USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 956 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= -0.0258 (180deg=-0.238) USER MOD Single : A 5 MET CE :methyl -140:sc= -0.8 (180deg=-4.05!) USER MOD Single : A 8 GLN : amide:sc= -0.184 K(o=-0.18,f=-2.3!) USER MOD Single : A 16 LYS NZ :NH3+ 158:sc= -0.0142 (180deg=-0.764) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -145:sc= 0.0714 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.273 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= -0.0403 (180deg=-0.29) USER MOD Single : A 41 SER OG : rot 151:sc= 1.2 USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0436) USER MOD Single : A 48 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0551) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 30:sc= 0.2 USER MOD Single : A 58 ASN : amide:sc= -0.297 K(o=-0.3,f=-2.8!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -157:sc= -5.62 (180deg=-10.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.301 F(o=-1.1,f=-0.3) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -38:sc= 0.348 USER MOD Single : A 84 GLN : amide:sc= 0.154 X(o=0.15,f=0) USER MOD Single : A 86 TYR OH : rot -117:sc= -4.96! USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0745 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.312 1.581 10.812 1.00 0.00 N ATOM 2 CA MET A 1 -15.938 2.011 10.618 1.00 0.00 C ATOM 3 C MET A 1 -15.231 1.137 9.581 1.00 0.00 C ATOM 4 O MET A 1 -14.036 0.869 9.700 1.00 0.00 O ATOM 5 CB MET A 1 -15.186 1.934 11.949 1.00 0.00 C ATOM 6 CG MET A 1 -15.017 3.325 12.564 1.00 0.00 C ATOM 7 SD MET A 1 -15.998 3.459 14.049 1.00 0.00 S ATOM 8 CE MET A 1 -16.313 5.216 14.055 1.00 0.00 C ATOM 0 H1 MET A 1 -17.690 2.008 11.682 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.888 1.882 10.000 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.343 0.545 10.893 1.00 0.00 H new ATOM 0 HA MET A 1 -15.947 3.038 10.254 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.729 1.290 12.641 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.207 1.480 11.792 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.967 3.505 12.795 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.321 4.088 11.847 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.919 5.474 14.924 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.367 5.755 14.099 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.846 5.493 13.146 1.00 0.00 H new ATOM 17 N GLU A 2 -15.998 0.715 8.587 1.00 0.00 N ATOM 18 CA GLU A 2 -15.460 -0.124 7.529 1.00 0.00 C ATOM 19 C GLU A 2 -15.224 0.704 6.264 1.00 0.00 C ATOM 20 O GLU A 2 -15.997 1.610 5.958 1.00 0.00 O ATOM 21 CB GLU A 2 -16.386 -1.309 7.245 1.00 0.00 C ATOM 22 CG GLU A 2 -15.580 -2.585 6.992 1.00 0.00 C ATOM 23 CD GLU A 2 -15.969 -3.684 7.982 1.00 0.00 C ATOM 24 OE1 GLU A 2 -17.158 -3.705 8.369 1.00 0.00 O ATOM 25 OE2 GLU A 2 -15.070 -4.480 8.329 1.00 0.00 O ATOM 0 H GLU A 2 -16.989 0.938 8.492 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.502 -0.525 7.861 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.058 -1.460 8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.008 -1.089 6.377 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.751 -2.931 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.515 -2.370 7.081 1.00 0.00 H new ATOM 32 N TRP A 3 -14.154 0.361 5.563 1.00 0.00 N ATOM 33 CA TRP A 3 -13.806 1.061 4.338 1.00 0.00 C ATOM 34 C TRP A 3 -13.959 0.080 3.174 1.00 0.00 C ATOM 35 O TRP A 3 -13.885 -1.133 3.365 1.00 0.00 O ATOM 36 CB TRP A 3 -12.403 1.664 4.430 1.00 0.00 C ATOM 37 CG TRP A 3 -12.112 2.362 5.761 1.00 0.00 C ATOM 38 CD1 TRP A 3 -11.333 1.934 6.763 1.00 0.00 C ATOM 39 CD2 TRP A 3 -12.631 3.636 6.195 1.00 0.00 C ATOM 40 NE1 TRP A 3 -11.312 2.835 7.808 1.00 0.00 N ATOM 41 CE2 TRP A 3 -12.127 3.903 7.451 1.00 0.00 C ATOM 42 CE3 TRP A 3 -13.499 4.534 5.548 1.00 0.00 C ATOM 43 CZ2 TRP A 3 -12.431 5.067 8.168 1.00 0.00 C ATOM 44 CZ3 TRP A 3 -13.794 5.691 6.278 1.00 0.00 C ATOM 45 CH2 TRP A 3 -13.294 5.975 7.543 1.00 0.00 C ATOM 0 H TRP A 3 -13.516 -0.392 5.820 1.00 0.00 H new ATOM 0 HA TRP A 3 -14.475 1.905 4.173 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -11.668 0.874 4.278 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -12.273 2.381 3.619 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -10.789 1.001 6.754 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -10.794 2.736 8.681 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -13.906 4.346 4.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -12.022 5.254 9.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -14.457 6.414 5.826 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -13.570 6.892 8.042 1.00 0.00 H new ATOM 56 N GLU A 4 -14.170 0.642 1.992 1.00 0.00 N ATOM 57 CA GLU A 4 -14.335 -0.168 0.797 1.00 0.00 C ATOM 58 C GLU A 4 -13.637 0.494 -0.393 1.00 0.00 C ATOM 59 O GLU A 4 -13.855 1.673 -0.668 1.00 0.00 O ATOM 60 CB GLU A 4 -15.816 -0.411 0.499 1.00 0.00 C ATOM 61 CG GLU A 4 -16.612 0.893 0.578 1.00 0.00 C ATOM 62 CD GLU A 4 -17.223 1.246 -0.779 1.00 0.00 C ATOM 63 OE1 GLU A 4 -16.431 1.574 -1.690 1.00 0.00 O ATOM 64 OE2 GLU A 4 -18.467 1.180 -0.876 1.00 0.00 O ATOM 0 H GLU A 4 -14.230 1.648 1.837 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.870 -1.138 0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.924 -0.848 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.220 -1.132 1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.402 0.796 1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.960 1.702 0.909 1.00 0.00 H new ATOM 71 N MET A 5 -12.811 -0.294 -1.067 1.00 0.00 N ATOM 72 CA MET A 5 -12.080 0.201 -2.221 1.00 0.00 C ATOM 73 C MET A 5 -12.221 -0.752 -3.409 1.00 0.00 C ATOM 74 O MET A 5 -12.832 -1.813 -3.290 1.00 0.00 O ATOM 75 CB MET A 5 -10.601 0.354 -1.861 1.00 0.00 C ATOM 76 CG MET A 5 -10.428 1.205 -0.601 1.00 0.00 C ATOM 77 SD MET A 5 -8.871 2.076 -0.661 1.00 0.00 S ATOM 78 CE MET A 5 -8.527 2.216 1.085 1.00 0.00 C ATOM 0 H MET A 5 -12.632 -1.271 -0.836 1.00 0.00 H new ATOM 0 HA MET A 5 -12.496 1.168 -2.504 1.00 0.00 H new ATOM 0 HB2 MET A 5 -10.158 -0.629 -1.704 1.00 0.00 H new ATOM 0 HB3 MET A 5 -10.067 0.815 -2.692 1.00 0.00 H new ATOM 0 HG2 MET A 5 -11.249 1.917 -0.517 1.00 0.00 H new ATOM 0 HG3 MET A 5 -10.465 0.570 0.284 1.00 0.00 H new ATOM 0 HE1 MET A 5 -8.108 3.200 1.296 1.00 0.00 H new ATOM 0 HE2 MET A 5 -9.450 2.086 1.649 1.00 0.00 H new ATOM 0 HE3 MET A 5 -7.812 1.447 1.378 1.00 0.00 H new ATOM 88 N GLY A 6 -11.645 -0.340 -4.529 1.00 0.00 N ATOM 89 CA GLY A 6 -11.699 -1.144 -5.738 1.00 0.00 C ATOM 90 C GLY A 6 -10.379 -1.064 -6.508 1.00 0.00 C ATOM 91 O GLY A 6 -9.803 0.013 -6.649 1.00 0.00 O ATOM 0 H GLY A 6 -11.139 0.540 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.912 -2.181 -5.480 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.516 -0.799 -6.372 1.00 0.00 H new ATOM 95 N LEU A 7 -9.940 -2.219 -6.986 1.00 0.00 N ATOM 96 CA LEU A 7 -8.699 -2.293 -7.739 1.00 0.00 C ATOM 97 C LEU A 7 -8.618 -3.646 -8.449 1.00 0.00 C ATOM 98 O LEU A 7 -9.265 -4.608 -8.035 1.00 0.00 O ATOM 99 CB LEU A 7 -7.503 -2.004 -6.830 1.00 0.00 C ATOM 100 CG LEU A 7 -7.494 -2.727 -5.481 1.00 0.00 C ATOM 101 CD1 LEU A 7 -6.070 -3.106 -5.072 1.00 0.00 C ATOM 102 CD2 LEU A 7 -8.197 -1.893 -4.408 1.00 0.00 C ATOM 0 H LEU A 7 -10.421 -3.111 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.676 -1.525 -8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.592 -2.268 -7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.464 -0.931 -6.645 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.056 -3.655 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.092 -3.618 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.639 -3.766 -5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.463 -2.204 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.177 -2.429 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.684 -0.938 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.231 -1.717 -4.703 1.00 0.00 H new ATOM 114 N GLN A 8 -7.819 -3.678 -9.505 1.00 0.00 N ATOM 115 CA GLN A 8 -7.646 -4.897 -10.276 1.00 0.00 C ATOM 116 C GLN A 8 -7.441 -6.091 -9.342 1.00 0.00 C ATOM 117 O GLN A 8 -6.809 -5.964 -8.295 1.00 0.00 O ATOM 118 CB GLN A 8 -6.481 -4.764 -11.259 1.00 0.00 C ATOM 119 CG GLN A 8 -6.967 -4.263 -12.620 1.00 0.00 C ATOM 120 CD GLN A 8 -6.065 -4.775 -13.746 1.00 0.00 C ATOM 121 OE1 GLN A 8 -5.274 -5.687 -13.576 1.00 0.00 O ATOM 122 NE2 GLN A 8 -6.229 -4.138 -14.902 1.00 0.00 N ATOM 0 H GLN A 8 -7.284 -2.879 -9.845 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.552 -5.067 -10.858 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.739 -4.074 -10.857 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.988 -5.729 -11.377 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.991 -4.596 -12.790 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.981 -3.173 -12.627 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.910 -3.382 -14.976 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.674 -4.405 -15.715 1.00 0.00 H new ATOM 131 N GLU A 9 -7.988 -7.226 -9.754 1.00 0.00 N ATOM 132 CA GLU A 9 -7.873 -8.442 -8.968 1.00 0.00 C ATOM 133 C GLU A 9 -6.401 -8.789 -8.739 1.00 0.00 C ATOM 134 O GLU A 9 -6.029 -9.254 -7.662 1.00 0.00 O ATOM 135 CB GLU A 9 -8.612 -9.601 -9.639 1.00 0.00 C ATOM 136 CG GLU A 9 -8.657 -10.826 -8.724 1.00 0.00 C ATOM 137 CD GLU A 9 -9.131 -12.064 -9.488 1.00 0.00 C ATOM 138 OE1 GLU A 9 -8.393 -12.482 -10.406 1.00 0.00 O ATOM 139 OE2 GLU A 9 -10.221 -12.565 -9.136 1.00 0.00 O ATOM 0 H GLU A 9 -8.512 -7.328 -10.623 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.340 -8.270 -7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.627 -9.293 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.117 -9.860 -10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.667 -11.009 -8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.326 -10.634 -7.885 1.00 0.00 H new ATOM 146 N GLU A 10 -5.602 -8.548 -9.768 1.00 0.00 N ATOM 147 CA GLU A 10 -4.179 -8.830 -9.693 1.00 0.00 C ATOM 148 C GLU A 10 -3.566 -8.143 -8.470 1.00 0.00 C ATOM 149 O GLU A 10 -2.792 -8.753 -7.734 1.00 0.00 O ATOM 150 CB GLU A 10 -3.466 -8.401 -10.977 1.00 0.00 C ATOM 151 CG GLU A 10 -2.796 -9.596 -11.658 1.00 0.00 C ATOM 152 CD GLU A 10 -1.820 -9.134 -12.741 1.00 0.00 C ATOM 153 OE1 GLU A 10 -2.312 -8.765 -13.829 1.00 0.00 O ATOM 154 OE2 GLU A 10 -0.603 -9.160 -12.456 1.00 0.00 O ATOM 0 H GLU A 10 -5.913 -8.160 -10.659 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.047 -9.907 -9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.182 -7.944 -11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.718 -7.643 -10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.265 -10.192 -10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.556 -10.241 -12.100 1.00 0.00 H new ATOM 161 N PHE A 11 -3.936 -6.884 -8.291 1.00 0.00 N ATOM 162 CA PHE A 11 -3.433 -6.108 -7.171 1.00 0.00 C ATOM 163 C PHE A 11 -3.868 -6.722 -5.839 1.00 0.00 C ATOM 164 O PHE A 11 -3.063 -6.848 -4.917 1.00 0.00 O ATOM 165 CB PHE A 11 -4.033 -4.705 -7.292 1.00 0.00 C ATOM 166 CG PHE A 11 -3.066 -3.662 -7.856 1.00 0.00 C ATOM 167 CD1 PHE A 11 -2.814 -3.620 -9.192 1.00 0.00 C ATOM 168 CD2 PHE A 11 -2.460 -2.776 -7.022 1.00 0.00 C ATOM 169 CE1 PHE A 11 -1.917 -2.652 -9.715 1.00 0.00 C ATOM 170 CE2 PHE A 11 -1.563 -1.807 -7.545 1.00 0.00 C ATOM 171 CZ PHE A 11 -1.310 -1.766 -8.881 1.00 0.00 C ATOM 0 H PHE A 11 -4.579 -6.382 -8.903 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.343 -6.088 -7.193 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.914 -4.752 -7.931 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.370 -4.379 -6.308 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.296 -4.323 -9.855 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -2.661 -2.809 -5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.717 -2.619 -10.776 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.082 -1.103 -6.882 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.627 -1.030 -9.279 1.00 0.00 H new ATOM 181 N LEU A 12 -5.140 -7.088 -5.780 1.00 0.00 N ATOM 182 CA LEU A 12 -5.691 -7.686 -4.576 1.00 0.00 C ATOM 183 C LEU A 12 -4.792 -8.839 -4.126 1.00 0.00 C ATOM 184 O LEU A 12 -4.442 -8.935 -2.951 1.00 0.00 O ATOM 185 CB LEU A 12 -7.149 -8.095 -4.801 1.00 0.00 C ATOM 186 CG LEU A 12 -8.191 -6.990 -4.621 1.00 0.00 C ATOM 187 CD1 LEU A 12 -8.205 -6.048 -5.826 1.00 0.00 C ATOM 188 CD2 LEU A 12 -9.574 -7.580 -4.338 1.00 0.00 C ATOM 0 H LEU A 12 -5.805 -6.982 -6.546 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.708 -6.960 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.242 -8.494 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.388 -8.907 -4.115 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.911 -6.396 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.955 -5.272 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.224 -5.587 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.447 -6.613 -6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.296 -6.773 -4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.877 -8.213 -5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.536 -8.175 -3.426 1.00 0.00 H new ATOM 200 N GLU A 13 -4.443 -9.684 -5.085 1.00 0.00 N ATOM 201 CA GLU A 13 -3.590 -10.826 -4.802 1.00 0.00 C ATOM 202 C GLU A 13 -2.206 -10.357 -4.349 1.00 0.00 C ATOM 203 O GLU A 13 -1.546 -11.031 -3.560 1.00 0.00 O ATOM 204 CB GLU A 13 -3.486 -11.747 -6.019 1.00 0.00 C ATOM 205 CG GLU A 13 -3.198 -13.188 -5.594 1.00 0.00 C ATOM 206 CD GLU A 13 -4.499 -13.965 -5.376 1.00 0.00 C ATOM 207 OE1 GLU A 13 -5.285 -13.524 -4.510 1.00 0.00 O ATOM 208 OE2 GLU A 13 -4.677 -14.982 -6.081 1.00 0.00 O ATOM 0 H GLU A 13 -4.735 -9.601 -6.059 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.040 -11.399 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.415 -11.711 -6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.694 -11.394 -6.680 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.598 -13.683 -6.357 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.611 -13.190 -4.676 1.00 0.00 H new ATOM 215 N LEU A 14 -1.809 -9.204 -4.867 1.00 0.00 N ATOM 216 CA LEU A 14 -0.516 -8.636 -4.526 