USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 THR OG1 : rot 140:sc= 1.29 USER MOD Set 1.2: A 88 GLN : amide:sc= -0.22 K(o=1.1,f=-3.9) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.161 K(o=-0.71,f=-5.9!) USER MOD Set 2.2: A 92 SER OG : rot -95:sc= -0.866 USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.00532 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -53:sc= 0.548 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 36:sc= 0.0964 USER MOD Single : A 8 MET CE :methyl 147:sc= -0.0514 (180deg=-1.64) USER MOD Single : A 15 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.5!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 26:sc= 0.00406 USER MOD Single : A 38 ASN : amide:sc= -0.348 K(o=-0.35,f=-3.2!) USER MOD Single : A 40 HIS : no HD1:sc= -2.24! C(o=-2.2!,f=-4.3!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -3.05! C(o=-3.1!,f=-3.1!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl 138:sc= -1.56 (180deg=-2.58!) USER MOD Single : A 77 MET CE :methyl -171:sc= -6! (180deg=-6.28!) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -2.65! C(o=-5.4!,f=-2.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.4) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0994) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.044 -29.490 -12.297 1.00 0.00 N ATOM 2 CA GLY A 1 -11.013 -28.619 -12.936 1.00 0.00 C ATOM 3 C GLY A 1 -12.440 -29.083 -12.721 1.00 0.00 C ATOM 4 O GLY A 1 -12.728 -30.278 -12.787 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.206 -29.583 -12.906 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.763 -29.084 -11.382 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.467 -30.428 -12.145 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.900 -27.607 -12.546 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.806 -28.573 -14.005 1.00 0.00 H new ATOM 8 N SER A 2 -13.336 -28.136 -12.462 1.00 0.00 N ATOM 9 CA SER A 2 -14.740 -28.455 -12.232 1.00 0.00 C ATOM 10 C SER A 2 -15.476 -28.654 -13.553 1.00 0.00 C ATOM 11 O SER A 2 -16.217 -29.622 -13.724 1.00 0.00 O ATOM 12 CB SER A 2 -15.411 -27.343 -11.424 1.00 0.00 C ATOM 13 OG SER A 2 -16.632 -27.789 -10.859 1.00 0.00 O ATOM 0 H SER A 2 -13.115 -27.142 -12.406 1.00 0.00 H new ATOM 0 HA SER A 2 -14.788 -29.386 -11.666 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.741 -27.009 -10.632 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.597 -26.483 -12.067 1.00 0.00 H new ATOM 0 HG SER A 2 -17.040 -27.061 -10.346 1.00 0.00 H new ATOM 19 N SER A 3 -15.266 -27.730 -14.485 1.00 0.00 N ATOM 20 CA SER A 3 -15.912 -27.801 -15.791 1.00 0.00 C ATOM 21 C SER A 3 -17.430 -27.814 -15.646 1.00 0.00 C ATOM 22 O SER A 3 -18.134 -28.457 -16.424 1.00 0.00 O ATOM 23 CB SER A 3 -15.449 -29.049 -16.545 1.00 0.00 C ATOM 24 OG SER A 3 -15.909 -29.034 -17.886 1.00 0.00 O ATOM 0 H SER A 3 -14.654 -26.924 -14.360 1.00 0.00 H new ATOM 0 HA SER A 3 -15.627 -26.916 -16.359 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.360 -29.103 -16.531 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.819 -29.941 -16.040 1.00 0.00 H new ATOM 0 HG SER A 3 -16.878 -28.891 -17.898 1.00 0.00 H new ATOM 30 N GLY A 4 -17.929 -27.099 -14.642 1.00 0.00 N ATOM 31 CA GLY A 4 -19.361 -27.042 -14.411 1.00 0.00 C ATOM 32 C GLY A 4 -19.842 -25.640 -14.096 1.00 0.00 C ATOM 33 O GLY A 4 -20.245 -24.898 -14.992 1.00 0.00 O ATOM 0 H GLY A 4 -17.367 -26.558 -13.984 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.883 -27.412 -15.293 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.619 -27.705 -13.586 1.00 0.00 H new ATOM 37 N SER A 5 -19.801 -25.275 -12.818 1.00 0.00 N ATOM 38 CA SER A 5 -20.241 -23.954 -12.386 1.00 0.00 C ATOM 39 C SER A 5 -19.089 -23.177 -11.756 1.00 0.00 C ATOM 40 O SER A 5 -18.426 -23.662 -10.840 1.00 0.00 O ATOM 41 CB SER A 5 -21.393 -24.079 -11.387 1.00 0.00 C ATOM 42 OG SER A 5 -22.489 -24.775 -11.956 1.00 0.00 O ATOM 0 H SER A 5 -19.468 -25.876 -12.064 1.00 0.00 H new ATOM 0 HA SER A 5 -20.588 -23.408 -13.264 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.049 -24.603 -10.495 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.713 -23.086 -11.071 1.00 0.00 H new ATOM 0 HG SER A 5 -23.211 -24.843 -11.297 1.00 0.00 H new ATOM 48 N SER A 6 -18.858 -21.967 -12.255 1.00 0.00 N ATOM 49 CA SER A 6 -17.784 -21.122 -11.746 1.00 0.00 C ATOM 50 C SER A 6 -17.934 -19.690 -12.248 1.00 0.00 C ATOM 51 O SER A 6 -18.113 -19.454 -13.443 1.00 0.00 O ATOM 52 CB SER A 6 -16.423 -21.682 -12.165 1.00 0.00 C ATOM 53 OG SER A 6 -16.358 -21.864 -13.569 1.00 0.00 O ATOM 0 H SER A 6 -19.400 -21.550 -13.011 1.00 0.00 H new ATOM 0 HA SER A 6 -17.846 -21.115 -10.658 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.633 -21.003 -11.846 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.247 -22.633 -11.663 1.00 0.00 H new ATOM 0 HG SER A 6 -16.849 -21.143 -14.015 1.00 0.00 H new ATOM 59 N GLY A 7 -17.860 -18.735 -11.326 1.00 0.00 N ATOM 60 CA GLY A 7 -17.990 -17.337 -11.694 1.00 0.00 C ATOM 61 C GLY A 7 -16.649 -16.638 -11.799 1.00 0.00 C ATOM 62 O GLY A 7 -15.619 -17.282 -11.997 1.00 0.00 O ATOM 0 H GLY A 7 -17.712 -18.904 -10.331 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.511 -17.263 -12.649 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.606 -16.826 -10.954 1.00 0.00 H new ATOM 66 N MET A 8 -16.660 -15.315 -11.667 1.00 0.00 N ATOM 67 CA MET A 8 -15.435 -14.529 -11.748 1.00 0.00 C ATOM 68 C MET A 8 -15.074 -13.942 -10.387 1.00 0.00 C ATOM 69 O MET A 8 -15.859 -13.206 -9.792 1.00 0.00 O ATOM 70 CB MET A 8 -15.592 -13.406 -12.775 1.00 0.00 C ATOM 71 CG MET A 8 -15.246 -13.827 -14.194 1.00 0.00 C ATOM 72 SD MET A 8 -16.529 -14.845 -14.949 1.00 0.00 S ATOM 73 CE MET A 8 -15.676 -16.414 -15.090 1.00 0.00 C ATOM 0 H MET A 8 -17.504 -14.766 -11.504 1.00 0.00 H new ATOM 0 HA MET A 8 -14.629 -15.191 -12.064 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.620 -13.045 -12.752 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.955 -12.570 -12.487 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.087 -12.938 -14.804 1.00 0.00 H new ATOM 0 HG3 MET A 8 -14.307 -14.380 -14.186 1.00 0.00 H new ATOM 0 HE1 MET A 8 -16.389 -17.229 -14.965 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.210 -16.488 -16.073 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.909 -16.482 -14.319 1.00 0.00 H new ATOM 83 N GLU A 9 -13.882 -14.274 -9.902 1.00 0.00 N ATOM 84 CA GLU A 9 -13.419 -13.780 -8.611 1.00 0.00 C ATOM 85 C GLU A 9 -11.999 -13.231 -8.715 1.00 0.00 C ATOM 86 O GLU A 9 -11.025 -13.969 -8.567 1.00 0.00 O ATOM 87 CB GLU A 9 -13.470 -14.896 -7.565 1.00 0.00 C ATOM 88 CG GLU A 9 -14.865 -15.455 -7.339 1.00 0.00 C ATOM 89 CD GLU A 9 -14.998 -16.169 -6.008 1.00 0.00 C ATOM 90 OE1 GLU A 9 -14.403 -17.256 -5.855 1.00 0.00 O ATOM 91 OE2 GLU A 9 -15.699 -15.640 -5.119 1.00 0.00 O ATOM 0 H GLU A 9 -13.220 -14.883 -10.383 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.081 -12.971 -8.302 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.810 -15.705 -7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.083 -14.515 -6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.590 -14.642 -7.385 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.110 -16.147 -8.145 1.00 0.00 H new ATOM 98 N GLU A 10 -11.890 -11.932 -8.972 1.00 0.00 N ATOM 99 CA GLU A 10 -10.590 -11.284 -9.099 1.00 0.00 C ATOM 100 C GLU A 10 -10.569 -9.955 -8.350 1.00 0.00 C ATOM 101 O GLU A 10 -11.599 -9.487 -7.864 1.00 0.00 O ATOM 102 CB GLU A 10 -10.249 -11.057 -10.573 1.00 0.00 C ATOM 103 CG GLU A 10 -9.757 -12.307 -11.283 1.00 0.00 C ATOM 104 CD GLU A 10 -10.028 -12.275 -12.775 1.00 0.00 C ATOM 105 OE1 GLU A 10 -9.191 -11.720 -13.518 1.00 0.00 O ATOM 106 OE2 GLU A 10 -11.076 -12.804 -13.199 1.00 0.00 O ATOM 0 H GLU A 10 -12.687 -11.307 -9.096 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.841 -11.942 -8.658 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.133 -10.681 -11.088 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.485 -10.283 -10.645 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.686 -12.418 -11.114 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.241 -13.182 -10.848 1.00 0.00 H new ATOM 113 N VAL A 11 -9.388 -9.351 -8.260 1.00 0.00 N ATOM 114 CA VAL A 11 -9.232 -8.075 -7.572 1.00 0.00 C ATOM 115 C VAL A 11 -8.129 -7.238 -8.210 1.00 0.00 C ATOM 116 O VAL A 11 -7.104 -7.767 -8.639 1.00 0.00 O ATOM 117 CB VAL A 11 -8.908 -8.279 -6.080 1.00 0.00 C ATOM 118 CG1 VAL A 11 -7.597 -9.032 -5.915 1.00 0.00 C ATOM 119 CG2 VAL A 11 -8.858 -6.941 -5.358 1.00 0.00 C ATOM 0 H VAL A 11 -8.525 -9.725 -8.655 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.182 -7.548 -7.662 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.701 -8.878 -5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.386 -9.166 -4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.675 -10.007 -6.396 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.790 -8.463 -6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.628 -7.104 -4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.086 -6.315 -5.805 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.824 -6.444 -5.446 1.00 0.00 H new ATOM 129 N ILE A 12 -8.347 -5.928 -8.268 1.00 0.00 N ATOM 130 CA ILE A 12 -7.371 -5.017 -8.852 1.00 0.00 C ATOM 131 C ILE A 12 -6.534 -4.342 -7.771 1.00 0.00 C ATOM 132 O ILE A 12 -7.011 -3.449 -7.070 1.00 0.00 O ATOM 133 CB ILE A 12 -8.054 -3.935 -9.709 1.00 0.00 C ATOM 134 CG1 ILE A 12 -9.074 -4.570 -10.656 1.00 0.00 C ATOM 135 CG2 ILE A 12 -7.015 -3.146 -10.492 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.872 -3.561 -11.450 1.00 0.00 C ATOM 0 H ILE A 12 -9.191 -5.474 -7.918 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.721 -5.616 -9.489 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.581 -3.248 -9.047 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.553 -5.233 -11.346 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.760 -5.188 -10.077 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.513 -2.385 -11.093 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.324 -2.666 -9.799 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.463 -3.821 -11.146 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.575 -4.083 -12.100 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.421 -2.913 -10.767 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.196 -2.959 -12.057 1.00 0.00 H new ATOM 148 N TRP A 13 -5.284 -4.772 -7.643 1.00 0.00 N ATOM 149 CA TRP A 13 -4.379 -4.207 -6.649 1.00 0.00 C ATOM 150 C TRP A 13 -3.755 -2.911 -7.154 1.00 0.00 C ATOM 151 O TRP A 13 -2.864 -2.932 -8.002 1.00 0.00 O ATOM 152 CB TRP A 13 -3.282 -5.214 -6.298 1.00 0.00 C ATOM 153 CG TRP A 13 -3.796 -6.429 -5.587 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.434 -7.498 -6.148 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.716 -6.698 -4.183 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.756 -8.416 -5.177 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.325 -7.949 -3.963 1.00 0.00 C ATOM 158 CE3 TRP A 13 -3.187 -6.006 -3.090 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.420 -8.519 -2.696 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.282 -6.573 -1.834 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.894 -7.819 -1.645 1.00 0.00 C ATOM 0 H TRP A 13 -4.874 -5.510 -8.215 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.958 -3.983 -5.753 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.777 -5.524 -7.213 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.536 -4.724 -5.672 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.653 -7.606 -7.200 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.238 -9.301 -5.335 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.712 -5.045 -3.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.892 -9.479 -2.