 OD1 ASN A 37 -10.576 3.367 -9.415 1.00 0.00 O ATOM 556 ND2 ASN A 37 -10.320 2.339 -7.434 1.00 0.00 N ATOM 0 H ASN A 37 -6.714 3.467 -6.730 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.241 1.293 -7.614 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.110 4.106 -7.964 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.047 3.417 -9.574 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.320 2.158 -7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.682 2.032 -6.700 1.00 0.00 H new ATOM 563 N GLU A 38 -5.703 2.064 -9.607 1.00 0.00 N ATOM 564 CA GLU A 38 -4.878 1.499 -10.670 1.00 0.00 C ATOM 565 C GLU A 38 -4.401 0.098 -10.295 1.00 0.00 C ATOM 566 O GLU A 38 -4.564 -0.846 -11.071 1.00 0.00 O ATOM 567 CB GLU A 38 -3.663 2.380 -10.952 1.00 0.00 C ATOM 568 CG GLU A 38 -3.394 2.584 -12.438 1.00 0.00 C ATOM 569 CD GLU A 38 -2.097 3.325 -12.711 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.011 4.521 -12.363 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.167 2.708 -13.275 1.00 0.00 O ATOM 0 H GLU A 38 -5.423 2.992 -9.288 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.495 1.446 -11.567 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.811 3.352 -10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.784 1.932 -10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.362 1.613 -12.932 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.222 3.139 -12.879 1.00 0.00 H new ATOM 578 N VAL A 39 -3.811 -0.042 -9.104 1.00 0.00 N ATOM 579 CA VAL A 39 -3.319 -1.342 -8.654 1.00 0.00 C ATOM 580 C VAL A 39 -4.394 -2.416 -8.795 1.00 0.00 C ATOM 581 O VAL A 39 -4.090 -3.562 -9.116 1.00 0.00 O ATOM 582 CB VAL A 39 -2.827 -1.301 -7.194 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.270 -2.654 -6.773 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.778 -0.217 -7.018 1.00 0.00 C ATOM 0 H VAL A 39 -3.665 0.721 -8.443 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.473 -1.591 -9.295 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.678 -1.068 -6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.929 -2.601 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.049 -3.411 -6.860 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.433 -2.920 -7.418 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.441 -0.201 -5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.930 -0.421 -7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.209 0.751 -7.274 1.00 0.00 H new ATOM 594 N LEU A 40 -5.653 -2.042 -8.574 1.00 0.00 N ATOM 595 CA LEU A 40 -6.749 -3.001 -8.709 1.00 0.00 C ATOM 596 C LEU A 40 -6.700 -3.630 -10.092 1.00 0.00 C ATOM 597 O LEU A 40 -6.860 -4.841 -10.248 1.00 0.00 O ATOM 598 CB LEU A 40 -8.110 -2.333 -8.504 1.00 0.00 C ATOM 599 CG LEU A 40 -8.216 -1.413 -7.289 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.641 -0.909 -7.134 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.770 -2.133 -6.025 1.00 0.00 C ATOM 0 H LEU A 40 -5.937 -1.100 -8.306 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.628 -3.764 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.350 -1.756 -9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.867 -3.112 -8.415 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.556 -0.560 -7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.703 -0.255 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.930 -0.355 -8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.314 -1.756 -6.999 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.854 -1.458 -5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.402 -3.005 -5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.733 -2.452 -6.134 1.00 0.00 H new ATOM 613 N ALA A 41 -6.461 -2.788 -11.092 1.00 0.00 N ATOM 614 CA ALA A 41 -6.371 -3.246 -12.472 1.00 0.00 C ATOM 615 C ALA A 41 -5.120 -4.087 -12.684 1.00 0.00 C ATOM 616 O ALA A 41 -5.172 -5.171 -13.265 1.00 0.00 O ATOM 617 CB ALA A 41 -6.374 -2.059 -13.420 1.00 0.00 C ATOM 0 H ALA A 41 -6.326 -1.784 -10.971 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.240 -3.869 -12.683 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.306 -2.414 -14.448 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.297 -1.493 -13.292 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.521 -1.417 -13.201 1.00 0.00 H new ATOM 623 N ALA A 42 -4.000 -3.574 -12.206 1.00 0.00 N ATOM 624 CA ALA A 42 -2.723 -4.264 -12.329 1.00 0.00 C ATOM 625 C ALA A 42 -2.753 -5.599 -11.594 1.00 0.00 C ATOM 626 O ALA A 42 -2.147 -6.577 -12.031 1.00 0.00 O ATOM 627 CB ALA A 42 -1.590 -3.393 -11.793 1.00 0.00 C ATOM 0 H ALA A 42 -3.947 -2.676 -11.725 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.546 -4.458 -13.387 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.644 -3.925 -11.893 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.546 -2.464 -12.361 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.770 -3.168 -10.742 1.00 0.00 H new ATOM 633 N LEU A 43 -3.452 -5.624 -10.464 1.00 0.00 N ATOM 634 CA LEU A 43 -3.554 -6.827 -9.649 1.00 0.00 C ATOM 635 C LEU A 43 -4.339 -7.932 -10.347 1.00 0.00 C ATOM 636 O LEU A 43 -4.163 -9.112 -10.046 1.00 0.00 O ATOM 637 CB LEU A 43 -4.219 -6.505 -8.314 1.00 0.00 C ATOM 638 CG LEU A 43 -3.284 -5.963 -7.240 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.078 -5.254 -6.154 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.456 -7.091 -6.650 1.00 0.00 C ATOM 0 H LEU A 43 -3.958 -4.821 -10.091 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.538 -7.187 -9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.010 -5.776 -8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.696 -7.409 -7.936 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.608 -5.239 -7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.395 -4.873 -5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.633 -4.425 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.775 -5.956 -5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.791 -6.692 -5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.118 -7.834 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.863 -7.558 -7.437 1.00 0.00 H new ATOM 652 N ALA A 44 -5.213 -7.547 -11.266 1.00 0.00 N ATOM 653 CA ALA A 44 -6.032 -8.514 -11.990 1.00 0.00 C ATOM 654 C ALA A 44 -5.176 -9.504 -12.778 1.00 0.00 C ATOM 655 O ALA A 44 -5.667 -10.543 -13.220 1.00 0.00 O ATOM 656 CB ALA A 44 -7.004 -7.797 -12.915 1.00 0.00 C ATOM 0 H ALA A 44 -5.374 -6.575 -11.529 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.598 -9.084 -11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.608 -8.531 -13.448 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.655 -7.150 -12.328 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.447 -7.196 -13.633 1.00 0.00 H new ATOM 662 N SER A 45 -3.897 -9.179 -12.959 1.00 0.00 N ATOM 663 CA SER A 45 -2.990 -10.042 -13.698 1.00 0.00 C ATOM 664 C SER A 45 -1.769 -10.436 -12.858 1.00 0.00 C ATOM 665 O SER A 45 -0.946 -11.240 -13.297 1.00 0.00 O ATOM 666 CB SER A 45 -2.544 -9.351 -14.989 1.00 0.00 C ATOM 667 OG SER A 45 -3.169 -9.930 -16.124 1.00 0.00 O ATOM 0 H SER A 45 -3.470 -8.324 -12.603 1.00 0.00 H new ATOM 0 HA SER A 45 -3.528 -10.957 -13.945 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.787 -8.290 -14.939 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.461 -9.426 -15.089 1.00 0.00 H new ATOM 0 HG SER A 45 -2.868 -9.469 -16.934 1.00 0.00 H new ATOM 673 N LYS A 46 -1.653 -9.875 -11.654 1.00 0.00 N ATOM 674 CA LYS A 46 -0.530 -10.183 -10.776 1.00 0.00 C ATOM 675 C LYS A 46 -0.791 -9.673 -9.361 1.00 0.00 C ATOM 676 O LYS A 46 -1.703 -8.884 -9.133 1.00 0.00 O ATOM 677 CB LYS A 46 0.771 -9.598 -11.363 1.00 0.00 C ATOM 678 CG LYS A 46 1.713 -8.948 -10.375 1.00 0.00 C ATOM 679 CD LYS A 46 2.650 -9.939 -9.758 1.00 0.00 C ATOM 680 CE LYS A 46 3.935 -10.076 -10.559 1.00 0.00 C ATOM 681 NZ LYS A 46 4.935 -10.935 -9.865 1.00 0.00 N ATOM 0 H LYS A 46 -2.321 -9.208 -11.268 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.416 -11.265 -10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.307 -10.398 -11.873 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.505 -8.860 -12.120 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.288 -8.171 -10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.135 -8.459 -9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.887 -9.630 -8.740 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.159 -10.910 -9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.709 -10.500 -11.537 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.362 -9.088 -10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.858 -10.841 -10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.019 -10.637 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.626 -11.927 -9.904 1.00 0.00 H new ATOM 695 N THR A 47 0.012 -10.137 -8.414 1.00 0.00 N ATOM 696 CA THR A 47 -0.132 -9.734 -7.024 1.00 0.00 C ATOM 697 C THR A 47 1.227 -9.487 -6.370 1.00 0.00 C ATOM 698 O THR A 47 2.058 -10.391 -6.302 1.00 0.00 O ATOM 699 CB THR A 47 -0.895 -10.801 -6.238 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.179 -11.009 -6.798 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.082 -10.455 -4.773 1.00 0.00 C ATOM 0 H THR A 47 0.772 -10.795 -8.585 1.00 0.00 H new ATOM 0 HA THR A 47 -0.694 -8.800 -7.008 1.00 0.00 H new ATOM 0 HB THR A 47 -0.282 -11.700 -6.303 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.653 -11.696 -6.284 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.631 -11.256 -4.277 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.107 -10.336 -4.300 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.643 -9.524 -4.688 1.00 0.00 H new ATOM 709 N PRO A 48 1.474 -8.264 -5.863 1.00 0.00 N ATOM 710 CA PRO A 48 2.735 -7.938 -5.204 1.00 0.00 C ATOM 711 C PRO A 48 2.758 -8.428 -3.760 1.00 0.00 C ATOM 712 O PRO A 48 1.712 -8.716 -3.180 1.00 0.00 O ATOM 713 CB PRO A 48 2.756 -6.414 -5.253 1.00 0.00 C ATOM 714 CG PRO A 48 1.322 -6.028 -5.162 1.00 0.00 C ATOM 715 CD PRO A 48 0.551 -7.108 -5.876 1.00 0.00 C ATOM 0 HA PRO A 48 3.596 -8.407 -5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.334 -5.997 -4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.209 -6.051 -6.176 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.006 -5.946 -4.122 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.150 -5.056 -5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.384 -7.337 -5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.295 -6.811 -6.893 1.00 0.00 H new ATOM 723 N ASP A 49 3.949 -8.523 -3.180 1.00 0.00 N ATOM 724 CA ASP A 49 4.083 -8.981 -1.804 1.00 0.00 C ATOM 725 C ASP A 49 3.631 -7.900 -0.825 1.00 0.00 C ATOM 726 O ASP A 49 3.171 -8.199 0.276 1.00 0.00 O ATOM 727 CB ASP A 49 5.528 -9.393 -1.513 1.00 0.00 C ATOM 728 CG ASP A 49 6.014 -10.484 -2.446 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.496 -11.617 -2.355 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.914 -10.207 -3.267 1.00 0.00 O ATOM 0 H ASP A 49 4.830 -8.290 -3.638 1.00 0.00 H new ATOM 0 HA ASP A 49 3.440 -9.852 -1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.177 -8.523 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.604 -9.739 -0.482 1.00 0.00 H new ATOM 735 N VAL A 50 3.754 -6.642 -1.239 1.00 0.00 N ATOM 736 CA VAL A 50 3.344 -5.520 -0.407 1.00 0.00 C ATOM 737 C VAL A 50 2.779 -4.407 -1.283 1.00 0.00 C ATOM 738 O VAL A 50 3.098 -4.319 -2.468 1.00 0.00 O ATOM 739 CB VAL A 50 4.516 -4.983 0.441 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.727 -4.697 -0.431 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.099 -3.740 1.212 1.00 0.00 C ATOM 0 H VAL A 50 4.135 -6.376 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 50 2.573 -5.873 0.278 1.00 0.00 H new ATOM 0 HB VAL A 50 4.793 -5.752 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.540 -4.319 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.044 -5.615 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.467 -3.951 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.941 -3.379 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.788 -2.965 0.512 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.269 -3.984 1.875 1.00 0.00 H new ATOM 751 N LEU A 51 1.920 -3.573 -0.706 1.00 0.00 N ATOM 752 CA LEU A 51 1.299 -2.496 -1.465 1.00 0.00 C ATOM 753 C LEU A 51 0.919 -1.327 -0.561 1.00 0.00 C ATOM 754 O LEU A 51 0.387 -1.512 0.528 1.00 0.00 O ATOM 755 CB LEU A 51 0.056 -3.041 -2.179 1.00 0.00 C ATOM 756 CG LEU A 51 -0.723 -2.044 -3.040 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.123 -1.956 -4.431 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.184 -2.459 -3.129 1.00 0.00 C ATOM 0 H LEU A 51 1.641 -3.621 0.274 1.00 0.00 H new ATOM 0 HA LEU A 51 2.015 -2.124 -2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.363 -3.873 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.621 -3.445 -1.427 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.660 -1.062 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.691 -1.242 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.913 -1.626 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.160 -2.936 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.729 -1.743 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.254 -3.450 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.617 -2.482 -2.129 1.00 0.00 H new ATOM 770 N LEU A 52 1.198 -0.121 -1.034 1.00 0.00 N ATOM 771 CA LEU A 52 0.886 1.089 -0.290 1.00 0.00 C ATOM 772 C LEU A 52 -0.225 1.844 -1.011 1.00 0.00 C ATOM 773 O LEU A 52 -0.083 2.161 -2.188 1.00 0.00 O ATOM 774 CB LEU A 52 2.134 1.966 -0.177 1.00 0.00 C ATOM 775 CG LEU A 52 2.990 1.743 1.070 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.472 1.718 0.713 1.00 0.00 C ATOM 777 CD2 LEU A 52 2.714 2.832 2.088 1.00 0.00 C ATOM 0 H LEU A 52 1.643 0.045 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 52 0.553 0.828 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.755 1.797 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.825 3.011 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 52 2.728 0.777 1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.061 1.558 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.663 0.909 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.753 2.669 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.328 2.666 2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.955 3.803 1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.661 2.811 2.367 1.00 0.00 H new ATOM 789 N SER A 53 -1.342 2.101 -0.324 1.00 0.00 N ATOM 790 CA SER A 53 -2.477 2.783 -0.950 1.00 0.00 C ATOM 791 C SER A 53 -2.650 4.229 -0.484 1.00 0.00 C ATOM 792 O SER A 53 -2.541 4.534 0.703 1.00 0.00 O ATOM 793 CB SER A 53 -3.765 2.000 -0.698 1.00 0.00 C ATOM 794 OG SER A 53 -4.162 1.286 -1.855 1.00 0.00 O ATOM 0 H SER A 53 -1.484 1.850 0.655 1.00 0.00 H new ATOM 0 HA SER A 53 -2.262 2.821 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.616 1.305 0.129 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.558 2.685 -0.400 1.00 0.00 H new ATOM 0 HG SER A 53 -4.189 0.327 -1.654 1.00 0.00 H new ATOM 800 N ASP A 54 -2.947 5.116 -1.439 1.00 0.00 N ATOM 801 CA ASP A 54 -3.167 6.528 -1.135 1.00 0.00 C ATOM 802 C ASP A 54 -4.510 6.717 -0.435 1.00 0.00 C ATOM 803 O ASP A 54 -5.297 5.777 -0.321 1.00 0.00 O ATOM 804 CB ASP A 54 -3.119 7.378 -2.407 1.00 0.00 C ATOM 805 CG ASP A 54 -2.874 8.843 -2.103 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.305 9.132 -1.026 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.247 9.695 -2.936 1.00 0.00 O ATOM 0 H ASP A 54 -3.040 4.879 -2.427 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.368 6.857 -0.471 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.330 7.007 -3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.059 7.273 -2.949 1.00 0.00 H new ATOM 812 N ILE A 55 -4.755 7.927 0.056 1.00 0.00 N ATOM 813 CA ILE A 55 -5.984 8.228 0.772 1.00 0.00 C ATOM 814 C ILE A 55 -6.286 9.735 0.758 1.00 0.00 C ATOM 815 O ILE A 55 -5.792 10.480 1.605 1.00 0.00 O ATOM 816 CB ILE A 55 -5.848 7.714 2.219 1.00 0.00 C ATOM 817 CG1 ILE A 55 -6.950 8.258 3.127 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.479 8.069 2.774 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.522 7.223 4.071 1.00 0.00 C ATOM 0 H ILE A 55 -4.115 8.716 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.818 7.730 0.277 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.956 6.630 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.552 9.089 3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.754 8.658 2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.394 7.701 3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.706 7.609 2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.353 9.152 2.766 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.299 7.680 4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.950 6.403 3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.730 6.840 4.714 1.00 0.00 H new ATOM 831 N ARG A 56 -7.090 10.180 -0.216 1.00 0.00 N ATOM 832 CA ARG A 56 -7.433 11.603 -0.333 1.00 0.00 C ATOM 833 C ARG A 56 -8.937 11.830 -0.540 1.00 0.00 C ATOM 834 O ARG A 56 -9.339 12.660 -1.358 1.00 0.00 O ATOM 835 CB ARG A 56 -6.651 12.239 -1.484 1.00 0.00 C ATOM 836 CG ARG A 56 -6.428 13.735 -1.317 1.00 0.00 C ATOM 837 CD ARG A 56 -5.304 14.239 -2.211 1.00 0.00 C ATOM 838 NE ARG A 56 -5.814 14.992 -3.357 1.00 0.00 N ATOM 839 CZ ARG A 56 -5.356 16.186 -3.733 1.00 0.00 C ATOM 840 NH1 ARG A 56 -4.367 16.774 -3.070 1.00 0.00 N ATOM 841 NH2 ARG A 56 -5.889 16.794 -4.784 1.00 0.00 N ATOM 0 H ARG A 56 -7.511 9.583 -0.927 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.159 12.076 0.610 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.684 11.744 -1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.186 12.062 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.348 14.269 -1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.191 13.954 -0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.634 14.872 -1.630 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.715 13.393 -2.566 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.569 14.577 -3.903 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.949 16.312 -2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.026 17.688 -3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.647 16.348 -5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.542 17.708 -5.075 1.00 0.00 H new ATOM 855 N MET A 57 -9.757 11.118 0.224 1.00 0.00 N ATOM 856 CA MET A 57 -11.214 11.265 0.151 1.00 0.00 C ATOM 857 C MET A 57 -11.790 10.952 -1.234 1.00 0.00 C ATOM 858 O MET A 57 -12.632 11.693 -1.742 1.00 0.00 O ATOM 859 CB MET A 57 -11.621 12.680 0.572 1.00 0.00 C ATOM 860 CG MET A 57 -13.037 12.770 1.117 1.00 0.00 C ATOM 861 SD MET A 57 -13.382 14.360 1.897 1.00 0.00 S ATOM 862 CE MET A 57 -14.287 15.194 0.595 1.00 0.00 C ATOM 0 H MET A 57 -9.440 10.429 0.906 1.00 0.00 H new ATOM 0 HA MET A 57 -11.632 10.530 0.839 1.00 0.00 H new ATOM 0 HB2 MET A 57 -10.925 13.038 1.331 1.00 0.00 H new ATOM 0 HB3 MET A 57 -11.528 13.346 -0.286 1.00 0.00 H new ATOM 0 HG2 MET A 57 -13.746 12.607 0.305 1.00 0.00 H new ATOM 0 HG3 MET A 57 -13.194 11.972 1.843 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.569 16.192 0.930 1.00 0.00 H new ATOM 0 HE2 MET A 57 -13.658 15.273 -0.292 1.00 0.00 H new ATOM 0 HE3 MET A 57 -15.185 14.625 0.354 1.00 0.00 H new ATOM 872 N PRO A 58 -11.366 9.841 -1.859 1.00 0.00 N ATOM 873 CA PRO A 58 -11.874 9.440 -3.175 1.00 0.00 C ATOM 874 C PRO A 58 -13.324 8.946 -3.110 1.00 0.00 C ATOM 875 O PRO A 58 -14.246 9.645 -3.532 1.00 0.00 O ATOM 876 CB PRO A 58 -10.934 8.306 -3.586 1.00 0.00 C ATOM 877 CG PRO A 58 -10.421 7.744 -2.303 1.00 0.00 C ATOM 878 CD PRO A 58 -10.380 8.887 -1.328 1.00 0.00 C ATOM 0 HA PRO A 58 -11.890 10.271 -3.880 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.460 7.548 -4.166 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.119 8.675 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.070 6.947 -1.941 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.430 7.311 -2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.641 8.562 -0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.385 9.330 -1.273 1.00 0.00 H new ATOM 886 N GLY A 59 -13.518 7.744 -2.569 1.00 0.00 N ATOM 887 CA GLY A 59 -14.850 7.181 -2.444 1.00 0.00 C ATOM 888 C GLY A 59 -15.285 7.076 -0.994 1.00 0.00 C ATOM 889 O GLY A 59 -16.475 7.134 -0.687 1.00 0.00 O ATOM 0 H GLY A 59 -12.770 7.148 -2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.559 7.801 -2.992 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.871 6.192 -2.902 1.00 0.00 H new ATOM 893 N MET A 60 -14.308 6.938 -0.103 1.00 0.00 N ATOM 894 CA MET A 60 -14.574 6.843 1.328 1.00 0.00 C ATOM 895 C MET A 60 -13.355 7.288 2.127 1.00 0.00 C ATOM 896 O MET A 60 -12.741 6.491 2.841 1.00 0.00 O ATOM 897 CB MET A 60 -14.970 5.419 1.731 1.00 0.00 C ATOM 898 CG MET A 60 -15.366 5.291 3.194 1.00 0.00 C ATOM 899 SD MET A 60 -15.093 3.631 3.841 