1.00 0.00 C ATOM 217 C LEU A 14 -0.545 -8.146 -3.077 1.00 0.00 C ATOM 218 O LEU A 14 0.473 -8.176 -2.387 1.00 0.00 O ATOM 219 CB LEU A 14 -0.123 -7.554 -5.533 1.00 0.00 C ATOM 220 CG LEU A 14 0.424 -8.051 -6.873 1.00 0.00 C ATOM 221 CD1 LEU A 14 1.126 -6.922 -7.631 1.00 0.00 C ATOM 222 CD2 LEU A 14 1.337 -9.263 -6.676 1.00 0.00 C ATOM 0 H LEU A 14 -2.360 -8.648 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 14 0.262 -9.396 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.997 -6.933 -5.728 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.628 -6.912 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.416 -8.377 -7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.506 -7.302 -8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.418 -6.115 -7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.956 -6.544 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.712 -9.597 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.176 -8.987 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.774 -10.070 -6.207 1.00 0.00 H new ATOM 234 N ILE A 15 -1.723 -7.707 -2.658 1.00 0.00 N ATOM 235 CA ILE A 15 -1.898 -7.211 -1.304 1.00 0.00 C ATOM 236 C ILE A 15 -1.612 -8.340 -0.311 1.00 0.00 C ATOM 237 O ILE A 15 -0.965 -8.123 0.712 1.00 0.00 O ATOM 238 CB ILE A 15 -3.283 -6.583 -1.138 1.00 0.00 C ATOM 239 CG1 ILE A 15 -3.252 -5.090 -1.473 1.00 0.00 C ATOM 240 CG2 ILE A 15 -3.840 -6.845 0.263 1.00 0.00 C ATOM 241 CD1 ILE A 15 -2.885 -4.865 -2.941 1.00 0.00 C ATOM 0 H ILE A 15 -2.565 -7.685 -3.233 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.185 -6.414 -1.095 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.961 -7.058 -1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.226 -4.647 -1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.529 -4.585 -0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.825 -6.388 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.922 -7.919 0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.170 -6.415 1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.870 -3.796 -3.153 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.900 -5.288 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.623 -5.351 -3.579 1.00 0.00 H new ATOM 253 N LYS A 16 -2.109 -9.521 -0.648 1.00 0.00 N ATOM 254 CA LYS A 16 -1.915 -10.685 0.200 1.00 0.00 C ATOM 255 C LYS A 16 -0.432 -11.062 0.210 1.00 0.00 C ATOM 256 O LYS A 16 0.125 -11.376 1.260 1.00 0.00 O ATOM 257 CB LYS A 16 -2.837 -11.825 -0.235 1.00 0.00 C ATOM 258 CG LYS A 16 -3.488 -12.497 0.976 1.00 0.00 C ATOM 259 CD LYS A 16 -4.987 -12.194 1.032 1.00 0.00 C ATOM 260 CE LYS A 16 -5.736 -12.928 -0.082 1.00 0.00 C ATOM 261 NZ LYS A 16 -5.730 -14.387 0.163 1.00 0.00 N ATOM 0 H LYS A 16 -2.646 -9.697 -1.497 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.193 -10.457 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.610 -11.439 -0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.268 -12.562 -0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.333 -13.575 0.925 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.009 -12.149 1.891 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.386 -12.492 2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.149 -11.120 0.938 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.763 -12.567 -0.137 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.271 -12.713 -1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.518 -14.829 -0.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.830 -14.791 -0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.838 -14.568 1.181 1.00 0.00 H new ATOM 275 N LEU A 17 0.164 -11.019 -0.973 1.00 0.00 N ATOM 276 CA LEU A 17 1.571 -11.353 -1.114 1.00 0.00 C ATOM 277 C LEU A 17 2.418 -10.263 -0.455 1.00 0.00 C ATOM 278 O LEU A 17 3.327 -10.560 0.318 1.00 0.00 O ATOM 279 CB LEU A 17 1.919 -11.598 -2.583 1.00 0.00 C ATOM 280 CG LEU A 17 1.641 -13.007 -3.113 1.00 0.00 C ATOM 281 CD1 LEU A 17 0.877 -12.954 -4.437 1.00 0.00 C ATOM 282 CD2 LEU A 17 2.936 -13.813 -3.230 1.00 0.00 C ATOM 0 H LEU A 17 -0.302 -10.758 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 17 1.794 -12.287 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.361 -10.886 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.977 -11.380 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 17 1.004 -13.523 -2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.693 -13.968 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.074 -12.443 -4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.468 -12.413 -5.176 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.711 -14.810 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.617 -13.309 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.404 -13.895 -2.249 1.00 0.00 H new ATOM 294 N ARG A 18 2.089 -9.022 -0.785 1.00 0.00 N ATOM 295 CA ARG A 18 2.808 -7.886 -0.235 1.00 0.00 C ATOM 296 C ARG A 18 2.372 -7.630 1.209 1.00 0.00 C ATOM 297 O ARG A 18 2.806 -6.661 1.830 1.00 0.00 O ATOM 298 CB ARG A 18 2.563 -6.624 -1.065 1.00 0.00 C ATOM 299 CG ARG A 18 1.128 -6.123 -0.890 1.00 0.00 C ATOM 300 CD ARG A 18 1.104 -4.764 -0.188 1.00 0.00 C ATOM 301 NE ARG A 18 1.784 -3.750 -1.025 1.00 0.00 N ATOM 302 CZ ARG A 18 1.225 -3.156 -2.088 1.00 0.00 C ATOM 303 NH1 ARG A 18 -0.026 -3.470 -2.450 1.00 0.00 N ATOM 304 NH2 ARG A 18 1.917 -2.247 -2.788 1.00 0.00 N ATOM 0 H ARG A 18 1.334 -8.779 -1.426 1.00 0.00 H new ATOM 0 HA ARG A 18 3.871 -8.124 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.263 -5.845 -0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.753 -6.834 -2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.646 -6.042 -1.864 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.555 -6.846 -0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.074 -4.461 0.000 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.597 -4.837 0.781 1.00 0.00 H new ATOM 0 HE ARG A 18 2.738 -3.487 -0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.553 -4.161 -1.916 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.451 -3.018 -3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.869 -2.007 -2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.492 -1.795 -3.597 1.00 0.00 H new ATOM 318 N LYS A 19 1.519 -8.516 1.702 1.00 0.00 N ATOM 319 CA LYS A 19 1.020 -8.399 3.061 1.00 0.00 C ATOM 320 C LYS A 19 2.157 -8.683 4.044 1.00 0.00 C ATOM 321 O LYS A 19 2.159 -8.170 5.162 1.00 0.00 O ATOM 322 CB LYS A 19 -0.204 -9.295 3.262 1.00 0.00 C ATOM 323 CG LYS A 19 0.171 -10.577 4.008 1.00 0.00 C ATOM 324 CD LYS A 19 -0.910 -11.646 3.838 1.00 0.00 C ATOM 325 CE LYS A 19 -0.293 -13.045 3.778 1.00 0.00 C ATOM 326 NZ LYS A 19 -1.289 -14.068 4.164 1.00 0.00 N ATOM 0 H LYS A 19 1.161 -9.318 1.184 1.00 0.00 H new ATOM 0 HA LYS A 19 0.677 -7.382 3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.967 -8.754 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.638 -9.547 2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.123 -10.954 3.634 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.308 -10.359 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.615 -11.591 4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.476 -11.455 2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.071 -13.245 2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.568 -13.098 4.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.854 -15.011 4.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.617 -13.885 5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.098 -14.028 3.512 1.00 0.00 H new ATOM 340 N LYS A 20 3.098 -9.499 3.592 1.00 0.00 N ATOM 341 CA LYS A 20 4.238 -9.858 4.418 1.00 0.00 C ATOM 342 C LYS A 20 5.305 -8.767 4.307 1.00 0.00 C ATOM 343 O LYS A 20 6.424 -8.936 4.791 1.00 0.00 O ATOM 344 CB LYS A 20 4.747 -11.254 4.052 1.00 0.00 C ATOM 345 CG LYS A 20 4.928 -12.116 5.303 1.00 0.00 C ATOM 346 CD LYS A 20 6.033 -13.154 5.098 1.00 0.00 C ATOM 347 CE LYS A 20 6.958 -13.219 6.315 1.00 0.00 C ATOM 348 NZ LYS A 20 8.282 -12.644 5.991 1.00 0.00 N ATOM 0 H LYS A 20 3.094 -9.922 2.664 1.00 0.00 H new ATOM 0 HA LYS A 20 3.946 -9.915 5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.043 -11.735 3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.696 -11.172 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.174 -11.481 6.154 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.991 -12.619 5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.588 -14.134 4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.612 -12.903 4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.512 -12.674 7.147 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.073 -14.254 6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.897 -12.696 6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.712 -13.181 5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.169 -11.650 5.706 1.00 0.00 H new ATOM 362 N LYS A 21 4.922 -7.671 3.668 1.00 0.00 N ATOM 363 CA LYS A 21 5.832 -6.553 3.488 1.00 0.00 C ATOM 364 C LYS A 21 5.141 -5.262 3.934 1.00 0.00 C ATOM 365 O LYS A 21 5.044 -4.987 5.129 1.00 0.00 O ATOM 366 CB LYS A 21 6.348 -6.508 2.049 1.00 0.00 C ATOM 367 CG LYS A 21 7.188 -7.746 1.729 1.00 0.00 C ATOM 368 CD LYS A 21 6.768 -8.363 0.393 1.00 0.00 C ATOM 369 CE LYS A 21 7.511 -9.676 0.138 1.00 0.00 C ATOM 370 NZ LYS A 21 8.781 -9.422 -0.579 1.00 0.00 N ATOM 0 H LYS A 21 3.994 -7.534 3.269 1.00 0.00 H new ATOM 0 HA LYS A 21 6.715 -6.676 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.507 -6.447 1.359 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.947 -5.609 1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.243 -7.475 1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.075 -8.482 2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.693 -8.543 0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.973 -7.662 -0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.715 -10.175 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.884 -10.348 -0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.971 -10.205 -1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.707 -8.532 -1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.559 -9.350 0.108 1.00 0.00 H new ATOM 384 N ILE A 22 4.678 -4.506 2.950 1.00 0.00 N ATOM 385 CA ILE A 22 4.000 -3.251 3.226 1.00 0.00 C ATOM 386 C ILE A 22 3.223 -2.812 1.983 1.00 0.00 C ATOM 387 O ILE A 22 3.293 -3.462 0.942 1.00 0.00 O ATOM 388 CB ILE A 22 4.994 -2.204 3.732 1.00 0.00 C ATOM 389 CG1 ILE A 22 4.691 -1.814 5.180 1.00 0.00 C ATOM 390 CG2 ILE A 22 5.027 -0.986 2.805 1.00 0.00 C ATOM 391 CD1 ILE A 22 3.312 -1.162 5.295 1.00 0.00 C ATOM 0 H ILE A 22 4.759 -4.738 1.960 1.00 0.00 H new ATOM 0 HA ILE A 22 3.273 -3.379 4.028 1.00 0.00 H new ATOM 0 HB ILE A 22 5.991 -2.646 3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.733 -2.699 5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.454 -1.125 5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.741 -0.257 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.327 -1.298 1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.036 -0.535 2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.122 -0.894 6.334 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.281 -0.264 4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.549 -1.862 4.955 1.00 0.00 H new ATOM 403 N GLU A 23 2.501 -1.711 2.134 1.00 0.00 N ATOM 404 CA GLU A 23 1.712 -1.178 1.037 1.00 0.00 C ATOM 405 C GLU A 23 1.756 0.352 1.046 1.00 0.00 C ATOM 406 O GLU A 23 0.794 1.002 1.450 1.00 0.00 O ATOM 407 CB GLU A 23 0.270 -1.685 1.100 1.00 0.00 C ATOM 408 CG GLU A 23 -0.574 -1.081 -0.024 1.00 0.00 C ATOM 409 CD GLU A 23 -1.668 -2.053 -0.470 1.00 0.00 C ATOM 410 OE1 GLU A 23 -2.200 -2.755 0.417 1.00 0.00 O ATOM 411 OE2 GLU A 23 -1.949 -2.072 -1.688 1.00 0.00 O ATOM 0 H GLU A 23 2.446 -1.174 2.999 1.00 0.00 H new ATOM 0 HA GLU A 23 2.145 -1.530 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.260 -2.772 1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.167 -1.429 2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.027 -0.150 0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.065 -0.834 -0.871 1.00 0.00 H new ATOM 418 N GLY A 24 2.883 0.882 0.594 1.00 0.00 N ATOM 419 CA GLY A 24 3.066 2.323 0.546 1.00 0.00 C ATOM 420 C GLY A 24 1.898 2.999 -0.176 1.00 0.00 C ATOM 421 O GLY A 24 1.042 2.325 -0.747 1.00 0.00 O ATOM 0 H GLY A 24 3.679 0.340 0.258 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.149 2.717 1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.000 2.558 0.035 1.00 0.00 H new ATOM 425 N ARG A 25 1.900 4.323 -0.126 1.00 0.00 N ATOM 426 CA ARG A 25 0.851 5.098 -0.767 1.00 0.00 C ATOM 427 C ARG A 25 0.782 6.501 -0.161 1.00 0.00 C ATOM 428 O ARG A 25 0.512 6.654 1.030 1.00 0.00 O ATOM 429 CB ARG A 25 -0.509 4.415 -0.614 1.00 0.00 C ATOM 430 CG ARG A 25 -0.936 3.744 -1.921 1.00 0.00 C ATOM 431 CD ARG A 25 -2.377 4.109 -2.280 1.00 0.00 C ATOM 432 NE ARG A 25 -2.961 3.068 -3.155 1.00 0.00 N ATOM 433 CZ ARG A 25 -4.189 3.135 -3.687 1.00 0.00 C ATOM 434 NH1 ARG A 25 -4.971 4.194 -3.437 1.00 0.00 N ATOM 435 NH2 ARG A 25 -4.635 2.142 -4.469 1.00 0.00 N ATOM 0 H ARG A 25 2.611 4.879 0.349 1.00 0.00 H new ATOM 0 HA ARG A 25 1.091 5.169 -1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.459 3.671 0.181 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.257 5.150 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.268 4.050 -2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.844 2.662 -1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.972 4.208 -1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.401 5.075 -2.784 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.393 2.248 -3.366 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.632 4.949 -2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.906 4.245 -3.842 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.040 1.336 -4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.570 2.193 -4.874 1.00 0.00 H new ATOM 449 N LEU A 26 1.029 7.490 -1.007 1.00 0.00 N ATOM 450 CA LEU A 26 0.998 8.875 -0.570 1.00 0.00 C ATOM 451 C LEU A 26 -0.159 9.069 0.413 1.00 0.00 C ATOM 452 O LEU A 26 -1.263 8.579 0.182 1.00 0.00 O ATOM 453 CB LEU A 26 0.945 9.816 -1.774 1.00 0.00 C ATOM 454 CG LEU A 26 -0.066 10.962 -1.687 1.00 0.00 C ATOM 455 CD1 LEU A 26 0.423 12.053 -0.732 1.00 0.00 C ATOM 456 CD2 LEU A 26 -0.387 11.517 -3.076 1.00 0.00 C ATOM 0 H LEU A 26 1.252 7.359 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 26 1.915 9.127 -0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.937 10.244 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.719 9.225 -2.662 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.995 10.567 -1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.314 12.855 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.559 11.631 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.372 12.451 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.108 12.330 -2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.526 11.892 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.809 10.726 -3.695 1.00 0.00 H new ATOM 468 N TYR A 27 0.135 9.784 1.489 1.00 0.00 N ATOM 469 CA TYR A 27 -0.867 10.048 2.508 1.00 0.00 C ATOM 470 C TYR A 27 -1.869 11.101 2.031 1.00 0.00 C ATOM 471 O TYR A 27 -1.538 12.282 1.938 1.00 0.00 O ATOM 472 CB TYR A 27 -0.105 10.597 3.716 1.00 0.00 C ATOM 473 CG TYR A 27 -0.799 10.345 5.056 1.00 0.00 C ATOM 474 CD1 TYR A 27 -1.367 9.116 5.319 1.00 0.00 C ATOM 475 CD2 TYR A 27 -0.856 11.348 6.003 1.00 0.00 C ATOM 476 CE1 TYR A 27 -2.020 8.879 6.580 1.00 0.00 C ATOM 477 CE2 TYR A 27 -1.508 11.111 7.264 1.00 0.00 C ATOM 478 CZ TYR A 27 -2.058 9.888 7.491 1.00 0.00 C ATOM 479 OH TYR A 27 -2.675 9.664 8.682 1.00 0.00 O ATOM 0 H TYR A 27 1.052 10.189 1.677 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.425 9.141 2.742 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.887 10.147 3.742 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.035 11.670 3.587 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.322 8.331 4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.411 12.311 5.798 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.470 7.921 6.798 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.559 11.887 8.013 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.624 10.472 9.234 1.00 0.00 H new ATOM 489 N ASP A 28 -3.075 10.635 1.741 1.00 0.00 N ATOM 490 CA ASP A 28 -4.128 11.521 1.276 1.00 0.00 C ATOM 491 C ASP A 28 -5.096 11.805 2.427 1.00 0.00 C ATOM 492 O ASP A 28 -4.817 11.463 3.576 1.00 0.00 O ATOM 493 CB ASP A 28 -4.924 10.881 0.137 1.00 0.00 C ATOM 494 CG ASP A 28 -4.078 10.331 -1.013 1.00 0.00 C ATOM 495 OD1 ASP A 28 -3.148 11.055 -1.431 1.00 0.00 O ATOM 496 OD2 ASP A 28 -4.379 9.199 -1.448 1.00 0.00 O ATOM 0 H ASP A 28 -3.346 9.655 1.819 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.662 12.439 0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.526 10.069 0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.617 11.621 -0.263 1.00 0.00 H new ATOM 501 N GLU A 29 -6.213 12.426 2.080 1.00 0.00 N ATOM 502 CA GLU A 29 -7.223 12.759 3.069 1.00 0.00 C ATOM 503 C GLU A 29 -7.893 11.487 3.593 1.00 0.00 C ATOM 504 O GLU A 29 -8.114 11.348 4.795 1.00 0.00 O ATOM 505 CB GLU A 29 -8.259 13.726 2.492 1.00 0.00 C ATOM 506 CG GLU A 29 -7.730 15.162 2.496 1.00 0.00 C ATOM 507 CD GLU A 29 -8.589 16.065 1.607 1.00 0.00 C ATOM 508 OE1 GLU A 29 -9.595 16.588 2.133 1.00 0.00 O ATOM 509 OE2 GLU A 29 -8.219 16.211 0.422 1.00 0.00 O ATOM 0 H GLU A 29 -6.441 12.708 1.127 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.733 13.259 3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.511 13.430 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.178 13.671 3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.724 15.548 3.515 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.698 15.174 2.144 1.00 0.00 H new ATOM 516 N LYS A 30 -8.197 10.592 2.665 1.00 0.00 N ATOM 517 CA LYS A 30 -8.837 9.336 3.018 1.00 0.00 C ATOM 518 C LYS A 30 -7.900 8.525 3.914 1.00 0.00 C ATOM 519 O LYS A 30 -8.325 7.982 4.933 1.00 0.00 O ATOM 520 CB LYS A 30 -9.283 8.590 1.759 1.00 0.00 C ATOM 521 CG LYS A 30 -10.806 8.455 1.712 1.00 0.00 C ATOM 522 CD LYS A 30 -11.277 7.261 2.545 1.00 0.00 C ATOM 523 CE LYS A 30 -12.665 7.517 3.135 1.00 0.00 C ATOM 524 NZ LYS A 30 -13.705 6.843 2.326 1.00 0.00 N ATOM 0 H LYS A 30 -8.012 10.711 1.669 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.746 9.519 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.934 9.122 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.826 7.601 1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.267 9.369 2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.132 8.334 0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.302 6.366 1.923 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.566 7.071 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.703 7.154 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.860 8.589 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.641 7.027 2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.679 7.209 1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.527 5.818 2.315 1.00 0.00 H new ATOM 538 N ARG A 31 -6.641 8.469 3.503 1.00 0.00 N ATOM 539 CA ARG A 31 -5.640 7.733 4.256 1.00 0.00 C ATOM 540 C ARG A 31 -5.453 8.357 5.641 1.00 0.00 C ATOM 541 O ARG A 31 -5.148 7.657 6.605 1.00 0.00 O ATOM 542 CB ARG A 31 -4.297 7.723 3.523 1.00 0.00 C ATOM 543 CG ARG A 31 -3.770 6.295 3.365 1.00 0.00 C ATOM 544 CD ARG A 31 -4.539 5.543 2.278 1.00 0.00 C ATOM 545 NE ARG A 31 -4.305 6.177 0.961 1.00 0.00 N ATOM 546 CZ ARG A 31 -5.096 6.005 -0.106 1.00 0.00 C ATOM 547 NH1 ARG A 31 -6.178 5.219 -0.020 1.00 0.00 N ATOM 548 NH2 ARG A 31 -4.806 6.620 -1.261 1.00 0.00 N ATOM 0 H ARG A 31 -6.292 8.921 2.658 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.992 6.707 4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.411 8.183 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.573 8.323 4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.710 6.321 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.860 5.764 4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.221 4.501 2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.605 5.545 2.507 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.491 6.783 0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.400 4.751 0.859 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.780 5.089 -0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.983 7.219 -1.327 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.408 6.489 -2.074 1.00 0.00 H new ATOM 562 N ARG A 32 -5.643 9.667 5.695 1.00 0.00 N ATOM 563 CA ARG A 32 -5.499 10.393 6.945 1.00 0.00 C ATOM 564 C ARG A 32 -6.542 9.917 7.959 1.00 0.00 C ATOM 565 O ARG A 32 -6.238 9.760 9.140 1.00 0.00 O ATOM 566 CB ARG A 32 -5.658 11.899 6.729 1.00 0.00 C ATOM 567 CG ARG A 32 -4.298 12.572 6.534 1.00 0.00 C ATOM 568 CD ARG A 32 -4.450 14.089 6.411 1.00 0.00 C ATOM 569 NE ARG A 32 -4.179 14.732 7.716 1.00 0.00 N ATOM 570 CZ ARG A 32 -4.065 16.056 7.892 1.00 0.00 C ATOM 571 NH1 ARG A 32 -4.198 16.885 6.848 1.00 0.00 N ATOM 572 NH2 ARG A 32 -3.818 16.550 9.113 1.00 0.00 N ATOM 0 H ARG A 32 -5.895 10.244 4.893 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.498 10.196 7.329 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.286 12.080 5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.167 12.341 7.586 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.647 12.335 7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.818 12.177 5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.762 14.472 5.658 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.458 14.336 6.077 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.072 14.130 8.533 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.386 16.509 5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.111 17.892 6.982 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -3.717 15.919 9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.731 17.557 9.248 1.00 0.00 H new ATOM 586 N GLN A 33 -7.750 9.700 7.459 1.00 0.00 N ATOM 587 CA GLN A 33 -8.839 9.246 8.306 1.00 0.00 C ATOM 588 C GLN A 33 -8.594 7.805 8.758 1.00 0.00 C ATOM 589 O GLN A 33 -9.132 7.369 9.776 1.00 0.00 O ATOM 590 CB GLN A 33 -10.183 9.373 7.587 1.00 0.00 C ATOM 591 CG GLN A 33 -11.064 10.431 8.253 1.00 0.00 C ATOM 592 CD GLN A 33 -12.324 9.800 8.849 1.00 0.00 C ATOM 593 OE1 GLN A 33 -12.530 9.780 10.052 1.00 0.00 O ATOM 594 NE2 GLN A 33 -13.152 9.287 7.944 1.00 0.00 N ATOM 0 H GLN A 33 -7.998 9.830 6.478 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.875 9.883 9.190 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.017 9.638 6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.696 8.411 7.594 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.501 10.937 9.037 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.344 11.189 7.522 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.919 9.338 6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.021 8.843 8.241 1.00 0.00 H new ATOM 603 N ILE A 34 -7.781 7.104 7.981 1.00 0.00 N ATOM 604 CA ILE A 34 -7.458 5.722 8.289 1.00 0.00 C ATOM 605 C ILE A 34 -6.560 5.676 9.526 1.00 0.00 C ATOM 606 O ILE A 34 -5.680 6.520 9.691 1.00 0.00 O ATOM 607 CB ILE A 34 -6.856 5.027 7.066 1.00 0.00 C ATOM 608 CG1 ILE A 34 -7.895 4.881 5.952 1.00 0.00 C ATOM 609 CG2 ILE A 34 -6.234 3.683 7.450 1.00 0.00 C ATOM 610 CD1 ILE A 34 -7.349 4.033 4.801 1.00 0.00 C ATOM 0 H ILE A 34 -7.336 7.468 7.138 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.363 5.164 8.531 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.053 5.654 6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.799 4.420 6.351 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.176 5.866 5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.813 3.210 6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.445 3.844 8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.000 3.036 7.877 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.107 3.945 4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.459 4.509 4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.091 3.041 5.171 1.00 0.00 H new ATOM 622 N LYS A 35 -6.812 4.681 10.365 1.00 0.00 N ATOM 623 CA LYS A 35 -6.037 4.514 11.583 1.00 0.00 C ATOM 624 C LYS A 35 -5.923 3.024 11.909 1.00 0.00 C ATOM 625 O LYS A 35 -6.566 2.194 11.269 1.00 0.00 O ATOM 626 CB LYS A 35 -6.636 5.348 12.717 1.00 0.00 C ATOM 627 CG LYS A 35 -7.628 4.523 13.539 1.00 0.00 C ATOM 628 CD LYS A 35 -8.878 5.341 13.870 1.00 0.00 C ATOM 629 CE LYS A 35 -8.744 6.020 15.235 1.00 0.00 C ATOM 630 NZ LYS A 35 -7.678 7.046 15.200 1.00 0.00 N ATOM 0 H LYS A 35 -7.542 3.983 10.225 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.023 4.889 11.444 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.839 5.715 13.364 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.139 6.222 12.304 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.911 3.628 12.984 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.153 4.189 14.461 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.038 6.095 13.099 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.753 4.691 13.867 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.692 6.481 15.513 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.516 5.275 15.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.711 7.611 16.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.751 6.581 15.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.822 7.668 14.379 1.00 0.00 H new ATOM 644 N PRO A 36 -5.078 2.722 12.931 1.00 0.00 N ATOM 645 CA PRO A 36 -4.871 1.347 13.350 1.00 0.00 C ATOM 646 C PRO A 36 -6.071 0.829 14.144 1.00 0.00 C ATOM 647 O PRO A 36 -6.139 1.007 15.360 1.00 0.00 O ATOM 648 CB PRO A 36 -3.587 1.372 14.163 1.00 0.00 C ATOM 649 CG PRO A 36 -3.373 2.824 14.559 1.00 0.00 C ATOM 650 CD PRO A 36 -4.299 3.680 13.711 1.00 0.00 C ATOM 0 HA PRO A 36 -4.780 0.660 12.508 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -3.670 0.735 15.044 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.747 0.999 13.578 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.586 2.966 15.619 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.334 3.114 14.401 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.943 4.302 14.333 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.735 4.352 13.064 1.00 0.00 H new ATOM 658 N GLY A 37 -6.989 0.199 13.426 1.00 0.00 N ATOM 659 CA GLY A 37 -8.183 -0.346 14.049 1.00 0.00 C ATOM 660 C GLY A 37 -9.389 -0.234 13.113 1.00 0.00 C ATOM 661 O GLY A 37 -10.410 0.348 13.478 1.00 0.00 O ATOM 0 H GLY A 37 -6.930 0.054 12.418 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.017 -1.391 14.310 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.388 0.186 14.978 1.00 0.00 H new ATOM 665 N ASP A 38 -9.231 -0.800 11.926 1.00 0.00 N ATOM 666 CA ASP A 38 -10.294 -0.771 10.936 1.00 0.00 C ATOM 667 C ASP A 38 -10.026 -1.841 9.875 1.00 0.00 C ATOM 668 O ASP A 38 -9.011 -2.533 9.929 1.00 0.00 O ATOM 669 CB ASP A 38 -10.355 0.587 10.232 1.00 0.00 C ATOM 670 CG ASP A 38 -9.055 1.393 10.270 1.00 0.00 C ATOM 671 OD1 ASP A 38 -8.095 0.955 9.601 1.00 0.00 O ATOM 672 OD2 ASP A 38 -9.052 2.430 10.968 1.00 0.00 O ATOM 0 H ASP A 38 -8.383 -1.281 11.627 1.00 0.00 H new ATOM 0 HA ASP A 38 -11.238 -0.954 11.450 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.636 0.428 9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.147 1.181 10.688 1.00 0.00 H new ATOM 677 N VAL A 39 -10.956 -1.943 8.936 1.00 0.00 N ATOM 678 CA VAL A 39 -10.833 -2.917 7.865 1.00 0.00 C ATOM 679 C VAL A 39 -11.211 -2.259 6.537 1.00 0.00 C ATOM 680 O VAL A 39 -12.025 -1.338 6.506 1.00 0.00 O ATOM 681 CB VAL A 39 -11.678 -4.153 8.182 1.00 0.00 C ATOM 682 CG1 VAL A 39 -11.519 -5.219 7.096 1.00 0.00 C ATOM 683 CG2 VAL A 39 -11.329 -4.717 9.560 1.00 0.00 C ATOM 0 H VAL A 39 -11.797 -1.367 8.895 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.802 -3.259 7.776 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.724 -3.848 8.201 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.130 -6.087 7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.841 -4.812 6.137 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.473 -5.518 7.030 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.944 -5.595 9.760 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.276 -4.999 9.582 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.518 -3.960 10.321 1.00 0.00 H new ATOM 693 N ILE A 40 -10.601 -2.757 5.471 1.00 0.00 N ATOM 694 CA ILE A 40 -10.863 -2.228 4.144 1.00 0.00 C ATOM 695 C ILE A 40 -11.239 -3.378 3.207 1.00 0.00 C ATOM 696 O ILE A 40 -10.562 -4.405 3.176 1.00 0.00 O ATOM 697 CB ILE A 40 -9.675 -1.398 3.653 1.00 0.00 C ATOM 698 CG1 ILE A 40 -9.238 -0.386 4.714 1.00 0.00 C ATOM 699 CG2 ILE A 40 -9.991 -0.726 2.316 1.00 0.00 C ATOM 700 CD1 ILE A 40 -7.716 -0.225 4.724 1.00 0.00 C ATOM 0 H ILE A 40 -9.926 -3.521 5.500 1.00 0.00 H new ATOM 0 HA ILE A 40 -11.711 -1.544 4.167 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.834 -2.071 3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.708 0.578 4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.579 -0.713 5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.130 -0.142 1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.217 -1.488 1.570 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -10.852 -0.068 2.434 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -7.432 0.500 5.487 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.250 -1.185 4.944 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.381 0.126 3.748 1.00 0.00 H new ATOM 712 N SER A 41 -12.316 -3.167 2.465 1.00 0.00 N ATOM 713 CA SER A 41 -12.790 -4.173 1.530 1.00 0.00 C ATOM 714 C SER A 41 -12.429 -3.768 0.099 1.00 0.00 C ATOM 715 O SER A 41 -12.778 -2.676 -0.348 1.00 0.00 O ATOM 716 CB SER A 41 -14.300 -4.377 1.659 1.00 0.00 C ATOM 717 OG SER A 41 -15.031 -3.542 0.764 1.00 0.00 O ATOM 0 H SER A 41 -12.874 -2.314 2.492 1.00 0.00 H new ATOM 0 HA SER A 41 -12.302 -5.118 1.768 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.543 -5.421 1.461 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.608 -4.167 2.683 1.00 0.00 H new ATOM 0 HG SER A 41 -15.872 -3.982 0.519 1.00 0.00 H new ATOM 723 N PHE A 42 -11.735 -4.669 -0.580 1.00 0.00 N ATOM 724 CA PHE A 42 -11.324 -4.420 -1.951 1.00 0.00 C ATOM 725 C PHE A 42 -12.239 -5.147 -2.939 1.00 0.00 C ATOM 726 O PHE A 42 -12.431 -6.357 -2.837 1.00 0.00 O ATOM 727 CB PHE A 42 -9.901 -4.963 -2.097 1.00 0.00 C ATOM 728 CG PHE A 42 -8.832 -4.096 -1.430 1.00 0.00 C ATOM 729 CD1 PHE A 42 -8.943 -3.773 -0.113 1.00 0.00 C ATOM 730 CD2 PHE A 42 -7.771 -3.647 -2.153 1.00 0.00 C ATOM 731 CE1 PHE A 42 -7.951 -2.968 0.507 1.00 0.00 C ATOM 732 CE2 PHE A 42 -6.779 -2.842 -1.533 1.00 0.00 C ATOM 733 CZ PHE A 42 -6.890 -2.519 -0.217 1.00 0.00 C ATOM 0 H PHE A 42 -11.447 -5.573 -0.206 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.376 -3.353 -2.167 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.860 -5.965 -1.670 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.667 -5.059 -3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.786 -4.129 0.461 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.683 -3.903 -3.199 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.039 -2.712 1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.936 -2.486 -2.107 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.136 -1.906 0.254 1.00 0.00 H new ATOM 743 N GLU A 43 -12.778 -4.377 -3.873 1.00 0.00 N ATOM 744 CA GLU A 43 -13.668 -4.933 -4.879 1.00 0.00 C ATOM 745 C GLU A 43 -14.945 -5.462 -4.223 1.00 0.00 C ATOM 746 O GLU A 43 -15.439 -6.527 -4.589 1.00 0.00 O ATOM 747 CB GLU A 43 -12.969 -6.031 -5.683 1.00 0.00 C ATOM 748 CG GLU A 43 -11.886 -5.442 -6.589 1.00 0.00 C ATOM 749 CD GLU A 43 -12.496 -4.857 -7.865 1.00 0.00 C ATOM 750 OE1 GLU A 43 -13.132 -5.643 -8.601 1.00 0.00 O ATOM 751 OE2 GLU A 43 -12.313 -3.639 -8.075 1.00 0.00 O ATOM 0 H GLU A 43 -12.616 -3.373 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.942 -4.139 -5.573 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.524 -6.757 -5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.701 -6.567 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.341 -4.665 -6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.164 -6.216 -6.849 1.00 0.00 H new ATOM 758 N GLY A 44 -15.443 -4.693 -3.266 1.00 0.00 N ATOM 759 CA GLY A 44 -16.653 -5.071 -2.556 1.00 0.00 C ATOM 760 C GLY A 44 -16.320 -5.831 -1.270 1.00 0.00 C ATOM 761 O GLY A 44 -16.638 -5.373 -0.174 1.00 0.00 O ATOM 0 H GLY A 44 -15.031 -3.810 -2.966 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.232 -4.179 -2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.277 -5.692 -3.199 1.00 0.00 H new ATOM 765 N GLY A 45 -15.684 -6.979 -1.448 1.00 0.00 N ATOM 766 CA GLY A 45 -15.304 -7.807 -0.316 1.00 0.00 C ATOM 767 C GLY A 45 -14.400 -8.960 -0.758 1.00 0.00 C ATOM 768 O GLY A 45 -14.395 -10.022 -0.138 1.00 0.00 O ATOM 0 H GLY A 45 -15.422 -7.356 -2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.787 -7.199 0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.198 -8.205 0.164 1.00 0.00 H new ATOM 772 N LYS A 46 -13.658 -8.711 -1.826 1.00 0.00 N ATOM 773 CA LYS A 46 -12.752 -9.715 -2.359 1.00 0.00 C ATOM 774 C LYS A 46 -11.503 -9.787 -1.478 1.00 0.00 C ATOM 775 O LYS A 46 -10.983 -10.872 -1.220 1.00 0.00 O ATOM 776 CB LYS A 46 -12.450 -9.436 -3.832 1.00 0.00 C ATOM 777 CG LYS A 46 -12.147 -10.734 -4.585 1.00 0.00 C ATOM 778 CD LYS A 46 -10.645 -10.888 -4.830 1.00 0.00 C ATOM 779 CE LYS A 46 -10.365 -12.014 -5.827 1.00 0.00 C ATOM 780 NZ LYS A 46 -10.781 -13.319 -5.265 1.00 0.00 N ATOM 0 H LYS A 46 -13.665 -7.828 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.218 -10.700 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -13.301 -8.934 -4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.600 -8.759 -3.911 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.515 -11.585 -4.012 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.677 -10.738 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.237 -9.951 -5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.139 -11.097 -3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.900 -11.825 -6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.302 -12.038 -6.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.492 -14.082 -5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.329 -13.458 -4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.815 -13.334 -5.151 1.00 0.00 H new ATOM 794 N LEU A 47 -11.058 -8.619 -1.040 1.00 0.00 N ATOM 795 CA LEU A 47 -9.880 -8.536 -0.193 1.00 0.00 C ATOM 796 C LEU A 47 -10.194 -7.667 1.026 1.00 0.00 C ATOM 797 O LEU A 47 -10.487 -6.480 0.888 1.00 0.00 O ATOM 798 CB LEU A 47 -8.674 -8.052 -1.000 1.00 0.00 C ATOM 799 CG LEU A 47 -7.440 -8.956 -0.970 1.00 0.00 C ATOM 800 CD1 LEU A 47 -6.762 -8.913 0.401 1.00 0.00 C ATOM 801 CD2 LEU A 47 -7.797 -10.384 -1.388 1.00 0.00 C ATOM 0 H LEU A 47 -11.492 -7.722 -1.256 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.609 -9.523 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.983 -7.927 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.387 -7.067 -0.632 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.721 -8.577 -1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.888 -9.564 0.395 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.452 -7.892 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.462 -9.253 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.903 -11.006 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.543 -10.788 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.200 -10.377 -2.401 1.00 0.00 H new ATOM 813 N LYS A 48 -10.122 -8.292 2.193 1.00 0.00 N ATOM 814 CA LYS A 48 -10.394 -7.590 3.435 1.00 0.00 C ATOM 815 C LYS A 48 -9.095 -7.448 4.231 1.00 0.00 C ATOM 816 O LYS A 48 -8.547 -8.438 4.713 1.00 0.00 O ATOM 817 CB LYS A 48 -11.516 -8.286 4.209 1.00 0.00 C ATOM 818 CG LYS A 48 -12.664 -8.678 3.276 1.00 0.00 C ATOM 819 CD LYS A 48 -13.443 -7.444 2.816 1.00 0.00 C ATOM 820 CE LYS A 48 -14.950 -7.661 2.965 1.00 0.00 C ATOM 821 NZ LYS A 48 -15.335 -7.662 4.394 1.00 0.00 N ATOM 0 H LYS A 48 -9.879 -9.276 2.304 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.755 -6.582 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.124 -9.175 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.888 -7.624 4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.268 -9.207 2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.336 -9.366 3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.137 -6.577 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.204 -7.226 1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.490 -6.875 2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.234 -8.607 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.366 -7.555 4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.045 -8.560 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.865 -6.872 4.881 1.00 0.00 H new ATOM 835 N VAL A 49 -8.641 -6.208 4.345 1.00 0.00 N ATOM 836 CA VAL A 49 -7.417 -5.924 5.074 1.00 0.00 C ATOM 837 C VAL A 49 -7.749 -5.091 6.314 1.00 0.00 C ATOM 838 O VAL A 49 -8.735 -4.356 6.327 1.00 0.00 O ATOM 839 CB VAL A 49 -6.404 -5.244 4.151 1.00 0.00 C ATOM 840 CG1 VAL A 49 -6.142 -6.092 2.905 1.00 0.00 C ATOM 841 CG2 VAL A 49 -6.869 -3.837 3.769 1.00 0.00 C ATOM 0 H VAL A 49 -9.099 -5.389 3.945 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.954 -6.849 5.418 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.465 -5.150 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.419 -5.586 2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.746 -7.063 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.074 -6.232 2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.131 -3.376 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.827 -3.898 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.981 -3.234 4.670 1.00 0.00 H new ATOM 851 N ARG A 50 -6.907 -5.235 7.327 1.00 0.00 N ATOM 852 CA ARG A 50 -7.098 -4.506 8.569 1.00 0.00 C ATOM 853 C ARG A 50 -5.823 -3.747 8.941 1.00 0.00 C ATOM 854 O ARG A 50 -4.796 -4.359 9.235 1.00 0.00 O ATOM 855 CB ARG A 50 -7.473 -5.452 9.712 1.00 0.00 C ATOM 856 CG ARG A 50 -7.184 -4.812 11.071 1.00 0.00 C ATOM 857 CD ARG A 50 -7.764 -5.655 12.208 1.00 0.00 C ATOM 858 NE ARG A 50 -6.687 -6.060 13.138 1.00 0.00 N ATOM 859 CZ ARG A 50 -6.114 -5.238 14.029 1.00 0.00 C ATOM 860 NH1 ARG A 50 -6.513 -3.962 14.115 1.00 0.00 N ATOM 861 NH2 ARG A 50 -5.143 -5.693 14.832 1.00 0.00 N ATOM 0 H ARG A 50 -6.091 -5.846 7.313 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.914 -3.799 8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.530 -5.709 9.644 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.913 -6.382 9.618 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -6.108 -4.705 11.205 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.610 -3.809 11.103 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.523 -5.085 12.744 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.256 -6.539 11.802 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.360 -7.025 13.099 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.252 -3.616 13.503 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.078 -3.336 14.793 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.840 -6.665 14.766 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.707 -5.068 15.510 1.00 0.00 H new ATOM 875 N VAL A 51 -5.929 -2.427 8.917 1.00 0.00 N ATOM 876 CA VAL A 51 -4.797 -1.579 9.249 1.00 0.00 C ATOM 877 C VAL A 51 -4.189 -2.042 10.574 1.00 0.00 C ATOM 878 O VAL A 51 -4.905 -2.235 11.555 1.00 0.00 O ATOM 879 CB VAL A 51 -5.230 -0.112 9.270 1.00 0.00 C ATOM 880 CG1 VAL A 51 -4.096 0.788 9.765 1.00 0.00 C ATOM 881 CG2 VAL A 51 -5.722 0.334 7.891 1.00 0.00 C ATOM 0 H VAL A 51 -6.782 -1.924 8.673 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.021 -1.664 8.488 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.061 -0.018 9.969 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.431 1.825 9.770 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.812 0.493 10.775 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.236 0.687 9.103 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.024 1.381 7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.919 0.217 7.163 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.574 -0.277 7.593 1.00 0.00 H new ATOM 891 N LYS A 52 -2.875 -2.206 10.561 1.00 0.00 N ATOM 892 CA LYS A 52 -2.163 -2.642 11.750 1.00 0.00 C ATOM 893 C LYS A 52 -1.502 -1.434 12.416 1.00 0.00 C ATOM 894 O LYS A 52 -1.552 -1.289 13.637 1.00 0.00 O ATOM 895 CB LYS A 52 -1.183 -3.766 11.406 1.00 0.00 C ATOM 896 CG LYS A 52 -1.855 -5.135 11.527 1.00 0.00 C ATOM 897 CD LYS A 52 -1.891 -5.600 12.984 1.00 0.00 C ATOM 898 CE LYS A 52 -0.493 -5.981 13.474 1.00 0.00 C ATOM 899 NZ LYS A 52 -0.319 -7.451 13.455 1.00 0.00 N ATOM 0 H LYS A 52 -2.284 -2.045 9.745 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.858 -3.066 12.475 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.809 -3.629 10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.322 -3.719 12.073 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.870 -5.082 11.133 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.316 -5.864 10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.297 -4.807 13.612 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.559 -6.456 13.080 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.261 -5.512 12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.341 -5.604 14.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.635 -7.692 13.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.026 -7.892 14.