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -2.877 -6.046 -0.982 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -3.952 -8.235 -0.650 1.00 0.00 H new ATOM 172 N GLU A 14 -4.229 -1.787 -6.627 1.00 0.00 N ATOM 173 CA GLU A 14 -3.716 -0.481 -7.027 1.00 0.00 C ATOM 174 C GLU A 14 -2.619 -0.013 -6.076 1.00 0.00 C ATOM 175 O GLU A 14 -2.717 -0.194 -4.862 1.00 0.00 O ATOM 176 CB GLU A 14 -4.849 0.547 -7.063 1.00 0.00 C ATOM 177 CG GLU A 14 -6.029 0.123 -7.920 1.00 0.00 C ATOM 178 CD GLU A 14 -6.763 1.303 -8.527 1.00 0.00 C ATOM 179 OE1 GLU A 14 -6.089 2.260 -8.963 1.00 0.00 O ATOM 180 OE2 GLU A 14 -8.011 1.270 -8.566 1.00 0.00 O ATOM 0 H GLU A 14 -4.966 -1.754 -5.923 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.290 -0.576 -8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.196 0.728 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.458 1.492 -7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.677 -0.531 -8.718 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.723 -0.459 -7.314 1.00 0.00 H new ATOM 187 N GLN A 15 -1.575 0.589 -6.636 1.00 0.00 N ATOM 188 CA GLN A 15 -0.459 1.082 -5.838 1.00 0.00 C ATOM 189 C GLN A 15 -0.651 2.553 -5.483 1.00 0.00 C ATOM 190 O GLN A 15 -1.023 3.363 -6.332 1.00 0.00 O ATOM 191 CB GLN A 15 0.858 0.896 -6.594 1.00 0.00 C ATOM 192 CG GLN A 15 1.557 -0.418 -6.284 1.00 0.00 C ATOM 193 CD GLN A 15 2.362 -0.942 -7.456 1.00 0.00 C ATOM 194 OE1 GLN A 15 2.012 -0.716 -8.615 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.449 -1.646 -7.161 1.00 0.00 N ATOM 0 H GLN A 15 -1.479 0.747 -7.639 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.424 0.505 -4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.663 0.951 -7.665 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.527 1.721 -6.349 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.217 -0.281 -5.427 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.813 -1.162 -5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.702 -1.809 -6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.031 -2.023 -7.909 1.00 0.00 H new ATOM 204 N TYR A 16 -0.396 2.890 -4.224 1.00 0.00 N ATOM 205 CA TYR A 16 -0.544 4.263 -3.756 1.00 0.00 C ATOM 206 C TYR A 16 0.776 4.797 -3.207 1.00 0.00 C ATOM 207 O TYR A 16 1.247 4.361 -2.156 1.00 0.00 O ATOM 208 CB TYR A 16 -1.627 4.343 -2.678 1.00 0.00 C ATOM 209 CG TYR A 16 -2.979 3.849 -3.141 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.179 2.512 -3.461 1.00 0.00 C ATOM 211 CD2 TYR A 16 -4.055 4.719 -3.258 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.413 2.056 -3.885 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.293 4.272 -3.680 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.466 2.940 -3.992 1.00 0.00 C ATOM 215 OH TYR A 16 -6.697 2.491 -4.414 1.00 0.00 O ATOM 0 H TYR A 16 -0.086 2.232 -3.509 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.840 4.879 -4.605 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.312 3.758 -1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.721 5.377 -2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.356 1.817 -3.377 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.922 5.763 -3.015 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.552 1.014 -4.131 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.120 4.962 -3.765 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.329 3.240 -4.433 1.00 0.00 H new ATOM 225 N THR A 17 1.369 5.745 -3.926 1.00 0.00 N ATOM 226 CA THR A 17 2.634 6.339 -3.514 1.00 0.00 C ATOM 227 C THR A 17 2.422 7.726 -2.918 1.00 0.00 C ATOM 228 O THR A 17 2.275 8.709 -3.645 1.00 0.00 O ATOM 229 CB THR A 17 3.616 6.445 -4.695 1.00 0.00 C ATOM 230 OG1 THR A 17 3.755 5.170 -5.333 1.00 0.00 O ATOM 231 CG2 THR A 17 4.978 6.932 -4.224 1.00 0.00 C ATOM 0 H THR A 17 0.993 6.118 -4.798 1.00 0.00 H new ATOM 0 HA THR A 17 3.059 5.682 -2.756 1.00 0.00 H new ATOM 0 HB THR A 17 3.216 7.166 -5.408 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.380 5.246 -6.084 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.655 6.999 -5.076 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.874 7.915 -3.765 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.382 6.231 -3.493 1.00 0.00 H new ATOM 239 N VAL A 18 2.406 7.799 -1.591 1.00 0.00 N ATOM 240 CA VAL A 18 2.214 9.067 -0.897 1.00 0.00 C ATOM 241 C VAL A 18 3.434 9.424 -0.056 1.00 0.00 C ATOM 242 O VAL A 18 4.209 8.551 0.337 1.00 0.00 O ATOM 243 CB VAL A 18 0.971 9.026 0.012 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.297 9.205 -0.808 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.929 7.724 0.798 1.00 0.00 C ATOM 0 H VAL A 18 2.524 6.995 -0.975 1.00 0.00 H new ATOM 0 HA VAL A 18 2.070 9.829 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 18 1.034 9.851 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.164 9.173 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.266 10.166 -1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.371 8.404 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.045 7.712 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.890 6.883 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.823 7.644 1.417 1.00 0.00 H new ATOM 255 N THR A 19 3.600 10.714 0.218 1.00 0.00 N ATOM 256 CA THR A 19 4.727 11.188 1.012 1.00 0.00 C ATOM 257 C THR A 19 4.265 11.699 2.372 1.00 0.00 C ATOM 258 O THR A 19 3.353 12.522 2.461 1.00 0.00 O ATOM 259 CB THR A 19 5.492 12.312 0.287 1.00 0.00 C ATOM 260 OG1 THR A 19 4.635 12.952 -0.665 1.00 0.00 O ATOM 261 CG2 THR A 19 6.722 11.761 -0.419 1.00 0.00 C ATOM 0 H THR A 19 2.968 11.450 -0.098 1.00 0.00 H new ATOM 0 HA THR A 19 5.394 10.337 1.154 1.00 0.00 H new ATOM 0 HB THR A 19 5.816 13.040 1.031 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.128 13.666 -1.120 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.246 12.573 -0.924 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.386 11.300 0.313 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.417 11.015 -1.152 1.00 0.00 H new ATOM 269 N LEU A 20 4.900 11.207 3.430 1.00 0.00 N ATOM 270 CA LEU A 20 4.554 11.614 4.787 1.00 0.00 C ATOM 271 C LEU A 20 5.627 12.528 5.372 1.00 0.00 C ATOM 272 O LEU A 20 6.800 12.431 5.013 1.00 0.00 O ATOM 273 CB LEU A 20 4.374 10.385 5.680 1.00 0.00 C ATOM 274 CG LEU A 20 3.588 9.223 5.071 1.00 0.00 C ATOM 275 CD1 LEU A 20 4.061 7.898 5.649 1.00 0.00 C ATOM 276 CD2 LEU A 20 2.096 9.407 5.306 1.00 0.00 C ATOM 0 H LEU A 20 5.657 10.526 3.374 1.00 0.00 H new ATOM 0 HA LEU A 20 3.615 12.166 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.361 10.020 5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.872 10.696 6.596 1.00 0.00 H new ATOM 0 HG LEU A 20 3.767 9.212 3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.491 7.083 5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.120 7.762 5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.912 7.898 6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.553 8.571 4.866 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.898 9.445 6.377 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.767 10.337 4.843 1.00 0.00 H new ATOM 288 N GLN A 21 5.216 13.412 6.274 1.00 0.00 N ATOM 289 CA GLN A 21 6.142 14.342 6.909 1.00 0.00 C ATOM 290 C GLN A 21 6.432 13.926 8.347 1.00 0.00 C ATOM 291 O GLN A 21 5.515 13.739 9.148 1.00 0.00 O ATOM 292 CB GLN A 21 5.573 15.762 6.882 1.00 0.00 C ATOM 293 CG GLN A 21 5.198 16.240 5.488 1.00 0.00 C ATOM 294 CD GLN A 21 4.627 17.644 5.487 1.00 0.00 C ATOM 295 OE1 GLN A 21 4.919 18.446 6.374 1.00 0.00 O ATOM 296 NE2 GLN A 21 3.808 17.949 4.487 1.00 0.00 N ATOM 0 H GLN A 21 4.248 13.504 6.582 1.00 0.00 H new ATOM 0 HA GLN A 21 7.077 14.322 6.348 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.691 15.803 7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.307 16.447 7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.080 16.210 4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.468 15.555 5.057 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.593 17.253 3.773 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.394 18.879 4.433 1.00 0.00 H new ATOM 305 N LYS A 22 7.712 13.781 8.670 1.00 0.00 N ATOM 306 CA LYS A 22 8.124 13.387 10.012 1.00 0.00 C ATOM 307 C LYS A 22 7.625 14.388 11.050 1.00 0.00 C ATOM 308 O LYS A 22 8.288 15.386 11.332 1.00 0.00 O ATOM 309 CB LYS A 22 9.648 13.275 10.088 1.00 0.00 C ATOM 310 CG LYS A 22 10.132 12.163 11.004 1.00 0.00 C ATOM 311 CD LYS A 22 11.427 11.549 10.499 1.00 0.00 C ATOM 312 CE LYS A 22 11.544 10.087 10.903 1.00 0.00 C ATOM 313 NZ LYS A 22 11.974 9.936 12.320 1.00 0.00 N ATOM 0 H LYS A 22 8.483 13.931 8.020 1.00 0.00 H new ATOM 0 HA LYS A 22 7.683 12.414 10.229 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.042 13.106 9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.057 14.224 10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.283 12.558 12.009 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.366 11.391 11.077 1.00 0.00 H new ATOM 0 HD2 LYS A 22 11.472 11.632 9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.275 12.107 10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.583 9.593 10.761 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.260 9.586 10.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.042 8.925 12.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.903 10.385 12.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.278 10.392 12.944 1.00 0.00 H new ATOM 327 N ASP A 23 6.455 14.113 11.615 1.00 0.00 N ATOM 328 CA ASP A 23 5.868 14.988 12.624 1.00 0.00 C ATOM 329 C ASP A 23 6.748 15.047 13.869 1.00 0.00 C ATOM 330 O ASP A 23 7.689 14.268 14.014 1.00 0.00 O ATOM 331 CB ASP A 23 4.466 14.503 12.997 1.00 0.00 C ATOM 332 CG ASP A 23 3.655 15.570 13.706 1.00 0.00 C ATOM 333 OD1 ASP A 23 3.355 16.604 13.074 1.00 0.00 O ATOM 334 OD2 ASP A 23 3.322 15.371 14.893 1.00 0.00 O ATOM 0 H ASP A 23 5.894 13.291 11.392 1.00 0.00 H new ATOM 0 HA ASP A 23 5.796 15.991 12.203 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.940 14.191 12.095 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.547 13.626 13.639 1.00 0.00 H new ATOM 339 N SER A 24 6.435 15.979 14.764 1.00 0.00 N ATOM 340 CA SER A 24 7.199 16.144 15.995 1.00 0.00 C ATOM 341 C SER A 24 7.597 14.789 16.573 1.00 0.00 C ATOM 342 O SER A 24 8.777 14.445 16.626 1.00 0.00 O ATOM 343 CB SER A 24 6.386 16.932 17.023 1.00 0.00 C ATOM 344 OG SER A 24 6.124 18.247 16.566 1.00 0.00 O ATOM 0 H SER A 24 5.658 16.631 14.659 1.00 0.00 H new ATOM 0 HA SER A 24 8.107 16.699 15.759 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.445 16.418 17.219 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.929 16.973 17.967 1.00 0.00 H new ATOM 0 HG SER A 24 5.602 18.730 17.240 1.00 0.00 H new ATOM 350 N LYS A 25 6.601 14.023 17.007 1.00 0.00 N ATOM 351 CA LYS A 25 6.843 12.705 17.581 1.00 0.00 C ATOM 352 C LYS A 25 6.312 11.607 16.665 1.00 0.00 C ATOM 353 O LYS A 25 6.966 10.583 16.465 1.00 0.00 O ATOM 354 CB LYS A 25 6.185 12.597 18.958 1.00 0.00 C ATOM 355 CG LYS A 25 6.915 13.370 20.043 1.00 0.00 C ATOM 356 CD LYS A 25 6.768 12.701 21.399 1.00 0.00 C ATOM 357 CE LYS A 25 7.060 13.670 22.534 1.00 0.00 C ATOM 358 NZ LYS A 25 8.521 13.802 22.790 1.00 0.00 N ATOM 0 H LYS A 25 5.618 14.293 16.972 1.00 0.00 H new ATOM 0 HA LYS A 25 7.920 12.575 17.688 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.160 12.961 18.891 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.132 11.547 19.245 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.972 13.448 19.787 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.524 14.386 20.093 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.756 12.310 21.505 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.447 11.851 21.462 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.644 14.648 22.292 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.562 13.327 23.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.678 14.471 23.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.914 12.874 23.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.993 14.154 21.933 1.00 0.00 H new ATOM 372 N ARG A 26 5.125 11.828 16.110 1.00 0.00 N ATOM 373 CA ARG A 26 4.508 10.857 15.215 1.00 0.00 C ATOM 374 C ARG A 26 5.057 10.997 13.798 1.00 0.00 C ATOM 375 O ARG A 26 4.301 11.028 12.828 1.00 0.00 O ATOM 376 CB ARG A 26 2.989 11.035 15.204 1.00 0.00 C ATOM 377 CG ARG A 26 2.271 10.211 16.260 1.00 0.00 C ATOM 378 CD ARG A 26 2.402 10.837 17.640 1.00 0.00 C ATOM 379 NE ARG A 26 1.247 10.547 18.485 1.00 0.00 N ATOM 380 CZ ARG A 26 1.092 9.410 19.154 1.00 0.00 C ATOM 381 NH1 ARG A 26 2.015 8.461 19.077 1.00 0.00 N ATOM 382 NH2 ARG A 26 0.013 9.220 19.902 1.00 0.00 N ATOM 0 H ARG A 26 4.572 12.671 16.264 1.00 0.00 H new ATOM 0 HA ARG A 26 4.748 9.859 15.582 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.754 12.089 15.356 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.607 10.762 14.220 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.217 10.122 15.998 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.682 9.202 16.277 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.306 10.465 18.122 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.515 11.916 17.539 1.00 0.00 H new ATOM 0 HE ARG A 26 0.519 11.257 18.566 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.846 8.603 18.503 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.894 7.589 19.592 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.699 9.948 19.964 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.104 8.346 20.415 1.00 0.00 H new ATOM 396 N GLY A 27 6.379 11.082 13.687 1.00 0.00 N ATOM 397 CA GLY A 27 7.007 11.219 12.385 1.00 0.00 C ATOM 398 C GLY A 27 6.059 10.896 11.248 1.00 0.00 C ATOM 399 O GLY A 27 5.631 11.788 10.515 1.00 0.00 O ATOM 0 H GLY A 27 7.026 11.058 14.475 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.376 12.238 12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.873 10.559 12.331 1.00 0.00 H new ATOM 403 N PHE A 28 5.731 9.617 11.098 1.00 0.00 N ATOM 404 CA PHE A 28 4.830 9.178 10.039 1.00 0.00 C ATOM 405 C PHE A 28 3.537 8.617 10.623 1.00 0.00 C ATOM 406 O PHE A 28 2.687 8.102 9.898 1.00 0.00 O ATOM 407 CB PHE A 28 5.510 8.121 9.167 1.00 0.00 C ATOM 408 CG PHE A 28 6.843 8.555 8.628 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.064 9.875 8.270 1.00 0.00 C ATOM 410 CD2 PHE A 28 7.876 7.643 8.481 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.289 10.277 7.773 