USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 801 hydrogens (14 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 NoAdj-H: A 98 ASNHD21 : A 98 ASN ND2 : A 135 NAG C1 :(H bumps) USER MOD Set 1.1: A 66 THR OG1 : rot -44:sc= 0.93 USER MOD Set 1.2: A 121 TYR OH : rot -18:sc= 1.83 USER MOD Single : A 35 MET CE :methyl -138:sc= -0.394 (180deg=-2) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -159:sc= -0.319 (180deg=-1.68!) USER MOD Single : A 60 ASN : amide:sc= -4.03! C(o=-4!,f=-5!) USER MOD Single : A 62 ASN : amide:sc= -1.76! C(o=-1.8!,f=-3.2!) USER MOD Single : A 63 TYR OH : rot 180:sc= -0.076 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -1.94 F(o=-5!,f=-1.9) USER MOD Single : A 78 MET CE :methyl -157:sc= -3.9! (180deg=-6.41!) USER MOD Single : A 80 ASN : amide:sc= 0.0535 K(o=0.054,f=-0.53) USER MOD Single : A 82 GLN : amide:sc= -1.85! X(o=-1.9!,f=-1.4) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= -2.25 (180deg=-2.3) USER MOD Single : A 92 MET CE :methyl -162:sc= -1.22 (180deg=-1.68!) USER MOD Single : A 93 SER OG : rot 92:sc= 1.08 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 97 ASN : amide:sc= -4.49! C(o=-4.5!,f=-10!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.018) USER MOD Single : A 108 SER OG : rot 180:sc= 0.382 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -80:sc= 0.0386 USER MOD Single : A 120 LYS NZ :NH3+ 173:sc= -0.156 (180deg=-0.361) USER MOD Single : A 125 GLN : amide:sc= -1.89! C(o=-1.9!,f=-6.6!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0.748 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -158:sc= -0.436 (180deg=-1.42) USER MOD Single : A 135 NAG O3 : rot 180:sc= 0 USER MOD Single : A 135 NAG O4 : rot 170:sc= 0 USER MOD Single : A 135 NAG O6 : rot -28:sc= 0.041 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -10.736 -17.287 3.174 1.00 0.00 N ATOM 2 CA GLY A 29 -10.386 -15.913 3.635 1.00 0.00 C ATOM 3 C GLY A 29 -8.872 -15.799 3.775 1.00 0.00 C ATOM 4 O GLY A 29 -8.354 -15.570 4.866 1.00 0.00 O ATOM 0 HA2 GLY A 29 -10.754 -15.174 2.924 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.868 -15.704 4.590 1.00 0.00 H new ATOM 10 N LEU A 30 -8.173 -15.962 2.658 1.00 0.00 N ATOM 11 CA LEU A 30 -6.719 -15.879 2.655 1.00 0.00 C ATOM 12 C LEU A 30 -6.254 -14.824 1.660 1.00 0.00 C ATOM 13 O LEU A 30 -5.835 -15.150 0.550 1.00 0.00 O ATOM 14 CB LEU A 30 -6.116 -17.234 2.282 1.00 0.00 C ATOM 15 CG LEU A 30 -4.878 -17.495 3.141 1.00 0.00 C ATOM 16 CD1 LEU A 30 -5.304 -17.741 4.591 1.00 0.00 C ATOM 17 CD2 LEU A 30 -4.139 -18.726 2.608 1.00 0.00 C ATOM 0 H LEU A 30 -8.588 -16.152 1.746 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.385 -15.600 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.850 -18.025 2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.848 -17.246 1.226 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.218 -16.629 3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.421 -17.927 5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.830 -16.864 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.965 -18.607 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.256 -18.913 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.799 -19.592 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.835 -18.549 1.576 1.00 0.00 H new ATOM 29 N PRO A 31 -6.327 -13.576 2.035 1.00 0.00 N ATOM 30 CA PRO A 31 -5.907 -12.441 1.164 1.00 0.00 C ATOM 31 C PRO A 31 -4.552 -12.682 0.501 1.00 0.00 C ATOM 32 O PRO A 31 -4.310 -13.738 -0.082 1.00 0.00 O ATOM 33 CB PRO A 31 -5.836 -11.259 2.131 1.00 0.00 C ATOM 34 CG PRO A 31 -6.808 -11.585 3.216 1.00 0.00 C ATOM 35 CD PRO A 31 -6.825 -13.110 3.340 1.00 0.00 C ATOM 0 HA PRO A 31 -6.597 -12.287 0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.829 -11.135 2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.099 -10.326 1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.509 -11.123 4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.801 -11.204 2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.188 -13.452 4.156 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.829 -13.484 3.541 1.00 0.00 H new ATOM 43 N PHE A 32 -3.673 -11.693 0.592 1.00 0.00 N ATOM 44 CA PHE A 32 -2.349 -11.808 -0.005 1.00 0.00 C ATOM 45 C PHE A 32 -1.444 -12.674 0.865 1.00 0.00 C ATOM 46 O PHE A 32 -0.623 -13.434 0.354 1.00 0.00 O ATOM 47 CB PHE A 32 -1.729 -10.420 -0.154 1.00 0.00 C ATOM 48 CG PHE A 32 -1.567 -9.801 1.213 1.00 0.00 C ATOM 49 CD1 PHE A 32 -2.619 -9.076 1.781 1.00 0.00 C ATOM 50 CD2 PHE A 32 -0.367 -9.962 1.916 1.00 0.00 C ATOM 51 CE1 PHE A 32 -2.474 -8.509 3.053 1.00 0.00 C ATOM 52 CE2 PHE A 32 -0.219 -9.394 3.187 1.00 0.00 C ATOM 53 CZ PHE A 32 -1.273 -8.669 3.756 1.00 0.00 C ATOM 0 H PHE A 32 -3.850 -10.809 1.069 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.450 -12.274 -0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.762 -10.492 -0.651 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.362 -9.791 -0.779 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.544 -8.953 1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.444 -10.524 1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.287 -7.949 3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.708 -9.515 3.728 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.160 -8.233 4.738 1.00 0.00 H new ATOM 63 N GLY A 33 -1.609 -12.559 2.180 1.00 0.00 N ATOM 64 CA GLY A 33 -0.806 -13.339 3.119 1.00 0.00 C ATOM 65 C GLY A 33 0.671 -12.956 3.037 1.00 0.00 C ATOM 66 O GLY A 33 1.318 -12.729 4.059 1.00 0.00 O ATOM 0 H GLY A 33 -2.288 -11.937 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.170 -13.178 4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.921 -14.401 2.904 1.00 0.00 H new ATOM 70 N LEU A 34 1.196 -12.891 1.819 1.00 0.00 N ATOM 71 CA LEU A 34 2.597 -12.541 1.613 1.00 0.00 C ATOM 72 C LEU A 34 2.824 -12.063 0.185 1.00 0.00 C ATOM 73 O LEU A 34 2.627 -12.810 -0.773 1.00 0.00 O ATOM 74 CB LEU A 34 3.499 -13.751 1.876 1.00 0.00 C ATOM 75 CG LEU A 34 3.719 -13.934 3.383 1.00 0.00 C ATOM 76 CD1 LEU A 34 2.783 -15.018 3.925 1.00 0.00 C ATOM 77 CD2 LEU A 34 5.173 -14.348 3.626 1.00 0.00 C ATOM 0 H LEU A 34 0.675 -13.075 0.962 1.00 0.00 H new ATOM 0 HA LEU A 34 2.846 -11.741 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.046 -14.649 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.458 -13.614 1.376 1.00 0.00 H new ATOM 0 HG LEU A 34 3.506 -12.996 3.896 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.948 -15.139 4.996 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.748 -14.726 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.986 -15.961 3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.340 -14.481 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.376 -15.285 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.840 -13.573 3.248 1.00 0.00 H new ATOM 89 N MET A 35 3.246 -10.813 0.056 1.00 0.00 N ATOM 90 CA MET A 35 3.507 -10.235 -1.253 1.00 0.00 C ATOM 91 C MET A 35 2.209 -10.001 -2.006 1.00 0.00 C ATOM 92 O MET A 35 1.263 -10.783 -1.907 1.00 0.00 O ATOM 93 CB MET A 35 4.405 -11.163 -2.073 1.00 0.00 C ATOM 94 CG MET A 35 4.992 -10.388 -3.256 1.00 0.00 C ATOM 95 SD MET A 35 5.887 -11.523 -4.343 1.00 0.00 S ATOM 96 CE MET A 35 7.171 -12.008 -3.162 1.00 0.00 C ATOM 0 H MET A 35 3.414 -10.182 0.840 1.00 0.00 H new ATOM 0 HA MET A 35 4.010 -9.279 -1.105 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.207 -11.557 -1.448 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.832 -12.018 -2.432 1.00 0.00 H new ATOM 0 HG2 MET A 35 4.195 -9.891 -3.809 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.663 -9.609 -2.896 1.00 0.00 H new ATOM 0 HE1 MET A 35 8.136 -12.043 -3.668 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.213 -11.281 -2.351 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.938 -12.992 -2.755 1.00 0.00 H new ATOM 106 N ARG A 36 2.178 -8.916 -2.763 1.00 0.00 N ATOM 107 CA ARG A 36 1.008 -8.568 -3.544 1.00 0.00 C ATOM 108 C ARG A 36 1.080 -9.235 -4.906 1.00 0.00 C ATOM 109 O ARG A 36 2.161 -9.587 -5.378 1.00 0.00 O ATOM 110 CB ARG A 36 0.946 -7.056 -3.726 1.00 0.00 C ATOM 111 CG ARG A 36 0.892 -6.383 -2.356 1.00 0.00 C ATOM 112 CD ARG A 36 1.125 -4.885 -2.528 1.00 0.00 C ATOM 113 NE ARG A 36 0.142 -4.326 -3.446 1.00 0.00 N ATOM 114 CZ ARG A 36 -1.061 -3.961 -3.022 1.00 0.00 C ATOM 115 NH1 ARG A 36 -1.384 -4.120 -1.769 1.00 0.00 N ATOM 116 NH2 ARG A 36 -1.920 -3.450 -3.860 1.00 0.00 N ATOM 0 H ARG A 36 2.954 -8.260 -2.851 1.00 0.00 H new ATOM 0 HA ARG A 36 0.115 -8.911 -3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.818 -6.709 -4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.068 -6.785 -4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.075 -6.562 -1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.649 -6.809 -1.698 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.056 -4.385 -1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.131 -4.707 -2.908 1.00 0.00 H new ATOM 0 HE ARG A 36 0.382 -4.213 -4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.712 -4.524 -1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.308 -3.840 -1.441 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.667 -3.331 -4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.845 -3.169 -3.534 1.00 0.00 H new ATOM 130 N ARG A 37 -0.067 -9.391 -5.543 1.00 0.00 N ATOM 131 CA ARG A 37 -0.103 -10.000 -6.859 1.00 0.00 C ATOM 132 C ARG A 37 -1.136 -9.322 -7.736 1.00 0.00 C ATOM 133 O ARG A 37 -2.236 -8.992 -7.293 1.00 0.00 O ATOM 134 CB ARG A 37 -0.427 -11.486 -6.763 1.00 0.00 C ATOM 135 CG ARG A 37 -0.541 -12.064 -8.174 1.00 0.00 C ATOM 136 CD ARG A 37 -0.902 -13.540 -8.080 1.00 0.00 C ATOM 137 NE ARG A 37 0.202 -14.296 -7.506 1.00 0.00 N ATOM 138 CZ ARG A 37 -0.020 -15.424 -6.842 1.00 0.00 C ATOM 139 NH1 ARG A 37 -1.242 -15.852 -6.682 1.00 0.00 N ATOM 140 NH2 ARG A 37 0.981 -16.098 -6.346 1.00 0.00 N ATOM 0 H ARG A 37 -0.975 -9.108 -5.175 1.00 0.00 H new ATOM 0 HA ARG A 37 0.885 -9.878 -7.304 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.352 -12.006 -6.205 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.360 -11.633 -6.219 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.301 -11.526 -8.740 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.401 -11.941 -8.708 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.794 -13.664 -7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.140 -13.927 -9.071 1.00 0.00 H new ATOM 0 HE ARG A 37 1.157 -13.955 -7.615 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.023 -15.320 -7.067 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.416 -16.718 -6.172 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.935 -15.758 -6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.810 -16.965 -5.836 1.00 0.00 H new ATOM 154 N GLU A 38 -0.761 -9.123 -8.982 1.00 0.00 N ATOM 155 CA GLU A 38 -1.643 -8.486 -9.939 1.00 0.00 C ATOM 156 C GLU A 38 -1.634 -9.239 -11.258 1.00 0.00 C ATOM 157 O GLU A 38 -0.592 -9.710 -11.713 1.00 0.00 O ATOM 158 CB GLU A 38 -1.212 -7.037 -10.148 1.00 0.00 C ATOM 159 CG GLU A 38 -1.560 -6.231 -8.895 1.00 0.00 C ATOM 160 CD GLU A 38 -0.626 -6.609 -7.749 1.00 0.00 C ATOM 161 OE1 GLU A 38 0.417 -7.178 -8.024 1.00 0.00 O ATOM 162 OE2 GLU A 38 -0.970 -6.326 -6.614 1.00 0.00 O ATOM 0 H GLU A 38 0.149 -9.393 -9.357 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.660 -8.502 -9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.141 -6.987 -10.343 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.715 -6.616 -11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.477 -5.165 -9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.594 -6.420 -8.608 1.00 0.00 H new ATOM 169 N LEU A 39 -2.808 -9.349 -11.864 1.00 0.00 N ATOM 170 CA LEU A 39 -2.934 -10.046 -13.131 1.00 0.00 C ATOM 171 C LEU A 39 -3.893 -9.285 -14.043 1.00 0.00 C ATOM 172 O LEU A 39 -4.969 -8.873 -13.611 1.00 0.00 O ATOM 173 CB LEU A 39 -3.455 -11.468 -12.890 1.00 0.00 C ATOM 174 CG LEU A 39 -3.114 -12.359 -14.089 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.221 -13.828 -13.677 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.081 -12.083 -15.243 1.00 0.00 C ATOM 0 H LEU A 39 -3.680 -8.966 -11.500 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.957 -10.103 -13.611 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.011 -11.878 -11.983 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.534 -11.448 -12.736 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.098 -12.141 -14.417 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.979 -14.463 -14.529 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.524 -14.030 -12.864 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.237 -14.039 -13.344 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.829 -12.722 -16.089 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.101 -12.293 -14.921 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.002 -11.038 -15.541 1.00 0.00 H new ATOM 188 N ALA A 40 -3.504 -9.096 -15.298 