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.444 -7.803 12.484 1.00 0.00 H new ATOM 913 N ALA A 53 -0.899 -0.596 11.585 1.00 0.00 N ATOM 914 CA ALA A 53 -0.230 0.595 12.079 1.00 0.00 C ATOM 915 C ALA A 53 -0.022 1.574 10.921 1.00 0.00 C ATOM 916 O ALA A 53 -0.180 1.208 9.758 1.00 0.00 O ATOM 917 CB ALA A 53 1.086 0.200 12.752 1.00 0.00 C ATOM 0 H ALA A 53 -0.860 -0.719 10.573 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.842 1.096 12.829 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.588 1.094 13.123 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.881 -0.473 13.585 1.00 0.00 H new ATOM 0 HB3 ALA A 53 1.728 -0.303 12.029 1.00 0.00 H new ATOM 923 N ILE A 54 0.330 2.800 11.281 1.00 0.00 N ATOM 924 CA ILE A 54 0.562 3.834 10.287 1.00 0.00 C ATOM 925 C ILE A 54 1.997 4.348 10.417 1.00 0.00 C ATOM 926 O ILE A 54 2.562 4.353 11.509 1.00 0.00 O ATOM 927 CB ILE A 54 -0.497 4.933 10.400 1.00 0.00 C ATOM 928 CG1 ILE A 54 -0.954 5.399 9.017 1.00 0.00 C ATOM 929 CG2 ILE A 54 0.007 6.094 11.259 1.00 0.00 C ATOM 930 CD1 ILE A 54 -2.105 4.535 8.499 1.00 0.00 C ATOM 0 H ILE A 54 0.460 3.100 12.247 1.00 0.00 H new ATOM 0 HA ILE A 54 0.459 3.426 9.282 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.369 4.516 10.903 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.271 6.441 9.067 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.118 5.353 8.319 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.765 6.861 11.323 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.242 5.731 12.260 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.904 6.518 10.807 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.410 4.888 7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.778 3.498 8.427 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.948 4.602 9.186 1.00 0.00 H new ATOM 942 N ARG A 55 2.546 4.768 9.286 1.00 0.00 N ATOM 943 CA ARG A 55 3.904 5.282 9.259 1.00 0.00 C ATOM 944 C ARG A 55 4.067 6.293 8.123 1.00 0.00 C ATOM 945 O ARG A 55 3.464 6.142 7.062 1.00 0.00 O ATOM 946 CB ARG A 55 4.918 4.151 9.075 1.00 0.00 C ATOM 947 CG ARG A 55 5.417 3.636 10.426 1.00 0.00 C ATOM 948 CD ARG A 55 6.913 3.905 10.597 1.00 0.00 C ATOM 949 NE ARG A 55 7.218 4.186 12.018 1.00 0.00 N ATOM 950 CZ ARG A 55 7.234 3.255 12.981 1.00 0.00 C ATOM 951 NH1 ARG A 55 6.963 1.977 12.682 1.00 0.00 N ATOM 952 NH2 ARG A 55 7.521 3.601 14.244 1.00 0.00 N ATOM 0 H ARG A 55 2.074 4.762 8.382 1.00 0.00 H new ATOM 0 HA ARG A 55 4.092 5.771 10.215 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.460 3.334 8.517 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.762 4.507 8.484 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.863 4.119 11.231 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.225 2.566 10.505 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.487 3.043 10.257 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.212 4.751 9.978 1.00 0.00 H new ATOM 0 HE ARG A 55 7.429 5.149 12.280 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.745 1.713 11.721 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.975 1.268 13.415 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.727 4.574 14.472 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.533 2.892 14.977 1.00 0.00 H new ATOM 966 N VAL A 56 4.884 7.303 8.384 1.00 0.00 N ATOM 967 CA VAL A 56 5.134 8.339 7.397 1.00 0.00 C ATOM 968 C VAL A 56 6.640 8.461 7.161 1.00 0.00 C ATOM 969 O VAL A 56 7.430 8.351 8.098 1.00 0.00 O ATOM 970 CB VAL A 56 4.490 9.653 7.843 1.00 0.00 C ATOM 971 CG1 VAL A 56 4.340 10.619 6.666 1.00 0.00 C ATOM 972 CG2 VAL A 56 3.141 9.401 8.520 1.00 0.00 C ATOM 0 H VAL A 56 5.382 7.426 9.266 1.00 0.00 H new ATOM 0 HA VAL A 56 4.677 8.076 6.443 1.00 0.00 H new ATOM 0 HB VAL A 56 5.151 10.117 8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.880 11.545 7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.322 10.837 6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.711 10.165 5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.705 10.352 8.827 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.470 8.903 7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.286 8.768 9.396 1.00 0.00 H new ATOM 982 N TYR A 57 6.994 8.687 5.905 1.00 0.00 N ATOM 983 CA TYR A 57 8.392 8.826 5.534 1.00 0.00 C ATOM 984 C TYR A 57 8.636 10.143 4.795 1.00 0.00 C ATOM 985 O TYR A 57 7.702 10.907 4.556 1.00 0.00 O ATOM 986 CB TYR A 57 8.696 7.661 4.590 1.00 0.00 C ATOM 987 CG TYR A 57 8.718 6.293 5.276 1.00 0.00 C ATOM 988 CD1 TYR A 57 7.547 5.739 5.749 1.00 0.00 C ATOM 989 CD2 TYR A 57 9.911 5.614 5.421 1.00 0.00 C ATOM 990 CE1 TYR A 57 7.568 4.452 6.395 1.00 0.00 C ATOM 991 CE2 TYR A 57 9.932 4.327 6.066 1.00 0.00 C ATOM 992 CZ TYR A 57 8.760 3.810 6.522 1.00 0.00 C ATOM 993 OH TYR A 57 8.780 2.594 7.131 1.00 0.00 O ATOM 0 H TYR A 57 6.336 8.777 5.130 1.00 0.00 H new ATOM 0 HA TYR A 57 9.026 8.822 6.421 1.00 0.00 H new ATOM 0 HB2 TYR A 57 7.949 7.646 3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.662 7.834 4.116 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.614 6.271 5.635 1.00 0.00 H new ATOM 0 HD2 TYR A 57 10.828 6.048 5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.658 4.007 6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 57 10.858 3.784 6.185 1.00 0.00 H new ATOM 0 HH TYR A 57 7.926 2.138 6.980 1.00 0.00 H new ATOM 1003 N ASN A 58 9.896 10.368 4.453 1.00 0.00 N ATOM 1004 CA ASN A 58 10.274 11.580 3.745 1.00 0.00 C ATOM 1005 C ASN A 58 9.841 11.467 2.282 1.00 0.00 C ATOM 1006 O ASN A 58 9.273 12.406 1.725 1.00 0.00 O ATOM 1007 CB ASN A 58 11.790 11.784 3.775 1.00 0.00 C ATOM 1008 CG ASN A 58 12.153 13.090 4.486 1.00 0.00 C ATOM 1009 OD1 ASN A 58 11.319 13.944 4.736 1.00 0.00 O ATOM 1010 ND2 ASN A 58 13.442 13.195 4.797 1.00 0.00 N ATOM 0 H ASN A 58 10.668 9.732 4.653 1.00 0.00 H new ATOM 0 HA ASN A 58 9.786 12.423 4.235 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.264 10.945 4.284 1.00 0.00 H new ATOM 0 HB3 ASN A 58 12.179 11.800 2.757 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.785 14.029 5.274 1.00 0.00 H new ATOM 0 HD22 ASN A 58 14.087 12.442 4.558 1.00 0.00 H new ATOM 1017 N SER A 59 10.125 10.311 1.702 1.00 0.00 N ATOM 1018 CA SER A 59 9.771 10.063 0.314 1.00 0.00 C ATOM 1019 C SER A 59 9.717 8.558 0.048 1.00 0.00 C ATOM 1020 O SER A 59 10.312 7.772 0.784 1.00 0.00 O ATOM 1021 CB SER A 59 10.766 10.734 -0.636 1.00 0.00 C ATOM 1022 OG SER A 59 10.243 10.859 -1.955 1.00 0.00 O ATOM 0 H SER A 59 10.596 9.535 2.167 1.00 0.00 H new ATOM 0 HA SER A 59 8.787 10.493 0.130 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.023 11.721 -0.253 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.688 10.153 -0.665 1.00 0.00 H new ATOM 0 HG SER A 59 10.907 11.293 -2.530 1.00 0.00 H new ATOM 1028 N PHE A 60 8.997 8.201 -1.005 1.00 0.00 N ATOM 1029 CA PHE A 60 8.857 6.803 -1.377 1.00 0.00 C ATOM 1030 C PHE A 60 10.225 6.130 -1.504 1.00 0.00 C ATOM 1031 O PHE A 60 10.364 4.940 -1.225 1.00 0.00 O ATOM 1032 CB PHE A 60 8.158 6.770 -2.738 1.00 0.00 C ATOM 1033 CG PHE A 60 6.746 6.181 -2.697 1.00 0.00 C ATOM 1034 CD1 PHE A 60 6.555 4.902 -2.277 1.00 0.00 C ATOM 1035 CD2 PHE A 60 5.683 6.937 -3.082 1.00 0.00 C ATOM 1036 CE1 PHE A 60 5.245 4.355 -2.240 1.00 0.00 C ATOM 1037 CE2 PHE A 60 4.373 6.391 -3.044 1.00 0.00 C ATOM 1038 CZ PHE A 60 4.181 5.111 -2.624 1.00 0.00 C ATOM 0 H PHE A 60 8.504 8.855 -1.613 1.00 0.00 H new ATOM 0 HA PHE A 60 8.289 6.270 -0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 60 8.106 7.784 -3.133 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.764 6.188 -3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.400 4.302 -1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.835 7.953 -3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.093 3.339 -1.907 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.529 6.992 -3.348 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.185 4.695 -2.595 1.00 0.00 H new ATOM 1048 N ARG A 61 11.202 6.921 -1.925 1.00 0.00 N ATOM 1049 CA ARG A 61 12.554 6.416 -2.093 1.00 0.00 C ATOM 1050 C ARG A 61 13.098 5.903 -0.758 1.00 0.00 C ATOM 1051 O ARG A 61 13.759 4.867 -0.710 1.00 0.00 O ATOM 1052 CB ARG A 61 13.485 7.504 -2.631 1.00 0.00 C ATOM 1053 CG ARG A 61 14.620 6.896 -3.457 1.00 0.00 C ATOM 1054 CD ARG A 61 15.884 6.727 -2.611 1.00 0.00 C ATOM 1055 NE ARG A 61 16.771 7.898 -2.788 1.00 0.00 N ATOM 1056 CZ ARG A 61 17.626 8.046 -3.809 1.00 0.00 C ATOM 1057 NH1 ARG A 61 17.715 7.097 -4.751 1.00 0.00 N ATOM 1058 NH2 ARG A 61 18.393 9.142 -3.888 1.00 0.00 N ATOM 0 H ARG A 61 11.084 7.908 -2.155 1.00 0.00 H new ATOM 0 HA ARG A 61 12.516 5.598 -2.812 1.00 0.00 H new ATOM 0 HB2 ARG A 61 12.917 8.202 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 61 13.900 8.075 -1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 61 14.310 5.928 -3.851 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.834 7.535 -4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.616 6.619 -1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.408 5.816 -2.902 1.00 0.00 H new ATOM 0 HE ARG A 61 16.729 8.639 -2.089 1.00 0.00 H new ATOM 0 HH11 ARG A 61 17.132 6.262 -4.691 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.366 7.209 -5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.326 9.864 -3.171 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.044 9.254 -4.665 1.00 0.00 H new ATOM 1072 N GLU A 62 12.800 6.652 0.293 1.00 0.00 N ATOM 1073 CA GLU A 62 13.251 6.286 1.625 1.00 0.00 C ATOM 1074 C GLU A 62 12.478 5.066 2.131 1.00 0.00 C ATOM 1075 O GLU A 62 12.991 4.292 2.937 1.00 0.00 O ATOM 1076 CB GLU A 62 13.112 7.462 2.594 1.00 0.00 C ATOM 1077 CG GLU A 62 14.433 8.225 2.723 1.00 0.00 C ATOM 1078 CD GLU A 62 14.589 8.817 4.125 1.00 0.00 C ATOM 1079 OE1 GLU A 62 14.618 8.012 5.081 1.00 0.00 O ATOM 1080 OE2 GLU A 62 14.675 10.061 4.209 1.00 0.00 O ATOM 0 H GLU A 62 12.252 7.511 0.249 1.00 0.00 H new ATOM 0 HA GLU A 62 14.308 6.026 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.331 8.137 2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.802 7.097 3.573 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.266 7.555 2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.470 9.023 1.981 1.00 0.00 H new ATOM 1087 N MET A 63 11.257 4.932 1.635 1.00 0.00 N ATOM 1088 CA MET A 63 10.408 3.819 2.026 1.00 0.00 C ATOM 1089 C MET A 63 10.855 2.524 1.345 1.00 0.00 C ATOM 1090 O MET A 63 10.977 1.487 1.996 1.00 0.00 O ATOM 1091 CB MET A 63 8.958 4.123 1.644 1.00 0.00 C ATOM 1092 CG MET A 63 8.191 4.713 2.829 1.00 0.00 C ATOM 1093 SD MET A 63 6.467 4.263 2.725 1.00 0.00 S ATOM 1094 CE MET A 63 6.289 4.124 0.954 1.00 0.00 C ATOM 0 H MET A 63 10.835 5.576 0.966 1.00 0.00 H new ATOM 0 HA MET A 63 10.488 3.687 3.105 1.00 0.00 H new ATOM 0 HB2 MET A 63 8.937 4.822 0.808 1.00 0.00 H new ATOM 0 HB3 MET A 63 8.468 3.210 1.307 1.00 0.00 H new ATOM 0 HG2 MET A 63 8.615 4.349 3.765 1.00 0.00 H new ATOM 0 HG3 MET A 63 8.292 5.798 2.834 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.242 4.255 0.682 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.889 4.892 0.467 1.00 0.00 H new ATOM 0 HE3 MET A 63 6.628 3.140 0.630 1.00 0.00 H new ATOM 1104 N LEU A 64 11.086 2.625 0.045 1.00 0.00 N ATOM 1105 CA LEU A 64 11.516 1.475 -0.731 1.00 0.00 C ATOM 1106 C LEU A 64 12.927 1.072 -0.298 1.00 0.00 C ATOM 1107 O LEU A 64 13.267 -0.111 -0.297 1.00 0.00 O ATOM 1108 CB LEU A 64 11.391 1.761 -2.229 1.00 0.00 C ATOM 1109 CG LEU A 64 10.058 2.355 -2.689 1.00 0.00 C ATOM 1110 CD1 LEU A 64 10.277 3.650 -3.473 1.00 0.00 C ATOM 1111 CD2 LEU A 64 9.248 1.332 -3.487 1.00 0.00 C ATOM 0 H LEU A 64 10.983 3.487 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 64 10.866 0.621 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.189 2.445 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.558 0.831 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 64 9.474 2.609 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.314 4.052 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.784 4.378 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.890 3.445 -4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.305 1.780 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.815 1.024 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.046 0.462 -2.863 1.00 0.00 H new ATOM 1123 N GLU A 65 13.712 2.078 0.059 1.00 0.00 N ATOM 1124 CA GLU A 65 15.079 1.843 0.494 1.00 0.00 C ATOM 1125 C GLU A 65 15.095 1.298 1.923 1.00 0.00 C ATOM 1126 O GLU A 65 15.775 0.313 2.208 1.00 0.00 O ATOM 1127 CB GLU A 65 15.916 3.119 0.383 1.00 0.00 C ATOM 1128 CG GLU A 65 16.108 3.524 -1.080 1.00 0.00 C ATOM 1129 CD GLU A 65 17.539 3.242 -1.543 1.00 0.00 C ATOM 1130 OE1 GLU A 65 18.079 2.200 -1.114 1.00 0.00 O ATOM 1131 OE2 GLU A 65 18.060 4.075 -2.315 1.00 0.00 O ATOM 0 H GLU A 65 13.428 3.058 0.056 1.00 0.00 H new ATOM 0 HA GLU A 65 15.526 1.097 -0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.427 3.927 0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 65 16.888 2.962 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.404 2.977 -1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.885 4.584 -1.200 1.00 0.00 H new ATOM 1138 N LYS A 66 14.339 1.963 2.785 1.00 0.00 N ATOM 1139 CA LYS A 66 14.259 1.558 4.178 1.00 0.00 C ATOM 1140 C LYS A 66 13.318 0.358 4.302 1.00 0.00 C ATOM 1141 O LYS A 66 13.749 -0.741 4.646 1.00 0.00 O ATOM 1142 CB LYS A 66 13.862 2.744 5.059 1.00 0.00 C ATOM 1143 CG LYS A 66 14.345 2.545 6.497 1.00 0.00 C ATOM 1144 CD LYS A 66 13.703 3.567 7.437 1.00 0.00 C ATOM 1145 CE LYS A 66 14.017 4.996 6.991 1.00 0.00 C ATOM 1146 NZ LYS A 66 13.472 5.973 7.959 1.00 0.00 N ATOM 0 H LYS A 66 13.777 2.779 2.545 1.00 0.00 H new ATOM 0 HA LYS A 66 15.236 1.236 4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 66 14.287 3.662 4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.779 2.863 5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 66 14.101 1.536 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 66 15.430 2.640 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.623 3.418 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.067 3.411 8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.095 5.127 6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.591 5.177 6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.694 6.938 7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 12.440 5.859 8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.898 5.810 8.894 1.00 0.00 H new ATOM 1160 N GLU A 67 12.049 0.609 4.014 1.00 0.00 N ATOM 1161 CA GLU A 67 11.043 -0.437 4.088 1.00 0.00 C ATOM 1162 C GLU A 67 11.431 -1.612 3.188 1.00 0.00 C ATOM 1163 O GLU A 67 11.417 -2.763 3.623 1.00 0.00 O ATOM 1164 CB GLU A 67 9.661 0.104 3.718 1.00 0.00 C ATOM 1165 CG GLU A 67 8.571 -0.542 4.577 1.00 0.00 C ATOM 1166 CD GLU A 67 8.539 0.074 5.977 1.00 0.00 C ATOM 1167 OE1 GLU A 67 9.531 -0.131 6.710 1.00 0.00 O ATOM 1168 OE2 GLU A 67 7.524 0.735 6.283 1.00 0.00 O ATOM 0 H GLU A 67 11.695 1.522 3.729 1.00 0.00 H new ATOM 