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.104 8.040 7.985 1.00 0.00 C ATOM 413 CZ PHE A 28 9.311 9.359 7.632 1.00 0.00 C ATOM 0 H PHE A 28 6.076 8.866 11.696 1.00 0.00 H new ATOM 0 HA PHE A 28 4.584 10.043 9.423 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.642 7.210 9.751 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.853 7.872 8.333 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.270 10.598 8.381 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.720 6.611 8.757 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.447 11.309 7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.901 7.319 7.874 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.270 9.672 7.246 1.00 0.00 H new ATOM 423 N GLY A 29 3.396 8.719 11.941 1.00 0.00 N ATOM 424 CA GLY A 29 2.206 8.218 12.602 1.00 0.00 C ATOM 425 C GLY A 29 1.731 6.901 12.020 1.00 0.00 C ATOM 426 O GLY A 29 0.552 6.743 11.704 1.00 0.00 O ATOM 0 H GLY A 29 4.086 9.140 12.563 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.411 8.089 13.665 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.409 8.957 12.519 1.00 0.00 H new ATOM 430 N ILE A 30 2.652 5.953 11.876 1.00 0.00 N ATOM 431 CA ILE A 30 2.321 4.644 11.327 1.00 0.00 C ATOM 432 C ILE A 30 3.048 3.534 12.078 1.00 0.00 C ATOM 433 O ILE A 30 4.084 3.766 12.700 1.00 0.00 O ATOM 434 CB ILE A 30 2.676 4.555 9.831 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.022 5.231 9.563 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.581 5.189 8.988 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.578 4.945 8.186 1.00 0.00 C ATOM 0 H ILE A 30 3.633 6.067 12.132 1.00 0.00 H new ATOM 0 HA ILE A 30 1.245 4.515 11.445 1.00 0.00 H new ATOM 0 HB ILE A 30 2.757 3.504 9.554 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.909 6.308 9.684 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.741 4.900 10.312 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.847 5.118 7.933 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.640 4.667 9.161 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.470 6.237 9.264 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.533 5.456 8.066 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.724 3.871 8.068 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.878 5.301 7.430 1.00 0.00 H new ATOM 449 N ALA A 31 2.498 2.326 12.014 1.00 0.00 N ATOM 450 CA ALA A 31 3.096 1.178 12.685 1.00 0.00 C ATOM 451 C ALA A 31 3.037 -0.065 11.804 1.00 0.00 C ATOM 452 O ALA A 31 2.004 -0.364 11.203 1.00 0.00 O ATOM 453 CB ALA A 31 2.399 0.920 14.013 1.00 0.00 C ATOM 0 H ALA A 31 1.639 2.117 11.504 1.00 0.00 H new ATOM 0 HA ALA A 31 4.145 1.406 12.876 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.856 0.060 14.503 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.498 1.797 14.653 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.343 0.718 13.836 1.00 0.00 H new ATOM 459 N VAL A 32 4.151 -0.787 11.730 1.00 0.00 N ATOM 460 CA VAL A 32 4.225 -1.998 10.922 1.00 0.00 C ATOM 461 C VAL A 32 4.181 -3.246 11.797 1.00 0.00 C ATOM 462 O VAL A 32 4.614 -3.224 12.949 1.00 0.00 O ATOM 463 CB VAL A 32 5.508 -2.027 10.070 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.492 -0.905 9.043 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.739 -1.930 10.959 1.00 0.00 C ATOM 0 H VAL A 32 5.015 -0.554 12.220 1.00 0.00 H new ATOM 0 HA VAL A 32 3.359 -1.991 10.261 1.00 0.00 H new ATOM 0 HB VAL A 32 5.548 -2.976 9.535 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.406 -0.941 8.450 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.629 -1.024 8.387 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.429 0.056 9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.637 -1.952 10.341 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.709 -0.997 11.522 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.755 -2.771 11.652 1.00 0.00 H new ATOM 475 N SER A 33 3.654 -4.333 11.242 1.00 0.00 N ATOM 476 CA SER A 33 3.550 -5.590 11.973 1.00 0.00 C ATOM 477 C SER A 33 3.806 -6.778 11.050 1.00 0.00 C ATOM 478 O SER A 33 3.380 -6.784 9.895 1.00 0.00 O ATOM 479 CB SER A 33 2.167 -5.718 12.615 1.00 0.00 C ATOM 480 OG SER A 33 2.143 -5.113 13.897 1.00 0.00 O ATOM 0 H SER A 33 3.293 -4.368 10.289 1.00 0.00 H new ATOM 0 HA SER A 33 4.308 -5.590 12.756 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.420 -5.250 11.974 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.898 -6.771 12.701 1.00 0.00 H new ATOM 0 HG SER A 33 2.830 -4.415 13.942 1.00 0.00 H new ATOM 486 N GLY A 34 4.505 -7.783 11.568 1.00 0.00 N ATOM 487 CA GLY A 34 4.807 -8.962 10.779 1.00 0.00 C ATOM 488 C GLY A 34 6.297 -9.213 10.657 1.00 0.00 C ATOM 489 O GLY A 34 7.069 -8.850 11.543 1.00 0.00 O ATOM 0 H GLY A 34 4.868 -7.801 12.521 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.331 -9.831 11.234 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.378 -8.849 9.783 1.00 0.00 H new ATOM 493 N GLY A 35 6.702 -9.838 9.555 1.00 0.00 N ATOM 494 CA GLY A 35 8.108 -10.128 9.342 1.00 0.00 C ATOM 495 C GLY A 35 8.323 -11.378 8.512 1.00 0.00 C ATOM 496 O GLY A 35 7.602 -12.365 8.666 1.00 0.00 O ATOM 0 H GLY A 35 6.082 -10.148 8.807 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.579 -9.280 8.845 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.601 -10.247 10.307 1.00 0.00 H new ATOM 500 N ARG A 36 9.315 -11.337 7.629 1.00 0.00 N ATOM 501 CA ARG A 36 9.620 -12.475 6.769 1.00 0.00 C ATOM 502 C ARG A 36 9.873 -13.730 7.599 1.00 0.00 C ATOM 503 O ARG A 36 9.895 -14.842 7.069 1.00 0.00 O ATOM 504 CB ARG A 36 10.841 -12.170 5.899 1.00 0.00 C ATOM 505 CG ARG A 36 12.100 -11.876 6.698 1.00 0.00 C ATOM 506 CD ARG A 36 13.354 -12.183 5.894 1.00 0.00 C ATOM 507 NE ARG A 36 13.734 -13.590 5.988 1.00 0.00 N ATOM 508 CZ ARG A 36 14.971 -14.032 5.790 1.00 0.00 C ATOM 509 NH1 ARG A 36 15.942 -13.181 5.489 1.00 0.00 N ATOM 510 NH2 ARG A 36 15.238 -15.327 5.893 1.00 0.00 N ATOM 0 H ARG A 36 9.921 -10.529 7.490 1.00 0.00 H new ATOM 0 HA ARG A 36 8.759 -12.654 6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.028 -13.018 5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.618 -11.315 5.261 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.106 -10.828 6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 36 12.099 -12.469 7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 36 13.188 -11.922 4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 36 14.175 -11.561 6.251 1.00 0.00 H new ATOM 0 HE ARG A 36 13.010 -14.271 6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 36 15.740 -12.184 5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 36 16.891 -13.523 5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.493 -15.984 6.124 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.188 -15.666 5.741 1.00 0.00 H new ATOM 524 N ASP A 37 10.064 -13.545 8.900 1.00 0.00 N ATOM 525 CA ASP A 37 10.316 -14.662 9.803 1.00 0.00 C ATOM 526 C ASP A 37 9.251 -14.731 10.892 1.00 0.00 C ATOM 527 O ASP A 37 9.051 -15.773 11.515 1.00 0.00 O ATOM 528 CB ASP A 37 11.702 -14.533 10.435 1.00 0.00 C ATOM 529 CG ASP A 37 12.791 -15.138 9.571 1.00 0.00 C ATOM 530 OD1 ASP A 37 12.539 -16.191 8.949 1.00 0.00 O ATOM 531 OD2 ASP A 37 13.896 -14.558 9.517 1.00 0.00 O ATOM 0 H ASP A 37 10.049 -12.632 9.354 1.00 0.00 H new ATOM 0 HA ASP A 37 10.276 -15.583 9.221 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.923 -13.480 10.608 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.701 -15.022 11.409 1.00 0.00 H new ATOM 536 N ASN A 38 8.569 -13.612 11.118 1.00 0.00 N ATOM 537 CA ASN A 38 7.525 -13.544 12.134 1.00 0.00 C ATOM 538 C ASN A 38 6.269 -12.880 11.580 1.00 0.00 C ATOM 539 O ASN A 38 5.797 -11.864 12.091 1.00 0.00 O ATOM 540 CB ASN A 38 8.025 -12.775 13.359 1.00 0.00 C ATOM 541 CG ASN A 38 8.854 -13.641 14.287 1.00 0.00 C ATOM 542 OD1 ASN A 38 9.538 -14.566 13.846 1.00 0.00 O ATOM 543 ND2 ASN A 38 8.798 -13.345 15.580 1.00 0.00 N ATOM 0 H ASN A 38 8.721 -12.740 10.611 1.00 0.00 H new ATOM 0 HA ASN A 38 7.275 -14.563 12.431 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.622 -11.924 13.031 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.172 -12.374 13.906 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.335 -13.893 16.252 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.218 -12.570 15.901 1.00 0.00 H new ATOM 550 N PRO A 39 5.713 -13.466 10.509 1.00 0.00 N ATOM 551 CA PRO A 39 4.503 -12.949 9.863 1.00 0.00 C ATOM 552 C PRO A 39 3.261 -13.128 10.729 1.00 0.00 C ATOM 553 O PRO A 39 2.476 -14.055 10.523 1.00 0.00 O ATOM 554 CB PRO A 39 4.393 -13.792 8.590 1.00 0.00 C ATOM 555 CG PRO A 39 5.108 -15.059 8.911 1.00 0.00 C ATOM 556 CD PRO A 39 6.221 -14.680 9.848 1.00 0.00 C ATOM 0 HA PRO A 39 4.567 -11.877 9.677 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.352 -13.980 8.329 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.848 -13.285 7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.435 -15.780 9.376 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.500 -15.525 8.007 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.428 -15.472 10.567 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.150 -14.486 9.311 1.00 0.00 H new ATOM 564 N HIS A 40 3.088 -12.236 11.699 1.00 0.00 N ATOM 565 CA HIS A 40 1.939 -12.296 12.597 1.00 0.00 C ATOM 566 C HIS A 40 0.664 -12.621 11.826 1.00 0.00 C ATOM 567 O HIS A 40 -0.128 -13.466 12.244 1.00 0.00 O ATOM 568 CB HIS A 40 1.776 -10.969 13.339 1.00 0.00 C ATOM 569 CG HIS A 40 0.513 -10.882 14.139 1.00 0.00 C ATOM 570 ND1 HIS A 40 -0.739 -11.070 13.592 1.00 0.00 N ATOM 571 CD2 HIS A 40 0.313 -10.626 15.453 1.00 0.00 C ATOM 572 CE1 HIS A 40 -1.654 -10.932 14.535 1.00 0.00 C ATOM 573 NE2 HIS A 40 -1.042 -10.663 15.674 1.00 0.00 N ATOM 0 H HIS A 40 3.728 -11.463 11.884 1.00 0.00 H new ATOM 0 HA HIS A 40 2.116 -13.090 13.322 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.628 -10.827 14.004 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.796 -10.153 12.616 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.077 -10.429 16.191 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.721 -11.024 14.398 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.501 -10.508 16.572 1.00 0.00 H new ATOM 582 N PHE A 41 0.471 -11.944 10.698 1.00 0.00 N ATOM 583 CA PHE A 41 -0.710 -12.159 9.870 1.00 0.00 C ATOM 584 C PHE A 41 -1.163 -13.615 9.937 1.00 0.00 C ATOM 585 O PHE A 41 -0.596 -14.483 9.274 1.00 0.00 O ATOM 586 CB PHE A 41 -0.419 -11.770 8.419 1.00 0.00 C ATOM 587 CG PHE A 41 -1.623 -11.258 7.682 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.691 -12.097 7.405 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.688 -9.938 7.267 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.801 -11.628 6.728 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.795 -9.464 6.590 1.00 0.00 C ATOM 592 CZ PHE A 41 -3.853 -10.310 6.319 1.00 0.00 C ATOM 0 H PHE A 41 1.117 -11.242 10.337 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.512 -11.529 10.254 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.358 -11.005 8.405 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.022 -12.637 7.892 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.655 -13.129 7.722 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.864 -9.272 7.475 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.627 -12.292 6.519 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.833 -8.432 6.273 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.719 -9.942 5.789 1.00 0.00 H new ATOM 602 N GLU A 42 -2.188 -13.873 10.743 1.00 0.00 N ATOM 603 CA GLU A 42 -2.716 -15.223 10.898 1.00 0.00 C ATOM 604 C GLU A 42 -2.613 -16.001 9.589 1.00 0.00 C ATOM 605 O GLU A 42 -2.063 -17.101 9.551 1.00 0.00 O ATOM 606 CB GLU A 42 -4.174 -15.175 11.361 1.00 0.00 C ATOM 607 CG GLU A 42 -5.062 -14.306 10.485 1.00 0.00 C ATOM 608 CD GLU A 42 -5.697 -15.082 9.347 1.00 0.00 C ATOM 609 OE1 GLU A 42 -5.924 -16.299 9.512 1.00 0.00 O ATOM 610 OE2 GLU A 42 -5.966 -14.471 8.292 1.00 0.00 O ATOM 0 H GLU A 42 -2.669 -13.165 11.298 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.119 -15.734 11.653 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.575 -16.189 11.378 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.210 -14.801 12.384 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.846 -13.860 11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.472 -13.486 10.076 1.00 0.00 H new ATOM 617 N ASN A 43 -3.146 -15.421 8.518 1.00 0.00 N ATOM 618 CA ASN A 43 -3.115 -16.060 7.208 1.00 0.00 C ATOM 619 C ASN A 43 -1.682 -16.383 6.794 1.00 0.00 C ATOM 620 O ASN A 43 -1.347 -17.536 6.527 1.00 0.00 O ATOM 621 CB ASN A 43 -3.768 -15.155 6.161 1.00 0.00 C ATOM 622 CG ASN A 43 -3.738 -15.763 4.772 1.00 0.00 C ATOM 623 OD1 ASN A 43 -4.549 -16.629 4.444 1.00 0.00 O ATOM 624 ND2 ASN A 43 -2.799 -15.311 3.948 1.00 0.00 N ATOM 0 H ASN A 43 -3.604 -14.510 8.532 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.675 -16.993 7.273 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.802 -14.960 6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.255 -14.193 6.145 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.730 -15.683 3.001 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.148 -14.592 4.263 1.00 0.00 H new ATOM 631 N GLY A 44 -0.840 -15.355 6.744 1.00 0.00 N ATOM 632 CA GLY A 44 0.547 -15.550 6.362 1.00 0.00 C ATOM 633 C GLY A 44 0.968 -14.643 5.224 1.00 0.00 C ATOM 634 O GLY A 44 1.075 -15.082 4.079 1.00 0.00 O ATOM 0 H GLY A 44 -1.093 -14.391 6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.187 -15.366 7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.697 -16.589 6.069 1.00 0.00 H new ATOM 638 N GLU A 45 1.207 -13.373 5.538 1.00 0.00 N ATOM 639 CA GLU A 45 1.616 -12.402 4.531 1.00 0.00 C ATOM 640 C GLU A 45 2.827 -11.603 5.006 1.00 0.00 C ATOM 641 O GLU A 45 2.694 -10.475 5.482 1.00 0.00 O ATOM 642 CB GLU A 45 0.461 -11.453 4.207 1.00 0.00 C ATOM 643 CG GLU A 45 0.581 -10.792 2.844 1.00 0.00 C ATOM 644 CD GLU A 45 -0.768 -10.453 2.239 1.00 0.00 C ATOM 645 OE1 GLU A 45 -1.761 -11.123 2.590 1.00 0.00 O ATOM 646 OE2 GLU A 45 -0.830 -9.516 1.415 1.00 0.00 O ATOM 0 H GLU A 45 1.124 -12.994 6.481 1.00 0.00 H new ATOM 0 HA GLU A 45 1.893 -12.947 3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.477 -12.007 4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.411 -10.680 4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.173 -9.881 2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.121 -11.456 2.169 1.00 0.00 H new ATOM 653 N THR A 46 4.009 -12.197 4.873 1.00 0.00 N ATOM 654 CA THR A 46 5.244 -11.544 5.290 1.00 0.00 C ATOM 655 C THR A 46 5.251 -10.074 4.887 1.00 0.00 C ATOM 656 O THR A 46 5.731 -9.219 5.631 1.00 0.00 O ATOM 657 CB THR A 46 6.478 -12.236 4.682 1.00 0.00 C ATOM 658 OG1 THR A 46 6.420 -12.177 3.253 1.00 0.00 O ATOM 659 CG2 THR A 46 6.561 -13.687 5.132 1.00 0.00 C ATOM 0 H THR A 46 4.137 -13.129 4.480 1.00 0.00 H new ATOM 0 HA THR A 46 5.291 -11.621 6.376 1.00 0.00 H new ATOM 0 HB THR A 46 7.368 -11.712 5.030 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.209 -12.618 2.875 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.440 -14.155 4.690 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.636 -13.727 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.666 -14.220 4.810 1.00 0.00 H new ATOM 667 N SER A 47 4.714 -9.786 3.705 1.00 0.00 N ATOM 668 CA SER A 47 4.661 -8.418 3.203 1.00 0.00 C ATOM 669 C SER A 47 4.301 -7.443 4.319 1.00 0.00 C ATOM 670 O SER A 47 3.180 -7.453 4.829 1.00 0.00 O ATOM 671 CB SER A 47 3.643 -8.309 2.066 1.00 0.00 C ATOM 672 OG SER A 47 4.175 -8.817 0.854 1.00 0.00 O ATOM 0 H SER A 47 4.310 -10.482 3.078 1.00 0.00 H new ATOM 0 HA SER A 47 5.649 -8.158 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.739 -8.859 2.329 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.354 -7.267 1.931 1.00 0.00 H new ATOM 0 HG SER A 47 3.505 -8.738 0.144 1.00 0.00 H new ATOM 678 N ILE A 48 5.259 -6.601 4.692 1.00 0.00 N ATOM 679 CA ILE A 48 5.043 -5.618 5.747 1.00 0.00 C ATOM 680 C ILE A 48 3.799 -4.780 5.471 1.00 0.00 C ATOM 681 O ILE A 48 3.660 -4.192 4.398 1.00 0.00 O ATOM 682 CB ILE A 48 6.256 -4.682 5.901 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.497 -5.482 6.302 1.00 0.00 C ATOM 684 CG2 ILE A 48 5.962 -3.599 6.928 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.332 -6.243 7.599 1.00 0.00 C ATOM 0 H ILE A 48 6.192 -6.580 4.280 1.00 0.00 H new ATOM 0 HA ILE A 48 4.905 -6.175 6.674 1.00 0.00 H new ATOM 0 HB ILE A 48 6.451 -4.202 4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.739 -6.186 5.505 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.344 -4.802 6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.829 -2.945 7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.101 -3.014 6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.745 -4.060 7.891 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.250 -6.787 7.821 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.120 -5.543 8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.506 -6.948 7.505 1.00 0.00 H new ATOM 697 N VAL A 49 2.898 -4.728 6.447 1.00 0.00 N ATOM 698 CA VAL A 49 1.667 -3.958 6.310 1.00 0.00 C ATOM 699 C VAL A 49 1.500 -2.980 7.467 1.00 0.00 C ATOM 700 O VAL A 49 1.994 -3.217 8.570 1.00 0.00 O ATOM 701 CB VAL A 49 0.434 -4.879 6.248 1.00 0.00 C ATOM 702 CG1 VAL A 49 0.109 -5.241 4.807 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.662 -6.131 7.083 1.00 0.00 C ATOM 0 H VAL A 49 2.997 -5.210 7.341 1.00 0.00 H new ATOM 0 HA VAL A 49 1.743 -3.401 5.376 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.419 -4.343 6.663 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.765 -5.892 4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.100 -4.333 4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.959 -5.758 4.361 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.219 -6.770 7.028 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.527 -6.672 6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.841 -5.849 8.120 1.00 0.00 H new ATOM 713 N ILE A 50 0.800 -1.880 7.208 1.00 0.00 N ATOM 714 CA ILE A 50 0.566 -0.866 8.229 1.00 0.00 C ATOM 715 C ILE A 50 -0.656 -1.210 9.075 1.00 0.00 C ATOM 716 O ILE A 50 -1.794 -1.044 8.636 1.00 0.00 O ATOM 717 CB ILE A 50 0.368 0.527 7.603 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.667 1.008 6.955 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.104 1.518 8.656 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.742 1.374 7.955 1.00 0.00 C ATOM 0 H ILE A 50 0.385 -1.669 6.300 1.00 0.00 H new ATOM 0 HA ILE A 50 1.451 -0.847 8.865 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.397 0.457 6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.046 0.227 6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.453 1.875 6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.239 2.498 8.199 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.051 1.179 9.076 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.640 1.588 9.449 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.634 1.706 7.425 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.382 2.177 8.598 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.985 0.503 8.563 1.00 0.00 H new ATOM 732 N SER A 51 -0.411 -1.688 10.291 1.00 0.00 N ATOM 733 CA SER A 51 -1.491 -2.056 11.199 1.00 0.00 C ATOM 734 C SER A 51 -1.831 -0.902 12.136 1.00 0.00 C ATOM 735 O SER A 51 -2.447 -1.099 13.183 1.00 0.00 O ATOM 736 CB SER A 51 -1.102 -3.292 12.013 1.00 0.00 C ATOM 737 OG SER A 51 -2.247 -4.038 12.387 1.00 0.00 O ATOM 0 H SER A 51 0.525 -1.829 10.670 1.00 0.00 H new ATOM 0 HA SER A 51 -2.373 -2.286 10.601 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.430 -3.920 11.428 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.556 -2.986 12.905 1.00 0.00 H new ATOM 0 HG SER A 51 -1.971 -4.823 12.905 1.00 0.00 H new ATOM 743 N ASP A 52 -1.424 0.303 11.752 1.00 0.00 N ATOM 744 CA ASP A 52 -1.685 1.491 12.556 1.00 0.00 C ATOM 745 C ASP A 52 -1.517 2.759 11.724 1.00 0.00 C ATOM 746 O ASP A 52 -0.452 3.005 11.158 1.00 0.00 O ATOM 747 CB ASP A 52 -0.749 1.531 13.765 1.00 0.00 C ATOM 748 CG ASP A 52 -1.187 2.543 14.804 1.00 0.00 C ATOM 749 OD1 ASP A 52 -2.408 2.771 14.931 1.00 0.00 O ATOM 750 OD2 ASP A 52 -0.310 3.109 15.490 1.00 0.00 O ATOM 0 H ASP A 52 -0.912 0.483 10.888 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.716 1.443 12.906 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.707 0.542 14.221 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.260 1.771 13.431 1.00 0.00 H new ATOM 755 N VAL A 53 -2.575 3.559 11.654 1.00 0.00 N ATOM 756 CA VAL A 53 -2.545 4.802 10.891 1.00 0.00 C ATOM 757 C VAL A 53 -3.168 5.947 11.681 1.00 0.00 C ATOM 758 O VAL A 53 -4.382 6.154 11.644 1.00 0.00 O ATOM 759 CB VAL A 53 -3.286 4.655 9.550 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.458 6.011 8.883 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.545 3.692 8.634 1.00 0.00 C ATOM 0 H VAL A 53 -3.464 3.369 12.116 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.497 5.028 10.695 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.277 4.245 9.746 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.984 5.887 7.936 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.035 6.667 9.535 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.479 6.453 8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.083 3.600 7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.541 4.071 8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.479 2.714 9.111 1.00 0.00 H new ATOM 771 N LEU A 54 -2.330 6.690 12.396 1.00 0.00 N ATOM 772 CA LEU A 54 -2.799 7.816 13.196 1.00 0.00 C ATOM 773 C LEU A 54 -3.931 8.553 12.488 1.00 0.00 C ATOM 774 O LEU A 54 -3.745 9.161 11.434 1.00 0.00 O ATOM 775 CB LEU A 54 -1.645 8.781 13.479 1.00 0.00 C ATOM 776 CG LEU A 54 -1.727 9.557 14.794 1.00 0.00 C ATOM 777 CD1 LEU A 54 -1.449 8.640 15.974 1.00 0.00 C ATOM 778 CD2 LEU A 54 -0.753 10.726 14.784 1.00 0.00 C ATOM 0 H LEU A 54 -1.323 6.533 12.438 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.179 7.426 14.140 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.714 8.214 13.472 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.588 9.498 12.660 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.738 9.952 14.898 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.512 9.210 16.901 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.185 7.836 15.992 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.450 8.215 15.877 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.825 11.267 15.727 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.263 10.352 14.656 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.999 11.397 13.961 1.00 0.00 H new ATOM 790 N PRO A 55 -5.133 8.501 13.081 1.00 0.00 N ATOM 791 CA PRO A 55 -6.319 9.161 12.526 1.00 0.00 C ATOM 792 C PRO A 55 -6.232 10.681 12.615 1.00 0.00 C ATOM 793 O PRO A 55 -7.075 11.393 12.072 1.00 0.00 O ATOM 794 CB PRO A 55 -7.459 8.638 13.404 1.00 0.00 C ATOM 795 CG PRO A 55 -6.808 8.274 14.693 1.00 0.00 C ATOM 796 CD PRO A 55 -5.427 7.795 14.339 1.00 0.00 C ATOM 0 HA PRO A 55 -6.446 8.946 11.465 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.227 9.397 13.549 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.946 7.775 12.949 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.763 9.132 15.364 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.371 7.496 15.208 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.704 8.042 15.117 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.398 6.713 14.209 1.00 0.00 H new ATOM 804 N GLY A 56 -5.205 11.171 13.304 1.00 0.00 N ATOM 805 CA GLY A 56 -5.027 12.604 13.451 1.00 0.00 C ATOM 806 C GLY A 56 -3.604 13.043 13.170 1.00 0.00 C ATOM 807 O GLY A 56 -3.123 14.018 13.745 1.00 0.00 O ATOM 0 H GLY A 56 -4.494 10.601 13.762 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.705 13.123 12.773 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.302 12.899 14.464 1.00 0.00 H new ATOM 811 N GLY A 57 -2.927 12.320 12.282 1.00 0.00 N ATOM 812 CA GLY A 57 -1.557 12.655 11.943 1.00 0.00 C ATOM 813 C GLY A 57 -1.355 12.831 10.451 1.00 0.00 C ATOM 814 O GLY A 57 -2.306 13.029 9.694 1.00 0.00 O ATOM 0 H GLY A 57 -3.304 11.509 11.792 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.274 13.574 12.456 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.894 11.870 12.306 1.00 0.00 H new ATOM 818 N PRO A 58 -0.091 12.762 10.008 1.00 0.00 N ATOM 819 CA PRO A 58 0.262 12.914 8.594 1.00 0.00 C ATOM 820 C PRO A 58 -0.202 11.732 7.750 1.00 0.00 C ATOM 821 O PRO A 58 -0.561 11.892 6.584 1.00 0.00 O ATOM 822 CB PRO A 58 1.790 12.989 8.615 1.00 0.00 C ATOM 823 CG PRO A 58 2.187 12.270 9.858 1.00 0.00 C ATOM 824 CD PRO A 58 1.091 12.529 10.855 1.00 0.00 C ATOM 0 HA PRO A 58 -0.215 13.786 8.147 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.222 12.520 7.731 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.136 14.023 8.628 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.300 11.202 9.672 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.146 12.632 10.229 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.946 11.680 11.523 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.313 13.393 11.482 1.00 0.00 H new ATOM 832 N ALA A 59 -0.193 10.545 8.348 1.00 0.00 N ATOM 833 CA ALA A 59 -0.615 9.336 7.652 1.00 0.00 C ATOM 834 C ALA A 59 -2.118 9.346 7.395 1.00 0.00 C ATOM 835 O ALA A 59 -2.584 8.874 6.358 1.00 0.00 O ATOM 836 CB ALA A 59 -0.223 8.102 8.451 1.00 0.00 C ATOM 0 H ALA A 59 0.102 10.395 9.313 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.108 9.307 6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.545 7.207 7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.859 8.079 8.578 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.703 8.135 9.429 1.00 0.00 H new ATOM 842 N ASP A 60 -2.872 9.887 8.346 1.00 0.00 N ATOM 843 CA ASP A 60 -4.323 9.960 8.223 1.00 0.00 C ATOM 844 C ASP A 60 -4.726 10.524 6.864 1.00 0.00 C ATOM 845 O ASP A 60 -4.866 11.735 6.700 1.00 0.00 O ATOM 846 CB ASP A 60 -4.909 10.823 9.341 1.00 0.00 C ATOM 847 CG ASP A 60 -6.135 11.595 8.895 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.228 10.993 8.843 