1.00 0.00 N ATOM 189 CA ALA A 40 -4.362 -8.371 -16.234 1.00 0.00 C ATOM 190 C ALA A 40 -4.450 -9.093 -17.574 1.00 0.00 C ATOM 191 O ALA A 40 -3.471 -9.662 -18.058 1.00 0.00 O ATOM 192 CB ALA A 40 -3.832 -6.950 -16.449 1.00 0.00 C ATOM 0 H ALA A 40 -2.621 -9.425 -15.687 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.361 -8.323 -15.801 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.480 -6.422 -17.148 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.816 -6.420 -15.497 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.822 -6.996 -16.855 1.00 0.00 H new ATOM 198 N CYS A 41 -5.650 -9.082 -18.152 1.00 0.00 N ATOM 199 CA CYS A 41 -5.900 -9.755 -19.421 1.00 0.00 C ATOM 200 C CYS A 41 -5.162 -9.078 -20.569 1.00 0.00 C ATOM 201 O CYS A 41 -5.132 -7.850 -20.669 1.00 0.00 O ATOM 202 CB CYS A 41 -7.398 -9.740 -19.718 1.00 0.00 C ATOM 203 SG CYS A 41 -8.308 -10.436 -18.316 1.00 0.00 S ATOM 0 H CYS A 41 -6.465 -8.612 -17.758 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.537 -10.779 -19.334 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.730 -8.719 -19.908 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.605 -10.316 -20.620 1.00 0.00 H new ATOM 208 N GLU A 42 -4.560 -9.892 -21.430 1.00 0.00 N ATOM 209 CA GLU A 42 -3.819 -9.363 -22.568 1.00 0.00 C ATOM 210 C GLU A 42 -4.631 -8.332 -23.335 1.00 0.00 C ATOM 211 O GLU A 42 -5.800 -8.553 -23.656 1.00 0.00 O ATOM 212 CB GLU A 42 -3.424 -10.482 -23.531 1.00 0.00 C ATOM 213 CG GLU A 42 -2.649 -9.874 -24.703 1.00 0.00 C ATOM 214 CD GLU A 42 -2.253 -10.953 -25.703 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.610 -12.094 -25.484 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.597 -10.618 -26.676 1.00 0.00 O ATOM 0 H GLU A 42 -4.570 -10.910 -21.363 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.925 -8.888 -22.165 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.811 -11.223 -23.017 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.312 -10.999 -23.894 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.260 -9.119 -25.198 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.757 -9.369 -24.333 1.00 0.00 H new ATOM 223 N GLY A 43 -3.984 -7.223 -23.658 1.00 0.00 N ATOM 224 CA GLY A 43 -4.624 -6.169 -24.428 1.00 0.00 C ATOM 225 C GLY A 43 -5.121 -5.013 -23.567 1.00 0.00 C ATOM 226 O GLY A 43 -5.367 -3.926 -24.089 1.00 0.00 O ATOM 0 H GLY A 43 -3.017 -7.030 -23.399 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.918 -5.787 -25.165 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.464 -6.590 -24.980 1.00 0.00 H new ATOM 230 N TYR A 44 -5.267 -5.217 -22.260 1.00 0.00 N ATOM 231 CA TYR A 44 -5.729 -4.140 -21.394 1.00 0.00 C ATOM 232 C TYR A 44 -4.613 -3.723 -20.442 1.00 0.00 C ATOM 233 O TYR A 44 -3.742 -4.527 -20.109 1.00 0.00 O ATOM 234 CB TYR A 44 -6.948 -4.602 -20.595 1.00 0.00 C ATOM 235 CG TYR A 44 -8.149 -4.677 -21.507 1.00 0.00 C ATOM 236 CD1 TYR A 44 -8.377 -5.831 -22.266 1.00 0.00 C ATOM 237 CD2 TYR A 44 -9.034 -3.596 -21.594 1.00 0.00 C ATOM 238 CE1 TYR A 44 -9.489 -5.905 -23.111 1.00 0.00 C ATOM 239 CE2 TYR A 44 -10.147 -3.670 -22.440 1.00 0.00 C ATOM 240 CZ TYR A 44 -10.375 -4.824 -23.199 1.00 0.00 C ATOM 241 OH TYR A 44 -11.474 -4.897 -24.030 1.00 0.00 O ATOM 0 H TYR A 44 -5.076 -6.100 -21.786 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.009 -3.285 -22.009 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.755 -5.578 -20.149 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.143 -3.910 -19.776 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.694 -6.665 -22.199 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.858 -2.705 -21.009 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.664 -6.796 -23.696 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.830 -2.836 -22.507 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.985 -4.063 -23.971 1.00 0.00 H new ATOM 251 N PRO A 45 -4.622 -2.497 -20.004 1.00 0.00 N ATOM 252 CA PRO A 45 -3.585 -1.979 -19.072 1.00 0.00 C ATOM 253 C PRO A 45 -3.621 -2.650 -17.702 1.00 0.00 C ATOM 254 O PRO A 45 -4.667 -3.113 -17.247 1.00 0.00 O ATOM 255 CB PRO A 45 -3.882 -0.482 -18.956 1.00 0.00 C ATOM 256 CG PRO A 45 -5.272 -0.280 -19.470 1.00 0.00 C ATOM 257 CD PRO A 45 -5.621 -1.477 -20.352 1.00 0.00 C ATOM 0 HA PRO A 45 -2.585 -2.187 -19.451 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.800 -0.150 -17.921 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.166 0.101 -19.536 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.977 -0.196 -18.643 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.338 0.647 -20.040 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.633 -1.831 -20.158 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.571 -1.218 -21.410 1.00 0.00 H new ATOM 265 N ILE A 46 -2.467 -2.660 -17.042 1.00 0.00 N ATOM 266 CA ILE A 46 -2.347 -3.233 -15.706 1.00 0.00 C ATOM 267 C ILE A 46 -1.868 -2.133 -14.768 1.00 0.00 C ATOM 268 O ILE A 46 -1.031 -1.314 -15.145 1.00 0.00 O ATOM 269 CB ILE A 46 -1.347 -4.399 -15.709 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.402 -5.141 -14.370 1.00 0.00 C ATOM 271 CG2 ILE A 46 0.069 -3.864 -15.917 1.00 0.00 C ATOM 272 CD1 ILE A 46 -0.627 -6.457 -14.489 1.00 0.00 C ATOM 0 H ILE A 46 -1.598 -2.276 -17.413 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.311 -3.621 -15.377 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.609 -5.082 -16.517 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.973 -4.523 -13.581 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.437 -5.339 -14.093 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.775 -4.694 -15.918 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.123 -3.340 -16.871 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.320 -3.176 -15.110 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.664 -6.988 -13.538 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.076 -7.074 -15.267 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.411 -6.246 -14.747 1.00 0.00 H new ATOM 284 N GLU A 47 -2.419 -2.088 -13.568 1.00 0.00 N ATOM 285 CA GLU A 47 -2.040 -1.042 -12.629 1.00 0.00 C ATOM 286 C GLU A 47 -1.641 -1.602 -11.271 1.00 0.00 C ATOM 287 O GLU A 47 -2.372 -2.383 -10.662 1.00 0.00 O ATOM 288 CB GLU A 47 -3.201 -0.061 -12.471 1.00 0.00 C ATOM 289 CG GLU A 47 -2.788 1.069 -11.529 1.00 0.00 C ATOM 290 CD GLU A 47 -3.960 2.021 -11.322 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.064 1.661 -11.696 1.00 0.00 O ATOM 292 OE2 GLU A 47 -3.735 3.101 -10.803 1.00 0.00 O ATOM 0 H GLU A 47 -3.116 -2.748 -13.223 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.167 -0.530 -13.033 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.482 0.345 -13.442 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.076 -0.577 -12.076 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.468 0.658 -10.572 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.937 1.609 -11.945 1.00 0.00 H new ATOM 299 N LEU A 48 -0.475 -1.171 -10.803 1.00 0.00 N ATOM 300 CA LEU A 48 0.046 -1.592 -9.512 1.00 0.00 C ATOM 301 C LEU A 48 0.047 -0.406 -8.554 1.00 0.00 C ATOM 302 O LEU A 48 0.295 0.724 -8.972 1.00 0.00 O ATOM 303 CB LEU A 48 1.469 -2.114 -9.698 1.00 0.00 C ATOM 304 CG LEU A 48 1.472 -3.097 -10.865 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.902 -3.548 -11.166 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.615 -4.310 -10.507 1.00 0.00 C ATOM 0 H LEU A 48 0.131 -0.523 -11.306 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.580 -2.382 -9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.153 -1.289 -9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.815 -2.604 -8.788 1.00 0.00 H new ATOM 0 HG LEU A 48 1.062 -2.607 -11.748 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.894 -4.249 -12.000 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.510 -2.681 -11.426 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.323 -4.035 -10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.615 -5.014 -11.339 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.024 -4.795 -9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.406 -3.987 -10.305 1.00 0.00 H new ATOM 318 N ARG A 49 -0.220 -0.651 -7.276 1.00 0.00 N ATOM 319 CA ARG A 49 -0.229 0.439 -6.305 1.00 0.00 C ATOM 320 C ARG A 49 0.194 -0.038 -4.918 1.00 0.00 C ATOM 321 O ARG A 49 -0.341 -1.016 -4.394 1.00 0.00 O ATOM 322 CB ARG A 49 -1.627 1.055 -6.204 1.00 0.00 C ATOM 323 CG ARG A 49 -1.992 1.766 -7.506 1.00 0.00 C ATOM 324 CD ARG A 49 -3.285 2.553 -7.288 1.00 0.00 C ATOM 325 NE ARG A 49 -3.704 3.218 -8.513 1.00 0.00 N ATOM 326 CZ ARG A 49 -4.599 4.201 -8.479 1.00 0.00 C ATOM 327 NH1 ARG A 49 -5.062 4.614 -7.332 1.00 0.00 N ATOM 328 NH2 ARG A 49 -5.007 4.759 -9.585 1.00 0.00 N ATOM 0 H ARG A 49 -0.429 -1.573 -6.893 1.00 0.00 H new ATOM 0 HA ARG A 49 0.485 1.184 -6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.359 0.277 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.661 1.762 -5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.188 2.437 -7.809 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.122 1.041 -8.309 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.072 1.880 -6.948 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.137 3.292 -6.501 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.307 2.927 -9.407 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.738 4.183 -6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.749 5.368 -7.301 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.639 4.442 -10.482 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.694 5.513 -9.553 1.00 0.00 H new ATOM 342 N CYS A 50 1.135 0.686 -4.317 1.00 0.00 N ATOM 343 CA CYS A 50 1.606 0.363 -2.974 1.00 0.00 C ATOM 344 C CYS A 50 0.878 1.227 -1.949 1.00 0.00 C ATOM 345 O CYS A 50 0.563 2.386 -2.219 1.00 0.00 O ATOM 346 CB CYS A 50 3.114 0.611 -2.866 1.00 0.00 C ATOM 347 SG CYS A 50 4.017 -0.874 -3.370 1.00 0.00 S ATOM 0 H CYS A 50 1.585 1.499 -4.738 1.00 0.00 H new ATOM 0 HA CYS A 50 1.402 -0.689 -2.777 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.399 1.453 -3.497 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.376 0.877 -1.842 1.00 0.00 H new ATOM 352 N PRO A 51 0.606 0.694 -0.789 1.00 0.00 N ATOM 353 CA PRO A 51 -0.101 1.444 0.286 1.00 0.00 C ATOM 354 C PRO A 51 0.802 2.483 0.943 1.00 0.00 C ATOM 355 O PRO A 51 2.026 2.402 0.848 1.00 0.00 O ATOM 356 CB PRO A 51 -0.501 0.360 1.288 1.00 0.00 C ATOM 357 CG PRO A 51 0.465 -0.761 1.080 1.00 0.00 C ATOM 358 CD PRO A 51 0.944 -0.678 -0.372 1.00 0.00 C ATOM 0 HA PRO A 51 -0.952 2.006 -0.099 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.451 0.735 2.310 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.526 0.030 1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.306 -0.678 1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.012 -1.722 1.274 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.015 -0.865 -0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.446 -1.418 -0.998 1.00 0.00 H new ATOM 366 N GLY A 52 0.193 3.441 1.634 1.00 0.00 N ATOM 367 CA GLY A 52 0.957 4.470 2.329 1.00 0.00 C ATOM 368 C GLY A 52 1.957 5.152 1.402 1.00 0.00 C ATOM 369 O GLY A 52 1.601 5.648 0.333 1.00 0.00 O ATOM 0 H GLY A 52 -0.819 3.526 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.275 5.215 2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.487 4.024 3.171 1.00 0.00 H new ATOM 373 N SER A 53 3.212 5.171 1.833 1.00 0.00 N ATOM 374 CA SER A 53 4.280 5.791 1.059 1.00 0.00 C ATOM 375 C SER A 53 5.328 4.760 0.668 1.00 0.00 C ATOM 376 O SER A 53 6.478 5.100 0.394 1.00 0.00 O ATOM 377 CB SER A 53 4.936 6.900 1.878 1.00 0.00 C ATOM 378 OG SER A 53 5.459 6.346 3.078 1.00 0.00 O ATOM 0 H SER A 53 3.516 4.763 2.717 1.00 0.00 H new ATOM 0 HA SER A 53 3.848 6.213 0.152 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.733 7.371 1.303 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.208 7.678 2.109 1.00 0.00 H new ATOM 0 HG SER A 53 5.883 7.053 3.607 1.00 0.00 H new ATOM 384 N ASP A 54 4.918 3.500 0.624 1.00 0.00 N ATOM 385 CA ASP A 54 5.823 2.433 0.243 1.00 0.00 C ATOM 386 C ASP A 54 6.044 2.472 -1.265 1.00 0.00 C ATOM 387 O ASP A 54 5.320 3.160 -1.984 1.00 0.00 O ATOM 388 CB ASP A 54 5.237 1.083 0.661 1.00 0.00 C ATOM 389 CG ASP A 54 5.146 1.004 2.181 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.871 1.735 2.837 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.352 0.216 2.669 1.00 0.00 O ATOM 0 H ASP A 54 3.970 3.196 0.846 1.00 0.00 H new ATOM 0 HA ASP A 54 6.780 2.567 0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.248 0.955 0.222 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.861 0.273 0.283 1.00 0.00 H new ATOM 396 N VAL A 55 7.022 1.719 -1.748 1.00 0.00 N ATOM 397 CA VAL A 55 7.284 1.681 -3.181 1.00 0.00 C ATOM 398 C VAL A 55 7.267 0.245 -3.671 1.00 0.00 C ATOM 399 O VAL A 55 7.652 -0.676 -2.952 1.00 0.00 O ATOM 400 CB VAL A 55 8.629 2.329 -3.515 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.557 3.823 -3.216 