1.00 0.00 S ATOM 900 CE MET A 60 -15.860 2.640 2.562 1.00 0.00 C ATOM 0 H MET A 60 -13.319 6.889 -0.349 1.00 0.00 H new ATOM 0 HA MET A 60 -15.411 7.505 1.552 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.802 5.091 1.108 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.136 4.747 1.528 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.795 6.006 3.786 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.418 5.553 3.306 1.00 0.00 H new ATOM 0 HE1 MET A 60 -15.820 1.588 2.844 1.00 0.00 H new ATOM 0 HE2 MET A 60 -16.900 2.944 2.440 1.00 0.00 H new ATOM 0 HE3 MET A 60 -15.328 2.784 1.622 1.00 0.00 H new ATOM 910 N ASP A 61 -13.009 8.568 1.985 1.00 0.00 N ATOM 911 CA ASP A 61 -11.866 9.158 2.689 1.00 0.00 C ATOM 912 C ASP A 61 -10.531 8.671 2.130 1.00 0.00 C ATOM 913 O ASP A 61 -9.507 9.332 2.292 1.00 0.00 O ATOM 914 CB ASP A 61 -11.939 8.838 4.182 1.00 0.00 C ATOM 915 CG ASP A 61 -11.322 9.928 5.038 1.00 0.00 C ATOM 916 OD1 ASP A 61 -10.076 10.005 5.090 1.00 0.00 O ATOM 917 OD2 ASP A 61 -12.083 10.701 5.657 1.00 0.00 O ATOM 0 H ASP A 61 -13.508 9.223 1.383 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.920 10.236 2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.981 8.699 4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.427 7.895 4.374 1.00 0.00 H new ATOM 922 N GLY A 62 -10.549 7.505 1.494 1.00 0.00 N ATOM 923 CA GLY A 62 -9.346 6.914 0.941 1.00 0.00 C ATOM 924 C GLY A 62 -9.312 5.442 1.257 1.00 0.00 C ATOM 925 O GLY A 62 -8.769 4.636 0.501 1.00 0.00 O ATOM 0 H GLY A 62 -11.393 6.950 1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.318 7.065 -0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.465 7.405 1.354 1.00 0.00 H new ATOM 929 N LEU A 63 -9.925 5.098 2.383 1.00 0.00 N ATOM 930 CA LEU A 63 -10.003 3.723 2.819 1.00 0.00 C ATOM 931 C LEU A 63 -10.938 2.932 1.910 1.00 0.00 C ATOM 932 O LEU A 63 -10.866 1.705 1.851 1.00 0.00 O ATOM 933 CB LEU A 63 -10.467 3.633 4.272 1.00 0.00 C ATOM 934 CG LEU A 63 -9.773 4.589 5.247 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.538 5.895 5.361 1.00 0.00 C ATOM 936 CD2 LEU A 63 -9.630 3.943 6.611 1.00 0.00 C ATOM 0 H LEU A 63 -10.376 5.764 3.010 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.005 3.290 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.540 3.824 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.314 2.612 4.621 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.779 4.808 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.026 6.557 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.592 6.371 4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.546 5.696 5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.135 4.636 7.292 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.617 3.694 7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.035 3.034 6.522 1.00 0.00 H new ATOM 948 N ALA A 64 -11.808 3.637 1.184 1.00 0.00 N ATOM 949 CA ALA A 64 -12.730 2.974 0.265 1.00 0.00 C ATOM 950 C ALA A 64 -11.953 2.076 -0.687 1.00 0.00 C ATOM 951 O ALA A 64 -12.444 1.035 -1.123 1.00 0.00 O ATOM 952 CB ALA A 64 -13.538 4.001 -0.513 1.00 0.00 C ATOM 0 H ALA A 64 -11.892 4.653 1.214 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.423 2.362 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.219 3.489 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.111 4.615 0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.863 4.636 -1.087 1.00 0.00 H new ATOM 958 N LEU A 65 -10.723 2.478 -0.985 1.00 0.00 N ATOM 959 CA LEU A 65 -9.860 1.702 -1.859 1.00 0.00 C ATOM 960 C LEU A 65 -9.643 0.320 -1.263 1.00 0.00 C ATOM 961 O LEU A 65 -9.790 -0.699 -1.937 1.00 0.00 O ATOM 962 CB LEU A 65 -8.514 2.404 -2.033 1.00 0.00 C ATOM 963 CG LEU A 65 -7.858 2.222 -3.399 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.391 0.784 -3.579 1.00 0.00 C ATOM 965 CD2 LEU A 65 -8.821 2.609 -4.509 1.00 0.00 C ATOM 0 H LEU A 65 -10.303 3.338 -0.632 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.337 1.608 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.652 3.470 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.830 2.038 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.989 2.877 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.926 0.672 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.667 0.537 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.246 0.112 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.336 2.473 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.709 1.979 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.110 3.653 -4.392 1.00 0.00 H new ATOM 977 N LEU A 66 -9.304 0.305 0.021 1.00 0.00 N ATOM 978 CA LEU A 66 -9.073 -0.938 0.745 1.00 0.00 C ATOM 979 C LEU A 66 -10.222 -1.909 0.495 1.00 0.00 C ATOM 980 O LEU A 66 -10.009 -3.102 0.287 1.00 0.00 O ATOM 981 CB LEU A 66 -8.939 -0.665 2.245 1.00 0.00 C ATOM 982 CG LEU A 66 -7.644 0.035 2.689 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.429 -0.811 2.348 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.521 1.415 2.062 1.00 0.00 C ATOM 0 H LEU A 66 -9.183 1.146 0.585 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.145 -1.382 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.785 -0.054 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.016 -1.614 2.775 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.689 0.157 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.525 -0.296 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.501 -1.772 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.389 -0.973 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.595 1.885 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.510 1.322 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.369 2.029 2.365 1.00 0.00 H new ATOM 996 N LYS A 67 -11.441 -1.377 0.505 1.00 0.00 N ATOM 997 CA LYS A 67 -12.630 -2.189 0.265 1.00 0.00 C ATOM 998 C LYS A 67 -12.547 -2.861 -1.105 1.00 0.00 C ATOM 999 O LYS A 67 -12.857 -4.040 -1.255 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.895 -1.333 0.340 1.00 0.00 C ATOM 1001 CG LYS A 67 -15.096 -2.075 0.913 1.00 0.00 C ATOM 1002 CD LYS A 67 -16.049 -1.136 1.634 1.00 0.00 C ATOM 1003 CE LYS A 67 -17.191 -1.899 2.292 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.717 -2.755 3.417 1.00 0.00 N ATOM 0 H LYS A 67 -11.631 -0.390 0.676 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.677 -2.955 1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.694 -0.454 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.142 -0.975 -0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.627 -2.584 0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.752 -2.844 1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.503 -0.572 2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.453 -0.412 0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.933 -1.192 2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.687 -2.521 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.533 -3.081 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.206 -3.577 3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.080 -2.204 4.028 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.124 -2.097 -2.106 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.996 -2.622 -3.462 1.00 0.00 C ATOM 1020 C GLN A 68 -10.960 -3.742 -3.510 1.00 0.00 C ATOM 1021 O GLN A 68 -11.119 -4.728 -4.230 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.567 -1.523 -4.439 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.312 -0.210 -4.286 1.00 0.00 C ATOM 1024 CD GLN A 68 -13.745 -0.295 -4.769 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.006 -0.379 -5.971 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -14.681 -0.275 -3.831 1.00 0.00 N ATOM 0 H GLN A 68 -11.865 -1.116 -2.006 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.973 -3.007 -3.753 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.501 -1.337 -4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.706 -1.887 -5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.303 0.089 -3.238 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.790 0.567 -4.844 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.417 -0.204 -2.848 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.666 -0.330 -4.092 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.884 -3.554 -2.756 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.782 -4.508 -2.708 1.00 0.00 C ATOM 1037 C ILE A 69 -9.227 -5.905 -2.287 1.00 0.00 C ATOM 1038 O ILE A 69 -8.748 -6.905 -2.821 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.673 -3.992 -1.764 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -7.097 -2.684 -2.314 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.574 -5.032 -1.585 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.312 -1.886 -1.296 1.00 0.00 C ATOM 0 H ILE A 69 -9.750 -2.737 -2.161 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.391 -4.594 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.110 -3.805 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.450 -2.911 -3.161 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.914 -2.069 -2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.808 -4.640 -0.916 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.999 -5.940 -1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.128 -5.260 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.936 -0.974 -1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.960 -1.627 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.474 -2.482 -0.935 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.124 -5.972 -1.322 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.613 -7.249 -0.825 1.00 0.00 C ATOM 1056 C LYS A 70 -11.652 -7.867 -1.757 1.00 0.00 C ATOM 1057 O LYS A 70 -11.875 -9.078 -1.734 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.194 -7.079 0.573 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.432 -6.202 0.625 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.708 -7.012 0.461 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.823 -6.485 1.351 1.00 0.00 C ATOM 1062 NZ LYS A 70 -16.062 -6.196 0.576 1.00 0.00 N ATOM 0 H LYS A 70 -10.531 -5.157 -0.864 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.765 -7.932 -0.785 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.440 -8.062 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.431 -6.651 1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.460 -5.669 1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.377 -5.449 -0.161 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.028 -6.982 -0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.511 -8.056 0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.043 -7.216 2.129 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.489 -5.577 1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.798 -5.839 1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.858 -5.479 -0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.396 -7.068 0.118 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.291 -7.033 -2.567 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.314 -7.504 -3.493 1.00 0.00 C ATOM 1078 C GLN A 71 -12.729 -8.409 -4.573 1.00 0.00 C ATOM 1079 O GLN A 71 -13.309 -9.439 -4.916 1.00 0.00 O ATOM 1080 CB GLN A 71 -14.039 -6.319 -4.135 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.424 -6.069 -3.558 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.802 -4.602 -3.565 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -16.793 -4.207 -4.179 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -15.010 -3.786 -2.881 1.00 0.00 N ATOM 0 H GLN A 71 -12.120 -6.028 -2.602 1.00 0.00 H new ATOM 0 HA GLN A 71 -14.028 -8.093 -2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.434 -5.421 -4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.127 -6.495 -5.207 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.160 -6.633 -4.132 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.461 -6.445 -2.536 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.199 -4.158 -2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.212 -2.787 -2.849 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.592 -8.008 -5.116 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.936 -8.771 -6.177 1.00 0.00 C ATOM 1095 C ARG A 72 -9.799 -9.636 -5.641 1.00 0.00 C ATOM 1096 O ARG A 72 -9.515 -10.708 -6.176 1.00 0.00 O ATOM 1097 CB ARG A 72 -10.400 -7.826 -7.256 1.00 0.00 C ATOM 1098 CG ARG A 72 -11.489 -7.092 -8.023 1.00 0.00 C ATOM 1099 CD ARG A 72 -11.467 -7.449 -9.501 1.00 0.00 C ATOM 1100 NE ARG A 72 -12.795 -7.354 -10.106 1.00 0.00 N ATOM 1101 CZ ARG A 72 -13.305 -8.261 -10.937 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -12.606 -9.337 -11.278 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -14.523 -8.089 -11.432 1.00 0.00 N ATOM 0 H ARG A 72 -11.099 -7.158 -4.843 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.686 -9.434 -6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.740 -7.094 -6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.795 -8.398 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.463 -7.341 -7.602 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.357 -6.016 -7.905 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.781 -6.783 -10.025 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.084 -8.462 -9.624 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.367 -6.541 -9.877 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.668 -9.476 -10.903 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.007 -10.025 -11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.066 -7.264 -11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -14.917 -8.781 -12.069 1.00 0.00 H new ATOM 1117 N HIS A 73 -9.146 -9.156 -4.596 1.00 0.00 N ATOM 1118 CA HIS A 73 -8.025 -9.878 -3.995 1.00 0.00 C ATOM 1119 C HIS A 73 -8.385 -10.367 -2.592 1.00 0.00 C ATOM 1120 O HIS A 73 -9.014 -9.644 -1.822 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.784 -8.974 -3.948 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.812 -7.888 -4.982 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -6.749 -8.136 -6.337 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -6.935 -6.547 -4.853 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -6.831 -6.993 -6.995 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -6.944 -6.015 -6.118 1.00 0.00 N ATOM 0 H HIS A 73 -9.369 -8.270 -4.143 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.803 -10.750 -4.610 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.706 -8.524 -2.958 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.892 -9.583 -4.092 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.654 -9.057 -6.764 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.012 -5.997 -3.927 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.809 -6.879 -8.069 1.00 0.00 H new ATOM 1135 N PRO A 74 -7.999 -11.608 -2.241 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.302 -12.179 -0.925 1.00 0.00 C ATOM 1137 C PRO A 74 -7.913 -11.248 0.221 1.00 0.00 C ATOM 1138 O PRO A 74 -8.777 -10.723 0.923 1.00 0.00 O ATOM 1139 CB PRO A 74 -7.467 -13.461 -0.890 1.00 0.00 C ATOM 1140 CG PRO A 74 -7.305 -13.843 -2.321 1.00 0.00 C ATOM 1141 CD PRO A 74 -7.250 -12.551 -3.093 1.00 0.00 C ATOM 0 HA PRO A 74 -9.370 -12.350 -0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.502 -13.292 -0.413 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.969 -14.246 -0.325 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -6.395 -14.425 -2.469 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.137 -14.462 -2.656 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.223 -12.221 -3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -7.707 -12.652 -4.078 1.00 0.00 H new ATOM 1149 N MET A 75 -6.611 -11.047 0.405 1.00 0.00 N ATOM 1150 CA MET A 75 -6.116 -10.180 1.468 1.00 0.00 C ATOM 1151 C MET A 75 -4.812 -9.502 1.050 1.00 0.00 C ATOM 1152 O MET A 75 -3.804 -9.583 1.751 1.00 0.00 O ATOM 1153 CB MET A 75 -5.898 -10.990 2.746 1.00 0.00 C ATOM 1154 CG MET A 75 -7.190 -11.393 3.438 1.00 0.00 C ATOM 1155 SD MET A 75 -7.556 -13.150 3.266 1.00 0.00 S ATOM 1156 CE MET A 75 -6.182 -13.869 4.164 1.00 0.00 C ATOM 0 H MET A 75 -5.882 -11.472 -0.167 1.00 0.00 H new ATOM 0 HA MET A 75 -6.861 -9.407 1.657 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.329 -11.888 2.505 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.292 -10.405 3.438 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.123 -11.142 4.497 1.00 0.00 H new ATOM 0 HG3 MET A 75 -8.015 -10.813 3.024 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.476 -14.840 4.563 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.334 -13.996 3.491 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.899 -13.210 4.985 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.844 -8.840 -0.100 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.670 -8.151 -0.628 1.00 0.00 C ATOM 1168 C LEU A 76 -3.105 -7.151 0.386 1.00 0.00 C ATOM 1169 O LEU A 76 -3.766 -6.173 0.722 1.00 0.00 O ATOM 1170 CB LEU A 76 -4.040 -7.418 -1.923 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.864 -6.919 -2.754 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -2.292 -5.663 -2.130 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.804 -7.997 -2.877 1.00 0.00 C ATOM 0 H LEU A 76 -5.674 -8.765 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.903 -8.898 -0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.640 -8.087 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.671 -6.566 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.213 -6.680 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.452 -5.310 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.061 -4.892 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.951 -5.882 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.972 -7.623 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.445 -8.269 -1.884 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.232 -8.875 -3.361 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.871 -7.378 0.889 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.236 -6.481 1.866 1.00 0.00 C ATOM 1187 C PRO A 77 -1.209 -5.033 1.387 1.00 0.00 C ATOM 1188 O PRO A 77 -0.659 -4.724 0.327 1.00 0.00 O ATOM 1189 CB PRO A 77 0.194 -7.027 2.001 1.00 0.00 C ATOM 1190 CG PRO A 77 0.367 -7.980 0.864 1.00 0.00 C ATOM 1191 CD PRO A 77 -1.001 -8.515 0.560 1.00 0.00 C ATOM 0 HA PRO A 77 -1.783 -6.464 2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.927 -6.222 1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.334 -7.529 2.958 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.791 -7.477 -0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.050 -8.786 1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.098 -8.810 -0.485 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.236 -9.393 1.162 1.00 0.00 H new ATOM 1199 N VAL A 78 -1.818 -4.152 2.175 1.00 0.00 N ATOM 1200 CA VAL A 78 -1.891 -2.735 1.839 1.00 0.00 C ATOM 1201 C VAL A 78 -1.407 -1.848 2.977 1.00 0.00 C ATOM 1202 O VAL A 78 -1.560 -2.180 4.153 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.331 -2.309 1.495 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.328 -1.051 0.644 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.077 -3.434 0.801 1.00 0.00 C ATOM 0 H VAL A 78 -2.270 -4.397 3.056 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.241 -2.606 0.973 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.853 -2.087 2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.354 -0.766 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.842 -0.243 1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.785 -1.240 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.091 -3.109 0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.560 -3.699 -0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.116 -4.304 1.457 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.847 -0.702 2.613 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.358 0.267 3.584 1.00 0.00 C ATOM 1217 C ILE A 79 -0.755 1.674 3.147 1.00 0.00 C ATOM 1218 O ILE A 79 -0.344 2.140 2.086 1.00 0.00 O ATOM 1219 CB ILE A 79 1.175 0.191 3.740 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.634 -1.266 3.873 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.627 1.001 4.945 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.546 -1.720 2.755 1.00 0.00 C ATOM 0 H ILE A 79 -0.719 -0.419 1.641 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.808 0.032 4.548 1.00 0.00 H new ATOM 0 HB ILE A 79 1.632 0.614 2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.151 -1.389 4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.757 -1.913 3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.711 0.937 5.041 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.335 2.043 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.159 0.605 5.846 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.830 -2.760 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.026 -1.630 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.441 -1.098 2.740 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.576 2.342 3.948 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.038 3.681 3.599 1.00 0.00 C ATOM 1236 C ILE A 80 -1.142 4.766 4.191 1.00 0.00 C ATOM 1237 O ILE A 80 -0.625 4.633 5.300 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.493 3.913 4.056 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.390 2.752 3.624 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.029 5.219 3.493 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.312 2.444 2.147 1.00 0.00 C ATOM 0 H ILE A 80 -1.933 1.984 4.834 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.991 3.748 2.512 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.498 3.971 5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.113 1.861 4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.423 2.985 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.056 5.365 3.827 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.413 6.047 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.003 5.184 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.974 1.610 1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.618 3.321 1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.288 2.179 1.884 1.00 0.00 H new ATOM 1253 N MET A 81 -0.952 5.834 3.416 1.00 0.00 N ATOM 1254 CA MET A 81 -0.098 6.953 3.824 1.00 0.00 C ATOM 1255 C MET A 81 -0.810 7.941 4.753 1.00 0.00 C ATOM 1256 O MET A 81 -0.167 8.827 5.313 1.00 0.00 O ATOM 1257 CB MET A 81 0.453 7.705 2.604 1.00 0.00 C ATOM 1258 CG MET A 81 -0.396 7.598 1.348 1.00 0.00 C ATOM 1259 SD MET A 81 0.030 6.154 0.353 1.00 0.00 S ATOM 1260 CE MET A 81 1.747 6.492 -0.029 1.00 0.00 C ATOM 0 H MET A 81 -1.380 5.949 2.497 1.00 0.00 H new ATOM 0 HA MET A 81 0.726 6.509 4.382 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.561 8.758 2.863 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.451 7.327 2.383 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.448 7.546 1.627 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.269 8.500 0.749 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.023 5.978 -0.950 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.887 7.565 -0.156 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.378 6.138 0.787 1.00 0.00 H new ATOM 1270 N THR A 82 -2.125 7.808 4.926 1.00 0.00 N ATOM 1271 CA THR A 82 -2.855 8.725 5.806 1.00 0.00 C ATOM 1272 C THR A 82 -4.034 8.030 6.491 1.00 0.00 C ATOM 1273 O THR A 82 -4.600 7.077 5.959 1.00 0.00 O ATOM 1274 CB THR A 82 -3.353 9.939 5.014 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.387 10.347 4.055 1.00 0.00 O ATOM 1276 CG2 THR A 82 -3.641 11.135 5.897 1.00 0.00 C ATOM 0 H THR A 82 -2.698 7.091 4.480 1.00 0.00 H new ATOM 0 HA THR A 82 -2.164 9.058 6.581 1.00 0.00 H new ATOM 0 HB THR A 82 -4.276 9.616 4.532 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.725 11.122 3.559 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.990 11.965 5.283 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.409 10.873 6.625 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.731 11.429 6.420 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.404 8.524 7.673 1.00 0.00 N ATOM 1285 CA ALA A 83 -5.522 7.963 8.430 1.00 0.00 C ATOM 1286 C ALA A 83 -6.017 8.953 9.484 1.00 0.00 C ATOM 1287 O ALA A 83 -5.765 8.783 10.678 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.123 6.644 9.078 1.00 0.00 C ATOM 0 H ALA A 83 -3.944 9.313 8.127 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.340 7.771 7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.969 6.243 9.637 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.828 5.934 8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.286 6.810 9.756 1.00 0.00 H new ATOM 1294 N HIS A 84 -6.708 9.999 9.033 1.00 0.00 N ATOM 1295 CA HIS A 84 -7.221 11.023 9.944 1.00 0.00 C ATOM 1296 C HIS A 84 -8.684 10.785 10.325 1.00 0.00 C ATOM 1297 O HIS A 84 -9.150 11.297 11.343 1.00 0.00 O ATOM 1298 CB HIS A 84 -7.064 12.425 9.336 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.450 12.526 7.887 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -7.031 13.556 7.070 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -8.224 11.729 7.112 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -7.529 13.386 5.859 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -8.255 12.285 5.858 1.00 0.00 N ATOM 0 H HIS A 84 -6.925 10.160 8.049 1.00 0.00 H new ATOM 0 HA HIS A 84 -6.626 10.955 10.854 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.671 13.125 9.910 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -6.026 12.740 9.445 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -8.724 10.824 7.423 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.369 14.038 5.013 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -8.758 11.908 5.055 1.00 0.00 H new ATOM 1312 N SER A 85 -9.411 10.019 9.516 1.00 0.00 N ATOM 1313 CA SER A 85 -10.817 9.741 9.804 1.00 0.00 C ATOM 1314 C SER A 85 -11.302 8.496 9.067 1.00 0.00 C ATOM 1315 O SER A 85 -10.568 7.897 8.282 1.00 0.00 O ATOM 1316 CB SER A 85 -11.684 10.946 9.438 1.00 0.00 C ATOM 1317 OG SER A 85 -11.544 11.983 10.393 1.00 0.00 O ATOM 0 H SER A 85 -9.056 9.583 8.665 1.00 0.00 H new ATOM 0 HA SER A 85 -10.906 9.552 10.874 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.402 11.315 8.452 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.729 10.641 9.378 1.00 0.00 H new ATOM 0 HG SER A 85 -10.865 11.731 11.053 1.00 0.00 H new ATOM 1323 N ASP A 86 -12.549 8.109 9.334 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.140 6.931 8.707 1.00 0.00 C ATOM 1325 C ASP A 86 -12.257 5.709 8.933 1.00 0.00 C ATOM 1326 O ASP A 86 -12.232 4.783 8.123 1.00 0.00 O ATOM 1327 CB ASP A 86 -13.358 7.162 7.209 1.00 0.00 C ATOM 1328 CG ASP A 86 -14.789 6.897 6.784 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.654 7.758 7.045 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -15.043 5.828 6.190 1.00 0.00 O ATOM 0 H ASP A 86 -13.169 8.596 9.981 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.111 6.751 9.169 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.093 8.190 6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.688 6.514 6.643 1.00 0.00 H new ATOM 1335 N LEU A 87 -11.537 5.720 10.051 1.00 0.00 N ATOM 1336 CA LEU A 87 -10.645 4.626 10.418 1.00 0.00 C ATOM 1337 C LEU A 87 -11.353 3.274 10.339 1.00 0.00 C ATOM 1338 O LEU A 87 -10.709 2.230 10.244 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.090 4.855 11.828 1.00 0.00 C ATOM 1340 CG LEU A 87 -8.596 5.177 11.892 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -7.783 4.048 11.278 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.302 6.496 11.187 1.00 0.00 C ATOM 0 H LEU A 87 -11.555 6.485 10.726 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.821 4.609 9.705 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.642 5.673 12.291 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.280 3.964 12.426 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.309 5.278 12.939 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.722 4.293 11.331 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.970 3.125 11.826 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.073 3.916 10.236 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.234 6.708 11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.604 6.425 10.142 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.857 7.299 11.671 1.00 0.00 H new ATOM 1354 N ASP A 88 -12.682 3.298 10.394 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.477 2.073 10.342 1.00 0.00 C ATOM 1356 C ASP A 88 -13.027 1.156 9.206 1.00 0.00 C ATOM 1357 O ASP A 88 -12.749 -0.023 9.428 1.00 0.00 O ATOM 1358 CB ASP A 88 -14.959 2.415 10.175 1.00 0.00 C ATOM 1359 CG ASP A 88 -15.646 2.675 11.501 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -15.499 1.841 12.420 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.333 3.711 11.620 1.00 0.00 O ATOM 0 H ASP A 88 -13.232 4.153 10.475 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.327 1.542 11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.056 3.295 9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.463 1.595 9.663 1.00 0.00 H new ATOM 1366 N ALA A 89 -12.955 1.691 7.991 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.536 0.898 6.843 1.00 0.00 C ATOM 1368 C ALA A 89 -11.059 0.521 6.938 1.00 0.00 C ATOM 1369 O ALA A 89 -10.612 -0.424 6.289 1.00 0.00 O ATOM 1370 CB ALA A 89 -12.826 1.635 5.542 1.00 0.00 C ATOM 0 H ALA A 89 -13.180 2.663 7.778 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.114 -0.026 6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.505 1.024 4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.896 1.828 5.464 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.285 2.581 5.531 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.305 1.258 7.754 1.00 0.00 N ATOM 1377 CA ALA A 90 -8.881 0.983 7.930 1.00 0.00 C ATOM 1378 C ALA A 90 -8.665 -0.356 8.622 1.00 0.00 C ATOM 1379 O ALA A 90 -7.943 -1.217 8.119 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.205 2.088 8.734 1.00 0.00 C ATOM 0 H ALA A 90 -10.655 2.045 8.300 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.432 0.944 6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.146 1.858 8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.315 3.038 8.211 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.670 2.159 9.717 1.00 0.00 H new ATOM 1386 N VAL A 91 -9.290 -0.525 9.785 1.00 0.00 N ATOM 1387 CA VAL A 91 -9.152 -1.761 10.544 1.00 0.00 C ATOM 1388 C VAL A 91 -9.690 -2.946 9.760 1.00 0.00 C ATOM 1389 O VAL A 91 -9.045 -3.991 9.682 1.00 0.00 O ATOM 1390 CB VAL A 91 -9.842 -1.696 11.917 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -9.344 -2.832 12.796 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -9.594 -0.354 12.590 1.00 0.00 C ATOM 0 H VAL A 91 -9.893 0.175 10.218 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.084 -1.893 10.716 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.917 -1.802 11.771 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.835 -2.782 13.768 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.573 -3.786 12.322 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.266 -2.743 12.930 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.093 -0.335 13.559 