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.002 12.800 8.596 1.00 0.00 O ATOM 0 H ASP A 60 -2.502 10.281 9.211 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.721 8.949 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.171 10.188 10.187 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.150 11.523 9.691 1.00 0.00 H new ATOM 854 N GLY A 61 -4.909 9.636 5.891 1.00 0.00 N ATOM 855 CA GLY A 61 -5.292 10.065 4.558 1.00 0.00 C ATOM 856 C GLY A 61 -4.298 9.628 3.501 1.00 0.00 C ATOM 857 O GLY A 61 -4.684 9.117 2.448 1.00 0.00 O ATOM 0 H GLY A 61 -4.799 8.628 6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.275 9.660 4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.382 11.151 4.541 1.00 0.00 H new ATOM 861 N LEU A 62 -3.014 9.830 3.778 1.00 0.00 N ATOM 862 CA LEU A 62 -1.961 9.455 2.841 1.00 0.00 C ATOM 863 C LEU A 62 -1.813 7.939 2.767 1.00 0.00 C ATOM 864 O LEU A 62 -1.524 7.384 1.706 1.00 0.00 O ATOM 865 CB LEU A 62 -0.632 10.089 3.257 1.00 0.00 C ATOM 866 CG LEU A 62 -0.615 11.616 3.344 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.604 12.093 4.118 1.00 0.00 C ATOM 868 CD2 LEU A 62 -0.640 12.230 1.952 1.00 0.00 C ATOM 0 H LEU A 62 -2.677 10.251 4.644 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.239 9.823 1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.349 9.686 4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.134 9.777 2.548 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.508 11.940 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.599 13.182 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.578 11.682 5.127 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.510 11.758 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.627 13.317 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.234 11.898 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.545 11.916 1.432 1.00 0.00 H new ATOM 880 N LEU A 63 -2.014 7.274 3.899 1.00 0.00 N ATOM 881 CA LEU A 63 -1.905 5.821 3.962 1.00 0.00 C ATOM 882 C LEU A 63 -3.094 5.218 4.703 1.00 0.00 C ATOM 883 O LEU A 63 -3.842 5.926 5.376 1.00 0.00 O ATOM 884 CB LEU A 63 -0.601 5.417 4.653 1.00 0.00 C ATOM 885 CG LEU A 63 0.680 5.626 3.845 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.904 5.413 4.721 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.711 4.691 2.644 1.00 0.00 C ATOM 0 H LEU A 63 -2.253 7.718 4.786 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.903 5.437 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.516 5.980 5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.668 4.363 4.924 1.00 0.00 H new ATOM 0 HG LEU A 63 0.694 6.653 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.806 5.566 4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.888 6.123 5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.897 4.397 5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.630 4.853 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.674 3.657 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.148 4.892 2.004 1.00 0.00 H new ATOM 899 N GLN A 64 -3.261 3.905 4.575 1.00 0.00 N ATOM 900 CA GLN A 64 -4.358 3.207 5.233 1.00 0.00 C ATOM 901 C GLN A 64 -3.872 1.912 5.876 1.00 0.00 C ATOM 902 O GLN A 64 -2.756 1.462 5.618 1.00 0.00 O ATOM 903 CB GLN A 64 -5.474 2.906 4.231 1.00 0.00 C ATOM 904 CG GLN A 64 -5.132 1.788 3.259 1.00 0.00 C ATOM 905 CD GLN A 64 -6.322 1.357 2.424 1.00 0.00 C ATOM 906 OE1 GLN A 64 -7.105 2.187 1.963 1.00 0.00 O ATOM 907 NE2 GLN A 64 -6.464 0.051 2.225 1.00 0.00 N ATOM 0 H GLN A 64 -2.650 3.304 4.022 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.749 3.856 6.017 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.379 2.638 4.777 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.699 3.811 3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.330 2.118 2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.754 0.931 3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.791 -0.602 2.626 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.246 -0.298 1.671 1.00 0.00 H new ATOM 916 N GLU A 65 -4.718 1.318 6.713 1.00 0.00 N ATOM 917 CA GLU A 65 -4.372 0.075 7.392 1.00 0.00 C ATOM 918 C GLU A 65 -4.300 -1.084 6.403 1.00 0.00 C ATOM 919 O GLU A 65 -5.063 -1.139 5.439 1.00 0.00 O ATOM 920 CB GLU A 65 -5.397 -0.236 8.485 1.00 0.00 C ATOM 921 CG GLU A 65 -4.807 -0.963 9.683 1.00 0.00 C ATOM 922 CD GLU A 65 -5.811 -1.873 10.364 1.00 0.00 C ATOM 923 OE1 GLU A 65 -7.000 -1.497 10.437 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.407 -2.961 10.825 1.00 0.00 O ATOM 0 H GLU A 65 -5.646 1.677 6.936 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.390 0.201 7.849 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.850 0.696 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.196 -0.843 8.060 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.949 -1.552 9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.439 -0.231 10.402 1.00 0.00 H new ATOM 931 N ASN A 66 -3.378 -2.008 6.649 1.00 0.00 N ATOM 932 CA ASN A 66 -3.204 -3.166 5.780 1.00 0.00 C ATOM 933 C ASN A 66 -2.724 -2.741 4.396 1.00 0.00 C ATOM 934 O ASN A 66 -3.093 -3.343 3.387 1.00 0.00 O ATOM 935 CB ASN A 66 -4.518 -3.941 5.660 1.00 0.00 C ATOM 936 CG ASN A 66 -5.068 -4.360 7.010 1.00 0.00 C ATOM 937 OD1 ASN A 66 -4.610 -5.336 7.604 1.00 0.00 O ATOM 938 ND2 ASN A 66 -6.057 -3.621 7.500 1.00 0.00 N ATOM 0 H ASN A 66 -2.739 -1.978 7.444 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.447 -3.812 6.225 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.255 -3.324 5.146 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.359 -4.827 5.045 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.468 -3.854 8.404 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.405 -2.820 6.972 1.00 0.00 H new ATOM 945 N ASP A 67 -1.899 -1.700 4.356 1.00 0.00 N ATOM 946 CA ASP A 67 -1.366 -1.194 3.097 1.00 0.00 C ATOM 947 C ASP A 67 -0.144 -1.997 2.663 1.00 0.00 C ATOM 948 O ASP A 67 0.994 -1.589 2.897 1.00 0.00 O ATOM 949 CB ASP A 67 -1.000 0.285 3.231 1.00 0.00 C ATOM 950 CG ASP A 67 0.105 0.518 4.243 1.00 0.00 C ATOM 951 OD1 ASP A 67 0.480 -0.445 4.945 1.00 0.00 O ATOM 952 OD2 ASP A 67 0.594 1.663 4.333 1.00 0.00 O ATOM 0 H ASP A 67 -1.585 -1.190 5.182 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.138 -1.301 2.335 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.686 0.668 2.260 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.884 0.850 3.526 1.00 0.00 H new ATOM 957 N ARG A 68 -0.387 -3.139 2.029 1.00 0.00 N ATOM 958 CA ARG A 68 0.694 -4.000 1.565 1.00 0.00 C ATOM 959 C ARG A 68 1.896 -3.172 1.120 1.00 0.00 C ATOM 960 O ARG A 68 1.945 -2.688 -0.011 1.00 0.00 O ATOM 961 CB ARG A 68 0.213 -4.881 0.410 1.00 0.00 C ATOM 962 CG ARG A 68 -0.279 -6.250 0.853 1.00 0.00 C ATOM 963 CD ARG A 68 -1.391 -6.136 1.883 1.00 0.00 C ATOM 964 NE ARG A 68 -2.360 -7.222 1.766 1.00 0.00 N ATOM 965 CZ ARG A 68 -3.261 -7.508 2.699 1.00 0.00 C ATOM 966 NH1 ARG A 68 -3.316 -6.791 3.813 1.00 0.00 N ATOM 967 NH2 ARG A 68 -4.109 -8.512 2.519 1.00 0.00 N ATOM 0 H ARG A 68 -1.323 -3.490 1.825 1.00 0.00 H new ATOM 0 HA ARG A 68 1.000 -4.636 2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.592 -4.368 -0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.028 -5.010 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.639 -6.806 -0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.551 -6.818 1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.960 -6.142 2.884 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.901 -5.181 1.761 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.344 -7.793 0.921 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.666 -6.018 3.955 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.009 -7.012 4.528 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.070 -9.066 1.663 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.800 -8.730 3.236 1.00 0.00 H new ATOM 981 N VAL A 69 2.864 -3.012 2.017 1.00 0.00 N ATOM 982 CA VAL A 69 4.066 -2.243 1.717 1.00 0.00 C ATOM 983 C VAL A 69 4.955 -2.980 0.722 1.00 0.00 C ATOM 984 O VAL A 69 5.303 -4.143 0.926 1.00 0.00 O ATOM 985 CB VAL A 69 4.876 -1.948 2.993 1.00 0.00 C ATOM 986 CG1 VAL A 69 6.103 -1.111 2.665 1.00 0.00 C ATOM 987 CG2 VAL A 69 4.005 -1.250 4.027 1.00 0.00 C ATOM 0 H VAL A 69 2.839 -3.405 2.958 1.00 0.00 H new ATOM 0 HA VAL A 69 3.738 -1.301 1.278 1.00 0.00 H new ATOM 0 HB VAL A 69 5.214 -2.894 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.663 -0.913 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.736 -1.653 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.791 -0.167 2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.593 -1.049 4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.636 -0.310 3.617 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.161 -1.890 4.284 1.00 0.00 H new ATOM 997 N VAL A 70 5.321 -2.294 -0.356 1.00 0.00 N ATOM 998 CA VAL A 70 6.173 -2.882 -1.383 1.00 0.00 C ATOM 999 C VAL A 70 7.574 -2.283 -1.346 1.00 0.00 C ATOM 1000 O VAL A 70 8.563 -2.999 -1.194 1.00 0.00 O ATOM 1001 CB VAL A 70 5.577 -2.680 -2.789 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.396 -3.429 -3.829 1.00 0.00 C ATOM 1003 CG2 VAL A 70 4.123 -3.126 -2.821 1.00 0.00 C ATOM 0 H VAL A 70 5.041 -1.331 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 70 6.233 -3.950 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 70 5.612 -1.618 -3.030 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.960 -3.275 -4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.420 -3.057 -3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.396 -4.494 -3.595 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.718 -2.976 -3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.061 -4.182 -2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.547 -2.540 -2.105 1.00 0.00 H new ATOM 1013 N MET A 71 7.651 -0.963 -1.485 1.00 0.00 N ATOM 1014 CA MET A 71 8.931 -0.266 -1.465 1.00 0.00 C ATOM 1015 C MET A 71 8.873 0.953 -0.550 1.00 0.00 C ATOM 1016 O MET A 71 7.805 1.524 -0.328 1.00 0.00 O ATOM 1017 CB MET A 71 9.326 0.162 -2.880 1.00 0.00 C ATOM 1018 CG MET A 71 10.577 1.023 -2.928 1.00 0.00 C ATOM 1019 SD MET A 71 11.510 0.809 -4.456 1.00 0.00 S ATOM 1020 CE MET A 71 12.542 -0.591 -4.029 1.00 0.00 C ATOM 0 H MET A 71 6.842 -0.355 -1.613 1.00 0.00 H new ATOM 0 HA MET A 71 9.684 -0.953 -1.078 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.484 -0.728 -3.489 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.499 0.712 -3.328 1.00 0.00 H new ATOM 0 HG2 MET A 71 10.296 2.071 -2.822 1.00 0.00 H new ATOM 0 HG3 MET A 71 11.215 0.777 -2.080 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.586 -1.281 -4.872 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.547 -0.243 -3.792 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.122 -1.102 -3.163 1.00 0.00 H new ATOM 1030 N VAL A 72 10.027 1.347 -0.021 1.00 0.00 N ATOM 1031 CA VAL A 72 10.107 2.499 0.869 1.00 0.00 C ATOM 1032 C VAL A 72 11.352 3.330 0.582 1.00 0.00 C ATOM 1033 O VAL A 72 12.464 2.944 0.939 1.00 0.00 O ATOM 1034 CB VAL A 72 10.121 2.066 2.347 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.328 3.270 3.254 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.833 1.338 2.701 1.00 0.00 C ATOM 0 H VAL A 72 10.920 0.885 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 72 9.220 3.104 0.684 1.00 0.00 H new ATOM 0 HB VAL A 72 10.954 1.379 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.335 2.945 4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.279 3.746 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.518 3.983 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.860 1.039 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.983 2.000 2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.731 0.452 2.074 1.00 0.00 H new ATOM 1046 N ASN A 73 11.157 4.475 -0.065 1.00 0.00 N ATOM 1047 CA ASN A 73 12.265 5.362 -0.400 1.00 0.00 C ATOM 1048 C ASN A 73 13.289 4.646 -1.275 1.00 0.00 C ATOM 1049 O ASN A 73 14.482 4.942 -1.223 1.00 0.00 O ATOM 1050 CB ASN A 73 12.938 5.876 0.875 1.00 0.00 C ATOM 1051 CG ASN A 73 12.254 7.109 1.432 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.697 7.915 0.685 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.293 7.263 2.750 1.00 0.00 N ATOM 0 H ASN A 73 10.242 4.810 -0.367 1.00 0.00 H new ATOM 0 HA ASN A 73 11.864 6.208 -0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.932 5.089 1.629 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.982 6.107 0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.850 8.074 3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.766 6.570 3.331 1.00 0.00 H new ATOM 1060 N GLY A 74 12.814 3.701 -2.081 1.00 0.00 N ATOM 1061 CA GLY A 74 13.701 2.957 -2.957 1.00 0.00 C ATOM 1062 C GLY A 74 14.235 1.697 -2.306 1.00 0.00 C ATOM 1063 O GLY A 74 15.282 1.181 -2.700 1.00 0.00 O ATOM 0 H GLY A 74 11.831 3.437 -2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.167 2.693 -3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.536 3.594 -3.249 1.00 0.00 H new ATOM 1067 N THR A 75 13.517 1.199 -1.305 1.00 0.00 N ATOM 1068 CA THR A 75 13.926 -0.007 -0.596 