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.736 1.695 -2.670 1.00 0.00 C ATOM 0 H VAL A 55 7.638 1.136 -1.181 1.00 0.00 H new ATOM 0 HA VAL A 55 6.500 2.247 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 55 8.851 2.174 -4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.514 4.288 -3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.773 4.278 -3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.333 3.972 -2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.691 2.161 -2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.518 1.845 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.789 0.627 -2.882 1.00 0.00 H new ATOM 412 N ILE A 56 6.792 0.065 -4.891 1.00 0.00 N ATOM 413 CA ILE A 56 6.694 -1.260 -5.474 1.00 0.00 C ATOM 414 C ILE A 56 8.069 -1.851 -5.771 1.00 0.00 C ATOM 415 O ILE A 56 8.948 -1.179 -6.311 1.00 0.00 O ATOM 416 CB ILE A 56 5.890 -1.189 -6.769 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.510 -0.586 -6.485 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.725 -2.599 -7.336 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.824 -0.244 -7.809 1.00 0.00 C ATOM 0 H ILE A 56 6.469 0.820 -5.496 1.00 0.00 H new ATOM 0 HA ILE A 56 6.196 -1.905 -4.751 1.00 0.00 H new ATOM 0 HB ILE A 56 6.414 -0.563 -7.491 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.902 -1.292 -5.919 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.611 0.310 -5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.151 -2.554 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.707 -3.027 -7.538 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.199 -3.223 -6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.842 0.185 -7.610 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.430 0.477 -8.357 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.710 -1.150 -8.404 1.00 0.00 H new ATOM 431 N MET A 57 8.225 -3.130 -5.447 1.00 0.00 N ATOM 432 CA MET A 57 9.467 -3.840 -5.715 1.00 0.00 C ATOM 433 C MET A 57 9.131 -5.165 -6.391 1.00 0.00 C ATOM 434 O MET A 57 8.719 -6.129 -5.751 1.00 0.00 O ATOM 435 CB MET A 57 10.264 -4.063 -4.423 1.00 0.00 C ATOM 436 CG MET A 57 9.757 -5.301 -3.683 1.00 0.00 C ATOM 437 SD MET A 57 10.326 -5.236 -1.967 1.00 0.00 S ATOM 438 CE MET A 57 12.050 -4.801 -2.314 1.00 0.00 C ATOM 0 H MET A 57 7.505 -3.696 -4.998 1.00 0.00 H new ATOM 0 HA MET A 57 10.095 -3.243 -6.376 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.322 -4.181 -4.658 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.176 -3.187 -3.780 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.668 -5.340 -3.717 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.124 -6.206 -4.167 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.671 -5.066 -1.458 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.393 -5.346 -3.194 1.00 0.00 H new ATOM 0 HE3 MET A 57 12.125 -3.729 -2.499 1.00 0.00 H new ATOM 448 N VAL A 58 9.268 -5.171 -7.707 1.00 0.00 N ATOM 449 CA VAL A 58 8.941 -6.350 -8.498 1.00 0.00 C ATOM 450 C VAL A 58 9.845 -7.528 -8.164 1.00 0.00 C ATOM 451 O VAL A 58 11.070 -7.430 -8.220 1.00 0.00 O ATOM 452 CB VAL A 58 9.037 -6.019 -9.987 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.645 -7.245 -10.816 1.00 0.00 C ATOM 454 CG2 VAL A 58 8.078 -4.869 -10.303 1.00 0.00 C ATOM 0 H VAL A 58 9.603 -4.375 -8.251 1.00 0.00 H new ATOM 0 HA VAL A 58 7.920 -6.642 -8.252 1.00 0.00 H new ATOM 0 HB VAL A 58 10.060 -5.731 -10.232 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.715 -7.004 -11.877 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.319 -8.070 -10.586 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.622 -7.534 -10.576 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.139 -4.625 -11.364 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.059 -5.167 -10.057 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.352 -3.994 -9.713 1.00 0.00 H new ATOM 464 N GLU A 59 9.215 -8.649 -7.828 1.00 0.00 N ATOM 465 CA GLU A 59 9.946 -9.863 -7.497 1.00 0.00 C ATOM 466 C GLU A 59 9.900 -10.828 -8.674 1.00 0.00 C ATOM 467 O GLU A 59 10.932 -11.337 -9.110 1.00 0.00 O ATOM 468 CB GLU A 59 9.336 -10.517 -6.254 1.00 0.00 C ATOM 469 CG GLU A 59 9.620 -9.641 -5.031 1.00 0.00 C ATOM 470 CD GLU A 59 11.121 -9.591 -4.767 1.00 0.00 C ATOM 471 OE1 GLU A 59 11.824 -10.433 -5.301 1.00 0.00 O ATOM 472 OE2 GLU A 59 11.545 -8.714 -4.033 1.00 0.00 O ATOM 0 H GLU A 59 8.200 -8.740 -7.778 1.00 0.00 H new ATOM 0 HA GLU A 59 10.985 -9.610 -7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.261 -10.642 -6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.757 -11.512 -6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.237 -8.634 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.101 -10.039 -4.159 1.00 0.00 H new ATOM 479 N ASN A 60 8.698 -11.081 -9.186 1.00 0.00 N ATOM 480 CA ASN A 60 8.542 -11.993 -10.312 1.00 0.00 C ATOM 481 C ASN A 60 7.342 -11.592 -11.167 1.00 0.00 C ATOM 482 O ASN A 60 6.361 -11.044 -10.664 1.00 0.00 O ATOM 483 CB ASN A 60 8.335 -13.419 -9.797 1.00 0.00 C ATOM 484 CG ASN A 60 9.382 -13.762 -8.745 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.572 -13.520 -8.946 1.00 0.00 O ATOM 486 ND2 ASN A 60 9.003 -14.315 -7.625 1.00 0.00 N ATOM 0 H ASN A 60 7.829 -10.672 -8.843 1.00 0.00 H new ATOM 0 HA ASN A 60 9.445 -11.945 -10.921 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.337 -13.517 -9.371 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.398 -14.124 -10.626 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.694 -14.548 -6.912 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.016 -14.514 -7.463 1.00 0.00 H new ATOM 493 N ALA A 61 7.432 -11.867 -12.464 1.00 0.00 N ATOM 494 CA ALA A 61 6.355 -11.530 -13.388 1.00 0.00 C ATOM 495 C ALA A 61 6.566 -12.245 -14.720 1.00 0.00 C ATOM 496 O ALA A 61 7.692 -12.589 -15.076 1.00 0.00 O ATOM 497 CB ALA A 61 6.310 -10.017 -13.610 1.00 0.00 C ATOM 0 H ALA A 61 8.236 -12.320 -12.898 1.00 0.00 H new ATOM 0 HA ALA A 61 5.407 -11.854 -12.958 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.503 -9.775 -14.301 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.136 -9.515 -12.658 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.259 -9.682 -14.029 1.00 0.00 H new ATOM 503 N ASN A 62 5.477 -12.483 -15.446 1.00 0.00 N ATOM 504 CA ASN A 62 5.573 -13.179 -16.726 1.00 0.00 C ATOM 505 C ASN A 62 4.461 -12.754 -17.678 1.00 0.00 C ATOM 506 O ASN A 62 3.325 -12.522 -17.262 1.00 0.00 O ATOM 507 CB ASN A 62 5.483 -14.687 -16.490 1.00 0.00 C ATOM 508 CG ASN A 62 5.745 -15.438 -17.789 1.00 0.00 C ATOM 509 OD1 ASN A 62 6.884 -15.807 -18.079 1.00 0.00 O ATOM 510 ND2 ASN A 62 4.749 -15.682 -18.593 1.00 0.00 N ATOM 0 H ASN A 62 4.532 -12.209 -15.176 1.00 0.00 H new ATOM 0 HA ASN A 62 6.529 -12.921 -17.181 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.208 -14.988 -15.734 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.496 -14.944 -16.105 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.910 -16.181 -19.468 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.808 -15.374 -18.347 1.00 0.00 H new ATOM 517 N TYR A 63 4.790 -12.681 -18.964 1.00 0.00 N ATOM 518 CA TYR A 63 3.812 -12.315 -19.978 1.00 0.00 C ATOM 519 C TYR A 63 3.595 -13.497 -20.916 1.00 0.00 C ATOM 520 O TYR A 63 4.538 -13.981 -21.544 1.00 0.00 O ATOM 521 CB TYR A 63 4.311 -11.108 -20.771 1.00 0.00 C ATOM 522 CG TYR A 63 3.328 -10.789 -21.868 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.127 -10.144 -21.560 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.618 -11.137 -23.191 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.212 -9.847 -22.575 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.704 -10.840 -24.208 1.00 0.00 C ATOM 527 CZ TYR A 63 1.500 -10.195 -23.900 1.00 0.00 C ATOM 528 OH TYR A 63 0.596 -9.902 -24.900 1.00 0.00 O ATOM 0 H TYR A 63 5.725 -12.870 -19.326 1.00 0.00 H new ATOM 0 HA TYR A 63 2.870 -12.054 -19.496 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.428 -10.248 -20.111 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.292 -11.319 -21.197 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.905 -9.875 -20.538 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.547 -11.635 -23.428 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.284 -9.349 -22.337 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.927 -11.108 -25.230 1.00 0.00 H new ATOM 0 HH TYR A 63 0.949 -10.210 -25.761 1.00 0.00 H new ATOM 538 N GLY A 64 2.360 -13.977 -20.991 1.00 0.00 N ATOM 539 CA GLY A 64 2.068 -15.127 -21.840 1.00 0.00 C ATOM 540 C GLY A 64 0.771 -15.804 -21.410 1.00 0.00 C ATOM 541 O GLY A 64 -0.228 -15.140 -21.137 1.00 0.00 O ATOM 0 H GLY A 64 1.559 -13.598 -20.486 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.989 -14.807 -22.879 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.890 -15.841 -21.788 1.00 0.00 H new ATOM 545 N ARG A 65 0.804 -17.137 -21.356 1.00 0.00 N ATOM 546 CA ARG A 65 -0.372 -17.912 -20.959 1.00 0.00 C ATOM 547 C ARG A 65 0.025 -19.288 -20.430 1.00 0.00 C ATOM 548 O ARG A 65 0.578 -20.109 -21.162 1.00 0.00 O ATOM 549 CB ARG A 65 -1.339 -18.068 -22.141 1.00 0.00 C ATOM 550 CG ARG A 65 -2.417 -19.104 -21.798 1.00 0.00 C ATOM 551 CD ARG A 65 -3.677 -18.844 -22.635 1.00 0.00 C ATOM 552 NE ARG A 65 -4.672 -18.098 -21.865 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.730 -17.557 -22.461 1.00 0.00 C ATOM 554 NH1 ARG A 65 -5.901 -17.720 -23.742 1.00 0.00 N ATOM 555 NH2 ARG A 65 -6.600 -16.870 -21.768 1.00 0.00 N ATOM 0 H ARG A 65 1.626 -17.698 -21.580 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.872 -17.367 -20.158 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.803 -17.109 -22.372 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.792 -18.380 -23.031 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.042 -20.109 -21.992 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.658 -19.053 -20.736 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.413 -18.285 -23.533 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.102 -19.792 -22.963 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.553 -17.991 -20.858 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.225 -18.260 -24.282 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.711 -17.307 -24.205 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.469 -16.747 -20.764 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.410 -16.457 -22.231 1.00 0.00 H new ATOM 569 N THR A 66 -0.278 -19.539 -19.154 1.00 0.00 N ATOM 570 CA THR A 66 0.037 -20.831 -18.541 1.00 0.00 C ATOM 571 C THR A 66 -1.232 -21.495 -18.024 1.00 0.00 C ATOM 572 O THR A 66 -1.178 -22.482 -17.291 1.00 0.00 O ATOM 573 CB THR A 66 1.022 -20.663 -17.379 1.00 0.00 C ATOM 574 OG1 THR A 66 0.361 -20.050 -16.283 1.00 0.00 O ATOM 575 CG2 THR A 66 2.200 -19.794 -17.818 1.00 0.00 C ATOM 0 H THR A 66 -0.736 -18.873 -18.532 1.00 0.00 H new ATOM 0 HA THR A 66 0.494 -21.458 -19.307 1.00 0.00 H new ATOM 0 HB THR A 66 1.393 -21.643 -17.079 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.190 -19.307 -16.607 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.896 -19.679 -16.987 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.710 -20.269 -18.656 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.835 -18.814 -18.124 1.00 0.00 H new ATOM 583 N ASP A 67 -2.373 -20.944 -18.413 1.00 0.00 N ATOM 584 CA ASP A 67 -3.653 -21.479 -17.990 1.00 0.00 C ATOM 585 C ASP A 67 -4.667 -21.321 -19.119 1.00 0.00 C ATOM 586 O ASP A 67 -4.302 -21.018 -20.255 1.00 0.00 O ATOM 587 CB ASP A 67 -4.128 -20.733 -16.744 1.00 0.00 C ATOM 588 CG ASP A 67 -5.218 -21.527 -16.031 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.567 -22.591 -16.517 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.687 -21.061 -15.004 1.00 0.00 O ATOM 0 H ASP A 67 -2.435 -20.127 -19.021 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.551 -22.538 -17.752 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.288 -20.569 -16.069 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.509 -19.751 -17.024 1.00 0.00 H new ATOM 595 N ASP A 68 -5.937 -21.515 -18.801 1.00 0.00 N ATOM 596 CA ASP A 68 -6.991 -21.380 -19.799 1.00 0.00 C ATOM 597 C ASP A 68 -8.276 -20.916 -19.133 1.00 0.00 C ATOM 598 O ASP A 68 -9.291 -20.695 -19.793 1.00 0.00 O ATOM 599 CB ASP A 68 -7.225 -22.715 -20.504 1.00 0.00 C ATOM 600 CG ASP A 68 -7.680 -23.762 -19.494 1.00 0.00 C ATOM 601 OD1 ASP A 68 -8.444 -23.410 -18.611 1.00 0.00 O ATOM 602 OD2 ASP A 68 -7.265 -24.901 -19.625 1.00 0.00 O ATOM 0 H ASP A 68 -6.263 -21.765 -17.867 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.683 -20.641 -20.538 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.978 -22.598 -21.283 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.308 -23.043 -20.993 1.00 0.00 H new ATOM 607 N LYS A 69 -8.212 -20.762 -17.817 1.00 0.00 N ATOM 608 CA LYS A 69 -9.362 -20.313 -17.051 1.00 0.00 C ATOM 609 C LYS A 69 -9.232 -18.837 -16.723 1.00 0.00 C ATOM 610 O LYS A 69 -10.031 -18.293 -15.961 1.00 0.00 O ATOM 611 CB LYS A 69 -9.457 -21.089 -15.739 1.00 0.00 C ATOM 612 CG LYS A 69 -9.640 -22.574 -16.027 1.00 0.00 C ATOM 613 CD LYS A 69 -9.934 -23.302 -14.715 1.00 0.00 C ATOM 614 CE LYS A 69 -10.144 -24.791 -14.988 1.00 0.00 C ATOM 615 NZ LYS A 69 -11.590 -25.042 -15.251 1.00 0.00 N ATOM 0 H LYS A 69 -7.376 -20.942 -17.260 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.255 -20.483 -17.652 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.555 -20.933 -15.148 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -10.294 -20.719 -15.147 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.458 -22.723 -16.732 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.742 -22.981 -16.491 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.108 -23.163 -14.018 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.822 -22.880 -14.245 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.547 -25.104 -15.844 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.810 -25.380 -14.