0 HA GLU A 67 10.994 -0.794 5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.642 1.185 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.461 -0.090 2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.601 -0.413 4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.750 -1.615 4.652 1.00 0.00 H new ATOM 1175 N GLY A 68 11.769 -1.281 1.951 1.00 0.00 N ATOM 1176 CA GLY A 68 12.161 -2.294 0.986 1.00 0.00 C ATOM 1177 C GLY A 68 11.349 -2.165 -0.305 1.00 0.00 C ATOM 1178 O GLY A 68 10.119 -2.166 -0.272 1.00 0.00 O ATOM 0 H GLY A 68 11.780 -0.325 1.594 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.223 -2.197 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.015 -3.286 1.414 1.00 0.00 H new ATOM 1182 N LEU A 69 12.070 -2.057 -1.411 1.00 0.00 N ATOM 1183 CA LEU A 69 11.432 -1.927 -2.710 1.00 0.00 C ATOM 1184 C LEU A 69 10.437 -3.074 -2.902 1.00 0.00 C ATOM 1185 O LEU A 69 9.241 -2.842 -3.070 1.00 0.00 O ATOM 1186 CB LEU A 69 12.484 -1.833 -3.817 1.00 0.00 C ATOM 1187 CG LEU A 69 11.953 -1.868 -5.252 1.00 0.00 C ATOM 1188 CD1 LEU A 69 11.054 -0.662 -5.533 1.00 0.00 C ATOM 1189 CD2 LEU A 69 13.100 -1.975 -6.258 1.00 0.00 C ATOM 0 H LEU A 69 13.090 -2.057 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 69 10.863 -0.999 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.045 -0.908 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.189 -2.655 -3.691 1.00 0.00 H new ATOM 0 HG LEU A 69 11.339 -2.761 -5.368 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.690 -0.711 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.207 -0.672 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.624 0.257 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.695 -1.998 -7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.760 -1.114 -6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.663 -2.889 -6.072 1.00 0.00 H new ATOM 1201 N GLU A 70 10.969 -4.287 -2.871 1.00 0.00 N ATOM 1202 CA GLU A 70 10.144 -5.471 -3.040 1.00 0.00 C ATOM 1203 C GLU A 70 9.222 -5.651 -1.833 1.00 0.00 C ATOM 1204 O GLU A 70 8.295 -6.459 -1.870 1.00 0.00 O ATOM 1205 CB GLU A 70 11.007 -6.714 -3.261 1.00 0.00 C ATOM 1206 CG GLU A 70 11.089 -7.067 -4.748 1.00 0.00 C ATOM 1207 CD GLU A 70 11.937 -8.323 -4.967 1.00 0.00 C ATOM 1208 OE1 GLU A 70 13.174 -8.165 -5.043 1.00 0.00 O ATOM 1209 OE2 GLU A 70 11.327 -9.410 -5.053 1.00 0.00 O ATOM 0 H GLU A 70 11.962 -4.475 -2.731 1.00 0.00 H new ATOM 0 HA GLU A 70 9.526 -5.336 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.009 -6.540 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.589 -7.554 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.086 -7.227 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.520 -6.232 -5.301 1.00 0.00 H new ATOM 1216 N ASN A 71 9.508 -4.885 -0.790 1.00 0.00 N ATOM 1217 CA ASN A 71 8.716 -4.950 0.426 1.00 0.00 C ATOM 1218 C ASN A 71 7.646 -3.857 0.392 1.00 0.00 C ATOM 1219 O ASN A 71 7.094 -3.491 1.429 1.00 0.00 O ATOM 1220 CB ASN A 71 9.586 -4.722 1.663 1.00 0.00 C ATOM 1221 CG ASN A 71 10.638 -5.824 1.805 1.00 0.00 C ATOM 1222 OD1 ASN A 71 11.667 -5.700 0.973 1.00 0.00 O flip ATOM 1223 ND2 ASN A 71 10.522 -6.728 2.617 1.00 0.00 N flip ATOM 0 H ASN A 71 10.278 -4.216 -0.762 1.00 0.00 H new ATOM 0 HA ASN A 71 8.264 -5.940 0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.078 -3.752 1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.958 -4.697 2.554 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.705 -6.764 3.227 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.242 -7.447 2.686 1.00 0.00 H new ATOM 1230 N VAL A 72 7.385 -3.365 -0.810 1.00 0.00 N ATOM 1231 CA VAL A 72 6.392 -2.321 -0.993 1.00 0.00 C ATOM 1232 C VAL A 72 5.707 -2.506 -2.348 1.00 0.00 C ATOM 1233 O VAL A 72 4.483 -2.603 -2.421 1.00 0.00 O ATOM 1234 CB VAL A 72 7.043 -0.946 -0.835 1.00 0.00 C ATOM 1235 CG1 VAL A 72 6.089 0.167 -1.276 1.00 0.00 C ATOM 1236 CG2 VAL A 72 7.515 -0.725 0.604 1.00 0.00 C ATOM 0 H VAL A 72 7.845 -3.671 -1.668 1.00 0.00 H new ATOM 0 HA VAL A 72 5.620 -2.390 -0.227 1.00 0.00 H new ATOM 0 HB VAL A 72 7.918 -0.913 -1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.577 1.134 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.823 0.025 -2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.187 0.136 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.974 0.260 0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.662 -0.788 1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.245 -1.490 0.869 1.00 0.00 H new ATOM 1246 N LEU A 73 6.526 -2.549 -3.388 1.00 0.00 N ATOM 1247 CA LEU A 73 6.015 -2.720 -4.738 1.00 0.00 C ATOM 1248 C LEU A 73 6.648 -3.964 -5.364 1.00 0.00 C ATOM 1249 O LEU A 73 7.739 -3.894 -5.926 1.00 0.00 O ATOM 1250 CB LEU A 73 6.225 -1.445 -5.556 1.00 0.00 C ATOM 1251 CG LEU A 73 5.349 -1.296 -6.802 1.00 0.00 C ATOM 1252 CD1 LEU A 73 4.283 -0.218 -6.596 1.00 0.00 C ATOM 1253 CD2 LEU A 73 6.202 -1.028 -8.043 1.00 0.00 C ATOM 0 H LEU A 73 7.541 -2.468 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 73 4.938 -2.885 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 73 6.048 -0.587 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.270 -1.402 -5.863 1.00 0.00 H new ATOM 0 HG LEU A 73 4.827 -2.238 -6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.674 -0.132 -7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.648 -0.490 -5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.766 0.737 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.555 -0.926 -8.914 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.769 -0.108 -7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.891 -1.859 -8.198 1.00 0.00 H new ATOM 1265 N PRO A 74 5.916 -5.104 -5.243 1.00 0.00 N ATOM 1266 CA PRO A 74 6.394 -6.362 -5.791 1.00 0.00 C ATOM 1267 C PRO A 74 6.247 -6.389 -7.313 1.00 0.00 C ATOM 1268 O PRO A 74 5.149 -6.210 -7.838 1.00 0.00 O ATOM 1269 CB PRO A 74 5.568 -7.433 -5.096 1.00 0.00 C ATOM 1270 CG PRO A 74 4.348 -6.720 -4.535 1.00 0.00 C ATOM 1271 CD PRO A 74 4.619 -5.225 -4.584 1.00 0.00 C ATOM 0 HA PRO A 74 7.458 -6.520 -5.614 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.275 -8.216 -5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.140 -7.913 -4.302 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.460 -6.966 -5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.156 -7.040 -3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.842 -4.700 -5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.642 -4.794 -3.583 1.00 0.00 H new ATOM 1279 N GLY A 75 7.369 -6.613 -7.980 1.00 0.00 N ATOM 1280 CA GLY A 75 7.379 -6.665 -9.432 1.00 0.00 C ATOM 1281 C GLY A 75 8.236 -5.540 -10.015 1.00 0.00 C ATOM 1282 O GLY A 75 8.838 -5.698 -11.076 1.00 0.00 O ATOM 0 H GLY A 75 8.278 -6.761 -7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.765 -7.629 -9.762 1.00 0.00 H new ATOM 0 HA3 GLY A 75 6.360 -6.583 -9.809 1.00 0.00 H new ATOM 1286 N VAL A 76 8.264 -4.427 -9.296 1.00 0.00 N ATOM 1287 CA VAL A 76 9.037 -3.275 -9.729 1.00 0.00 C ATOM 1288 C VAL A 76 10.358 -3.752 -10.337 1.00 0.00 C ATOM 1289 O VAL A 76 10.882 -4.796 -9.951 1.00 0.00 O ATOM 1290 CB VAL A 76 9.233 -2.307 -8.560 1.00 0.00 C ATOM 1291 CG1 VAL A 76 10.258 -2.851 -7.563 1.00 0.00 C ATOM 1292 CG2 VAL A 76 9.637 -0.919 -9.060 1.00 0.00 C ATOM 0 H VAL A 76 7.764 -4.299 -8.416 1.00 0.00 H new ATOM 0 HA VAL A 76 8.502 -2.725 -10.503 1.00 0.00 H new ATOM 0 HB VAL A 76 8.279 -2.212 -8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.378 -2.144 -6.742 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.912 -3.807 -7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.215 -2.990 -8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 76 9.770 -0.250 -8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.572 -0.990 -9.615 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.857 -0.526 -9.712 1.00 0.00 H new ATOM 1302 N LYS A 77 10.857 -2.965 -11.278 1.00 0.00 N ATOM 1303 CA LYS A 77 12.106 -3.294 -11.944 1.00 0.00 C ATOM 1304 C LYS A 77 13.277 -2.779 -11.104 1.00 0.00 C ATOM 1305 O LYS A 77 14.314 -3.435 -11.010 1.00 0.00 O ATOM 1306 CB LYS A 77 12.103 -2.768 -13.381 1.00 0.00 C ATOM 1307 CG LYS A 77 11.300 -3.691 -14.300 1.00 0.00 C ATOM 1308 CD LYS A 77 11.912 -3.735 -15.702 1.00 0.00 C ATOM 1309 CE LYS A 77 10.920 -3.227 -16.750 1.00 0.00 C ATOM 1310 NZ LYS A 77 10.444 -4.344 -17.597 1.00 0.00 N ATOM 0 H LYS A 77 10.419 -2.100 -11.595 1.00 0.00 H new ATOM 0 HA LYS A 77 12.221 -4.375 -12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.677 -1.765 -13.404 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.127 -2.688 -13.745 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.273 -4.696 -13.879 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.269 -3.343 -14.360 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.816 -3.127 -15.727 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.208 -4.756 -15.941 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.073 -2.750 -16.257 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.395 -2.468 -17.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.772 -3.982 -18.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.253 -4.781 -18.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.972 -5.054 -17.002 1.00 0.00 H new ATOM 1324 N SER A 78 13.073 -1.611 -10.515 1.00 0.00 N ATOM 1325 CA SER A 78 14.099 -1.001 -9.686 1.00 0.00 C ATOM 1326 C SER A 78 13.502 0.155 -8.880 1.00 0.00 C ATOM 1327 O SER A 78 12.368 0.564 -9.122 1.00 0.00 O ATOM 1328 CB SER A 78 15.271 -0.506 -10.535 1.00 0.00 C ATOM 1329 OG SER A 78 15.651 -1.456 -11.527 1.00 0.00 O ATOM 0 H SER A 78 12.212 -1.070 -10.595 1.00 0.00 H new ATOM 0 HA SER A 78 14.478 -1.758 -8.999 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.998 0.432 -11.018 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.123 -0.296 -9.889 1.00 0.00 H new ATOM 0 HG SER A 78 15.585 -2.361 -11.156 1.00 0.00 H new ATOM 1335 N ILE A 79 14.293 0.648 -7.939 1.00 0.00 N ATOM 1336 CA ILE A 79 13.857 1.749 -7.096 1.00 0.00 C ATOM 1337 C ILE A 79 13.410 2.915 -7.979 1.00 0.00 C ATOM 1338 O ILE A 79 12.428 3.590 -7.672 1.00 0.00 O ATOM 1339 CB ILE A 79 14.950 2.120 -6.092 1.00 0.00 C ATOM 1340 CG1 ILE A 79 15.194 0.982 -5.099 1.00 0.00 C ATOM 1341 CG2 ILE A 79 14.621 3.437 -5.385 1.00 0.00 C ATOM 1342 CD1 ILE A 79 14.294 1.125 -3.870 1.00 0.00 C ATOM 0 H ILE A 79 15.233 0.306 -7.741 1.00 0.00 H new ATOM 0 HA ILE A 79 12.995 1.454 -6.498 1.00 0.00 H new ATOM 0 HB ILE A 79 15.879 2.272 -6.641 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.004 0.024 -5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 79 16.239 0.981 -4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.414 3.678 -4.677 1.00 0.00 H new ATOM 0 HG22 ILE A 79 14.539 4.235 -6.123 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.676 3.337 -4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.487 0.304 -3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.504 2.073 -3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.249 1.101 -4.179 1.00 0.00 H new ATOM 1354 N GLU A 80 14.152 3.118 -9.057 1.00 0.00 N ATOM 1355 CA GLU A 80 13.844 4.191 -9.987 1.00 0.00 C ATOM 1356 C GLU A 80 12.464 3.975 -10.610 1.00 0.00 C ATOM 1357 O GLU A 80 11.638 4.886 -10.632 1.00 0.00 O ATOM 1358 CB GLU A 80 14.922 4.307 -11.067 1.00 0.00 C ATOM 1359 CG GLU A 80 15.746 5.583 -10.884 1.00 0.00 C ATOM 1360 CD GLU A 80 15.450 6.591 -11.996 1.00 0.00 C ATOM 1361 OE1 GLU A 80 14.359 7.197 -11.937 1.00 0.00 O ATOM 1362 OE2 GLU A 80 16.322 6.733 -12.880 1.00 0.00 O ATOM 0 H GLU A 80 14.966 2.557 -9.308 1.00 0.00 H new ATOM 0 HA GLU A 80 13.828 5.130 -9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.578 3.437 -11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 80 14.456 4.309 -12.052 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.522 6.029 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 80 16.808 5.337 -10.884 1.00 0.00 H new ATOM 1369 N GLU A 81 12.256 2.762 -11.102 1.00 0.00 N ATOM 1370 CA GLU A 81 10.990 2.414 -11.724 1.00 0.00 C ATOM 1371 C GLU A 81 9.853 2.507 -10.703 1.00 0.00 C ATOM 1372 O GLU A 81 8.752 2.943 -11.033 1.00 0.00 O ATOM 1373 CB GLU A 81 11.051 1.019 -12.350 1.00 0.00 C ATOM 1374 CG GLU A 81 11.575 1.086 -13.786 1.00 0.00 C ATOM 1375 CD GLU A 81 10.421 1.095 -14.791 1.00 0.00 C ATOM 1376 OE1 GLU A 81 9.955 -0.014 -15.129 1.00 0.00 O ATOM 1377 OE2 GLU A 81 10.031 2.211 -15.197 1.00 0.00 O ATOM 0 H GLU A 81 12.943 2.008 -11.082 1.00 0.00 H new ATOM 0 HA GLU A 81 10.793 3.127 -12.524 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.698 0.376 -11.753 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.058 0.569 -12.342 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.181 1.983 -13.914 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.224 0.232 -13.980 1.00 0.00 H new ATOM 1384 N GLY A 82 10.161 2.089 -9.484 1.00 0.00 N ATOM 1385 CA GLY A 82 9.179 2.120 -8.413 1.00 0.00 C ATOM 1386 C GLY A 82 8.566 3.515 -8.271 1.00 0.00 C ATOM 1387 O GLY A 82 7.346 3.658 -8.222 1.00 0.00 O ATOM 0 H GLY A 82 11.076 1.727 -9.214 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.393 1.392 -8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.650 1.829 -7.474 1.00 0.00 H new ATOM 1391 N ILE A 83 9.442 4.507 -8.209 1.00 0.00 N ATOM 1392 CA ILE A 83 9.002 5.885 -8.073 1.00 0.00 C ATOM 1393 C ILE A 83 8.101 6.247 -9.255 1.00 0.00 C ATOM 1394 O ILE A 83 7.070 6.896 -9.079 1.00 0.00 O ATOM 1395 CB ILE A 83 10.204 6.818 -7.908 1.00 0.00 C ATOM 1396 CG1 ILE A 83 10.711 6.808 -6.465 1.00 0.00 C ATOM 1397 CG2 ILE A 83 9.872 8.231 -8.390 1.00 0.00 C ATOM 1398 CD1 ILE A 83 12.182 6.391 -6.403 1.00 0.00 C ATOM 0 H ILE A 83 10.454 4.384 -8.250 1.00 0.00 H new ATOM 0 HA ILE A 83 8.407 6.007 -7.168 1.00 0.00 H new ATOM 0 HB ILE A 83 11.014 6.447 -8.536 1.00 0.00 H new ATOM 0 HG12 ILE A 83 10.592 7.799 -6.027 1.00 0.00 H new ATOM 0 HG13 ILE A 83 10.109 6.122 -5.869 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.743 8.873 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.596 8.200 -9.444 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.040 8.628 -7.808 1.00 0.00 H new ATOM 0 HD11 ILE A 83 12.517 6.392 -5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 83 12.294 5.390 -6.819 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.784 7.093 -6.980 1.00 0.00 H new ATOM 1410 N GLN A 84 8.521 5.812 -10.434 1.00 0.00 N ATOM 1411 CA GLN A 84 7.765 6.082 -11.645 1.00 0.00 C ATOM 1412 C GLN A 84 6.331 5.567 -11.501 1.00 0.00 C ATOM 1413 O GLN A 84 5.389 6.203 -11.971 1.00 0.00 O ATOM 1414 CB GLN A 84 8.449 5.467 -12.867 1.00 0.00 C ATOM 1415 CG GLN A 84 9.481 6.428 -13.459 1.00 0.00 C ATOM 1416 CD GLN A 84 10.601 5.662 -14.167 1.00 0.00 C ATOM 1417 OE1 GLN A 84 10.459 5.199 -15.287 1.00 0.00 O ATOM 1418 NE2 GLN A 84 11.718 5.555 -13.454 1.00 0.00 N ATOM 0 H GLN A 84 9.376 5.274 -10.576 1.00 0.00 H new ATOM 0 HA GLN A 84 7.729 7.161 -11.795 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.936 4.534 -12.584 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.701 5.221 -13.621 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.994 7.101 -14.164 1.00 0.00 H new ATOM 0 HG3 GLN A 84 9.903 7.047 -12.667 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.770 5.966 -12.522 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.523 5.062 -13.839 1.00 0.00 H new ATOM 1427 N VAL A 85 6.212 4.419 -10.850 1.00 0.00 N ATOM 1428 CA VAL A 85 4.909 3.811 -10.639 1.00 0.00 C ATOM 1429 C VAL A 85 4.052 4.738 -9.775 1.00 0.00 C ATOM 1430 O VAL A 85 2.860 4.905 -10.030 1.00 0.00 O ATOM 1431 CB VAL A 85 5.075 2.415 -10.035 1.00 0.00 C ATOM 1432 CG1 VAL A 85 3.889 2.062 -9.135 1.00 0.00 C ATOM 1433 CG2 VAL A 85 5.263 1.363 -11.130 1.00 0.00 C ATOM 0 H VAL A 85 6.996 3.894 -10.462 1.00 0.00 H new ATOM 0 HA VAL A 85 4.390 3.680 -11.589 1.00 0.00 H new ATOM 0 HB VAL A 85 5.974 2.422 -9.418 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.032 1.065 -8.719 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.819 2.787 -8.324 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.970 2.082 -9.720 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.379 0.380 -10.674 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.391 1.359 -11.784 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.153 1.600 -11.713 1.00 0.00 H new ATOM 1443 N TYR A 86 4.693 5.317 -8.770 1.00 0.00 N ATOM 1444 CA TYR A 86 4.004 6.223 -7.867 1.00 0.00 C ATOM 1445 C TYR A 86 3.760 7.580 -8.531 1.00 0.00 C ATOM 1446 O TYR A 86 2.844 8.306 -8.149 1.00 0.00 O ATOM 1447 CB TYR A 86 4.938 6.415 -6.670 1.00 0.00 C ATOM 1448 CG TYR A 86 5.375 5.108 -6.006 1.00 0.00 C ATOM 1449 CD1 TYR A 86 4.521 4.025 -5.985 1.00 0.00 C ATOM 1450 CD2 TYR A 86 6.625 5.013 -5.427 1.00 0.00 C ATOM 1451 CE1 TYR A 86 4.932 2.795 -5.360 1.00 0.00 C ATOM 1452 CE2 TYR A 86 7.036 3.782 -4.802 1.00 0.00 C ATOM 1453 CZ TYR A 86 6.170 2.734 -4.800 1.00 0.00 C ATOM 1454 OH TYR A 86 6.559 1.572 -4.209 1.00 0.00 O ATOM 0 H TYR A 86 5.681 5.176 -8.561 1.00 0.00 H new ATOM 0 HA TYR A 86 3.034 5.816 -7.581 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.824 6.958 -6.997 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.438 7.038 -5.928 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.543 4.100 -6.438 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.294 5.861 -5.443 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.272 1.940 -5.336 1.00 0.00 H new ATOM 0 HE2 TYR A 86 8.011 3.694 -4.345 1.00 0.00 H new ATOM 0 HH TYR A 86 6.711 1.726 -3.253 1.00 0.00 H new ATOM 1464 N ARG A 87 4.596 7.880 -9.514 1.00 0.00 N ATOM 1465 CA ARG A 87 4.483 9.136 -10.235 1.00 0.00 C ATOM 1466 C ARG A 87 3.291 9.093 -11.194 1.00 0.00 C ATOM 1467 O ARG A 87 2.535 10.057 -11.294 1.00 0.00 O ATOM 1468 CB ARG A 87 5.757 9.432 -11.029 1.00 0.00 C ATOM 1469 CG ARG A 87 5.587 10.684 -11.892 1.00 0.00 C ATOM 1470 CD ARG A 87 5.666 11.952 -11.040 1.00 0.00 C ATOM 1471 NE ARG A 87 6.892 12.711 -11.374 1.00 0.00 N ATOM 1472 CZ ARG A 87 6.980 13.591 -12.380 1.00 0.00 C ATOM 1473 NH1 ARG A 87 5.914 13.829 -13.157 1.00 0.00 N ATOM 1474 NH2 ARG A 87 8.133 14.234 -12.610 1.00 0.00 N ATOM 0 H ARG A 87 5.355 7.275 -9.828 1.00 0.00 H new ATOM 0 HA ARG A 87 4.334 9.927 -9.500 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.593 9.569 -10.344 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.001 8.579 -11.663 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.360 10.709 -12.660 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.627 10.647 -12.407 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.786 12.572 -11.213 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.668 11.690 -9.982 1.00 0.00 H new ATOM 0 HE ARG A 87 7.722 12.554 -10.802 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.036 13.340 -12.982 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.981 14.499 -13.923 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.944 14.053 -12.019 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.199 14.904 -13.376 1.00 0.00 H new ATOM 1488 N ARG A 88 3.161 7.963 -11.874 1.00 0.00 N ATOM 1489 CA ARG A 88 2.074 7.781 -12.821 1.00 0.00 C ATOM 1490 C ARG A 88 0.727 7.820 -12.097 1.00 0.00 C ATOM 1491 O ARG A 88 -0.222 8.438 -12.577 1.00 0.00 O ATOM 1492 CB ARG A 88 2.208 6.450 -13.564 1.00 0.00 C ATOM 1493 CG ARG A 88 3.489 6.416 -14.401 1.00 0.00 C ATOM 1494 CD ARG A 88 3.827 4.985 -14.826 1.00 0.00 C ATOM 1495 NE ARG A 88 3.157 4.666 -16.106 1.00 0.00 N ATOM 1496 CZ ARG A 88 3.570 5.108 -17.301 1.00 0.00 C ATOM 1497 NH1 ARG A 88 4.655 5.890 -17.388 1.00 0.00 N ATOM 1498 NH2 ARG A 88 2.900 4.767 -18.410 1.00 0.00 N ATOM 0 H ARG A 88 3.790 7.165 -11.788 1.00 0.00 H new ATOM 0 HA ARG A 88 2.125 8.595 -13.545 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.215 5.629 -12.848 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.343 6.301 -14.210 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.367 7.043 -15.284 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.315 6.833 -13.825 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.906 4.874 -14.933 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.509 4.283 -14.055 1.00 0.00 H new ATOM 0 HE ARG A 88 2.328 4.072 -16.077 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.166 6.149 -16.544 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.969 6.227 -18.298 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.075 4.171 -18.344 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.215 5.104 -19.320 1.00 0.00 H new ATOM 1512 N PHE A 89 0.687 7.152 -10.953 1.00 0.00 N ATOM 1513 CA PHE A 89 -0.528 7.102 -10.158 1.00 0.00 C ATOM 1514 C PHE A 89 -0.667 8.354 -9.289 1.00 0.00 C ATOM 1515 O PHE A 89 -1.680 9.048 -9.352 1.00 0.00 O ATOM 1516 CB PHE A 89 -0.419 5.875 -9.250 1.00 0.00 C ATOM 1517 CG PHE A 89 -0.858 4.569 -9.914 1.00 0.00 C ATOM 1518 CD1 PHE A 89 -0.159 4.075 -10.972 1.00 0.00 C ATOM 1519 CD2 PHE A 89 -1.946 3.901 -9.448 1.00 0.00 C ATOM 1520 CE1 PHE A 89 -0.566 2.863 -11.588 1.00 0.00 C ATOM 1521 CE2 PHE A 89 -2.354 2.688 -10.064 1.00 0.00 C ATOM 1522 CZ PHE A 89 -1.655 2.195 -11.121 1.00 0.00 C ATOM 0 H PHE A 89 1.477 6.641 -10.558 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.398 7.048 -10.812 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.614 5.772 -8.918 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.026 6.040 -8.359 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.706 4.605 -11.343 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.501 4.293 -8.608 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.011 2.471 -12.428 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.219 2.158 -9.693 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.965 1.273 -11.590 1.00 0.00 H new ATOM 1532 N TYR A 90 0.367 8.604 -8.499 1.00 0.00 N ATOM 1533 CA TYR A 90 0.374 9.760 -7.619 1.00 0.00 C ATOM 1534 C TYR A 90 1.253 10.876 -8.186 1.00 0.00 C ATOM 1535 O TYR A 90 2.293 10.608 -8.787 1.00 0.00 O ATOM 1536 CB TYR A 90 0.971 9.279 -6.295 1.00 0.00 C ATOM 1537 CG TYR A 90 0.710 7.802 -5.995 1.00 0.00 C ATOM 1538 CD1 TYR A 90 -0.508 7.238 -6.316 1.00 0.00 C ATOM 1539 CD2 TYR A 90 1.692 7.034 -5.403 1.00 0.00 C ATOM 1540 CE1 TYR A 90 -0.754 5.847 -6.033 1.00 0.00 C ATOM 1541 CE2 TYR A 90 1.445 5.643 -5.120 1.00 0.00 C ATOM 1542 CZ TYR A 90 0.235 5.119 -5.449 1.00 0.00 C ATOM 1543 OH TYR A 90 0.002 3.806 -5.182 1.00 0.00 O ATOM 0 H TYR A 90 1.206 8.026 -8.450 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.634 10.159 -7.503 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.047 9.452 -6.310 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.562 9.882 -5.484 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.276 7.839 -6.779 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.645 7.475 -5.152 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.702 5.393 -6.279 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.204 5.031 -4.657 1.00 0.00 H new ATOM 0 HH TYR A 90 0.796 3.411 -4.766 1.00 0.00 H new ATOM 1553 N ASP A 91 0.804 12.105 -7.976 1.00 0.00 N ATOM 1554 CA ASP A 91 1.537 13.263 -8.459 1.00 0.00 C ATOM 1555 C ASP A 91 2.803 13.446 -7.619 1.00 0.00 C ATOM 1556 O ASP A 91 2.817 13.123 -6.432 1.00 0.00 O ATOM 1557 CB ASP A 91 0.699 14.537 -8.335 1.00 0.00 C ATOM 1558 CG ASP A 91 -0.802 14.348 -8.565 1.00 0.00 C ATOM 1559 OD1 ASP A 91 -1.486 13.988 -7.583 1.00 0.00 O ATOM 1560 OD2 ASP A 91 -1.231 14.568 -9.719 1.00 0.00 O ATOM 0 H ASP A 91 -0.059 12.324 -7.478 1.00 0.00 H new ATOM 0 HA ASP A 91 1.782 13.094 -9.508 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.849 14.957 -7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.072 15.270 -9.050 1.00 0.00 H new ATOM 1565 N GLU A 92 3.835 13.964 -8.268 1.00 0.00 N ATOM 1566 CA GLU A 92 5.103 14.194 -7.596 1.00 0.00 C ATOM 1567 C GLU A 92 4.999 15.407 -6.668 1.00 0.00 C ATOM 1568 O GLU A 92 5.695 15.481 -5.657 1.00 0.00 O ATOM 1569 CB GLU A 92 6.236 14.373 -8.608 1.00 0.00 C ATOM 1570 CG GLU A 92 7.597 14.120 -7.957 1.00 0.00 C ATOM 1571 CD GLU A 92 8.295 15.438 -7.615 1.00 0.00 C ATOM 1572 OE1 GLU A 92 7.930 16.019 -6.570 1.00 0.00 O ATOM 1573 OE2 GLU A 92 9.177 15.836 -8.406 1.00 0.00 O ATOM 0 H GLU A 92 3.819 14.231 -9.252 1.00 0.00 H new ATOM 0 HA GLU A 92 5.336 13.317 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.095 13.686 -9.443 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.207 15.383 -9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.466 13.528 -7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.224 13.537 -8.631 1.00 0.00 H new ATOM 1580 N GLU A 93 4.125 16.328 -7.046 1.00 0.00 N ATOM 1581 CA GLU A 93 3.921 17.533 -6.261 1.00 0.00 C ATOM 1582 C GLU A 93 3.208 17.198 -4.949 1.00 0.00 C ATOM 1583 O GLU A 93 3.680 17.560 -3.873 1.00 0.00 O ATOM 1584 CB GLU A 93 3.140 18.581 -7.058 1.00 0.00 C ATOM 1585 CG GLU A 93 3.940 19.878 -7.188 1.00 0.00 C ATOM 1586 CD GLU A 93 4.778 19.880 -8.468 1.00 0.00 C ATOM 1587 OE1 GLU A 93 4.160 19.787 -9.551 1.00 0.00 O ATOM 1588 OE2 GLU A 93 6.017 19.973 -8.335 1.00 0.00 O ATOM 0 H GLU A 93 3.550 16.264 -7.886 1.00 0.00 H new ATOM 0 HA GLU A 93 4.896 17.958 -6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.909 18.191 -8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.189 18.784 -6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.260 20.730 -7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.592 19.996 -6.322 1.00 0.00 H new ATOM 1595 N LYS A 94 2.083 16.511 -5.083 1.00 0.00 N ATOM 1596 CA LYS A 94 1.301 16.124 -3.921 1.00 0.00 C ATOM 1597 C LYS A 94 2.163 15.264 -2.995 1.00 0.00 C ATOM 1598 O LYS A 94 2.100 15.405 -1.775 1.00 0.00 O ATOM 1599 CB LYS A 94 -0.001 15.446 -4.354 1.00 0.00 C ATOM 1600 CG LYS A 94 -1.216 16.279 -3.941 1.00 0.00 C ATOM 1601 CD LYS A 94 -2.216 15.434 -3.149 1.00 0.00 C ATOM 1602 CE LYS A 94 -3.637 15.622 -3.685 1.00 0.00 C ATOM 1603 NZ LYS A 94 -4.584 15.856 -2.572 1.00 0.00 N ATOM 0 H LYS A 94 1.695 16.213 -5.978 1.00 0.00 H new ATOM 0 HA LYS A 94 1.002 17.004 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.001 15.307 -5.435 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.066 14.455 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.892 17.127 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.701 16.686 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.937 14.382 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.181 15.714 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.663 16.465 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.939 14.739 -4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.543 15.982 -2.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.571 15.040 -1.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.304 16.712 -2.052 1.00 0.00 H new ATOM 1617 N GLU A 95 2.949 14.392 -3.610 1.00 0.00 N ATOM 1618 CA GLU A 95 3.823 13.510 -2.856 1.00 0.00 C ATOM 1619 C GLU A 95 4.843 14.326 -2.060 1.00 0.00 C ATOM 1620 O GLU A 95 4.970 14.156 -0.848 1.00 0.00 O ATOM 1621 CB GLU A 95 4.522 12.510 -3.779 1.00 0.00 C ATOM 1622 CG GLU A 95 4.791 11.190 -3.054 1.00 0.00 C ATOM 1623 CD GLU A 95 6.181 11.189 -2.415 1.00 0.00 C ATOM 1624 OE1 GLU A 95 7.130 10.786 -3.121 1.00 0.00 O ATOM 1625 OE2 GLU A 95 6.262 11.590 -1.234 1.00 0.00 O ATOM 0 H GLU A 95 2.999 14.278 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 95 3.214 12.942 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.904 12.327 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.462 12.933 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.034 11.032 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 95 4.710 10.361 -3.757 1.00 0.00 H new ATOM 1632 N LYS A 96 5.544 15.196 -2.773 1.00 0.00 N ATOM 1633 CA LYS A 96 6.548 16.039 -2.148 1.00 0.00 C ATOM 1634 C LYS A 96 5.866 17.002 -1.174 1.00 0.00 C ATOM 1635 O LYS A 96 6.524 17.604 -0.328 1.00 0.00 O ATOM 1636 CB LYS A 96 7.397 16.738 -3.211 1.00 0.00 C ATOM 1637 CG LYS A 96 6.737 18.040 -3.671 1.00 0.00 C ATOM 1638 CD LYS A 96 7.533 19.257 -3.196 1.00 0.00 C ATOM 1639 CE LYS A 96 8.183 19.982 -4.376 1.00 0.00 C ATOM 1640 NZ LYS A 96 8.942 21.161 -3.904 1.00 0.00 N ATOM 0 H LYS A 96 5.436 15.335 -3.778 1.00 0.00 H new ATOM 0 HA LYS A 96 7.243 15.435 -1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.387 16.951 -2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.535 16.075 -4.065 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.665 18.050 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.720 18.093 -3.283 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.874 19.942 -2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.302 18.941 -2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.849 19.302 -4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.417 20.295 -5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.377 21.642 -4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.298 21.817 -3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 9.686 20.854 -3.245 1.00 0.00 H new ATOM 1654 N LYS A 97 4.555 17.116 -1.327 1.00 0.00 N ATOM 1655 CA LYS A 97 3.776 17.996 -0.472 1.00 0.00 C ATOM 1656 C LYS A 97 3.678 17.384 0.927 1.00 0.00 C ATOM 1657 O LYS A 97 4.100 17.996 1.907 1.00 0.00 O ATOM 1658 CB LYS A 97 2.417 18.297 -1.108 1.00 0.00 C ATOM 1659 CG LYS A 97 2.139 19.801 -1.122 1.00 0.00 C ATOM 1660 CD LYS A 97 0.645 20.081 -1.292 1.00 0.00 C ATOM 1661 CE LYS A 97 0.249 20.061 -2.770 1.00 0.00 C ATOM 1662 NZ LYS A 97 0.021 21.437 -3.264 1.00 0.00 N ATOM 0 H LYS A 97 4.013 16.614 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 97 4.272 18.961 -0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.395 17.910 -2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.631 17.783 -0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.493 20.248 -0.193 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.695 20.270 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.067 19.335 -0.747 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.402 21.051 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.034 19.583 -3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.655 19.466 -2.