1.00 0.00 C ATOM 1069 C THR A 75 12.811 -1.047 -0.591 1.00 0.00 C ATOM 1070 O THR A 75 11.674 -0.771 -0.209 1.00 0.00 O ATOM 1071 CB THR A 75 14.328 0.305 0.858 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.307 1.350 0.882 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.886 -0.934 1.543 1.00 0.00 C ATOM 0 H THR A 75 12.648 1.613 -0.966 1.00 0.00 H new ATOM 0 HA THR A 75 14.790 -0.407 -1.126 1.00 0.00 H new ATOM 0 HB THR A 75 13.437 0.629 1.396 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.114 1.962 1.623 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.163 -0.689 2.568 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.129 -1.718 1.549 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.766 -1.283 1.003 1.00 0.00 H new ATOM 1081 N PRO A 76 13.142 -2.273 -1.023 1.00 0.00 N ATOM 1082 CA PRO A 76 12.182 -3.379 -1.077 1.00 0.00 C ATOM 1083 C PRO A 76 11.785 -3.870 0.311 1.00 0.00 C ATOM 1084 O PRO A 76 12.640 -4.229 1.121 1.00 0.00 O ATOM 1085 CB PRO A 76 12.942 -4.472 -1.833 1.00 0.00 C ATOM 1086 CG PRO A 76 14.381 -4.170 -1.590 1.00 0.00 C ATOM 1087 CD PRO A 76 14.479 -2.673 -1.493 1.00 0.00 C ATOM 0 HA PRO A 76 11.247 -3.084 -1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.678 -5.464 -1.466 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.708 -4.453 -2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.730 -4.644 -0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.002 -4.550 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.259 -2.366 -0.796 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.718 -2.223 -2.457 1.00 0.00 H new ATOM 1095 N MET A 77 10.484 -3.883 0.579 1.00 0.00 N ATOM 1096 CA MET A 77 9.974 -4.332 1.870 1.00 0.00 C ATOM 1097 C MET A 77 9.315 -5.702 1.748 1.00 0.00 C ATOM 1098 O MET A 77 8.572 -6.124 2.634 1.00 0.00 O ATOM 1099 CB MET A 77 8.972 -3.318 2.427 1.00 0.00 C ATOM 1100 CG MET A 77 9.438 -1.876 2.310 1.00 0.00 C ATOM 1101 SD MET A 77 10.501 -1.376 3.678 1.00 0.00 S ATOM 1102 CE MET A 77 12.117 -1.519 2.920 1.00 0.00 C ATOM 0 H MET A 77 9.763 -3.588 -0.080 1.00 0.00 H new ATOM 0 HA MET A 77 10.816 -4.414 2.557 1.00 0.00 H new ATOM 0 HB2 MET A 77 8.024 -3.429 1.900 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.782 -3.546 3.476 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.976 -1.747 1.371 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.569 -1.219 2.272 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.888 -1.399 3.681 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.215 -2.500 2.455 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.233 -0.745 2.161 1.00 0.00 H new ATOM 1112 N GLU A 78 9.592 -6.391 0.645 1.00 0.00 N ATOM 1113 CA GLU A 78 9.024 -7.713 0.409 1.00 0.00 C ATOM 1114 C GLU A 78 9.938 -8.804 0.960 1.00 0.00 C ATOM 1115 O GLU A 78 11.102 -8.908 0.573 1.00 0.00 O ATOM 1116 CB GLU A 78 8.794 -7.933 -1.088 1.00 0.00 C ATOM 1117 CG GLU A 78 10.022 -7.659 -1.940 1.00 0.00 C ATOM 1118 CD GLU A 78 9.974 -8.369 -3.279 1.00 0.00 C ATOM 1119 OE1 GLU A 78 9.684 -9.584 -3.297 1.00 0.00 O ATOM 1120 OE2 GLU A 78 10.225 -7.709 -4.309 1.00 0.00 O ATOM 0 H GLU A 78 10.205 -6.056 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 78 8.067 -7.768 0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.472 -8.962 -1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.980 -7.288 -1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.112 -6.585 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.913 -7.974 -1.398 1.00 0.00 H new ATOM 1127 N ASP A 79 9.401 -9.615 1.865 1.00 0.00 N ATOM 1128 CA ASP A 79 10.167 -10.699 2.470 1.00 0.00 C ATOM 1129 C ASP A 79 11.298 -10.149 3.333 1.00 0.00 C ATOM 1130 O ASP A 79 12.431 -10.625 3.266 1.00 0.00 O ATOM 1131 CB ASP A 79 10.735 -11.616 1.386 1.00 0.00 C ATOM 1132 CG ASP A 79 10.854 -13.055 1.849 1.00 0.00 C ATOM 1133 OD1 ASP A 79 10.182 -13.417 2.837 1.00 0.00 O ATOM 1134 OD2 ASP A 79 11.621 -13.818 1.225 1.00 0.00 O ATOM 0 H ASP A 79 8.439 -9.543 2.196 1.00 0.00 H new ATOM 0 HA ASP A 79 9.496 -11.275 3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.094 -11.573 0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.717 -11.252 1.084 1.00 0.00 H new ATOM 1139 N VAL A 80 10.982 -9.144 4.144 1.00 0.00 N ATOM 1140 CA VAL A 80 11.971 -8.530 5.021 1.00 0.00 C ATOM 1141 C VAL A 80 11.522 -8.581 6.477 1.00 0.00 C ATOM 1142 O VAL A 80 10.361 -8.870 6.771 1.00 0.00 O ATOM 1143 CB VAL A 80 12.236 -7.064 4.629 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.600 -6.963 3.155 1.00 0.00 C ATOM 1145 CG2 VAL A 80 11.024 -6.200 4.947 1.00 0.00 C ATOM 0 H VAL A 80 10.049 -8.738 4.211 1.00 0.00 H new ATOM 0 HA VAL A 80 12.892 -9.101 4.907 1.00 0.00 H new ATOM 0 HB VAL A 80 13.079 -6.697 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.784 -5.920 2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.499 -7.549 2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.779 -7.348 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.229 -5.168 4.664 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.161 -6.565 4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.813 -6.248 6.015 1.00 0.00 H new ATOM 1155 N LEU A 81 12.449 -8.299 7.386 1.00 0.00 N ATOM 1156 CA LEU A 81 12.149 -8.313 8.814 1.00 0.00 C ATOM 1157 C LEU A 81 11.480 -7.011 9.242 1.00 0.00 C ATOM 1158 O LEU A 81 11.761 -5.946 8.691 1.00 0.00 O ATOM 1159 CB LEU A 81 13.429 -8.532 9.622 1.00 0.00 C ATOM 1160 CG LEU A 81 14.022 -9.941 9.572 1.00 0.00 C ATOM 1161 CD1 LEU A 81 15.354 -9.986 10.303 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.050 -10.950 10.167 1.00 0.00 C ATOM 0 H LEU A 81 13.414 -8.058 7.160 1.00 0.00 H new ATOM 0 HA LEU A 81 11.460 -9.135 9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.183 -7.829 9.268 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.225 -8.282 10.663 1.00 0.00 H new ATOM 0 HG LEU A 81 14.195 -10.205 8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.760 -10.996 10.257 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.051 -9.293 9.832 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.207 -9.701 11.345 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.488 -11.947 10.123 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.845 -10.689 11.205 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.120 -10.937 9.599 1.00 0.00 H new ATOM 1174 N HIS A 82 10.596 -7.103 10.231 1.00 0.00 N ATOM 1175 CA HIS A 82 9.889 -5.931 10.735 1.00 0.00 C ATOM 1176 C HIS A 82 10.867 -4.807 11.064 1.00 0.00 C ATOM 1177 O HIS A 82 10.565 -3.630 10.864 1.00 0.00 O ATOM 1178 CB HIS A 82 9.077 -6.296 11.978 1.00 0.00 C ATOM 1179 CG HIS A 82 8.688 -5.111 12.809 1.00 0.00 C ATOM 1180 ND1 HIS A 82 9.447 -4.170 13.419 1.00 0.00 N flip ATOM 1181 CD2 HIS A 82 7.378 -4.788 13.093 1.00 0.00 C flip ATOM 1182 CE1 HIS A 82 8.590 -3.305 14.053 1.00 0.00 C flip ATOM 1183 NE2 HIS A 82 7.347 -3.700 13.840 1.00 0.00 N flip ATOM 0 H HIS A 82 10.353 -7.976 10.699 1.00 0.00 H new ATOM 0 HA HIS A 82 9.211 -5.582 9.956 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.175 -6.825 11.670 1.00 0.00 H new ATOM 0 HB3 HIS A 82 9.657 -6.985 12.592 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.512 -5.339 12.757 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.884 -2.442 14.632 1.00 0.00 H new ATOM 0 HE2 HIS A 82 6.507 -3.242 14.193 1.00 0.00 H new ATOM 1192 N SER A 83 12.039 -5.177 11.570 1.00 0.00 N ATOM 1193 CA SER A 83 13.059 -4.199 11.930 1.00 0.00 C ATOM 1194 C SER A 83 13.656 -3.553 10.684 1.00 0.00 C ATOM 1195 O SER A 83 14.048 -2.386 10.703 1.00 0.00 O ATOM 1196 CB SER A 83 14.164 -4.864 12.754 1.00 0.00 C ATOM 1197 OG SER A 83 14.935 -3.897 13.446 1.00 0.00 O ATOM 0 H SER A 83 12.306 -6.147 11.740 1.00 0.00 H new ATOM 0 HA SER A 83 12.587 -3.421 12.530 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.722 -5.560 13.467 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.810 -5.448 12.098 1.00 0.00 H new ATOM 0 HG SER A 83 15.633 -4.347 13.966 1.00 0.00 H new ATOM 1203 N PHE A 84 13.723 -4.320 9.601 1.00 0.00 N ATOM 1204 CA PHE A 84 14.274 -3.824 8.345 1.00 0.00 C ATOM 1205 C PHE A 84 13.324 -2.825 7.692 1.00 0.00 C ATOM 1206 O PHE A 84 13.751 -1.797 7.167 1.00 0.00 O ATOM 1207 CB PHE A 84 14.546 -4.987 7.389 1.00 0.00 C ATOM 1208 CG PHE A 84 15.024 -4.549 6.034 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.361 -4.253 5.819 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.138 -4.434 4.975 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.804 -3.850 4.573 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.575 -4.032 3.728 1.00 0.00 C ATOM 1213 CZ PHE A 84 15.910 -3.739 3.527 1.00 0.00 C ATOM 0 H PHE A 84 13.403 -5.288 9.568 1.00 0.00 H new ATOM 0 HA PHE A 84 15.213 -3.316 8.564 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.292 -5.645 7.833 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.634 -5.572 7.272 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.064 -4.338 6.634 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.093 -4.661 5.126 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.848 -3.622 4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.874 -3.947 2.911 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.254 -3.424 2.553 1.00 0.00 H new ATOM 1223 N ALA A 85 12.032 -3.136 7.728 1.00 0.00 N ATOM 1224 CA ALA A 85 11.020 -2.265 7.141 1.00 0.00 C ATOM 1225 C ALA A 85 10.946 -0.934 7.881 1.00 0.00 C ATOM 1226 O ALA A 85 10.977 0.132 7.266 1.00 0.00 O ATOM 1227 CB ALA A 85 9.663 -2.953 7.149 1.00 0.00 C ATOM 0 H ALA A 85 11.661 -3.984 8.157 1.00 0.00 H new ATOM 0 HA ALA A 85 11.305 -2.061 6.109 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.917 -2.292 6.708 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.719 -3.874 6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.379 -3.186 8.175 1.00 0.00 H new ATOM 1233 N VAL A 86 10.845 -1.003 9.205 1.00 0.00 N ATOM 1234 CA VAL A 86 10.766 0.197 10.029 1.00 0.00 C ATOM 1235 C VAL A 86 12.034 1.034 9.904 1.00 0.00 C ATOM 1236 O VAL A 86 11.978 2.263 9.879 1.00 0.00 O ATOM 1237 CB VAL A 86 10.540 -0.154 11.511 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.475 -1.273 11.944 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.728 1.077 12.385 1.00 0.00 C ATOM 0 H VAL A 86 10.816 -1.877 9.729 1.00 0.00 H new ATOM 0 HA VAL A 86 9.916 0.775 9.666 1.00 0.00 H new ATOM 0 HB VAL A 86 9.514 -0.503 11.631 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.300 -1.507 12.994 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.286 -2.159 11.338 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.509 -0.955 11.810 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.564 0.810 13.429 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.742 1.459 12.262 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.013 1.845 12.090 1.00 0.00 H new ATOM 1249 N GLN A 87 13.177 0.360 9.825 1.00 0.00 N ATOM 1250 CA GLN A 87 14.460 1.042 9.703 1.00 0.00 C ATOM 1251 C GLN A 87 14.369 2.198 8.712 1.00 0.00 C ATOM 1252 O GLN A 87 14.656 3.344 9.055 1.00 0.00 O ATOM 1253 CB GLN A 87 15.544 0.058 9.260 1.00 0.00 C ATOM 1254 CG GLN A 87 16.940 0.441 9.725 1.00 0.00 C ATOM 1255 CD GLN A 87 17.312 -0.204 11.045 1.00 0.00 C ATOM 1256 OE1 GLN A 87 17.267 0.435 12.096 1.00 0.00 O ATOM 1257 NE2 GLN A 87 17.684 -1.478 10.997 1.00 0.00 N ATOM 0 H GLN A 87 13.241 -0.658 9.843 1.00 0.00 H new ATOM 0 HA GLN A 87 14.724 1.446 10.681 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.302 -0.933 9.643 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.538 -0.010 8.172 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.665 0.149 8.965 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.001 1.525 9.824 1.00 0.00 H new ATOM 0 HE21 GLN A 87 17.707 -1.969 10.103 1.00 0.00 H new ATOM 0 HE22 GLN A 87 17.947 -1.965 11.854 1.00 0.00 H new ATOM 1266 N GLN A 88 13.969 1.888 7.483 1.00 0.00 N ATOM 1267 CA GLN A 88 13.842 2.901 6.443 1.00 0.00 C ATOM 1268 C GLN A 88 13.028 4.092 6.940 1.00 0.00 C ATOM 1269 O GLN A 88 13.355 5.244 6.652 1.00 0.00 O ATOM 1270 CB GLN A 88 13.186 2.304 5.197 1.00 0.00 C ATOM 1271 CG GLN A 88 13.899 1.072 4.665 1.00 0.00 C ATOM 1272 CD GLN A 88 15.241 1.398 4.041 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.368 2.355 3.277 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.254 0.602 4.364 1.00 0.00 N ATOM 0 H GLN A 88 13.727 0.943 7.184 1.00 0.00 H new ATOM 0 HA GLN A 88 14.842 3.249 6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.153 2.044 5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.155 3.062 4.414 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.044 0.361 5.479 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.267 0.583 3.924 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.105 -0.180 5.001 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.181 0.773 3.975 1.00 0.00 H new ATOM 1283 N LEU A 89 11.967 3.807 7.686 1.00 0.00 N ATOM 1284 CA LEU A 89 11.106 4.855 8.223 1.00 0.00 C ATOM 1285 C LEU A 89 11.864 5.725 9.220 1.00 0.00 C ATOM 1286 O LEU A 89 11.827 6.953 9.140 1.00 0.00 O ATOM 1287 CB LEU A 89 9.879 4.238 8.897 1.00 0.00 C ATOM 1288 CG LEU A 89 