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.738 -26.054 -15.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.148 -24.757 -14.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.893 -24.490 -16.078 1.00 0.00 H new ATOM 629 N ILE A 70 -8.211 -18.191 -17.274 1.00 0.00 N ATOM 630 CA ILE A 70 -7.979 -16.783 -16.997 1.00 0.00 C ATOM 631 C ILE A 70 -8.408 -15.938 -18.188 1.00 0.00 C ATOM 632 O ILE A 70 -8.062 -16.240 -19.331 1.00 0.00 O ATOM 633 CB ILE A 70 -6.487 -16.565 -16.743 1.00 0.00 C ATOM 634 CG1 ILE A 70 -5.942 -17.715 -15.900 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.278 -15.252 -15.993 1.00 0.00 C ATOM 636 CD1 ILE A 70 -4.431 -17.552 -15.739 1.00 0.00 C ATOM 0 H ILE A 70 -7.537 -18.617 -17.910 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.558 -16.489 -16.122 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.963 -16.526 -17.698 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.424 -17.725 -14.923 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.168 -18.669 -16.376 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.213 -15.101 -15.814 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.667 -14.427 -16.589 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.804 -15.290 -15.039 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.039 -18.372 -15.137 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.957 -17.563 -16.721 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.218 -16.604 -15.244 1.00 0.00 H new ATOM 648 N CYS A 71 -9.171 -14.885 -17.923 1.00 0.00 N ATOM 649 CA CYS A 71 -9.639 -14.026 -18.999 1.00 0.00 C ATOM 650 C CYS A 71 -10.261 -14.887 -20.093 1.00 0.00 C ATOM 651 O CYS A 71 -9.625 -15.211 -21.096 1.00 0.00 O ATOM 652 CB CYS A 71 -8.475 -13.203 -19.553 1.00 0.00 C ATOM 653 SG CYS A 71 -7.649 -12.342 -18.190 1.00 0.00 S ATOM 0 H CYS A 71 -9.474 -14.610 -16.989 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.393 -13.336 -18.619 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.768 -13.853 -20.069 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.840 -12.483 -20.285 1.00 0.00 H new ATOM 658 N ASP A 72 -11.508 -15.265 -19.858 1.00 0.00 N ATOM 659 CA ASP A 72 -12.251 -16.113 -20.780 1.00 0.00 C ATOM 660 C ASP A 72 -12.272 -15.552 -22.205 1.00 0.00 C ATOM 661 O ASP A 72 -13.078 -14.684 -22.538 1.00 0.00 O ATOM 662 CB ASP A 72 -13.674 -16.289 -20.256 1.00 0.00 C ATOM 663 CG ASP A 72 -14.337 -14.927 -20.069 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.833 -13.962 -20.618 1.00 0.00 O ATOM 665 OD2 ASP A 72 -15.336 -14.868 -19.370 1.00 0.00 O ATOM 0 H ASP A 72 -12.033 -14.994 -19.026 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.747 -17.078 -20.833 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.255 -16.892 -20.954 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.657 -16.827 -19.308 1.00 0.00 H new ATOM 670 N ALA A 73 -11.389 -16.083 -23.044 1.00 0.00 N ATOM 671 CA ALA A 73 -11.307 -15.674 -24.443 1.00 0.00 C ATOM 672 C ALA A 73 -11.765 -16.827 -25.327 1.00 0.00 C ATOM 673 O ALA A 73 -12.237 -17.845 -24.819 1.00 0.00 O ATOM 674 CB ALA A 73 -9.865 -15.296 -24.795 1.00 0.00 C ATOM 0 H ALA A 73 -10.716 -16.802 -22.778 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.948 -14.808 -24.606 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.813 -14.992 -25.841 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.540 -14.471 -24.161 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.214 -16.155 -24.634 1.00 0.00 H new ATOM 680 N ASP A 74 -11.624 -16.692 -26.643 1.00 0.00 N ATOM 681 CA ASP A 74 -12.040 -17.773 -27.523 1.00 0.00 C ATOM 682 C ASP A 74 -11.278 -19.044 -27.152 1.00 0.00 C ATOM 683 O ASP A 74 -10.066 -19.006 -26.918 1.00 0.00 O ATOM 684 CB ASP A 74 -11.785 -17.413 -28.994 1.00 0.00 C ATOM 685 CG ASP A 74 -10.529 -16.557 -29.125 1.00 0.00 C ATOM 686 OD1 ASP A 74 -9.966 -16.204 -28.104 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.153 -16.265 -30.249 1.00 0.00 O ATOM 0 H ASP A 74 -11.237 -15.872 -27.110 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.110 -17.937 -27.399 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.675 -18.323 -29.583 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.643 -16.874 -29.397 1.00 0.00 H new ATOM 692 N PRO A 75 -11.953 -20.161 -27.063 1.00 0.00 N ATOM 693 CA PRO A 75 -11.300 -21.436 -26.677 1.00 0.00 C ATOM 694 C PRO A 75 -10.044 -21.710 -27.500 1.00 0.00 C ATOM 695 O PRO A 75 -9.061 -22.242 -26.983 1.00 0.00 O ATOM 696 CB PRO A 75 -12.364 -22.517 -26.913 1.00 0.00 C ATOM 697 CG PRO A 75 -13.553 -21.839 -27.516 1.00 0.00 C ATOM 698 CD PRO A 75 -13.390 -20.335 -27.312 1.00 0.00 C ATOM 0 HA PRO A 75 -10.963 -21.410 -25.641 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.984 -23.293 -27.578 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.633 -23.004 -25.976 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.628 -22.074 -28.578 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.472 -22.190 -27.046 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.713 -19.776 -28.190 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.986 -19.980 -26.471 1.00 0.00 H new ATOM 706 N PHE A 76 -10.072 -21.332 -28.776 1.00 0.00 N ATOM 707 CA PHE A 76 -8.921 -21.550 -29.647 1.00 0.00 C ATOM 708 C PHE A 76 -7.707 -20.788 -29.138 1.00 0.00 C ATOM 709 O PHE A 76 -6.585 -21.289 -29.198 1.00 0.00 O ATOM 710 CB PHE A 76 -9.250 -21.102 -31.074 1.00 0.00 C ATOM 711 CG PHE A 76 -10.290 -22.026 -31.657 1.00 0.00 C ATOM 712 CD1 PHE A 76 -9.894 -23.189 -32.330 1.00 0.00 C ATOM 713 CD2 PHE A 76 -11.651 -21.727 -31.520 1.00 0.00 C ATOM 714 CE1 PHE A 76 -10.859 -24.051 -32.866 1.00 0.00 C ATOM 715 CE2 PHE A 76 -12.616 -22.591 -32.053 1.00 0.00 C ATOM 716 CZ PHE A 76 -12.219 -23.752 -32.727 1.00 0.00 C ATOM 0 H PHE A 76 -10.868 -20.879 -29.225 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.689 -22.615 -29.646 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.619 -20.076 -31.070 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.350 -21.114 -31.688 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.844 -23.421 -32.436 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.957 -20.830 -31.003 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.554 -24.947 -33.387 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.666 -22.362 -31.944 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.963 -24.417 -33.140 1.00 0.00 H new ATOM 726 N GLN A 77 -7.927 -19.584 -28.632 1.00 0.00 N ATOM 727 CA GLN A 77 -6.818 -18.796 -28.116 1.00 0.00 C ATOM 728 C GLN A 77 -6.516 -19.190 -26.677 1.00 0.00 C ATOM 729 O GLN A 77 -5.516 -18.764 -26.111 1.00 0.00 O ATOM 730 CB GLN A 77 -7.136 -17.301 -28.187 1.00 0.00 C ATOM 731 CG GLN A 77 -7.378 -16.895 -29.642 1.00 0.00 C ATOM 732 CD GLN A 77 -7.602 -15.390 -29.731 1.00 0.00 C ATOM 733 OE1 GLN A 77 -7.459 -14.658 -28.663 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -7.906 -14.866 -30.802 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.842 -19.139 -28.568 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.942 -18.996 -28.734 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.017 -17.078 -27.585 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.311 -16.723 -27.770 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.523 -17.181 -30.255 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.245 -17.424 -30.037 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.018 -15.441 -31.637 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.046 -13.857 -30.854 1.00 0.00 H new ATOM 743 N MET A 78 -7.378 -20.010 -26.084 1.00 0.00 N ATOM 744 CA MET A 78 -7.156 -20.445 -24.705 1.00 0.00 C ATOM 745 C MET A 78 -6.654 -21.883 -24.653 1.00 0.00 C ATOM 746 O MET A 78 -6.413 -22.423 -23.572 1.00 0.00 O ATOM 747 CB MET A 78 -8.438 -20.318 -23.885 1.00 0.00 C ATOM 748 CG MET A 78 -8.893 -18.862 -23.887 1.00 0.00 C ATOM 749 SD MET A 78 -10.327 -18.680 -22.798 1.00 0.00 S ATOM 750 CE MET A 78 -9.424 -18.462 -21.246 1.00 0.00 C ATOM 0 H MET A 78 -8.220 -20.381 -26.523 1.00 0.00 H new ATOM 0 HA MET A 78 -6.393 -19.796 -24.276 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.217 -20.955 -24.304 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.265 -20.656 -22.863 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.082 -18.216 -23.551 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.149 -18.551 -24.900 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.067 -18.735 -20.409 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.540 -19.100 -21.247 1.00 0.00 H new ATOM 0 HE3 MET A 78 -9.120 -17.420 -21.145 1.00 0.00 H new ATOM 760 N GLU A 79 -6.515 -22.510 -25.815 1.00 0.00 N ATOM 761 CA GLU A 79 -6.061 -23.900 -25.860 1.00 0.00 C ATOM 762 C GLU A 79 -4.656 -24.071 -25.279 1.00 0.00 C ATOM 763 O GLU A 79 -4.434 -24.960 -24.458 1.00 0.00 O ATOM 764 CB GLU A 79 -6.076 -24.420 -27.303 1.00 0.00 C ATOM 765 CG GLU A 79 -7.494 -24.832 -27.693 1.00 0.00 C ATOM 766 CD GLU A 79 -7.483 -25.532 -29.047 1.00 0.00 C ATOM 767 OE1 GLU A 79 -6.557 -25.298 -29.807 1.00 0.00 O ATOM 768 OE2 GLU A 79 -8.398 -26.297 -29.302 1.00 0.00 O ATOM 0 H GLU A 79 -6.705 -22.090 -26.725 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.753 -24.477 -25.247 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.713 -23.647 -27.981 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.401 -25.271 -27.399 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.909 -25.496 -26.935 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.138 -23.953 -27.734 1.00 0.00 H new ATOM 775 N ASN A 80 -3.700 -23.256 -25.714 1.00 0.00 N ATOM 776 CA ASN A 80 -2.323 -23.386 -25.227 1.00 0.00 C ATOM 777 C ASN A 80 -2.131 -22.780 -23.835 1.00 0.00 C ATOM 778 O ASN A 80 -2.304 -21.579 -23.636 1.00 0.00 O ATOM 779 CB ASN A 80 -1.375 -22.694 -26.208 1.00 0.00 C ATOM 780 CG ASN A 80 0.075 -22.986 -25.837 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.417 -24.120 -25.506 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.954 -22.021 -25.875 1.00 0.00 N ATOM 0 H ASN A 80 -3.845 -22.508 -26.392 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.103 -24.451 -25.154 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.575 -23.039 -27.222 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.551 -21.618 -26.197 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.926 -22.207 -25.630 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.668 -21.081 -26.150 1.00 0.00 H new ATOM 789 N VAL A 81 -1.760 -23.635 -22.881 1.00 0.00 N ATOM 790 CA VAL A 81 -1.527 -23.196 -21.506 1.00 0.00 C ATOM 791 C VAL A 81 -0.040 -23.251 -21.159 1.00 0.00 C ATOM 792 O VAL A 81 0.326 -23.477 -20.006 1.00 0.00 O ATOM 793 CB VAL A 81 -2.304 -24.068 -20.521 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.794 -24.041 -20.870 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.788 -25.507 -20.593 1.00 0.00 C ATOM 0 H VAL A 81 -1.615 -24.633 -23.035 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.874 -22.166 -21.428 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.164 -23.682 -19.511 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.344 -24.664 -20.165 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.162 -23.017 -20.813 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.938 -24.423 -21.881 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.343 -26.128 -19.890 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.924 -25.892 -21.603 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.729 -25.527 -20.337 1.00 0.00 H new ATOM 805 N GLN A 82 0.809 -23.056 -22.161 1.00 0.00 N ATOM 806 CA GLN A 82 2.251 -23.089 -21.945 1.00 0.00 C ATOM 807 C GLN A 82 2.941 -22.011 -22.777 1.00 0.00 C ATOM 808 O GLN A 82 3.392 -22.268 -23.893 1.00 0.00 O ATOM 809 CB GLN A 82 2.809 -24.466 -22.308 1.00 0.00 C ATOM 810 CG GLN A 82 2.215 -25.517 -21.368 1.00 0.00 C ATOM 811 CD GLN A 82 2.710 -25.290 -19.943 1.00 0.00 C ATOM 812 OE1 GLN A 82 3.917 -25.252 -19.701 1.00 0.00 O ATOM 813 NE2 GLN A 82 1.844 -25.135 -18.979 1.00 0.00 N ATOM 0 H GLN A 82 0.527 -22.875 -23.124 1.00 0.00 H new ATOM 0 HA GLN A 82 2.446 -22.895 -20.890 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.566 -24.708 -23.343 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.896 -24.463 -22.228 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.127 -25.466 -21.395 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.496 -26.515 -21.703 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.845 -25.167 -19.181 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.166 -24.982 -18.023 1.00 0.00 H new ATOM 822 N CYS A 83 3.026 -20.806 -22.219 1.00 0.00 N ATOM 823 CA CYS A 83 3.670 -19.685 -22.898 1.00 0.00 C ATOM 824 C CYS A 83 4.372 -18.808 -21.865 1.00 0.00 C ATOM 825 O CYS A 83 3.729 -18.316 -20.935 1.00 0.00 O ATOM 826 CB CYS A 83 2.618 -18.856 -23.632 1.00 0.00 C ATOM 827 SG CYS A 83 3.306 -17.238 -24.049 1.00 0.00 S ATOM 0 H CYS A 83 2.656 -20.581 -21.296 1.00 0.00 H new ATOM 0 HA CYS A 83 4.397 -20.065 -23.616 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.301 -19.372 -24.538 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.733 -18.736 -23.007 1.00 0.00 H new ATOM 832 N TYR A 84 5.684 -18.615 -22.015 1.00 0.00 N ATOM 833 CA TYR A 84 6.435 -17.801 -21.059 1.00 0.00 C ATOM 834 C TYR A 84 7.333 -16.776 -21.752 1.00 0.00 C ATOM 835 O TYR A 84 7.724 -16.952 -22.907 1.00 0.00 O ATOM 836 CB TYR A 84 7.322 -18.701 -20.196 1.00 0.00 C ATOM 837 CG TYR A 84 6.476 -19.652 -19.389 1.00 0.00 C ATOM 838 CD1 TYR A 84 6.093 -20.882 -19.934 1.00 0.00 C ATOM 839 CD2 TYR A 84 6.083 -19.309 -18.090 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.316 -21.769 -19.181 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.307 -20.196 -17.335 1.00 0.00 C ATOM 842 CZ TYR A 84 4.922 -21.427 -17.882 1.00 0.00 C ATOM 843 OH TYR A 84 4.158 -22.302 -17.139 1.00 0.00 O ATOM 0 H TYR A 84 6.240 -19.004 -22.776 1.00 0.00 H new ATOM 0 HA TYR A 84 5.703 -17.270 -20.451 1.00 0.00 H new ATOM 0 HB2 TYR A 84 8.008 -19.263 -20.830 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.931 -18.091 -19.529 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.397 -21.147 -20.936 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.379 -18.359 -17.670 1.00 0.00 H new ATOM 0 HE1 TYR A 84 5.020 -22.718 -19.602 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.005 -19.932 -16.332 1.00 0.00 H new ATOM 0 HH TYR A 84 3.973 -21.910 -16.260 1.00 0.00 H new ATOM 853 N LEU A 85 7.676 -15.720 -21.016 1.00 0.00 N ATOM 854 CA LEU A 85 8.559 -14.675 -21.530 1.00 0.00 C ATOM 855 C LEU A 85 9.385 -14.086 -20.387 1.00 0.00 C ATOM 856 O LEU A 85 8.964 -13.131 -19.736 1.00 0.00 O ATOM 857 CB LEU A 85 7.751 -13.568 -22.206 1.00 0.00 C ATOM 858 CG LEU A 85 8.704 -12.483 -22.716 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.516 -13.028 -23.894 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.897 -11.268 -23.175 1.00 0.00 C ATOM 0 H LEU A 85 7.355 -15.566 -20.060 1.00 0.00 H new ATOM 0 HA LEU A 85 9.225 -15.119 -22.269 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.173 -13.978 -23.034 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.039 -13.140 -21.501 1.00 0.00 H new ATOM 0 HG LEU A 85 9.380 -12.189 -21.913 1.00 0.00 H new ATOM 0 HD11 LEU A 85 10.194 -12.256 -24.257 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.093 -13.894 -23.569 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.840 -13.323 -24.696 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.576 -10.496 -23.538 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.220 -11.563 -23.977 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.319 -10.878 -22.338 1.00 0.00 H new ATOM 872 N PRO A 86 10.536 -14.642 -20.127 1.00 0.00 N ATOM 873 CA PRO A 86 11.430 -14.169 -19.028 1.00 0.00 C ATOM 874 C PRO A 86 11.603 -12.651 -19.018 1.00 0.00 C ATOM 875 O PRO A 86 11.516 -12.018 -17.967 1.00 0.00 O ATOM 876 CB PRO A 86 12.756 -14.872 -19.322 1.00 0.00 C ATOM 877 CG PRO A 86 12.381 -16.116 -20.058 1.00 0.00 C ATOM 878 CD PRO A 86 11.116 -15.785 -20.851 1.00 0.00 C ATOM 0 HA PRO A 86 11.022 -14.401 -18.044 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.412 -14.241 -19.922 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.292 -15.105 -18.402 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.185 -16.431 -20.723 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.201 -16.938 -19.365 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.348 -15.528 -21.885 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.429 -16.631 -20.879 1.00 0.00 H new ATOM 886 N ASP A 87 11.886 -12.077 -20.183 1.00 0.00 N ATOM 887 CA ASP A 87 12.113 -10.639 -20.292 1.00 0.00 C ATOM 888 C ASP A 87 10.936 -9.819 -19.764 1.00 0.00 C ATOM 889 O ASP A 87 11.109 -8.668 -19.373 1.00 0.00 O ATOM 890 CB ASP A 87 12.370 -10.282 -21.757 1.00 0.00 C ATOM 891 CG ASP A 87 13.656 -10.950 -22.233 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.504 -11.218 -21.398 1.00 0.00 O ATOM 893 OD2 ASP A 87 13.771 -11.189 -23.423 1.00 0.00 O ATOM 0 H ASP A 87 11.964 -12.584 -21.064 1.00 0.00 H new ATOM 0 HA ASP A 87 12.979 -10.393 -19.677 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.531 -10.607 -22.373 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.448 -9.201 -21.869 1.00 0.00 H new ATOM 898 N ALA A 88 9.742 -10.392 -19.757 1.00 0.00 N ATOM 899 CA ALA A 88 8.578 -9.658 -19.267 1.00 0.00 C ATOM 900 C ALA A 88 8.825 -9.147 -17.847 1.00 0.00 C ATOM 901 O ALA A 88 8.335 -8.083 -17.466 1.00 0.00 O ATOM 902 CB ALA A 88 7.342 -10.560 -19.277 1.00 0.00 C ATOM 0 H ALA A 88 9.552 -11.342 -20.077 1.00 0.00 H new ATOM 0 HA ALA A 88 8.409 -8.807 -19.926 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.481 -10.002 -18.910 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.147 -10.899 -20.294 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.516 -11.423 -18.634 1.00 0.00 H new ATOM 908 N PHE A 89 9.596 -9.911 -17.075 1.00 0.00 N ATOM 909 CA PHE A 89 9.919 -9.542 -15.701 1.00 0.00 C ATOM 910 C PHE A 89 10.780 -8.283 -15.621 1.00 0.00 C ATOM 911 O PHE A 89 10.532 -7.403 -14.797 1.00 0.00 O ATOM 912 CB PHE A 89 10.666 -10.693 -15.031 1.00 0.00 C ATOM 913 CG PHE A 89 11.311 -10.188 -13.767 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.525 -9.886 -12.651 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.697 -10.010 -13.720 1.00 0.00 C ATOM 916 CE1 PHE A 89 11.128 -9.408 -11.483 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.299 -9.531 -12.553 1.00 0.00 C ATOM 918 CZ PHE A 89 12.516 -9.229 -11.434 1.00 0.00 C ATOM 0 H PHE A 89 10.009 -10.792 -17.381 1.00 0.00 H new ATOM 0 HA PHE A 89 8.978 -9.336 -15.191 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.978 -11.507 -14.803 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.422 -11.094 -15.705 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.454 -10.022 -12.691 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.302 -10.242 -14.584 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.523 -9.177 -10.619 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.370 -9.394 -12.515 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.982 -8.858 -10.533 1.00 0.00 H new ATOM 928 N LYS A 90 11.799 -8.216 -16.466 1.00 0.00 N ATOM 929 CA LYS A 90 12.697 -7.068 -16.456 1.00 0.00 C ATOM 930 C LYS A 90 11.942 -5.809 -16.859 1.00 0.00 C ATOM 931 O LYS A 90 12.176 -4.732 -16.309 1.00 0.00 O ATOM 932 CB LYS A 90 13.875 -7.295 -17.407 1.00 0.00 C ATOM 933 CG LYS A 90 13.537 -6.751 -18.795 1.00 0.00 C ATOM 934 CD LYS A 90 14.603 -7.205 -19.794 1.00 0.00 C ATOM 935 CE LYS A 90 14.500 -6.371 -21.074 1.00 0.00 C ATOM 936 NZ LYS A 90 13.135 -5.784 -21.186 1.00 0.00 N ATOM 0 H LYS A 90 12.024 -8.931 -17.158 1.00 0.00 H new ATOM 0 HA LYS A 90 13.085 -6.945 -15.445 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.766 -6.800 -17.020 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.103 -8.359 -17.470 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.555 -7.107 -19.108 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.488 -5.662 -18.769 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.595 -7.096 -19.356 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.471 -8.262 -20.026 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.247 -5.577 -21.063 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.710 -6.995 -21.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.038 -5.304 -22.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.425 -6.540 -21.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.988 -5.097 -20.419 1.00 0.00 H new ATOM 950 N ILE A 91 11.035 -5.951 -17.821 1.00 0.00 N ATOM 951 CA ILE A 91 10.250 -4.817 -18.289 1.00 0.00 C ATOM 952 C ILE A 91 9.442 -4.201 -17.154 1.00 0.00 C ATOM 953 O ILE A 91 9.445 -2.984 -16.968 1.00 0.00 O ATOM 954 CB ILE A 91 9.297 -5.257 -19.402 1.00 0.00 C ATOM 955 CG1 ILE A 91 10.098 -5.758 -20.605 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.432 -4.069 -19.822 1.00 0.00 C ATOM 957 CD1 ILE A 91 9.144 -6.379 -21.629 1.00 0.00 C ATOM 0 H ILE A 91 10.827 -6.834 -18.288 1.00 0.00 H new ATOM 0 HA ILE A 91 10.944 -4.069 -18.672 1.00 0.00 H new ATOM 0 HB ILE A 91 8.662 -6.064 -19.037 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.649 -4.934 -21.058 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.834 -6.495 -20.284 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.751 -4.377 -20.615 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.856 -3.717 -18.966 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.071 -3.264 -20.185 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.714 -6.736 -22.487 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.613 -7.214 -21.172 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.425 -5.629 -21.958 1.00 0.00 H new ATOM 969 N MET A 92 8.740 -5.040 -16.400 1.00 0.00 N ATOM 970 CA MET A 92 7.924 -4.550 -15.302 1.00 0.00 C ATOM 971 C MET A 92 8.793 -4.046 -14.163 1.00 0.00 C ATOM 972 O MET A 92 8.451 -3.069 -13.499 1.00 0.00 O ATOM 973 CB MET A 92 7.012 -5.664 -14.800 1.00 0.00 C ATOM 974 CG MET A 92 6.090 -6.111 -15.934 1.00 0.00 C ATOM 975 SD MET A 92 5.163 -4.688 -16.561 1.00 0.00 S ATOM 976 CE MET A 92 4.288 -4.291 -15.028 1.00 0.00 C ATOM 0 H MET A 92 8.721 -6.052 -16.529 1.00 0.00 H new ATOM 0 HA MET A 92 7.320 -3.720 -15.667 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.608 -6.506 -14.447 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.422 -5.313 -13.953 1.00 0.00 H new ATOM 0 HG2 MET A 92 6.676 -6.559 -16.737 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.402 -6.877 -15.576 1.00 0.00 H new ATOM 0 HE1 MET A 92 3.430 -3.657 -15.252 1.00 0.00 H new ATOM 0 HE2 MET A 92 3.945 -5.212 -14.556 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.961 -3.765 -14.351 1.00 0.00 H new ATOM 986 N SER A 93 9.916 -4.713 -13.935 1.00 0.00 N ATOM 987 CA SER A 93 10.806 -4.308 -12.864 1.00 0.00 C ATOM 988 C SER A 93 11.257 -2.865 -13.062 1.00 0.00 C ATOM 989 O SER A 93 11.229 -2.072 -12.132 1.00 0.00 O ATOM 990 CB SER A 93 12.030 -5.222 -12.827 1.00 0.00 C ATOM 991 OG SER A 93 11.611 -6.580 -12.798 1.00 0.00 O ATOM 0 H SER A 93 10.226 -5.524 -14.470 1.00 0.00 H new ATOM 0 HA SER A 93 10.266 -4.385 -11.920 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.657 -5.043 -13.701 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.636 -4.999 -11.949 1.00 0.00 H new ATOM 0 HG SER A 93 11.549 -6.923 -13.714 1.00 0.00 H new ATOM 997 N GLN A 94 11.644 -2.530 -14.283 1.00 0.00 N ATOM 998 CA GLN A 94 12.080 -1.172 -14.591 1.00 0.00 C ATOM 999 C GLN A 94 10.927 -0.171 -14.487 1.00 0.00 C ATOM 1000 O GLN A 94 11.111 0.966 -14.055 1.00 0.00 O ATOM 1001 CB GLN A 94 12.670 -1.127 -15.999 1.00 0.00 C ATOM 1002 CG GLN A 94 13.975 -1.923 -16.027 1.00 0.00 C ATOM 1003 CD GLN A 94 14.582 -1.886 -17.425 1.00 0.00 C ATOM 1004 OE1 GLN A 94 14.076 -1.188 -18.305 1.00 0.00 O ATOM 1005 NE2 GLN A 94 15.641 -2.603 -17.684 1.00 0.00 N ATOM 0 H GLN A 94 11.666 -3.173 -15.074 1.00 0.00 H new ATOM 0 HA GLN A 94 12.838 -0.891 -13.860 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.962 -1.543 -16.716 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.854 -0.094 -16.295 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.679 -1.508 -15.306 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.787 -2.955 -15.731 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.058 -3.180 -16.953 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.052 -2.587 -18.617 1.00 0.00 H new ATOM 1014 N ARG A 95 9.750 -0.603 -14.924 1.00 0.00 N ATOM 1015 CA ARG A 95 8.567 0.256 -14.922 1.00 0.00 C ATOM 1016 C ARG A 95 7.942 0.452 -13.537 1.00 0.00 C ATOM 1017 O ARG A 95 7.374 1.510 -13.267 1.00 0.00 O ATOM 1018 CB ARG A 95 7.507 -0.323 -15.862 1.00 0.00 C ATOM 1019 CG ARG A 95 7.987 -0.211 -17.310 1.00 0.00 C ATOM 1020 CD ARG A 95 6.906 -0.748 -18.252 1.00 0.00 C ATOM 1021 NE ARG A 95 7.390 -0.728 -19.628 1.00 0.00 N ATOM 1022 CZ ARG A 95 7.072 -1.689 -20.490 1.00 0.00 C ATOM 1023 NH1 ARG A 95 6.262 -2.648 -20.135 1.00 0.00 