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.523 -0.210 12.731 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.988 0.446 11.963 1.00 0.00 H new ATOM 1402 N SER A 92 -10.861 -2.777 9.155 1.00 0.00 N ATOM 1403 CA SER A 92 -11.448 -3.841 8.355 1.00 0.00 C ATOM 1404 C SER A 92 -10.514 -4.185 7.203 1.00 0.00 C ATOM 1405 O SER A 92 -10.500 -5.313 6.709 1.00 0.00 O ATOM 1406 CB SER A 92 -12.814 -3.424 7.814 1.00 0.00 C ATOM 1407 OG SER A 92 -12.685 -2.428 6.814 1.00 0.00 O ATOM 0 H SER A 92 -11.416 -1.922 9.203 1.00 0.00 H new ATOM 0 HA SER A 92 -11.586 -4.718 8.987 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.326 -4.293 7.402 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.432 -3.047 8.629 1.00 0.00 H new ATOM 0 HG SER A 92 -11.875 -1.902 6.979 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.720 -3.198 6.793 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.764 -3.378 5.715 1.00 0.00 C ATOM 1415 C ALA A 93 -7.783 -4.482 6.055 1.00 0.00 C ATOM 1416 O ALA A 93 -7.552 -5.394 5.265 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.018 -2.081 5.453 1.00 0.00 C ATOM 0 H ALA A 93 -9.724 -2.262 7.197 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.308 -3.661 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.304 -2.229 4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.728 -1.303 5.173 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.485 -1.779 6.355 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.212 -4.386 7.244 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.250 -5.376 7.717 1.00 0.00 C ATOM 1425 C TYR A 94 -6.899 -6.747 7.761 1.00 0.00 C ATOM 1426 O TYR A 94 -6.259 -7.770 7.519 1.00 0.00 O ATOM 1427 CB TYR A 94 -5.728 -5.005 9.110 1.00 0.00 C ATOM 1428 CG TYR A 94 -5.583 -3.516 9.333 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.062 -2.695 8.343 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -5.970 -2.931 10.533 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -4.931 -1.335 8.538 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -5.841 -1.572 10.737 1.00 0.00 C ATOM 1433 CZ TYR A 94 -5.322 -0.778 9.739 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.198 0.577 9.942 1.00 0.00 O ATOM 0 H TYR A 94 -7.397 -3.631 7.904 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.408 -5.395 7.025 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.406 -5.411 9.861 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.760 -5.482 9.263 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.753 -3.128 7.403 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.378 -3.550 11.318 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.525 -0.710 7.756 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.146 -1.133 11.676 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.400 1.052 9.109 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.184 -6.743 8.069 1.00 0.00 N ATOM 1445 CA GLN A 95 -8.967 -7.965 8.150 1.00 0.00 C ATOM 1446 C GLN A 95 -9.209 -8.537 6.755 1.00 0.00 C ATOM 1447 O GLN A 95 -9.171 -9.752 6.555 1.00 0.00 O ATOM 1448 CB GLN A 95 -10.298 -7.670 8.861 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.401 -8.696 8.625 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.735 -8.041 8.322 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.762 -8.397 8.900 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -12.724 -7.074 7.409 1.00 0.00 N ATOM 0 H GLN A 95 -8.714 -5.895 8.270 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.417 -8.710 8.724 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.112 -7.601 9.933 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.657 -6.693 8.536 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.120 -9.345 7.796 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.501 -9.330 9.506 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.849 -6.811 6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.590 -6.595 7.163 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.470 -7.654 5.799 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.734 -8.069 4.431 1.00 0.00 C ATOM 1463 C GLN A 96 -8.476 -8.068 3.569 1.00 0.00 C ATOM 1464 O GLN A 96 -8.513 -8.513 2.424 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.776 -7.160 3.792 1.00 0.00 C ATOM 1466 CG GLN A 96 -10.322 -5.714 3.656 1.00 0.00 C ATOM 1467 CD GLN A 96 -11.479 -4.732 3.642 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -12.575 -5.039 4.108 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -11.237 -3.540 3.103 1.00 0.00 N ATOM 0 H GLN A 96 -9.504 -6.646 5.948 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.108 -9.092 4.482 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -11.027 -7.547 2.805 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.688 -7.191 4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.654 -5.469 4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.747 -5.604 2.737 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.312 -3.328 2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -11.976 -2.838 3.065 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.372 -7.560 4.107 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.139 -7.513 3.347 1.00 0.00 C ATOM 1480 C GLY A 97 -5.464 -6.158 3.408 1.00 0.00 C ATOM 1481 O GLY A 97 -5.611 -5.341 2.498 1.00 0.00 O ATOM 0 H GLY A 97 -7.310 -7.182 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.455 -8.272 3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.349 -7.763 2.307 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.718 -5.926 4.481 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.000 -4.670 4.668 1.00 0.00 C ATOM 1487 C ALA A 98 -3.030 -4.777 5.841 1.00 0.00 C ATOM 1488 O ALA A 98 -3.355 -5.368 6.869 1.00 0.00 O ATOM 1489 CB ALA A 98 -4.968 -3.519 4.879 1.00 0.00 C ATOM 0 H ALA A 98 -4.594 -6.596 5.240 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.427 -4.469 3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.409 -2.594 5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.617 -3.425 4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.574 -3.711 5.764 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.834 -4.217 5.688 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.846 -4.280 6.753 1.00 0.00 C ATOM 1497 C PHE A 99 -1.189 -3.322 7.884 1.00 0.00 C ATOM 1498 O PHE A 99 -1.267 -3.725 9.044 1.00 0.00 O ATOM 1499 CB PHE A 99 0.554 -3.961 6.228 1.00 0.00 C ATOM 1500 CG PHE A 99 1.611 -4.065 7.291 1.00 0.00 C ATOM 1501 CD1 PHE A 99 1.771 -5.239 8.007 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.436 -2.988 7.583 1.00 0.00 C ATOM 1503 CE1 PHE A 99 2.733 -5.343 8.992 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.403 -3.087 8.568 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.552 -4.267 9.272 1.00 0.00 C ATOM 0 H PHE A 99 -1.531 -3.722 4.849 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.858 -5.300 7.138 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.796 -4.643 5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.561 -2.953 5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.135 -6.085 7.792 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.322 -2.064 7.036 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.845 -6.265 9.543 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.041 -2.243 8.786 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.307 -4.347 10.040 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.389 -2.053 7.543 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.716 -1.039 8.541 1.00 0.00 C ATOM 1517 C ASP A 100 -1.841 0.346 7.904 1.00 0.00 C ATOM 1518 O ASP A 100 -1.864 0.480 6.680 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.647 -1.017 9.639 1.00 0.00 C ATOM 1520 CG ASP A 100 0.690 -0.515 9.147 1.00 0.00 C ATOM 1521 OD1 ASP A 100 0.884 -0.439 7.916 1.00 0.00 O ATOM 1522 OD2 ASP A 100 1.545 -0.198 9.997 1.00 0.00 O ATOM 0 H ASP A 100 -1.331 -1.702 6.587 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.679 -1.297 8.981 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.988 -0.384 10.458 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.526 -2.023 10.042 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.908 1.371 8.748 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.018 2.752 8.285 1.00 0.00 C ATOM 1529 C TYR A 101 -0.867 3.580 8.850 1.00 0.00 C ATOM 1530 O TYR A 101 -0.327 3.260 9.908 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.362 3.363 8.704 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.467 3.181 7.685 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -4.989 1.925 7.414 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -4.990 4.268 6.999 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.000 1.755 6.487 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.002 4.110 6.071 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.504 2.852 5.820 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.509 2.689 4.893 1.00 0.00 O ATOM 0 H TYR A 101 -1.888 1.271 9.763 1.00 0.00 H new ATOM 0 HA TYR A 101 -1.965 2.757 7.196 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.675 2.915 9.647 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.223 4.428 8.888 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.599 1.064 7.937 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.599 5.256 7.194 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.393 0.769 6.286 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.397 4.967 5.546 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.972 1.841 5.058 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.488 4.635 8.139 1.00 0.00 N ATOM 1549 CA LEU A 102 0.607 5.495 8.578 1.00 0.00 C ATOM 1550 C LEU A 102 0.313 6.961 8.245 1.00 0.00 C ATOM 1551 O LEU A 102 -0.256 7.257 7.200 1.00 0.00 O ATOM 1552 CB LEU A 102 1.924 5.040 7.926 1.00 0.00 C ATOM 1553 CG LEU A 102 2.192 5.584 6.517 1.00 0.00 C ATOM 1554 CD1 LEU A 102 3.188 6.723 6.570 1.00 0.00 C ATOM 1555 CD2 LEU A 102 2.705 4.491 5.588 1.00 0.00 C ATOM 0 H LEU A 102 -0.920 4.916 7.259 1.00 0.00 H new ATOM 0 HA LEU A 102 0.706 5.412 9.660 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.750 5.336 8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.929 3.951 7.882 1.00 0.00 H new ATOM 0 HG LEU A 102 1.246 5.953 6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 102 3.367 7.097 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 102 2.790 7.526 7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.126 6.367 6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.885 