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.247 21.405 -4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.743 21.881 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.893 21.994 -3.156 1.00 0.00 H new ATOM 1676 N TYR A 98 3.118 16.184 0.976 1.00 0.00 N ATOM 1677 CA TYR A 98 2.959 15.483 2.239 1.00 0.00 C ATOM 1678 C TYR A 98 4.049 14.425 2.419 1.00 0.00 C ATOM 1679 O TYR A 98 4.757 14.423 3.425 1.00 0.00 O ATOM 1680 CB TYR A 98 1.598 14.789 2.167 1.00 0.00 C ATOM 1681 CG TYR A 98 0.427 15.666 2.615 1.00 0.00 C ATOM 1682 CD1 TYR A 98 -0.103 16.604 1.752 1.00 0.00 C ATOM 1683 CD2 TYR A 98 -0.099 15.521 3.883 1.00 0.00 C ATOM 1684 CE1 TYR A 98 -1.205 17.429 2.173 1.00 0.00 C ATOM 1685 CE2 TYR A 98 -1.201 16.347 4.304 1.00 0.00 C ATOM 1686 CZ TYR A 98 -1.699 17.260 3.429 1.00 0.00 C ATOM 1687 OH TYR A 98 -2.740 18.040 3.827 1.00 0.00 O ATOM 0 H TYR A 98 2.769 15.679 0.161 1.00 0.00 H new ATOM 0 HA TYR A 98 3.030 16.178 3.076 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.422 14.462 1.142 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.625 13.893 2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.309 16.719 0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.316 14.788 4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.630 18.165 1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.622 16.243 5.293 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.989 17.809 4.746 1.00 0.00 H new ATOM 1697 N GLY A 99 4.150 13.550 1.429 1.00 0.00 N ATOM 1698 CA GLY A 99 5.141 12.489 1.466 1.00 0.00 C ATOM 1699 C GLY A 99 4.485 11.118 1.289 1.00 0.00 C ATOM 1700 O GLY A 99 3.368 11.022 0.783 1.00 0.00 O ATOM 0 H GLY A 99 3.561 13.555 0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.878 12.648 0.679 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.677 12.520 2.415 1.00 0.00 H new ATOM 1704 N VAL A 100 5.206 10.093 1.717 1.00 0.00 N ATOM 1705 CA VAL A 100 4.708 8.732 1.613 1.00 0.00 C ATOM 1706 C VAL A 100 4.472 8.171 3.016 1.00 0.00 C ATOM 1707 O VAL A 100 5.111 8.599 3.976 1.00 0.00 O ATOM 1708 CB VAL A 100 5.674 7.883 0.784 1.00 0.00 C ATOM 1709 CG1 VAL A 100 4.943 6.719 0.111 1.00 0.00 C ATOM 1710 CG2 VAL A 100 6.409 8.739 -0.249 1.00 0.00 C ATOM 0 H VAL A 100 6.132 10.177 2.137 1.00 0.00 H new ATOM 0 HA VAL A 100 3.751 8.714 1.091 1.00 0.00 H new ATOM 0 HB VAL A 100 6.418 7.464 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.653 6.132 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.488 6.086 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.167 7.109 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.089 8.111 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.685 9.200 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.977 9.517 0.261 1.00 0.00 H new ATOM 1720 N VAL A 101 3.551 7.221 3.092 1.00 0.00 N ATOM 1721 CA VAL A 101 3.223 6.596 4.362 1.00 0.00 C ATOM 1722 C VAL A 101 3.076 5.087 4.161 1.00 0.00 C ATOM 1723 O VAL A 101 2.169 4.635 3.463 1.00 0.00 O ATOM 1724 CB VAL A 101 1.970 7.245 4.956 1.00 0.00 C ATOM 1725 CG1 VAL A 101 2.230 8.708 5.319 1.00 0.00 C ATOM 1726 CG2 VAL A 101 0.783 7.120 3.999 1.00 0.00 C ATOM 0 H VAL A 101 3.022 6.869 2.294 1.00 0.00 H new ATOM 0 HA VAL A 101 4.026 6.751 5.082 1.00 0.00 H new ATOM 0 HB VAL A 101 1.719 6.712 5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.324 9.145 5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.034 8.763 6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.518 9.259 4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.094 7.589 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.021 7.616 3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.576 6.066 3.812 1.00 0.00 H new ATOM 1736 N ALA A 102 3.982 4.348 4.784 1.00 0.00 N ATOM 1737 CA ALA A 102 3.965 2.899 4.683 1.00 0.00 C ATOM 1738 C ALA A 102 3.059 2.326 5.775 1.00 0.00 C ATOM 1739 O ALA A 102 3.478 2.185 6.923 1.00 0.00 O ATOM 1740 CB ALA A 102 5.395 2.364 4.771 1.00 0.00 C ATOM 0 H ALA A 102 4.733 4.726 5.361 1.00 0.00 H new ATOM 0 HA ALA A 102 3.559 2.586 3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.382 1.277 4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.989 2.777 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.835 2.656 5.725 1.00 0.00 H new ATOM 1746 N ILE A 103 1.835 2.011 5.379 1.00 0.00 N ATOM 1747 CA ILE A 103 0.867 1.456 6.310 1.00 0.00 C ATOM 1748 C ILE A 103 0.875 -0.070 6.199 1.00 0.00 C ATOM 1749 O ILE A 103 0.745 -0.617 5.105 1.00 0.00 O ATOM 1750 CB ILE A 103 -0.512 2.081 6.085 1.00 0.00 C ATOM 1751 CG1 ILE A 103 -1.263 1.363 4.962 1.00 0.00 C ATOM 1752 CG2 ILE A 103 -0.396 3.585 5.827 1.00 0.00 C ATOM 1753 CD1 ILE A 103 -0.554 1.551 3.620 1.00 0.00 C ATOM 0 H ILE A 103 1.491 2.129 4.426 1.00 0.00 H new ATOM 0 HA ILE A 103 1.141 1.703 7.336 1.00 0.00 H new ATOM 0 HB ILE A 103 -1.098 1.954 6.996 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.338 0.300 5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.281 1.748 4.897 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.390 4.005 5.670 1.00 0.00 H new ATOM 0 HG22 ILE A 103 0.070 4.067 6.687 1.00 0.00 H new ATOM 0 HG23 ILE A 103 0.214 3.756 4.940 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -1.109 1.031 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -0.502 2.613 3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.455 1.143 3.681 1.00 0.00 H new ATOM 1765 N GLU A 104 1.030 -0.713 7.347 1.00 0.00 N ATOM 1766 CA GLU A 104 1.057 -2.166 7.392 1.00 0.00 C ATOM 1767 C GLU A 104 -0.367 -2.721 7.468 1.00 0.00 C ATOM 1768 O GLU A 104 -1.031 -2.598 8.496 1.00 0.00 O ATOM 1769 CB GLU A 104 1.902 -2.661 8.567 1.00 0.00 C ATOM 1770 CG GLU A 104 2.561 -4.003 8.241 1.00 0.00 C ATOM 1771 CD GLU A 104 1.744 -5.167 8.805 1.00 0.00 C ATOM 1772 OE1 GLU A 104 2.003 -5.528 9.974 1.00 0.00 O ATOM 1773 OE2 GLU A 104 0.880 -5.670 8.055 1.00 0.00 O ATOM 0 H GLU A 104 1.138 -0.256 8.252 1.00 0.00 H new ATOM 0 HA GLU A 104 1.519 -2.531 6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.669 -1.923 8.805 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.275 -2.765 9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.658 -4.112 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.569 -4.027 8.655 1.00 0.00 H new ATOM 1780 N ILE A 105 -0.793 -3.321 6.366 1.00 0.00 N ATOM 1781 CA ILE A 105 -2.126 -3.896 6.295 1.00 0.00 C ATOM 1782 C ILE A 105 -2.032 -5.413 6.467 1.00 0.00 C ATOM 1783 O ILE A 105 -0.956 -5.992 6.326 1.00 0.00 O ATOM 1784 CB ILE A 105 -2.826 -3.466 5.004 1.00 0.00 C ATOM 1785 CG1 ILE A 105 -2.412 -4.358 3.832 1.00 0.00 C ATOM 1786 CG2 ILE A 105 -2.578 -1.985 4.713 1.00 0.00 C ATOM 1787 CD1 ILE A 105 -0.945 -4.133 3.463 1.00 0.00 C ATOM 0 H ILE A 105 -0.239 -3.421 5.515 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.747 -3.520 7.108 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.900 -3.592 5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.568 -5.404 4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.044 -4.148 2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.086 -1.705 3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.963 -1.383 5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.508 -1.810 4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.677 -4.779 2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.797 -3.091 3.178 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.314 -4.368 4.320 1.00 0.00 H new ATOM 1799 N GLU A 106 -3.173 -6.014 6.770 1.00 0.00 N ATOM 1800 CA GLU A 106 -3.233 -7.453 6.964 1.00 0.00 C ATOM 1801 C GLU A 106 -4.547 -8.008 6.409 1.00 0.00 C ATOM 1802 O GLU A 106 -5.589 -7.907 7.054 1.00 0.00 O ATOM 1803 CB GLU A 106 -3.065 -7.815 8.440 1.00 0.00 C ATOM 1804 CG GLU A 106 -2.115 -9.003 8.609 1.00 0.00 C ATOM 1805 CD GLU A 106 -0.655 -8.550 8.555 1.00 0.00 C ATOM 1806 OE1 GLU A 106 -0.247 -7.836 9.497 1.00 0.00 O ATOM 1807 OE2 GLU A 106 0.021 -8.927 7.574 1.00 0.00 O ATOM 0 H GLU A 106 -4.064 -5.531 6.886 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.408 -7.909 6.417 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.679 -6.955 8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -4.036 -8.057 8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -2.311 -9.497 9.560 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -2.301 -9.736 7.824 1.00 0.00 H new ATOM 1814 N PRO A 107 -4.451 -8.599 5.188 1.00 0.00 N ATOM 1815 CA PRO A 107 -5.618 -9.171 4.539 1.00 0.00 C ATOM 1816 C PRO A 107 -6.011 -10.499 5.189 1.00 0.00 C ATOM 1817 O PRO A 107 -5.391 -11.529 4.929 1.00 0.00 O ATOM 1818 CB PRO A 107 -5.225 -9.318 3.079 1.00 0.00 C ATOM 1819 CG PRO A 107 -3.706 -9.260 3.048 1.00 0.00 C ATOM 1820 CD PRO A 107 -3.233 -8.738 4.395 1.00 0.00 C ATOM 0 HA PRO A 107 -6.503 -8.543 4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -5.588 -10.261 2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.659 -8.521 2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.290 -10.249 2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.365 -8.607 2.244 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.532 -9.429 4.864 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -2.717 -7.783 4.291 1.00 0.00 H new ATOM 1828 N LEU A 108 -7.039 -10.433 6.022 1.00 0.00 N ATOM 1829 CA LEU A 108 -7.522 -11.617 6.712 1.00 0.00 C ATOM 1830 C LEU A 108 -8.610 -12.285 5.868 1.00 0.00 C ATOM 1831 O LEU A 108 -9.754 -12.402 6.305 1.00 0.00 O ATOM 1832 CB LEU A 108 -7.973 -11.265 8.130 1.00 0.00 C ATOM 1833 CG LEU A 108 -8.754 -9.958 8.281 1.00 0.00 C ATOM 1834 CD1 LEU A 108 -9.936 -10.132 9.237 1.00 0.00 C ATOM 1835 CD2 LEU A 108 -7.832 -8.815 8.712 1.00 0.00 C ATOM 0 H LEU A 108 -7.551 -9.577 6.235 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.718 -12.344 6.830 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -8.591 -12.080 8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -7.091 -11.214 8.768 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.164 -9.691 7.307 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.474 -9.188 9.326 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.608 -10.897 8.849 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.569 -10.435 10.218 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.412 -7.898 8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.372 -9.060 9.669 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -7.054 -8.672 7.962 1.00 0.00 H new ATOM 1847 N GLU A 109 -8.215 -12.705 4.675 1.00 0.00 N ATOM 1848 CA GLU A 109 -9.143 -13.357 3.767 1.00 0.00 C ATOM 1849 C GLU A 109 -8.760 -14.827 3.584 1.00 0.00 C ATOM 1850 O GLU A 109 -9.616 -15.664 3.300 1.00 0.00 O ATOM 1851 CB GLU A 109 -9.193 -12.632 2.421 1.00 0.00 C ATOM 1852 CG GLU A 109 -10.414 -13.069 1.608 1.00 0.00 C ATOM 1853 CD GLU A 109 -11.598 -12.130 1.849 1.00 0.00 C ATOM 1854 OE1 GLU A 109 -12.068 -12.096 3.007 1.00 0.00 O ATOM 1855 OE2 GLU A 109 -12.005 -11.468 0.871 1.00 0.00 O ATOM 0 H GLU A 109 -7.265 -12.606 4.316 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.141 -13.313 4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.227 -11.555 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -8.283 -12.840 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.164 -13.080 0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.691 -14.087 1.881 1.00 0.00 H new ATOM 1862 N TYR A 110 -7.474 -15.097 3.753 1.00 0.00 N ATOM 1863 CA TYR A 110 -6.968 -16.451 3.610 1.00 0.00 C ATOM 1864 C TYR A 110 -5.466 -16.509 3.899 1.00 0.00 C ATOM 1865 O TYR A 110 -4.864 -15.505 4.275 1.00 0.00 O ATOM 1866 CB TYR A 110 -7.209 -16.839 2.149 1.00 0.00 C ATOM 1867 CG TYR A 110 -8.315 -17.878 1.956 1.00 0.00 C ATOM 1868 CD1 TYR A 110 -8.158 -19.154 2.459 1.00 0.00 C ATOM 1869 CD2 TYR A 110 -9.469 -17.540 1.279 1.00 0.00 C ATOM 1870 CE1 TYR A 110 -9.199 -20.132 2.277 1.00 0.00 C ATOM 1871 CE2 TYR A 110 -10.510 -18.518 1.098 1.00 0.00 C ATOM 1872 CZ TYR A 110 -10.324 -19.766 1.606 1.00 0.00 C ATOM 1873 OH TYR A 110 -11.307 -20.690 1.434 1.00 0.00 O ATOM 0 H TYR A 110 -6.767 -14.400 3.988 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.466 -17.123 4.309 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -7.464 -15.943 1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -6.281 -17.228 1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -7.255 -19.419 2.989 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -9.591 -16.542 0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.089 -21.134 2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -11.418 -18.266 0.571 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.051 -20.288 0.938 1.00 0.00 H new TER 1883 TYR A 110