N ATOM 1024 NH2 ARG A 95 7.561 -1.665 -21.700 1.00 0.00 N ATOM 0 H ARG A 95 9.587 -1.543 -15.285 1.00 0.00 H new ATOM 0 HA ARG A 95 8.907 1.235 -15.259 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.316 -1.366 -15.612 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.566 0.212 -15.738 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.210 0.829 -17.551 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.911 -0.774 -17.442 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.636 -1.765 -17.967 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.004 -0.143 -18.166 1.00 0.00 H new ATOM 0 HE ARG A 95 7.986 0.041 -19.936 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.870 -2.662 -19.193 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.020 -3.383 -20.799 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.186 -0.910 -21.983 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.318 -2.401 -22.363 1.00 0.00 H new ATOM 1038 N CYS A 96 7.989 -0.563 -12.679 1.00 0.00 N ATOM 1039 CA CYS A 96 7.349 -0.437 -11.366 1.00 0.00 C ATOM 1040 C CYS A 96 8.336 -0.361 -10.200 1.00 0.00 C ATOM 1041 O CYS A 96 7.969 0.096 -9.117 1.00 0.00 O ATOM 1042 CB CYS A 96 6.402 -1.615 -11.140 1.00 0.00 C ATOM 1043 SG CYS A 96 5.222 -1.719 -12.511 1.00 0.00 S ATOM 0 H CYS A 96 8.447 -1.457 -12.857 1.00 0.00 H new ATOM 0 HA CYS A 96 6.807 0.509 -11.383 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.970 -2.542 -11.065 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.869 -1.491 -10.197 1.00 0.00 H new ATOM 1048 N ASN A 97 9.568 -0.816 -10.387 1.00 0.00 N ATOM 1049 CA ASN A 97 10.524 -0.783 -9.288 1.00 0.00 C ATOM 1050 C ASN A 97 10.711 0.626 -8.751 1.00 0.00 C ATOM 1051 O ASN A 97 10.840 1.586 -9.512 1.00 0.00 O ATOM 1052 CB ASN A 97 11.889 -1.310 -9.717 1.00 0.00 C ATOM 1053 CG ASN A 97 11.865 -2.829 -9.823 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.854 -3.459 -9.512 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.935 -3.460 -10.222 1.00 0.00 N ATOM 0 H ASN A 97 9.922 -1.202 -11.262 1.00 0.00 H new ATOM 0 HA ASN A 97 10.110 -1.422 -8.508 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.167 -0.877 -10.678 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.647 -1.002 -8.997 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.936 -4.479 -10.277 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.771 -2.935 -10.479 1.00 0.00 H new ATOM 1062 N ASN A 98 10.765 0.721 -7.431 1.00 0.00 N ATOM 1063 CA ASN A 98 10.984 1.992 -6.760 1.00 0.00 C ATOM 1064 C ASN A 98 9.859 2.993 -7.001 1.00 0.00 C ATOM 1065 O ASN A 98 10.003 4.173 -6.679 1.00 0.00 O ATOM 1066 CB ASN A 98 12.319 2.577 -7.214 1.00 0.00 C ATOM 1067 CG ASN A 98 13.448 1.760 -6.605 1.00 0.00 C ATOM 1068 OD1 ASN A 98 13.205 0.757 -5.933 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.679 2.198 -6.818 1.00 0.00 N ATOM 0 H ASN A 98 10.659 -0.073 -6.800 1.00 0.00 H new ATOM 0 HA ASN A 98 11.000 1.799 -5.687 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.387 2.561 -8.302 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.399 3.619 -6.905 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.832 3.034 -7.382 1.00 0.00 H new ATOM 1075 N ARG A 99 8.737 2.535 -7.541 1.00 0.00 N ATOM 1076 CA ARG A 99 7.615 3.435 -7.775 1.00 0.00 C ATOM 1077 C ARG A 99 6.425 3.026 -6.920 1.00 0.00 C ATOM 1078 O ARG A 99 6.218 1.844 -6.646 1.00 0.00 O ATOM 1079 CB ARG A 99 7.212 3.434 -9.251 1.00 0.00 C ATOM 1080 CG ARG A 99 8.324 4.078 -10.082 1.00 0.00 C ATOM 1081 CD ARG A 99 7.885 4.171 -11.547 1.00 0.00 C ATOM 1082 NE ARG A 99 8.995 4.611 -12.389 1.00 0.00 N ATOM 1083 CZ ARG A 99 8.839 4.779 -13.701 1.00 0.00 C ATOM 1084 NH1 ARG A 99 7.692 4.512 -14.262 1.00 0.00 N ATOM 1085 NH2 ARG A 99 9.836 5.205 -14.430 1.00 0.00 N ATOM 0 H ARG A 99 8.580 1.567 -7.820 1.00 0.00 H new ATOM 0 HA ARG A 99 7.928 4.442 -7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.034 2.413 -9.590 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.279 3.982 -9.385 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.550 5.072 -9.696 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.238 3.489 -10.003 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.526 3.200 -11.887 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.053 4.869 -11.639 1.00 0.00 H new ATOM 0 HE ARG A 99 9.905 4.793 -11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.914 4.174 -13.696 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.573 4.641 -15.267 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.735 5.409 -13.994 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.715 5.333 -15.435 1.00 0.00 H new ATOM 1099 N THR A 100 5.651 4.014 -6.501 1.00 0.00 N ATOM 1100 CA THR A 100 4.480 3.761 -5.675 1.00 0.00 C ATOM 1101 C THR A 100 3.398 3.068 -6.502 1.00 0.00 C ATOM 1102 O THR A 100 2.674 2.205 -6.006 1.00 0.00 O ATOM 1103 CB THR A 100 3.963 5.092 -5.127 1.00 0.00 C ATOM 1104 OG1 THR A 100 5.016 5.758 -4.444 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.802 4.849 -4.163 1.00 0.00 C ATOM 0 H THR A 100 5.811 4.998 -6.718 1.00 0.00 H new ATOM 0 HA THR A 100 4.747 3.108 -4.845 1.00 0.00 H new ATOM 0 HB THR A 100 3.612 5.708 -5.955 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.689 6.612 -4.093 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.442 5.804 -3.779 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.993 4.341 -4.688 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.142 4.229 -3.333 1.00 0.00 H new ATOM 1113 N GLN A 101 3.311 3.450 -7.771 1.00 0.00 N ATOM 1114 CA GLN A 101 2.331 2.858 -8.677 1.00 0.00 C ATOM 1115 C GLN A 101 2.854 2.865 -10.108 1.00 0.00 C ATOM 1116 O GLN A 101 3.734 3.654 -10.452 1.00 0.00 O ATOM 1117 CB GLN A 101 1.004 3.620 -8.613 1.00 0.00 C ATOM 1118 CG GLN A 101 1.204 5.057 -9.099 1.00 0.00 C ATOM 1119 CD GLN A 101 0.181 5.384 -10.182 1.00 0.00 C ATOM 1120 OE1 GLN A 101 -0.550 6.369 -10.070 1.00 0.00 O ATOM 1121 NE2 GLN A 101 0.082 4.609 -11.227 1.00 0.00 N ATOM 0 H GLN A 101 3.904 4.163 -8.195 1.00 0.00 H new ATOM 0 HA GLN A 101 2.163 1.828 -8.363 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.257 3.119 -9.229 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.625 3.622 -7.591 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.098 5.751 -8.265 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.214 5.181 -9.491 1.00 0.00 H new ATOM 0 HE21 GLN A 101 0.689 3.794 -11.317 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.602 4.818 -11.954 1.00 0.00 H new ATOM 1130 N CYS A 102 2.309 1.983 -10.937 1.00 0.00 N ATOM 1131 CA CYS A 102 2.742 1.909 -12.327 1.00 0.00 C ATOM 1132 C CYS A 102 1.646 1.356 -13.234 1.00 0.00 C ATOM 1133 O CYS A 102 0.918 0.432 -12.868 1.00 0.00 O ATOM 1134 CB CYS A 102 3.995 1.039 -12.439 1.00 0.00 C ATOM 1135 SG CYS A 102 3.634 -0.642 -11.877 1.00 0.00 S ATOM 0 H CYS A 102 1.579 1.320 -10.678 1.00 0.00 H new ATOM 0 HA CYS A 102 2.968 2.923 -12.657 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.343 1.019 -13.472 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.799 1.467 -11.840 1.00 0.00 H new ATOM 1140 N VAL A 103 1.555 1.933 -14.429 1.00 0.00 N ATOM 1141 CA VAL A 103 0.572 1.512 -15.420 1.00 0.00 C ATOM 1142 C VAL A 103 1.293 1.016 -16.670 1.00 0.00 C ATOM 1143 O VAL A 103 2.132 1.723 -17.226 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.322 2.699 -15.791 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.483 2.228 -16.668 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -0.871 3.348 -14.519 1.00 0.00 C ATOM 0 H VAL A 103 2.155 2.699 -14.735 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.039 0.710 -15.006 1.00 0.00 H new ATOM 0 HB VAL A 103 0.269 3.428 -16.345 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.113 3.079 -16.926 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.091 1.777 -17.580 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.074 1.491 -16.124 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.507 4.192 -14.786 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.455 2.617 -13.960 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.043 3.698 -13.903 1.00 0.00 H new ATOM 1156 N VAL A 104 0.973 -0.195 -17.109 1.00 0.00 N ATOM 1157 CA VAL A 104 1.616 -0.751 -18.295 1.00 0.00 C ATOM 1158 C VAL A 104 0.610 -1.488 -19.164 1.00 0.00 C ATOM 1159 O VAL A 104 -0.274 -2.176 -18.655 1.00 0.00 O ATOM 1160 CB VAL A 104 2.723 -1.720 -17.890 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.503 -2.140 -19.135 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.666 -1.039 -16.895 1.00 0.00 C ATOM 0 H VAL A 104 0.283 -0.804 -16.670 1.00 0.00 H new ATOM 0 HA VAL A 104 2.039 0.078 -18.863 1.00 0.00 H new ATOM 0 HB VAL A 104 2.285 -2.600 -17.420 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.295 -2.833 -18.851 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.829 -2.628 -19.839 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.942 -1.259 -19.604 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.455 -1.734 -16.608 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.109 -0.158 -17.359 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.106 -0.740 -16.009 1.00 0.00 H new ATOM 1172 N VAL A 105 0.751 -1.359 -20.476 1.00 0.00 N ATOM 1173 CA VAL A 105 -0.158 -2.049 -21.370 1.00 0.00 C ATOM 1174 C VAL A 105 0.155 -3.537 -21.364 1.00 0.00 C ATOM 1175 O VAL A 105 1.228 -3.956 -21.799 1.00 0.00 O ATOM 1176 CB VAL A 105 -0.046 -1.506 -22.795 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -0.980 -2.299 -23.709 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.455 -0.032 -22.818 1.00 0.00 C ATOM 0 H VAL A 105 1.469 -0.797 -20.933 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.177 -1.883 -21.020 1.00 0.00 H new ATOM 0 HB VAL A 105 0.983 -1.603 -23.140 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.904 -1.916 -24.727 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.696 -3.351 -23.695 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.007 -2.196 -23.358 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.374 0.352 -23.835 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.485 0.065 -22.474 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.202 0.538 -22.161 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.776 -4.336 -20.854 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.568 -5.774 -20.783 1.00 0.00 C ATOM 1190 C ALA A 106 -0.549 -6.390 -22.177 1.00 0.00 C ATOM 1191 O ALA A 106 -1.019 -7.511 -22.377 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.668 -6.426 -19.944 1.00 0.00 C ATOM 0 H ALA A 106 -1.672 -4.015 -20.488 1.00 0.00 H new ATOM 0 HA ALA A 106 0.398 -5.954 -20.311 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.501 -7.502 -19.898 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.650 -6.013 -18.935 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.638 -6.228 -20.399 1.00 0.00 H new ATOM 1198 N GLY A 107 -0.014 -5.650 -23.142 1.00 0.00 N ATOM 1199 CA GLY A 107 0.057 -6.141 -24.511 1.00 0.00 C ATOM 1200 C GLY A 107 0.730 -5.126 -25.432 1.00 0.00 C ATOM 1201 O GLY A 107 1.867 -4.715 -25.196 1.00 0.00 O ATOM 0 H GLY A 107 0.373 -4.717 -23.003 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.611 -7.079 -24.534 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.948 -6.355 -24.875 1.00 0.00 H new ATOM 1205 N SER A 108 0.020 -4.732 -26.484 1.00 0.00 N ATOM 1206 CA SER A 108 0.553 -3.773 -27.447 1.00 0.00 C ATOM 1207 C SER A 108 2.068 -3.933 -27.591 1.00 0.00 C ATOM 1208 O SER A 108 2.632 -4.968 -27.237 1.00 0.00 O ATOM 1209 CB SER A 108 0.218 -2.348 -27.006 1.00 0.00 C ATOM 1210 OG SER A 108 0.380 -1.463 -28.107 1.00 0.00 O ATOM 0 H SER A 108 -0.923 -5.060 -26.692 1.00 0.00 H new ATOM 0 HA SER A 108 0.093 -3.967 -28.416 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.806 -2.301 -26.635 1.00 0.00 H new ATOM 0 HB3 SER A 108 0.868 -2.047 -26.185 1.00 0.00 H new ATOM 0 HG SER A 108 0.164 -0.549 -27.827 1.00 0.00 H new ATOM 1216 N ASP A 109 2.718 -2.907 -28.126 1.00 0.00 N ATOM 1217 CA ASP A 109 4.164 -2.949 -28.327 1.00 0.00 C ATOM 1218 C ASP A 109 4.907 -2.918 -26.997 1.00 0.00 C ATOM 1219 O ASP A 109 6.137 -2.868 -26.965 1.00 0.00 O ATOM 1220 CB ASP A 109 4.616 -1.784 -29.207 1.00 0.00 C ATOM 1221 CG ASP A 109 4.154 -2.019 -30.641 1.00 0.00 C ATOM 1222 OD1 ASP A 109 3.603 -3.078 -30.897 1.00 0.00 O ATOM 1223 OD2 ASP A 109 4.364 -1.143 -31.462 1.00 0.00 O ATOM 0 H ASP A 109 2.272 -2.040 -28.427 1.00 0.00 H new ATOM 0 HA ASP A 109 4.403 -3.886 -28.829 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.203 -0.848 -28.830 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.701 -1.690 -29.174 1.00 0.00 H new ATOM 1228 N ALA A 110 4.158 -2.953 -25.901 1.00 0.00 N ATOM 1229 CA ALA A 110 4.774 -2.933 -24.584 1.00 0.00 C ATOM 1230 C ALA A 110 5.245 -4.331 -24.218 1.00 0.00 C ATOM 1231 O ALA A 110 5.992 -4.515 -23.256 1.00 0.00 O ATOM 1232 CB ALA A 110 3.763 -2.453 -23.541 1.00 0.00 C ATOM 0 H ALA A 110 3.139 -2.995 -25.898 1.00 0.00 H new ATOM 0 