4.910 4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.635 4.084 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.962 3.696 5.516 1.00 0.00 H new ATOM 1567 N PRO A 103 0.700 7.903 9.129 1.00 0.00 N ATOM 1568 CA PRO A 103 0.469 9.337 8.903 1.00 0.00 C ATOM 1569 C PRO A 103 0.977 9.787 7.534 1.00 0.00 C ATOM 1570 O PRO A 103 1.725 9.060 6.882 1.00 0.00 O ATOM 1571 CB PRO A 103 1.272 10.006 10.019 1.00 0.00 C ATOM 1572 CG PRO A 103 1.347 8.983 11.101 1.00 0.00 C ATOM 1573 CD PRO A 103 1.388 7.648 10.408 1.00 0.00 C ATOM 0 HA PRO A 103 -0.591 9.591 8.916 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.266 10.291 9.675 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.783 10.915 10.368 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.234 9.130 11.716 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.484 9.052 11.764 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.412 7.308 10.252 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.881 6.878 10.990 1.00 0.00 H new ATOM 1581 N LYS A 104 0.561 10.981 7.095 1.00 0.00 N ATOM 1582 CA LYS A 104 0.979 11.507 5.791 1.00 0.00 C ATOM 1583 C LYS A 104 2.457 11.230 5.521 1.00 0.00 C ATOM 1584 O LYS A 104 2.800 10.683 4.474 1.00 0.00 O ATOM 1585 CB LYS A 104 0.696 13.007 5.677 1.00 0.00 C ATOM 1586 CG LYS A 104 0.904 13.557 4.269 1.00 0.00 C ATOM 1587 CD LYS A 104 0.108 12.775 3.228 1.00 0.00 C ATOM 1588 CE LYS A 104 1.023 12.067 2.236 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.263 11.214 1.276 1.00 0.00 N ATOM 0 H LYS A 104 -0.060 11.597 7.620 1.00 0.00 H new ATOM 0 HA LYS A 104 0.390 10.986 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.331 13.200 5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.344 13.545 6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.606 14.605 4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.964 13.520 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.524 12.041 3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.555 13.454 2.691 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.599 12.809 1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.738 11.450 2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.890 10.476 0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.538 10.768 1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.093 11.802 0.496 1.00 0.00 H new ATOM 1603 N PRO A 105 3.363 11.574 6.461 1.00 0.00 N ATOM 1604 CA PRO A 105 4.793 11.318 6.286 1.00 0.00 C ATOM 1605 C PRO A 105 5.021 9.890 5.818 1.00 0.00 C ATOM 1606 O PRO A 105 4.122 9.065 5.908 1.00 0.00 O ATOM 1607 CB PRO A 105 5.395 11.537 7.683 1.00 0.00 C ATOM 1608 CG PRO A 105 4.234 11.742 8.605 1.00 0.00 C ATOM 1609 CD PRO A 105 3.086 12.213 7.754 1.00 0.00 C ATOM 0 HA PRO A 105 5.246 11.966 5.536 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.990 10.677 7.990 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.057 12.403 7.691 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.980 10.815 9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.474 12.478 9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.124 11.902 8.162 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.061 13.300 7.672 1.00 0.00 H new ATOM 1617 N PHE A 106 6.206 9.599 5.310 1.00 0.00 N ATOM 1618 CA PHE A 106 6.509 8.264 4.826 1.00 0.00 C ATOM 1619 C PHE A 106 7.889 8.215 4.179 1.00 0.00 C ATOM 1620 O PHE A 106 8.867 7.851 4.830 1.00 0.00 O ATOM 1621 CB PHE A 106 5.448 7.743 3.846 1.00 0.00 C ATOM 1622 CG PHE A 106 4.763 8.778 2.995 1.00 0.00 C ATOM 1623 CD1 PHE A 106 5.324 10.026 2.758 1.00 0.00 C ATOM 1624 CD2 PHE A 106 3.546 8.478 2.415 1.00 0.00 C ATOM 1625 CE1 PHE A 106 4.681 10.950 1.959 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.895 9.398 1.615 1.00 0.00 C ATOM 1627 CZ PHE A 106 3.465 10.636 1.386 1.00 0.00 C ATOM 0 H PHE A 106 6.972 10.267 5.222 1.00 0.00 H new ATOM 0 HA PHE A 106 6.503 7.609 5.697 1.00 0.00 H new ATOM 0 HB2 PHE A 106 5.920 7.015 3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.687 7.211 4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.275 10.277 3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.097 7.511 2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.129 11.917 1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.943 9.150 1.170 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.960 11.357 0.760 1.00 0.00 H new ATOM 1637 N ASP A 107 7.969 8.554 2.894 1.00 0.00 N ATOM 1638 CA ASP A 107 9.235 8.513 2.179 1.00 0.00 C ATOM 1639 C ASP A 107 9.918 7.179 2.444 1.00 0.00 C ATOM 1640 O ASP A 107 9.334 6.298 3.065 1.00 0.00 O ATOM 1641 CB ASP A 107 10.136 9.690 2.574 1.00 0.00 C ATOM 1642 CG ASP A 107 10.611 9.626 4.013 1.00 0.00 C ATOM 1643 OD1 ASP A 107 11.279 8.637 4.374 1.00 0.00 O ATOM 1644 OD2 ASP A 107 10.317 10.571 4.778 1.00 0.00 O ATOM 0 H ASP A 107 7.174 8.858 2.332 1.00 0.00 H new ATOM 0 HA ASP A 107 9.043 8.607 1.110 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.003 9.713 1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.593 10.622 2.419 1.00 0.00 H new ATOM 1649 N ILE A 108 11.132 7.014 1.970 1.00 0.00 N ATOM 1650 CA ILE A 108 11.826 5.754 2.171 1.00 0.00 C ATOM 1651 C ILE A 108 11.959 5.401 3.641 1.00 0.00 C ATOM 1652 O ILE A 108 11.648 4.285 4.052 1.00 0.00 O ATOM 1653 CB ILE A 108 13.211 5.758 1.485 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.098 5.267 0.045 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.226 4.906 2.237 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.871 5.771 -0.671 1.00 0.00 C ATOM 0 H ILE A 108 11.655 7.720 1.451 1.00 0.00 H new ATOM 0 HA ILE A 108 11.214 4.983 1.704 1.00 0.00 H new ATOM 0 HB ILE A 108 13.566 6.789 1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.984 5.580 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.088 4.177 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.184 4.939 1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.348 5.293 3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.873 3.876 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.858 5.381 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.978 5.436 -0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.888 6.860 -0.700 1.00 0.00 H new ATOM 1668 N ASP A 109 12.432 6.342 4.421 1.00 0.00 N ATOM 1669 CA ASP A 109 12.625 6.112 5.842 1.00 0.00 C ATOM 1670 C ASP A 109 11.373 5.540 6.509 1.00 0.00 C ATOM 1671 O ASP A 109 11.425 4.470 7.108 1.00 0.00 O ATOM 1672 CB ASP A 109 13.034 7.412 6.537 1.00 0.00 C ATOM 1673 CG ASP A 109 14.023 7.183 7.663 1.00 0.00 C ATOM 1674 OD1 ASP A 109 15.056 6.523 7.422 1.00 0.00 O ATOM 1675 OD2 ASP A 109 13.765 7.665 8.787 1.00 0.00 O ATOM 0 H ASP A 109 12.692 7.275 4.102 1.00 0.00 H new ATOM 0 HA ASP A 109 13.421 5.374 5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.473 8.089 5.804 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.145 7.904 6.933 1.00 0.00 H new ATOM 1680 N GLU A 110 10.264 6.270 6.428 1.00 0.00 N ATOM 1681 CA GLU A 110 9.021 5.846 7.058 1.00 0.00 C ATOM 1682 C GLU A 110 8.242 4.818 6.233 1.00 0.00 C ATOM 1683 O GLU A 110 7.512 4.004 6.800 1.00 0.00 O ATOM 1684 CB GLU A 110 8.127 7.059 7.353 1.00 0.00 C ATOM 1685 CG GLU A 110 8.809 8.189 8.105 1.00 0.00 C ATOM 1686 CD GLU A 110 8.728 8.020 9.610 1.00 0.00 C ATOM 1687 OE1 GLU A 110 8.751 6.862 10.080 1.00 0.00 O ATOM 1688 OE2 GLU A 110 8.642 9.044 10.320 1.00 0.00 O ATOM 0 H GLU A 110 10.203 7.159 5.931 1.00 0.00 H new ATOM 0 HA GLU A 110 9.305 5.356 7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.745 7.449 6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.266 6.725 7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.856 8.241 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.350 9.137 7.824 1.00 0.00 H new ATOM 1695 N ALA A 111 8.380 4.842 4.907 1.00 0.00 N ATOM 1696 CA ALA A 111 7.654 3.891 4.075 1.00 0.00 C ATOM 1697 C ALA A 111 8.399 2.564 3.987 1.00 0.00 C ATOM 1698 O ALA A 111 7.808 1.503 4.188 1.00 0.00 O ATOM 1699 CB ALA A 111 7.368 4.465 2.693 1.00 0.00 C ATOM 0 H ALA A 111 8.975 5.495 4.398 1.00 0.00 H new ATOM 0 HA ALA A 111 6.691 3.700 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.826 3.730 2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.765 5.368 2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.308 4.709 2.199 1.00 0.00 H new ATOM 1705 N VAL A 112 9.704 2.618 3.714 1.00 0.00 N ATOM 1706 CA VAL A 112 10.499 1.400 3.644 1.00 0.00 C ATOM 1707 C VAL A 112 10.489 0.703 4.993 1.00 0.00 C ATOM 1708 O VAL A 112 10.522 -0.523 5.085 1.00 0.00 O ATOM 1709 CB VAL A 112 11.953 1.676 3.233 1.00 0.00 C ATOM 1710 CG1 VAL A 112 12.731 0.372 3.133 1.00 0.00 C ATOM 1711 CG2 VAL A 112 11.993 2.437 1.921 1.00 0.00 C ATOM 0 H VAL A 112 10.222 3.479 3.541 1.00 0.00 H new ATOM 0 HA VAL A 112 10.049 0.765 2.881 1.00 0.00 H new ATOM 0 HB VAL A 112 12.425 2.293 3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.760 0.583 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.724 -0.131 4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.267 -0.272 2.386 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.029 2.626 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.509 1.846 1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.469 3.386 2.035 1.00 0.00 H new ATOM 1721 N ALA A 113 10.424 1.503 6.042 1.00 0.00 N ATOM 1722 CA ALA A 113 10.380 0.984 7.394 1.00 0.00 C ATOM 1723 C ALA A 113 9.161 0.093 7.567 1.00 0.00 C ATOM 1724 O ALA A 113 9.246 -1.029 8.067 1.00 0.00 O ATOM 1725 CB ALA A 113 10.303 2.138 8.374 1.00 0.00 C ATOM 0 H ALA A 113 10.400 2.521 5.981 1.00 0.00 H new ATOM 0 HA ALA A 113 11.281 0.400 7.583 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.270 1.749 9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.180 2.774 8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.403 2.722 8.179 1.00 0.00 H new ATOM 1731 N LEU A 114 8.024 0.637 7.164 1.00 0.00 N ATOM 1732 CA LEU A 114 6.744 -0.042 7.268 1.00 0.00 C ATOM 1733 C LEU A 114 6.565 -1.130 6.211 1.00 0.00 C ATOM 1734 O LEU A 114 5.744 -2.032 6.381 1.00 0.00 O ATOM 1735 CB LEU A 114 5.626 0.996 7.149 1.00 0.00 C ATOM 1736 CG LEU A 114 4.257 0.567 7.677 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.320 0.265 9.164 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.232 1.655 7.406 1.00 0.00 C ATOM 0 H LEU A 114 7.964 1.569 6.753 1.00 0.00 H new ATOM 0 HA LEU A 114 6.706 -0.541 8.236 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.934 1.896 7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.520 