HA ALA A 110 5.625 -2.252 -24.603 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.233 -2.441 -22.557 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.428 -1.448 -23.795 1.00 0.00 H new ATOM 0 HB3 ALA A 110 2.907 -3.128 -23.526 1.00 0.00 H new ATOM 1238 N PHE A 111 4.810 -5.317 -24.998 1.00 0.00 N ATOM 1239 CA PHE A 111 5.202 -6.694 -24.744 1.00 0.00 C ATOM 1240 C PHE A 111 5.421 -7.466 -26.046 1.00 0.00 C ATOM 1241 O PHE A 111 4.554 -7.473 -26.920 1.00 0.00 O ATOM 1242 CB PHE A 111 4.122 -7.405 -23.938 1.00 0.00 C ATOM 1243 CG PHE A 111 4.264 -7.029 -22.488 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.230 -7.659 -21.697 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.436 -6.047 -21.938 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.368 -7.306 -20.351 1.00 0.00 C ATOM 1247 CE2 PHE A 111 3.575 -5.692 -20.593 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.541 -6.321 -19.799 1.00 0.00 C ATOM 0 H PHE A 111 4.194 -5.188 -25.801 1.00 0.00 H new ATOM 0 HA PHE A 111 6.138 -6.667 -24.187 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.134 -7.126 -24.304 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.213 -8.485 -24.057 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.869 -8.417 -22.125 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.690 -5.563 -22.551 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.112 -7.793 -19.738 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.937 -4.932 -20.166 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.648 -6.046 -18.760 1.00 0.00 H new ATOM 1258 N PRO A 112 6.538 -8.138 -26.176 1.00 0.00 N ATOM 1259 CA PRO A 112 6.837 -8.957 -27.384 1.00 0.00 C ATOM 1260 C PRO A 112 5.696 -9.920 -27.694 1.00 0.00 C ATOM 1261 O PRO A 112 4.533 -9.635 -27.412 1.00 0.00 O ATOM 1262 CB PRO A 112 8.097 -9.742 -27.011 1.00 0.00 C ATOM 1263 CG PRO A 112 8.715 -9.025 -25.856 1.00 0.00 C ATOM 1264 CD PRO A 112 7.632 -8.180 -25.196 1.00 0.00 C ATOM 0 HA PRO A 112 6.968 -8.337 -28.271 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.849 -10.769 -26.743 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.788 -9.790 -27.853 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.131 -9.737 -25.143 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.538 -8.395 -26.194 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.304 -8.622 -24.256 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.996 -7.179 -24.967 1.00 0.00 H new ATOM 1272 N ASP A 113 6.039 -11.065 -28.273 1.00 0.00 N ATOM 1273 CA ASP A 113 5.039 -12.066 -28.614 1.00 0.00 C ATOM 1274 C ASP A 113 5.627 -13.461 -28.420 1.00 0.00 C ATOM 1275 O ASP A 113 6.219 -14.032 -29.337 1.00 0.00 O ATOM 1276 CB ASP A 113 4.602 -11.885 -30.067 1.00 0.00 C ATOM 1277 CG ASP A 113 3.235 -12.523 -30.285 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.247 -11.854 -30.036 1.00 0.00 O ATOM 1279 OD2 ASP A 113 3.197 -13.669 -30.700 1.00 0.00 O ATOM 0 H ASP A 113 6.996 -11.321 -28.514 1.00 0.00 H new ATOM 0 HA ASP A 113 4.172 -11.947 -27.964 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.560 -10.824 -30.313 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.335 -12.339 -30.735 1.00 0.00 H new ATOM 1284 N PRO A 114 5.501 -13.996 -27.235 1.00 0.00 N ATOM 1285 CA PRO A 114 6.052 -15.335 -26.880 1.00 0.00 C ATOM 1286 C PRO A 114 5.123 -16.489 -27.255 1.00 0.00 C ATOM 1287 O PRO A 114 5.482 -17.656 -27.099 1.00 0.00 O ATOM 1288 CB PRO A 114 6.201 -15.229 -25.365 1.00 0.00 C ATOM 1289 CG PRO A 114 5.062 -14.361 -24.938 1.00 0.00 C ATOM 1290 CD PRO A 114 4.808 -13.381 -26.089 1.00 0.00 C ATOM 0 HA PRO A 114 6.975 -15.558 -27.414 1.00 0.00 H new ATOM 0 HB2 PRO A 114 6.152 -16.210 -24.892 1.00 0.00 H new ATOM 0 HB3 PRO A 114 7.160 -14.790 -25.090 1.00 0.00 H new ATOM 0 HG2 PRO A 114 4.174 -14.959 -24.734 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.304 -13.827 -24.019 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.742 -13.261 -26.284 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.205 -12.391 -25.866 1.00 0.00 H new ATOM 1298 N CYS A 115 3.931 -16.164 -27.740 1.00 0.00 N ATOM 1299 CA CYS A 115 2.971 -17.196 -28.118 1.00 0.00 C ATOM 1300 C CYS A 115 1.807 -16.595 -28.904 1.00 0.00 C ATOM 1301 O CYS A 115 0.701 -16.454 -28.382 1.00 0.00 O ATOM 1302 CB CYS A 115 2.436 -17.875 -26.860 1.00 0.00 C ATOM 1303 SG CYS A 115 2.158 -16.622 -25.588 1.00 0.00 S ATOM 0 H CYS A 115 3.608 -15.207 -27.880 1.00 0.00 H new ATOM 0 HA CYS A 115 3.477 -17.925 -28.751 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.506 -18.399 -27.082 1.00 0.00 H new ATOM 0 HB3 CYS A 115 3.146 -18.622 -26.504 1.00 0.00 H new ATOM 1308 N PRO A 116 2.040 -16.236 -30.138 1.00 0.00 N ATOM 1309 CA PRO A 116 0.994 -15.630 -31.010 1.00 0.00 C ATOM 1310 C PRO A 116 -0.167 -16.581 -31.286 1.00 0.00 C ATOM 1311 O PRO A 116 -0.008 -17.801 -31.251 1.00 0.00 O ATOM 1312 CB PRO A 116 1.721 -15.272 -32.308 1.00 0.00 C ATOM 1313 CG PRO A 116 3.050 -15.958 -32.272 1.00 0.00 C ATOM 1314 CD PRO A 116 3.330 -16.376 -30.828 1.00 0.00 C ATOM 0 HA PRO A 116 0.541 -14.764 -30.527 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.144 -15.595 -33.174 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.847 -14.193 -32.394 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.046 -16.830 -32.927 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.833 -15.291 -32.634 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.696 -17.401 -30.777 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.092 -15.743 -30.374 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.333 -16.008 -31.572 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.519 -16.802 -31.869 1.00 0.00 C ATOM 1324 C GLY A 117 -3.191 -17.290 -30.593 1.00 0.00 C ATOM 1325 O GLY A 117 -4.162 -18.045 -30.643 1.00 0.00 O ATOM 0 H GLY A 117 -1.481 -14.999 -31.604 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.223 -16.205 -32.448 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.242 -17.656 -32.487 1.00 0.00 H new ATOM 1329 N THR A 118 -2.675 -16.855 -29.450 1.00 0.00 N ATOM 1330 CA THR A 118 -3.237 -17.253 -28.167 1.00 0.00 C ATOM 1331 C THR A 118 -3.542 -16.019 -27.329 1.00 0.00 C ATOM 1332 O THR A 118 -2.826 -15.021 -27.411 1.00 0.00 O ATOM 1333 CB THR A 118 -2.239 -18.141 -27.421 1.00 0.00 C ATOM 1334 OG1 THR A 118 -1.837 -19.211 -28.264 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.890 -18.700 -26.157 1.00 0.00 C ATOM 0 H THR A 118 -1.872 -16.229 -29.386 1.00 0.00 H new ATOM 0 HA THR A 118 -4.160 -17.807 -28.340 1.00 0.00 H new ATOM 0 HB THR A 118 -1.367 -17.550 -27.143 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.196 -19.780 -27.788 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.176 -19.332 -25.629 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.194 -17.877 -25.510 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.765 -19.290 -26.429 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.579 -16.088 -26.499 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.898 -14.955 -25.647 1.00 0.00 C ATOM 1345 C TYR A 119 -4.031 -15.032 -24.404 1.00 0.00 C ATOM 1346 O TYR A 119 -4.108 -15.987 -23.633 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.370 -14.950 -25.252 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.683 -13.625 -24.615 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.998 -12.524 -25.418 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -6.641 -13.492 -23.225 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -7.274 -11.288 -24.829 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -6.918 -12.257 -22.634 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.235 -11.152 -23.437 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.506 -9.932 -22.855 1.00 0.00 O ATOM 0 H TYR A 119 -5.196 -16.894 -26.401 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.703 -14.033 -26.195 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.999 -15.108 -26.128 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.580 -15.764 -24.558 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -7.028 -12.629 -26.492 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.395 -14.343 -22.608 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -7.518 -10.437 -25.448 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -6.888 -12.153 -21.559 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.711 -9.361 -22.906 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.153 -14.060 -24.266 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.200 -14.055 -23.172 1.00 0.00 C ATOM 1366 C LYS A 120 -2.686 -13.321 -21.922 1.00 0.00 C ATOM 1367 O LYS A 120 -3.861 -12.987 -21.766 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.911 -13.416 -23.678 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.497 -14.122 -24.967 1.00 0.00 C ATOM 1370 CD LYS A 120 0.762 -13.470 -25.534 1.00 0.00 C ATOM 1371 CE LYS A 120 0.984 -13.962 -26.965 1.00 0.00 C ATOM 1372 NZ LYS A 120 1.000 -12.794 -27.891 1.00 0.00 N ATOM 0 H LYS A 120 -3.078 -13.262 -24.897 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.050 -15.089 -22.862 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.061 -12.352 -23.860 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.125 -13.503 -22.928 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.313 -15.178 -24.771 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.305 -14.069 -25.697 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.661 -12.385 -25.522 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.624 -13.717 -24.914 1.00 0.00 H new ATOM 0 HE2 LYS A 120 1.926 -14.507 -27.032 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.193 -14.656 -27.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 1.268 -13.111 -28.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 0.054 -12.363 -27.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 1.689 -12.092 -27.553 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.711 -13.031 -21.079 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.944 -12.281 -19.852 1.00 0.00 C ATOM 1388 C TYR A 121 -0.642 -11.905 -19.175 1.00 0.00 C ATOM 1389 O TYR A 121 0.435 -12.347 -19.577 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.861 -13.045 -18.884 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.219 -14.325 -18.400 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.108 -14.293 -17.542 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.765 -15.551 -18.791 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.543 -15.493 -17.090 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.205 -16.746 -18.336 1.00 0.00 C ATOM 1396 CZ TYR A 121 -1.091 -16.719 -17.487 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.534 -17.901 -17.038 1.00 0.00 O ATOM 0 H TYR A 121 -0.739 -13.306 -21.222 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.454 -11.360 -20.135 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.098 -12.411 -18.030 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.803 -13.276 -19.381 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.690 -13.347 -17.231 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.623 -15.574 -19.447 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.316 -15.472 -16.435 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.631 -17.691 -18.639 1.00 0.00 H new ATOM 0 HH TYR A 121 0.373 -17.731 -16.707 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.749 -11.094 -18.132 1.00 0.00 N ATOM 1408 CA LEU A 122 0.424 -10.671 -17.392 1.00 0.00 C ATOM 1409 C LEU A 122 0.183 -10.800 -15.898 1.00 0.00 C ATOM 1410 O LEU A 122 -0.793 -10.271 -15.373 1.00 0.00 O ATOM 1411 CB LEU A 122 0.765 -9.219 -17.724 1.00 0.00 C ATOM 1412 CG LEU A 122 2.046 -8.825 -16.988 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.224 -9.625 -17.549 1.00 0.00 C ATOM 1414 CD2 LEU A 122 2.310 -7.332 -17.186 1.00 0.00 C ATOM 0 H LEU A 122 -1.631 -10.720 -17.783 1.00 0.00 H new ATOM 0 HA LEU A 122 1.257 -11.313 -17.679 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.898 -9.100 -18.799 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.055 -8.563 -17.430 1.00 0.00 H new ATOM 0 HG LEU A 122 1.932 -9.038 -15.925 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.137 -9.344 -17.024 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.039 -10.690 -17.411 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.336 -9.411 -18.612 1.00 0.00 H new ATOM 0 HD21 LEU A 122 3.223 -7.051 -16.661 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.423 -7.120 -18.249 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.472 -6.759 -16.789 1.00 0.00 H new ATOM 1426 N GLU A 123 1.086 -11.497 -15.223 1.00 0.00 N ATOM 1427 CA GLU A 123 0.982 -11.690 -13.783 1.00 0.00 C ATOM 1428 C GLU A 123 2.231 -11.137 -13.111 1.00 0.00 C ATOM 1429 O GLU A 123 3.345 -11.476 -13.502 1.00 0.00 O ATOM 1430 CB GLU A 123 0.842 -13.183 -13.475 1.00 0.00 C ATOM 1431 CG GLU A 123 0.620 -13.382 -11.977 1.00 0.00 C ATOM 1432 CD GLU A 123 0.520 -14.871 -11.663 1.00 0.00 C ATOM 1433 OE1 GLU A 123 0.567 -15.657 -12.595 1.00 0.00 O ATOM 1434 OE2 GLU A 123 0.396 -15.203 -10.496 1.00 0.00 O ATOM 0 H GLU A 123 1.900 -11.939 -15.650 1.00 0.00 H new ATOM 0 HA GLU A 123 0.105 -11.165 -13.404 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.006 -13.603 -14.035 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.738 -13.715 -13.793 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.442 -12.937 -11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.292 -12.873 -11.664 1.00 0.00 H new ATOM 1441 N VAL A 124 2.045 -10.267 -12.122 1.00 0.00 N ATOM 1442 CA VAL A 124 3.191 -9.664 -11.445 1.00 0.00 C ATOM 1443 C VAL A 124 3.071 -9.746 -9.929 1.00 0.00 C ATOM 1444 O VAL A 124 2.095 -9.274 -9.349 1.00 0.00 O ATOM 1445 CB VAL A 124 3.296 -8.186 -11.830 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.590 -7.597 -11.262 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.291 -8.036 -13.354 1.00 0.00 C ATOM 0 H VAL A 124 1.133 -9.968 -11.777 1.00 0.00 H new ATOM 0 HA VAL A 124 4.075 -10.219 -11.757 1.00 0.00 H new ATOM 0 HB VAL A 124 2.440 -7.652 -11.418 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.662 -6.545 -11.537 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.585 -7.688 -10.176 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.445 -8.138 -11.668 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.366 -6.981 -13.616 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.139 -8.576 -13.776 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.364 -8.445 -13.757 1.00 0.00 H new ATOM 1457 N GLN A 125 4.086 -10.318 -9.287 1.00 0.00 N ATOM 1458 CA GLN A 125 4.094 -10.416 -7.836 1.00 0.00 C ATOM 1459 C GLN A 125 5.166 -9.483 -7.285 1.00 0.00 C ATOM 1460 O GLN A 125 6.310 -9.504 -7.741 1.00 0.00 O ATOM 1461 CB GLN A 125 4.390 -11.854 -7.398 1.00 0.00 C ATOM 1462 CG GLN A 125 3.385 -12.808 -8.048 1.00 0.00 C ATOM 1463 CD GLN A 125 4.019 -13.522 -9.238 1.00 0.00 C ATOM 1464 OE1 GLN A 125 5.210 -13.367 -9.492 1.00 0.00 O ATOM 1465 NE2 GLN A 125 3.287 -14.297 -9.989 1.00 0.00 N ATOM 0 H GLN A 125 4.905 -10.716 -9.746 1.00 0.00 H new ATOM 0 HA GLN A 125 3.115 -10.131 -7.451 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.405 -12.130 -7.684 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.332 -11.933 -6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.044 -13.540 -7.316 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.506 -12.252 -8.376 1.00 0.00 H new ATOM 0 HE21 GLN A 125 2.297 -14.425 -9.777 1.00 0.00 H new ATOM 0 HE22 GLN A 125 3.704 -14.775 -10.788 1.00 0.00 H new ATOM 1474 N TYR A 126 4.791 -8.648 -6.323 1.00 0.00 N ATOM 1475 CA TYR A 126 5.744 -7.702 -5.753 1.00 0.00 C ATOM 1476 C TYR A 126 5.388 -7.324 -4.318 1.00 0.00 C ATOM 1477 O TYR A 126 4.287 -7.595 -3.838 1.00 0.00 O ATOM 1478 CB TYR A 126 5.797 -6.443 -6.623 1.00 0.00 C ATOM 1479 CG TYR A 126 4.559 -5.608 -6.410 1.00 0.00 C ATOM 1480 CD1 TYR A 126 3.415 -5.850 -7.177 1.00 0.00 C ATOM 1481 CD2 TYR A 126 4.561 -4.581 -5.460 1.00 0.00 C ATOM 1482 CE1 TYR A 126 2.272 -5.065 -6.992 1.00 0.00 C ATOM 1483 CE2 TYR A 126 3.416 -3.798 -5.276 1.00 0.00 C ATOM 1484 CZ TYR A 126 2.272 -4.040 -6.043 1.00 0.00 C ATOM 1485 OH TYR A 126 1.145 -3.265 -5.863 1.00 0.00 O ATOM 0 H TYR A 126 3.852 -8.605 -5.927 1.00 0.00 H new ATOM 0 HA TYR A 126 6.721 -8.185 -5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.684 -5.860 -6.377 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.880 -6.722 -7.674 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.414 -6.642 -7.911 1.00 0.00 H new ATOM 0 HD2 TYR A 126 5.445 -4.393 -4.869 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.388 -5.252 -7.584 1.00 0.00 H new ATOM 0 HE2 TYR A 126 3.416 -3.006 -4.541 1.00 0.00 H new ATOM 0 HH TYR A 126 1.314 -2.599 -5.164 1.00 0.00 H new ATOM 1495 N ASP A 127 6.341 -6.688 -3.641 1.00 0.00 N ATOM 1496 CA ASP A 127 6.141 -6.258 -2.261 1.00 0.00 C ATOM 1497 C ASP A 127 6.247 -4.742 -2.159 1.00 0.00 C ATOM 1498 O ASP A 127 6.869 -4.095 -3.002 1.00 0.00 O ATOM 1499 CB ASP A 127 7.206 -6.881 -1.352 1.00 0.00 C ATOM 1500 CG ASP A 127 7.113 -8.401 -1.375 1.00 0.00 C ATOM 1501 OD1 ASP A 127 6.147 -8.924 -0.846 1.00 0.00 O ATOM 1502 OD2 ASP A 127 8.015 -9.022 -1.910 1.00 0.00 O ATOM 0 H ASP A 127 7.258 -6.460 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 127 5.149 -6.582 -1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 127 8.198 -6.568 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 127 7.077 -6.519 -0.332 1.00 0.00 H new ATOM 1507 N CYS A 128 5.654 -4.180 -1.111 1.00 0.00 N ATOM 1508 CA CYS A 128 5.711 -2.742 -0.902 1.00 0.00 C ATOM 1509 C CYS A 128 6.619 -2.428 0.284 1.00 0.00 C ATOM 1510 O CYS A 128 6.352 -2.849 1.410 1.00 0.00 O ATOM 1511 CB CYS A 128 4.308 -2.187 -0.642 1.00 0.00 C ATOM 1512 SG CYS A 128 3.310 -2.323 -2.147 1.00 0.00 S ATOM 0 H CYS A 128 5.134 -4.694 -0.400 1.00 0.00 H new ATOM 0 HA CYS A 128 6.114 -2.272 -1.799 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.834 -2.736 0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.371 -1.145 -0.329 1.00 0.00 H new ATOM 1517 N VAL A 129 7.694 -1.691 0.025 1.00 0.00 N ATOM 1518 CA VAL A 129 8.635 -1.332 1.081 1.00 0.00 C ATOM 1519 C VAL A 129 8.746 0.185 1.192 1.00 0.00 C ATOM 1520 O VAL A 129 8.480 0.901 0.228 1.00 0.00 O ATOM 1521 CB VAL A 129 10.012 -1.929 0.776 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.969 -3.445 0.969 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.402 -1.610 -0.669 1.00 0.00 C ATOM 0 H VAL A 129 7.935 -1.333 -0.899 1.00 0.00 H new ATOM 0 HA VAL A 129 8.271 -1.732 2.027 1.00 0.00 H new ATOM 0 HB VAL A 129 10.749 -1.498 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.950 -3.867 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.696 -3.673 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 129 9.230 -3.877 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.382 -2.036 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.664 -2.037 -1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.438 -0.529 -0.806 1.00 0.00 H new ATOM 1533 N PRO A 130 9.133 0.689 2.337 1.00 0.00 N ATOM 1534 CA PRO A 130 9.277 2.156 2.543 1.00 0.00 C ATOM 1535 C PRO A 130 10.182 2.786 1.486 1.00 0.00 C ATOM 1536 O PRO A 130 11.125 2.153 1.012 1.00 0.00 O ATOM 1537 CB PRO A 130 9.908 2.299 3.933 1.00 0.00 C ATOM 1538 CG PRO A 130 9.850 0.957 4.593 1.00 0.00 C ATOM 1539 CD PRO A 130 9.459 -0.085 3.545 1.00 0.00 C ATOM 0 HA PRO A 130 8.316 2.664 2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.939 2.642 3.852 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.370 3.041 4.524 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.817 0.709 5.031 1.00 0.00 H new ATOM 0 HG3 PRO A 130 9.124 0.966 5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.276 -0.782 3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.605 -0.676 3.876 1.00 0.00 H new ATOM 1547 N TYR A 131 9.898 4.036 1.121 1.00 0.00 N ATOM 1548 CA TYR A 131 10.713 4.723 0.124 1.00 0.00 C ATOM 1549 C TYR A 131 12.035 5.161 0.740 1.00 0.00 C ATOM 1550 O TYR A 131 12.900 5.710 0.059 1.00 0.00 O ATOM 1551 CB TYR A 131 9.986 5.948 -0.433 1.00 0.00 C ATOM 1552 CG TYR A 131 10.858 6.596 -1.484 1.00 0.00 C ATOM 1553 CD1 TYR A 131 11.288 5.857 -2.598 1.00 0.00 C ATOM 1554 CD2 TYR A 131 11.252 7.931 -1.340 1.00 0.00 C ATOM 1555 CE1 TYR A 131 12.110 6.453 -3.562 1.00 0.00 C ATOM 1556 CE2 TYR A 131 12.072 8.528 -2.306 1.00 0.00 C ATOM 1557 CZ TYR A 131 12.501 7.790 -3.416 1.00 0.00 C ATOM 1558 OH TYR A 131 13.312 8.380 -4.365 1.00 0.00 O ATOM 0 H TYR A 131 9.123 4.584 1.494 1.00 0.00 H new ATOM 0 HA TYR A 131 10.900 4.026 -0.693 1.00 0.00 H new ATOM 0 HB2 TYR A 131 9.029 5.655 -0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 131 9.771 6.656 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 131 10.984 4.827 -2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 131 10.924 8.501 -0.484 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.442 5.883 -4.417 1.00 0.00 H new ATOM 0 HE2 TYR A 131 12.374 9.559 -2.195 1.00 0.00 H new ATOM 0 HH TYR A 131 13.488 9.310 -4.112 1.00 0.00 H new ATOM 1568 N LYS A 132 12.179 4.908 2.034 1.00 0.00 N ATOM 1569 CA LYS A 132 13.396 5.268 2.748 1.00 0.00 C ATOM 1570 C LYS A 132 13.859 4.089 3.588 1.00 0.00 C ATOM 1571 O LYS A 132 13.190 3.693 4.541 1.00 0.00 O ATOM 1572 CB LYS A 132 13.133 6.475 3.648 1.00 0.00 C ATOM 1573 CG LYS A 132 12.804 7.693 2.783 1.00 0.00 C ATOM 1574 CD LYS A 132 12.624 8.921 3.677 1.00 0.00 C ATOM 1575 CE LYS A 132 11.410 8.713 4.585 1.00 0.00 C ATOM 1576 NZ LYS A 132 10.324 8.041 3.817 1.00 0.00 N ATOM 0 H LYS A 132 11.469 4.455 2.610 1.00 0.00 H new ATOM 0 HA LYS A 132 14.173 5.526 2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 132 12.307 6.263 4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 132 14.008 6.679 4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 132 13.604 7.868 2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 132 11.895 7.511 2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 132 13.519 9.081 4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 132 12.487 9.813 3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 132 11.688 8.108 5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 132 11.060 9.672 4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 9.409 8.226 4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 10.306 8.411 2.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 10.498 7.016 3.794 1.00 0.00 H new ATOM 1590 N VAL A 133 14.999 3.519 3.219 1.00 0.00 N ATOM 1591 CA VAL A 133 15.522 2.370 3.943 1.00 0.00 C ATOM 1592 C VAL A 133 16.509 2.790 5.026 1.00 0.00 C ATOM 1593 O VAL A 133 17.420 3.583 4.787 1.00 0.00 O ATOM 1594 CB VAL A 133 16.195 1.407 2.967 1.00 0.00 C ATOM 1595 CG1 VAL A 133 16.768 0.222 3.744 1.00 0.00 C ATOM 1596 CG2 VAL A 133 15.156 0.905 1.960 1.00 0.00 C ATOM 0 H VAL A 133 15.572 3.829 2.434 1.00 0.00 H new ATOM 0 HA VAL A 133 14.685 1.871 4.432 1.00 0.00 H new ATOM 0 HB VAL A 133 16.999 1.918 2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 133 17.250 -0.468 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 133 17.501 0.581 4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 133 15.963 -0.293 4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 133 15.630 0.217 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 133 14.355 0.389 2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 133 14.742 1.751 1.412 1.00 0.00 H new ATOM 1606 N GLU A 134 16.312 2.237 6.219 1.00 0.00 N ATOM 1607 CA GLU A 134 17.175 2.534 7.356 1.00 0.00 C ATOM 1608 C GLU A 134 17.171 4.030 7.663 1.00 0.00 C ATOM 1609 O GLU A 134 17.246 4.809 6.727 1.00 0.00 O ATOM 1610 CB GLU A 134 18.603 2.033 7.074 1.00 0.00 C ATOM 1611 CG GLU A 134 19.582 3.206 6.944 1.00 0.00 C ATOM 1612 CD GLU A 134 19.761 3.897 8.293 1.00 0.00 C ATOM 1613 OE1 GLU A 134 19.480 3.269 9.300 1.00 0.00 O ATOM 1614 OE2 GLU A 134 20.171 5.046 8.297 1.00 0.00 O ATOM 1615 OXT GLU A 134 17.092 4.373 8.831 1.00 0.00 O ATOM 0 H GLU A 134 15.560 1.579 6.423 1.00 0.00 H new ATOM 0 HA GLU A 134 16.791 2.015 8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 134 18.926 1.373 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 134 18.611 1.445 6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 134 20.545 2.847 6.581 1.00 0.00 H new ATOM 0 HG3 GLU A 134 19.210 3.919 6.209 1.00 0.00 H new TER 1622 GLU A 134 HETATM 1623 C1 NAG A 135 15.799 1.474 -6.261 1.00 0.00 C HETATM 1624 C2 NAG A 135 16.723 1.018 -7.364 1.00 0.00 C HETATM 1625 C3 NAG A 135 17.887 0.271 -6.768 1.00 0.00 C HETATM 1626 C4 NAG A 135 18.609 1.155 -5.782 1.00 0.00 C HETATM 1627 C5 NAG A 135 17.630 1.674 -4.739 1.00 0.00 C HETATM 1628 C6 NAG A 135 18.261 2.714 -3.816 1.00 0.00 C HETATM 1629 C7 NAG A 135 16.168 0.312 -9.613 1.00 0.00 C HETATM 1630 C8 NAG A 135 15.412 -0.617 -10.533 1.00 0.00 C HETATM 1631 N2 NAG A 135 16.005 0.142 -8.304 1.00 0.00 N HETATM 1632 O3 NAG A 135 18.782 -0.142 -7.815 1.00 0.00 O HETATM 1633 O4 NAG A 135 19.653 0.408 -5.138 1.00 0.00 O HETATM 1634 O5 NAG A 135 16.496 2.307 -5.370 1.00 0.00 O HETATM 1635 O6 NAG A 135 17.299 3.229 -2.882 1.00 0.00 O HETATM 1636 O7 NAG A 135 16.900 1.180 -10.089 1.00 0.00 O HETATM 0 HO6 NAG A 135 16.402 3.172 -3.272 1.00 0.00 H new HETATM 0 HO4 NAG A 135 20.221 1.018 -4.622 1.00 0.00 H new HETATM 0 HO3 NAG A 135 19.540 -0.627 -7.426 1.00 0.00 H new HETATM 0 HN2 NAG A 135 15.387 -0.590 -7.954 1.00 0.00 H new HETATM 0 H83 NAG A 135 15.710 -1.647 -10.336 1.00 0.00 H new HETATM 0 H82 NAG A 135 14.341 -0.510 -10.359 1.00 0.00 H new HETATM 0 H81 NAG A 135 15.638 -0.366 -11.569 1.00 0.00 H new HETATM 0 H62 NAG A 135 19.094 2.266 -3.275 1.00 0.00 H new HETATM 0 H61 NAG A 135 18.669 3.532 -4.410 1.00 0.00 H new HETATM 0 H5 NAG A 135 17.326 0.802 -4.159 1.00 0.00 H new HETATM 0 H4 NAG A 135 19.046 2.001 -6.313 1.00 0.00 H new HETATM 0 H3 NAG A 135 17.522 -0.613 -6.245 1.00 0.00 H new HETATM 0 H2 NAG A 135 17.085 1.892 -7.905 1.00 0.00 H new