1.268 6.099 1.00 0.00 H new ATOM 0 HG LEU A 114 3.958 -0.343 7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.334 -0.038 9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.032 -0.541 9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.639 1.157 9.703 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.259 1.341 7.785 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.537 2.575 7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.163 1.831 6.332 1.00 0.00 H new ATOM 1750 N VAL A 115 7.319 -1.051 5.117 1.00 0.00 N ATOM 1751 CA VAL A 115 7.191 -2.046 4.055 1.00 0.00 C ATOM 1752 C VAL A 115 7.935 -3.339 4.394 1.00 0.00 C ATOM 1753 O VAL A 115 7.379 -4.431 4.268 1.00 0.00 O ATOM 1754 CB VAL A 115 7.663 -1.507 2.681 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.179 -1.502 2.573 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.056 -2.331 1.554 1.00 0.00 C ATOM 0 H VAL A 115 8.012 -0.323 4.944 1.00 0.00 H new ATOM 0 HA VAL A 115 6.127 -2.269 3.980 1.00 0.00 H new ATOM 0 HB VAL A 115 7.321 -0.476 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.473 -1.118 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.597 -0.867 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.556 -2.518 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.396 -1.941 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.368 -3.371 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.969 -2.272 1.605 1.00 0.00 H new ATOM 1766 N GLU A 116 9.183 -3.214 4.831 1.00 0.00 N ATOM 1767 CA GLU A 116 9.984 -4.378 5.190 1.00 0.00 C ATOM 1768 C GLU A 116 9.388 -5.076 6.408 1.00 0.00 C ATOM 1769 O GLU A 116 9.345 -6.305 6.475 1.00 0.00 O ATOM 1770 CB GLU A 116 11.431 -3.963 5.467 1.00 0.00 C ATOM 1771 CG GLU A 116 12.124 -3.349 4.261 1.00 0.00 C ATOM 1772 CD GLU A 116 13.603 -3.115 4.492 1.00 0.00 C ATOM 1773 OE1 GLU A 116 13.945 -2.280 5.355 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.420 -3.764 3.805 1.00 0.00 O ATOM 0 H GLU A 116 9.661 -2.320 4.945 1.00 0.00 H new ATOM 0 HA GLU A 116 9.978 -5.076 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.445 -3.247 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 116 11.995 -4.836 5.796 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.994 -4.005 3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 116 11.645 -2.401 4.015 1.00 0.00 H new ATOM 1781 N ARG A 117 8.921 -4.281 7.364 1.00 0.00 N ATOM 1782 CA ARG A 117 8.314 -4.817 8.575 1.00 0.00 C ATOM 1783 C ARG A 117 7.022 -5.556 8.250 1.00 0.00 C ATOM 1784 O ARG A 117 6.586 -6.428 9.001 1.00 0.00 O ATOM 1785 CB ARG A 117 8.037 -3.691 9.573 1.00 0.00 C ATOM 1786 CG ARG A 117 9.296 -3.096 10.180 1.00 0.00 C ATOM 1787 CD ARG A 117 8.968 -2.001 11.180 1.00 0.00 C ATOM 1788 NE ARG A 117 8.884 -2.518 12.544 1.00 0.00 N ATOM 1789 CZ ARG A 117 9.944 -2.828 13.284 1.00 0.00 C ATOM 1790 NH1 ARG A 117 11.170 -2.656 12.805 1.00 0.00 N ATOM 1791 NH2 ARG A 117 9.779 -3.310 14.509 1.00 0.00 N ATOM 0 H ARG A 117 8.952 -3.262 7.323 1.00 0.00 H new ATOM 0 HA ARG A 117 9.013 -5.523 9.023 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.477 -2.902 9.072 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.403 -4.073 10.373 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.869 -3.881 10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.926 -2.690 9.388 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.732 -1.225 11.132 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.021 -1.534 10.910 1.00 0.00 H new ATOM 0 HE ARG A 117 7.958 -2.649 12.952 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.303 -2.284 11.864 1.00 0.00 H new ATOM 0 HH12 ARG A 117 11.979 -2.896 13.377 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.839 -3.443 14.883 1.00 0.00 H new ATOM 0 HH22 ARG A 117 10.592 -3.548 15.077 1.00 0.00 H new ATOM 1805 N ALA A 118 6.414 -5.200 7.124 1.00 0.00 N ATOM 1806 CA ALA A 118 5.173 -5.821 6.692 1.00 0.00 C ATOM 1807 C ALA A 118 5.419 -7.220 6.141 1.00 0.00 C ATOM 1808 O ALA A 118 4.743 -8.175 6.522 1.00 0.00 O ATOM 1809 CB ALA A 118 4.482 -4.956 5.650 1.00 0.00 C ATOM 0 H ALA A 118 6.765 -4.480 6.492 1.00 0.00 H new ATOM 0 HA ALA A 118 4.522 -5.911 7.562 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.554 -5.435 5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.259 -3.979 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.136 -4.833 4.787 1.00 0.00 H new ATOM 1815 N ILE A 119 6.392 -7.333 5.244 1.00 0.00 N ATOM 1816 CA ILE A 119 6.726 -8.616 4.643 1.00 0.00 C ATOM 1817 C ILE A 119 7.333 -9.553 5.677 1.00 0.00 C ATOM 1818 O ILE A 119 7.181 -10.773 5.597 1.00 0.00 O ATOM 1819 CB ILE A 119 7.713 -8.446 3.475 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.235 -7.346 2.528 1.00 0.00 C ATOM 1821 CG2 ILE A 119 7.881 -9.756 2.722 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.362 -6.514 1.963 1.00 0.00 C ATOM 0 H ILE A 119 6.962 -6.552 4.918 1.00 0.00 H new ATOM 0 HA ILE A 119 5.799 -9.046 4.262 1.00 0.00 H new ATOM 0 HB ILE A 119 8.681 -8.156 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.680 -7.799 1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.542 -6.694 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.583 -9.616 1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.264 -10.519 3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.917 -10.074 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.954 -5.752 1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.903 -6.033 2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.043 -7.156 1.404 1.00 0.00 H new ATOM 1834 N SER A 120 8.020 -8.969 6.646 1.00 0.00 N ATOM 1835 CA SER A 120 8.655 -9.731 7.709 1.00 0.00 C ATOM 1836 C SER A 120 7.616 -10.267 8.689 1.00 0.00 C ATOM 1837 O SER A 120 7.716 -11.401 9.157 1.00 0.00 O ATOM 1838 CB SER A 120 9.672 -8.861 8.449 1.00 0.00 C ATOM 1839 OG SER A 120 10.886 -8.765 7.724 1.00 0.00 O ATOM 0 H SER A 120 8.153 -7.960 6.718 1.00 0.00 H new ATOM 0 HA SER A 120 9.172 -10.578 7.258 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.258 -7.865 8.604 1.00 0.00 H new ATOM 0 HB3 SER A 120 9.866 -9.283 9.435 1.00 0.00 H new ATOM 0 HG SER A 120 10.846 -7.995 7.119 1.00 0.00 H new ATOM 1845 N HIS A 121 6.618 -9.444 8.993 1.00 0.00 N ATOM 1846 CA HIS A 121 5.559 -9.837 9.916 1.00 0.00 C ATOM 1847 C HIS A 121 4.553 -10.754 9.234 1.00 0.00 C ATOM 1848 O HIS A 121 3.928 -11.597 9.877 1.00 0.00 O ATOM 1849 CB HIS A 121 4.847 -8.600 10.468 1.00 0.00 C ATOM 1850 CG HIS A 121 5.545 -7.985 11.640 1.00 0.00 C ATOM 1851 ND1 HIS A 121 6.727 -7.285 11.529 1.00 0.00 N ATOM 1852 CD2 HIS A 121 5.221 -7.967 12.954 1.00 0.00 C ATOM 1853 CE1 HIS A 121 7.102 -6.865 12.724 1.00 0.00 C ATOM 1854 NE2 HIS A 121 6.205 -7.265 13.606 1.00 0.00 N ATOM 0 H HIS A 121 6.520 -8.502 8.614 1.00 0.00 H new ATOM 0 HA HIS A 121 6.017 -10.382 10.741 1.00 0.00 H new ATOM 0 HB2 HIS A 121 4.760 -7.857 9.676 1.00 0.00 H new ATOM 0 HB3 HIS A 121 3.834 -8.874 10.761 1.00 0.00 H new ATOM 0 HD1 HIS A 121 7.233 -7.117 10.660 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.351 -8.420 13.406 1.00 0.00 H new ATOM 0 HE1 HIS A 121 7.991 -6.292 12.942 1.00 0.00 H new ATOM 1863 N TYR A 122 4.404 -10.581 7.929 1.00 0.00 N ATOM 1864 CA TYR A 122 3.477 -11.388 7.151 1.00 0.00 C ATOM 1865 C TYR A 122 3.990 -12.817 7.007 1.00 0.00 C ATOM 1866 O TYR A 122 3.274 -13.777 7.292 1.00 0.00 O ATOM 1867 CB TYR A 122 3.262 -10.769 5.768 1.00 0.00 C ATOM 1868 CG TYR A 122 2.131 -11.401 4.987 1.00 0.00 C ATOM 1869 CD1 TYR A 122 0.834 -11.412 5.486 1.00 0.00 C ATOM 1870 CD2 TYR A 122 2.362 -11.986 3.748 1.00 0.00 C ATOM 1871 CE1 TYR A 122 -0.201 -11.990 4.772 1.00 0.00 C ATOM 1872 CE2 TYR A 122 1.333 -12.564 3.029 1.00 0.00 C ATOM 1873 CZ TYR A 122 0.054 -12.563 3.544 1.00 0.00 C ATOM 1874 OH TYR A 122 -0.972 -13.138 2.830 1.00 0.00 O ATOM 0 H TYR A 122 4.916 -9.886 7.385 1.00 0.00 H new ATOM 0 HA TYR A 122 2.525 -11.413 7.681 1.00 0.00 H new ATOM 0 HB2 TYR A 122 3.061 -9.704 5.884 1.00 0.00 H new ATOM 0 HB3 TYR A 122 4.183 -10.859 5.193 1.00 0.00 H new ATOM 0 HD1 TYR A 122 0.630 -10.962 6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 122 3.362 -11.989 3.340 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.203 -11.992 5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.530 -13.015 2.067 1.00 0.00 H new ATOM 0 HH TYR A 122 -0.624 -13.495 1.986 1.00 0.00 H new ATOM 1884 N GLN A 123 5.235 -12.949 6.560 1.00 0.00 N ATOM 1885 CA GLN A 123 5.847 -14.254 6.375 1.00 0.00 C ATOM 1886 C GLN A 123 6.241 -14.867 7.714 1.00 0.00 C ATOM 1887 O GLN A 123 6.187 -14.205 8.751 1.00 0.00 O ATOM 1888 CB GLN A 123 7.077 -14.141 5.472 1.00 0.00 C ATOM 1889 CG GLN A 123 7.241 -15.309 4.512 1.00 0.00 C ATOM 1890 CD GLN A 123 8.690 -15.721 4.335 1.00 0.00 C ATOM 1891 OE1 GLN A 123 9.364 -15.278 3.406 1.00 0.00 O ATOM 1892 NE2 GLN A 123 9.178 -16.575 5.228 1.00 0.00 N ATOM 0 H GLN A 123 5.839 -12.163 6.319 1.00 0.00 H new ATOM 0 HA GLN A 123 5.114 -14.906 5.900 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.011 -13.217 4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 123 7.968 -14.066 6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.668 -16.160 4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 123 6.823 -15.039 3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.584 -16.918 5.983 1.00 0.00 H new ATOM 0 HE22 GLN A 123 10.146 -16.888 5.158 1.00 0.00 H new ATOM 1901 N GLU A 124 6.637 -16.134 7.685 1.00 0.00 N ATOM 1902 CA GLU A 124 7.040 -16.834 8.898 1.00 0.00 C ATOM 1903 C GLU A 124 8.430 -16.392 9.345 1.00 0.00 C ATOM 1904 O GLU A 124 9.337 -16.239 8.525 1.00 0.00 O ATOM 1905 CB GLU A 124 7.022 -18.347 8.669 1.00 0.00 C ATOM 1906 CG GLU A 124 6.977 -19.153 9.956 1.00 0.00 C ATOM 1907 CD GLU A 124 8.166 -20.083 10.104 1.00 0.00 C ATOM 1908 OE1 GLU A 124 9.276 -19.698 9.681 1.00 0.00 O ATOM 1909 OE2 GLU A 124 7.987 -21.195 10.642 1.00 0.00 O ATOM 0 H GLU A 124 6.688 -16.697 6.836 1.00 0.00 H new ATOM 0 HA GLU A 124 6.328 -16.584 9.685 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.157 -18.604 8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.908 -18.631 8.102 1.00 0.00 H new ATOM 0 HG2 GLU A 124 6.946 -18.472 10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.058 -19.738 9.982 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.457 10.600 -0.388 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -3.792 11.152 -0.728 1.00 0.00 F HETATM 1919 F2 BEF A 125 -1.407 11.490 -0.944 1.00 0.00 F HETATM 1920 F3 BEF A 125 -2.312 10.515 1.092 1.00 0.00 F