9.088 3.231 8.061 1.00 0.00 C ATOM 1289 CD1 LEU A 89 7.903 2.696 8.849 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.622 3.869 6.760 1.00 0.00 C ATOM 0 H LEU A 89 11.682 2.859 7.933 1.00 0.00 H new ATOM 0 HA LEU A 89 10.781 5.484 7.394 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.203 3.744 9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.207 5.044 9.190 1.00 0.00 H new ATOM 0 HG LEU A 89 9.743 2.394 7.819 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.352 1.981 8.238 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.260 2.202 9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.246 3.521 9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.061 3.139 6.177 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.983 4.724 6.982 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.488 4.202 6.188 1.00 0.00 H new ATOM 1302 N ARG A 90 12.551 5.081 10.157 1.00 0.00 N ATOM 1303 CA ARG A 90 13.319 5.797 11.169 1.00 0.00 C ATOM 1304 C ARG A 90 14.557 6.444 10.555 1.00 0.00 C ATOM 1305 O ARG A 90 15.122 7.384 11.115 1.00 0.00 O ATOM 1306 CB ARG A 90 13.733 4.846 12.294 1.00 0.00 C ATOM 1307 CG ARG A 90 14.358 3.552 11.798 1.00 0.00 C ATOM 1308 CD ARG A 90 14.873 2.705 12.951 1.00 0.00 C ATOM 1309 NE ARG A 90 13.820 2.396 13.916 1.00 0.00 N ATOM 1310 CZ ARG A 90 14.056 2.075 15.183 1.00 0.00 C ATOM 1311 NH1 ARG A 90 15.301 2.022 15.637 1.00 0.00 N ATOM 1312 NH2 ARG A 90 13.045 1.808 16.000 1.00 0.00 N ATOM 0 H ARG A 90 12.592 4.065 10.237 1.00 0.00 H new ATOM 0 HA ARG A 90 12.685 6.582 11.581 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.442 5.355 12.947 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.857 4.609 12.898 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.621 2.985 11.229 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.179 3.780 11.118 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.291 1.777 12.561 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.683 3.232 13.455 1.00 0.00 H new ATOM 0 HE ARG A 90 12.851 2.429 13.599 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.081 2.228 15.013 1.00 0.00 H new ATOM 0 HH12 ARG A 90 15.479 1.775 16.611 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.086 1.849 15.655 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.227 1.562 16.973 1.00 0.00 H new ATOM 1326 N LYS A 91 14.974 5.934 9.401 1.00 0.00 N ATOM 1327 CA LYS A 91 16.145 6.462 8.710 1.00 0.00 C ATOM 1328 C LYS A 91 15.794 7.728 7.934 1.00 0.00 C ATOM 1329 O LYS A 91 16.544 8.703 7.948 1.00 0.00 O ATOM 1330 CB LYS A 91 16.717 5.410 7.757 1.00 0.00 C ATOM 1331 CG LYS A 91 17.408 4.258 8.467 1.00 0.00 C ATOM 1332 CD LYS A 91 17.670 3.097 7.522 1.00 0.00 C ATOM 1333 CE LYS A 91 19.018 3.234 6.832 1.00 0.00 C ATOM 1334 NZ LYS A 91 19.554 1.914 6.396 1.00 0.00 N ATOM 0 H LYS A 91 14.519 5.156 8.924 1.00 0.00 H new ATOM 0 HA LYS A 91 16.896 6.712 9.459 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.911 5.014 7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.428 5.890 7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.351 4.604 8.890 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.790 3.919 9.299 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.638 2.160 8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 91 16.880 3.051 6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.918 3.889 5.967 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.727 3.708 7.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.474 2.050 5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.673 1.297 7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.890 1.473 5.729 1.00 0.00 H new ATOM 1348 N SER A 92 14.648 7.705 7.260 1.00 0.00 N ATOM 1349 CA SER A 92 14.199 8.850 6.477 1.00 0.00 C ATOM 1350 C SER A 92 14.359 10.145 7.268 1.00 0.00 C ATOM 1351 O SER A 92 13.869 10.266 8.390 1.00 0.00 O ATOM 1352 CB SER A 92 12.737 8.670 6.063 1.00 0.00 C ATOM 1353 OG SER A 92 12.422 9.477 4.942 1.00 0.00 O ATOM 0 H SER A 92 14.014 6.906 7.241 1.00 0.00 H new ATOM 0 HA SER A 92 14.818 8.912 5.582 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.549 7.623 5.826 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.085 8.930 6.897 1.00 0.00 H new ATOM 0 HG SER A 92 12.025 10.320 5.247 1.00 0.00 H new ATOM 1359 N GLY A 93 15.051 11.113 6.673 1.00 0.00 N ATOM 1360 CA GLY A 93 15.265 12.386 7.335 1.00 0.00 C ATOM 1361 C GLY A 93 13.976 12.995 7.852 1.00 0.00 C ATOM 1362 O GLY A 93 13.710 12.976 9.054 1.00 0.00 O ATOM 0 H GLY A 93 15.467 11.038 5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.957 12.248 8.166 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.737 13.079 6.639 1.00 0.00 H new ATOM 1366 N LYS A 94 13.174 13.538 6.943 1.00 0.00 N ATOM 1367 CA LYS A 94 11.905 14.155 7.312 1.00 0.00 C ATOM 1368 C LYS A 94 10.773 13.644 6.427 1.00 0.00 C ATOM 1369 O LYS A 94 9.702 13.287 6.919 1.00 0.00 O ATOM 1370 CB LYS A 94 12.005 15.678 7.202 1.00 0.00 C ATOM 1371 CG LYS A 94 10.689 16.394 7.453 1.00 0.00 C ATOM 1372 CD LYS A 94 10.517 16.746 8.921 1.00 0.00 C ATOM 1373 CE LYS A 94 9.672 17.998 9.098 1.00 0.00 C ATOM 1374 NZ LYS A 94 10.491 19.238 9.011 1.00 0.00 N ATOM 0 H LYS A 94 13.380 13.564 5.944 1.00 0.00 H new ATOM 0 HA LYS A 94 11.685 13.884 8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.746 16.037 7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.367 15.939 6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.648 17.303 6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.862 15.761 7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.048 15.912 9.444 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.495 16.898 9.377 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.895 18.022 8.334 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.169 17.963 10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.878 20.069 9.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.217 19.228 9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.951 19.285 8.080 1.00 0.00 H new ATOM 1388 N ILE A 95 11.018 13.610 5.122 1.00 0.00 N ATOM 1389 CA ILE A 95 10.019 13.140 4.170 1.00 0.00 C ATOM 1390 C ILE A 95 10.374 11.754 3.641 1.00 0.00 C ATOM 1391 O ILE A 95 11.533 11.471 3.342 1.00 0.00 O ATOM 1392 CB ILE A 95 9.874 14.109 2.982 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.659 15.538 3.484 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.722 13.678 2.085 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.446 15.689 4.376 1.00 0.00 C ATOM 0 H ILE A 95 11.899 13.902 4.699 1.00 0.00 H new ATOM 0 HA ILE A 95 9.071 13.090 4.705 1.00 0.00 H new ATOM 0 HB ILE A 95 10.794 14.084 2.398 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.545 15.859 4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.555 16.204 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.632 14.372 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 95 8.913 12.675 1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.795 13.678 2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.356 16.728 4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.551 15.399 3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.556 15.049 5.252 1.00 0.00 H new ATOM 1407 N ALA A 96 9.366 10.895 3.526 1.00 0.00 N ATOM 1408 CA ALA A 96 9.570 9.540 3.029 1.00 0.00 C ATOM 1409 C ALA A 96 8.544 9.188 1.958 1.00 0.00 C ATOM 1410 O ALA A 96 7.447 9.745 1.929 1.00 0.00 O ATOM 1411 CB ALA A 96 9.504 8.542 4.175 1.00 0.00 C ATOM 0 H ALA A 96 8.400 11.114 3.770 1.00 0.00 H new ATOM 0 HA ALA A 96 10.560 9.491 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.658 7.534 3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.280 8.774 4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.527 8.602 4.654 1.00 0.00 H new ATOM 1417 N ALA A 97 8.907 8.260 1.079 1.00 0.00 N ATOM 1418 CA ALA A 97 8.017 7.832 0.007 1.00 0.00 C ATOM 1419 C ALA A 97 7.769 6.328 0.066 1.00 0.00 C ATOM 1420 O ALA A 97 8.632 5.533 -0.306 1.00 0.00 O ATOM 1421 CB ALA A 97 8.594 8.221 -1.345 1.00 0.00 C ATOM 0 H ALA A 97 9.812 7.790 1.088 1.00 0.00 H new ATOM 0 HA ALA A 97 7.060 8.337 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.919 7.895 -2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.713 9.304 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.565 7.744 -1.477 1.00 0.00 H new ATOM 1427 N ILE A 98 6.586 5.947 0.536 1.00 0.00 N ATOM 1428 CA ILE A 98 6.226 4.538 0.644 1.00 0.00 C ATOM 1429 C ILE A 98 5.291 4.123 -0.487 1.00 0.00 C ATOM 1430 O ILE A 98 4.338 4.832 -0.812 1.00 0.00 O ATOM 1431 CB ILE A 98 5.550 4.231 1.993 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.452 4.663 3.150 1.00 0.00 C ATOM 1433 CG2 ILE A 98 5.221 2.749 2.095 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.750 4.680 4.490 1.00 0.00 C ATOM 0 H ILE A 98 5.861 6.593 0.848 1.00 0.00 H new ATOM 0 HA ILE A 98 7.153 3.969 0.575 1.00 0.00 H new ATOM 0 HB ILE A 98 4.619 4.795 2.053 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.306 3.989 3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.844 5.658 2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 98 4.744 2.547 3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.544 2.470 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.139 2.166 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.450 4.996 5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.912 5.376 4.453 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.381 3.680 4.720 1.00 0.00 H new ATOM 1446 N VAL A 99 5.569 2.967 -1.083 1.00 0.00 N ATOM 1447 CA VAL A 99 4.751 2.454 -2.176 1.00 0.00 C ATOM 1448 C VAL A 99 3.959 1.227 -1.740 1.00 0.00 C ATOM 1449 O VAL A 99 4.483 0.113 -1.715 1.00 0.00 O ATOM 1450 CB VAL A 99 5.613 2.088 -3.398 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.733 1.728 -4.585 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.553 3.232 -3.749 1.00 0.00 C ATOM 0 H VAL A 99 6.354 2.368 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 99 4.059 3.249 -2.454 1.00 0.00 H new ATOM 0 HB VAL A 99 6.216 1.216 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.360 1.472 -5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.106 0.875 -4.327 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.101 2.579 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 99 7.155 2.956 -4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.970 4.123 -3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.208 3.437 -2.903 1.00 0.00 H new ATOM 1462 N VAL A 100 2.691 1.438 -1.398 1.00 0.00 N ATOM 1463 CA VAL A 100 1.825 0.348 -0.965 1.00 0.00 C ATOM 1464 C VAL A 100 0.832 -0.033 -2.058 1.00 0.00 C ATOM 1465 O VAL A 100 0.677 0.683 -3.048 1.00 0.00 O ATOM 1466 CB VAL A 100 1.049 0.722 0.311 1.00 0.00 C ATOM 1467 CG1 VAL A 100 2.008 1.108 1.427 1.00 0.00 C ATOM 1468 CG2 VAL A 100 0.067 1.849 0.027 1.00 0.00 C ATOM 0 H VAL A 100 2.242 2.354 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 100 2.471 -0.504 -0.752 1.00 0.00 H new ATOM 0 HB VAL A 100 0.482 -0.150 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.441 1.369 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.666 0.268 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.605 1.964 1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.473 2.100 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.611 2.725 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.642 1.530 -0.737 1.00 0.00 H new ATOM 1478 N LYS A 101 0.161 -1.164 -1.872 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.820 -1.640 -2.840 1.00 0.00 C ATOM 1480 C LYS A 101 -2.082 -2.133 -2.139 1.00 0.00 C ATOM 1481 O LYS A 101 -2.030 -3.048 -1.317 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.223 -2.765 -3.689 1.00 0.00 C ATOM 1483 CG LYS A 101 0.255 -3.954 -2.874 1.00 0.00 C ATOM 1484 CD LYS A 101 0.936 -4.993 -3.749 1.00 0.00 C ATOM 1485 CE LYS A 101 1.133 -6.306 -3.007 1.00 0.00 C ATOM 1486 NZ LYS A 101 2.320 -7.053 -3.507 1.00 0.00 N ATOM 0 H LYS A 101 0.279 -1.769 -1.059 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.089 -0.806 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.971 -3.104 -4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.614 -2.370 -4.264 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.949 -3.614 -2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.592 -4.408 -2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.337 -5.166 -4.643 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.902 -4.613 -4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.251 -6.107 -1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.242 -6.924 -3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.420 -7.942 -2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.196 -7.265 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.174 -6.474 -3.377 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.214 -1.521 -2.470 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.489 -1.898 -1.872 1.00 0.00 C ATOM 1502 C ARG A 102 -5.340 -2.691 -2.860 1.00 0.00 C ATOM 1503 O ARG A 102 -5.516 -2.304 -4.015 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.250 -0.652 -1.413 1.00 0.00 C ATOM 1505 CG ARG A 102 -4.482 0.196 -0.412 1.00 0.00 C ATOM 1506 CD ARG A 102 -4.879 1.661 -0.503 1.00 0.00 C ATOM 1507 NE ARG A 102 -3.774 2.550 -0.155 1.00 0.00 N ATOM 1508 CZ ARG A 102 -3.941 3.787 0.300 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -5.162 4.278 0.462 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -2.886 4.535 0.595 1.00 0.00 N ATOM 0 H ARG A 102 -3.274 -0.762 -3.149 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.283 -2.529 -1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.491 -0.042 -2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.196 -0.958 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.670 -0.171 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.412 0.096 -0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.218 1.883 -1.515 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.720 1.851 0.163 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.822 2.202 -0.267 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.976 3.706 0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.287 5.228 0.812 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.945 4.161 0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.016 5.485 0.944 1.00 0.00 H new ATOM 1524 N PRO A 103 -5.879 -3.828 -2.396 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.720 -4.699 -3.223 1.00 0.00 C ATOM 1526 C PRO A 103 -8.073 -4.071 -3.538 1.00 0.00 C ATOM 1527 O PRO A 103 -8.857 -3.778 -2.635 1.00 0.00 O ATOM 1528 CB PRO A 103 -6.899 -5.947 -2.354 1.00 0.00 C ATOM 1529 CG PRO A 103 -6.718 -5.464 -0.956 1.00 0.00 C ATOM 1530 CD PRO A 103 -5.711 -4.350 -1.030 1.00 0.00 C ATOM 0 HA PRO A 103 -6.268 -4.899 -4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -7.885 -6.390 -2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.166 -6.713 -2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.661 -5.110 -0.540 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.365 -6.267 -0.308 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.905 -3.583 -0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.697 -4.713 -0.860 1.00 0.00 H new ATOM 1538 N ARG A 104 -8.340 -3.866 -4.824 1.00 0.00 N ATOM 1539 CA ARG A 104 -9.598 -3.271 -5.257 1.00 0.00 C ATOM 1540 C ARG A 104 -10.503 -4.319 -5.899 1.00 0.00 C ATOM 1541 O ARG A 104 -10.433 -4.562 -7.104 1.00 0.00 O ATOM 1542 CB ARG A 104 -9.335 -2.135 -6.247 1.00 0.00 C ATOM 1543 CG ARG A 104 -10.449 -1.102 -6.298 1.00 0.00 C ATOM 1544 CD ARG A 104 -10.559 -0.468 -7.676 1.00 0.00 C ATOM 1545 NE ARG A 104 -11.453 -1.219 -8.554 1.00 0.00 N ATOM 1546 CZ ARG A 104 -12.774 -1.081 -8.549 1.00 0.00 C ATOM 1547 NH1 ARG A 104 -13.352 -0.225 -7.716 1.00 0.00 N ATOM 1548 NH2 ARG A 104 -13.521 -1.799 -9.378 1.00 0.00 N ATOM 0 H ARG A 104 -7.702 -4.103 -5.584 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.102 -2.869 -4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.403 -1.639 -5.978 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.196 -2.557 -7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.396 -1.574 -6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.263 -0.328 -5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -10.923 0.555 -7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.569 -0.411 -8.129 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.040 -1.886 -9.206 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -12.782 0.329 -7.077 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.367 -0.121 -7.714 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.081 -2.458 -10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -14.535 -1.692 -9.373 1.00 0.00 H new ATOM 1562 N LYS A 105 -11.352 -4.938 -5.085 1.00 0.00 N ATOM 1563 CA LYS A 105 -12.271 -5.960 -5.572 1.00 0.00 C ATOM 1564 C LYS A 105 -13.217 -5.386 -6.621 1.00 0.00 C ATOM 1565 O LYS A 105 -13.730 -4.277 -6.468 1.00 0.00 O ATOM 1566 CB LYS A 105 -13.076 -6.546 -4.410 1.00 0.00 C ATOM 1567 CG LYS A 105 -12.407 -7.736 -3.745 1.00 0.00 C ATOM 1568 CD LYS A 105 -13.153 -8.168 -2.493 1.00 0.00 C ATOM 1569 CE LYS A 105 -12.449 -9.323 -1.796 1.00 0.00 C ATOM 1570 NZ LYS A 105 -11.152 -8.902 -1.198 1.00 0.00 N ATOM 0 H LYS A 105 -11.423 -4.750 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.682 -6.752 -6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.240 -5.768 -3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.057 -6.849 -4.775 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.361 -8.568 -4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.379 -7.480 -3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.236 -7.324 -1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.168 -8.465 -2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.095 -9.725 -1.016 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.275 -10.127 -2.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -10.794 -9.657 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.463 -8.719 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.292 -8.035 -0.641 1.00 0.00 H new ATOM 1584 N VAL A 106 -13.445 -6.148 -7.686 1.00 0.00 N ATOM 1585 CA VAL A 106 -14.332 -5.715 -8.760 1.00 0.00 C ATOM 1586 C VAL A 106 -15.739 -5.449 -8.236 1.00 0.00 C ATOM 1587 O VAL A 106 -16.442 -6.371 -7.824 1.00 0.00 O ATOM 1588 CB VAL A 106 -14.404 -6.764 -9.885 1.00 0.00 C ATOM 1589 CG1 VAL A 106 -15.324 -6.289 -11.000 1.00 0.00 C ATOM 1590 CG2 VAL A 106 -13.013 -7.066 -10.422 1.00 0.00 C ATOM 0 H VAL A 106 -13.028 -7.068 -7.828 1.00 0.00 H new ATOM 0 HA VAL A 106 -13.916 -4.791 -9.162 1.00 0.00 H new ATOM 0 HB VAL A 106 -14.817 -7.685 -9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -15.362 -7.043 -11.786 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -16.326 -6.129 -10.602 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -14.944 -5.354 -11.412 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -13.083 -7.809 -11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.570 -6.152 -10.818 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.388 -7.453 -9.617 1.00 0.00 H new ATOM 1600 N GLN A 107 -16.143 -4.183 -8.257 1.00 0.00 N ATOM 1601 CA GLN A 107 -17.467 -3.796 -7.784 1.00 0.00 C ATOM 1602 C GLN A 107 -18.030 -2.651 -8.620 1.00 0.00 C ATOM 1603 O GLN A 107 -17.363 -2.138 -9.518 1.00 0.00 O ATOM 1604 CB GLN A 107 -17.406 -3.387 -6.312 1.00 0.00 C ATOM 1605 CG GLN A 107 -16.531 -2.171 -6.054 1.00 0.00 C ATOM 1606 CD GLN A 107 -16.415 -1.837 -4.580 1.00 0.00 C ATOM 1607 OE1 GLN A 107 -16.327 -2.728 -3.735 1.00 0.00 O ATOM 1608 NE2 GLN A 107 -16.415 -0.547 -4.263 1.00 0.00 N ATOM 0 H GLN A 107 -15.573 -3.408 -8.596 1.00 0.00 H new ATOM 0 HA GLN A 107 -18.128 -4.656 -7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -18.416 -3.179 -5.959 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -17.030 -4.226 -5.726 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -15.536 -2.351 -6.461 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -16.942 -1.313 -6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -16.490 0.158 -4.996 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.340 -0.262 -3.287 1.00 0.00 H new ATOM 1617 N VAL A 108 -19.263 -2.257 -8.319 1.00 0.00 N ATOM 1618 CA VAL A 108 -19.917 -1.172 -9.042 1.00 0.00 C ATOM 1619 C VAL A 108 -20.611 -0.212 -8.082 1.00 0.00 C ATOM 1620 O VAL A 108 -20.903 -0.563 -6.940 1.00 0.00 O ATOM 1621 CB VAL A 108 -20.950 -1.711 -10.049 1.00 0.00 C ATOM 1622 CG1 VAL A 108 -20.274 -2.590 -11.090 1.00 0.00 C ATOM 1623 CG2 VAL A 108 -22.049 -2.476 -9.326 1.00 0.00 C ATOM 0 H VAL A 108 -19.829 -2.673 -7.580 1.00 0.00 H new ATOM 0 HA VAL A 108 -19.137 -0.638 -9.585 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.405 -0.865 -10.564 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -21.020 -2.961 -11.793 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -19.527 -2.007 -11.629 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.790 -3.432 -10.596 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -22.770 -2.850 -10.052 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -21.612 -3.315 -8.784 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -22.553 -1.812 -8.623 1.00 0.00 H new ATOM 1633 N ALA A 109 -20.873 1.002 -8.555 1.00 0.00 N ATOM 1634 CA ALA A 109 -21.536 2.013 -7.740 1.00 0.00 C ATOM 1635 C ALA A 109 -22.689 2.661 -8.499 1.00 0.00 C ATOM 1636 O ALA A 109 -22.560 3.047 -9.661 1.00 0.00 O ATOM 1637 CB ALA A 109 -20.536 3.069 -7.293 1.00 0.00 C ATOM 0 H ALA A 109 -20.636 1.309 -9.498 1.00 0.00 H new ATOM 0 HA ALA A 109 -21.947 1.521 -6.858 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -21.044 3.818 -6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -19.748 2.598 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -20.098 3.549 -8.168 1.00 0.00 H new ATOM 1643 N PRO A 110 -23.844 2.783 -7.829 1.00 0.00 N ATOM 1644 CA PRO A 110 -25.043 3.384 -8.422 1.00 0.00 C ATOM 1645 C PRO A 110 -24.893 4.887 -8.635 1.00 0.00 C ATOM 1646 O PRO A 110 -23.822 5.452 -8.413 1.00 0.00 O ATOM 1647 CB PRO A 110 -26.133 3.096 -7.387 1.00 0.00 C ATOM 1648 CG PRO A 110 -25.402 2.952 -6.097 1.00 0.00 C ATOM 1649 CD PRO A 110 -24.070 2.345 -6.442 1.00 0.00 C ATOM 0 HA PRO A 110 -25.257 2.977 -9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -26.860 3.907 -7.342 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -26.683 2.188 -7.634 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -25.276 3.919 -5.610 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -25.953 2.316 -5.405 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -23.283 2.698 -5.776 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -24.091 1.258 -6.362 1.00 0.00 H new ATOM 1657 N LEU A 111 -25.974 5.529 -9.065 1.00 0.00 N ATOM 1658 CA LEU A 111 -25.963 6.968 -9.307 1.00 0.00 C ATOM 1659 C LEU A 111 -26.125 7.740 -8.002 1.00 0.00 C ATOM 1660 O LEU A 111 -26.875 7.331 -7.115 1.00 0.00 O ATOM 1661 CB LEU A 111 -27.079 7.349 -10.281 1.00 0.00 C ATOM 1662 CG LEU A 111 -26.932 8.705 -10.972 1.00 0.00 C ATOM 1663 CD1 LEU A 111 -26.000 8.597 -12.168 1.00 0.00 C ATOM 1664 CD2 LEU A 111 -28.293 9.236 -11.400 1.00 0.00 C ATOM 0 H LEU A 111 -26.869 5.076 -9.253 1.00 0.00 H new ATOM 0 HA LEU A 111 -25.001 7.231 -9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -27.143 6.578 -11.048 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -28.025 7.340 -9.740 1.00 0.00 H new ATOM 0 HG LEU A 111 -26.497 9.408 -10.261 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -25.908 9.572 -12.647 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -25.018 8.262 -11.835 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -26.405 7.879 -12.881 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -28.169 10.202 -11.890 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -28.756 8.534 -12.094 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -28.930 9.353 -10.523 1.00 0.00 H new ATOM 1676 N SER A 112 -25.419 8.861 -7.892 1.00 0.00 N ATOM 1677 CA SER A 112 -25.483 9.691 -6.695 1.00 0.00 C ATOM 1678 C SER A 112 -26.926 9.860 -6.228 1.00 0.00 C ATOM 1679 O SER A 112 -27.792 10.281 -6.993 1.00 0.00 O ATOM 1680 CB SER A 112 -24.858 11.061 -6.964 1.00 0.00 C ATOM 1681 OG SER A 112 -23.446 10.973 -7.035 1.00 0.00 O ATOM 0 H SER A 112 -24.796 9.215 -8.618 1.00 0.00 H new ATOM 0 HA SER A 112 -24.920 9.192 -5.906 1.00 0.00 H new ATOM 0 HB2 SER A 112 -25.248 11.465 -7.899 1.00 0.00 H new ATOM 0 HB3 SER A 112 -25.143 11.755 -6.174 1.00 0.00 H new ATOM 0 HG SER A 112 -23.071 11.862 -7.209 1.00 0.00 H new ATOM 1687 N GLY A 113 -27.175 9.528 -4.964 1.00 0.00 N ATOM 1688 CA GLY A 113 -28.513 9.649 -4.416 1.00 0.00 C ATOM 1689 C GLY A 113 -28.770 11.015 -3.811 1.00 0.00 C ATOM 1690 O GLY A 113 -27.858 11.826 -3.646 1.00 0.00 O ATOM 0 H GLY A 113 -26.474 9.178 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -29.243 9.460 -5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -28.661 8.884 -3.654 1.00 0.00 H new ATOM 1694 N PRO A 114 -30.038 11.287 -3.470 1.00 0.00 N ATOM 1695 CA PRO A 114 -30.443 12.565 -2.876 1.00 0.00 C ATOM 1696 C PRO A 114 -29.921 12.733 -1.453 1.00 0.00 C ATOM 1697 O PRO A 114 -29.517 11.763 -0.812 1.00 0.00 O ATOM 1698 CB PRO A 114 -31.971 12.490 -2.881 1.00 0.00 C ATOM 1699 CG PRO A 114 -32.280 11.033 -2.864 1.00 0.00 C ATOM 1700 CD PRO A 114 -31.176 10.367 -3.639 1.00 0.00 C ATOM 0 HA PRO A 114 -30.044 13.416 -3.427 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -32.395 12.994 -2.013 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -32.388 12.973 -3.765 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -32.323 10.655 -1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -33.251 10.834 -3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -30.952 9.375 -3.248 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -31.440 10.243 -4.689 1.00 0.00 H new ATOM 1708 N SER A 115 -29.935 13.969 -0.965 1.00 0.00 N ATOM 1709 CA SER A 115 -29.460 14.264 0.382 1.00 0.00 C ATOM 1710 C SER A 115 -30.621 14.644 1.296 1.00 0.00 C ATOM 1711 O SER A 115 -31.739 14.871 0.835 1.00 0.00 O ATOM 1712 CB SER A 115 -28.433 15.397 0.346 1.00 0.00 C ATOM 1713 OG SER A 115 -28.985 16.569 -0.229 1.00 0.00 O ATOM 0 H SER A 115 -30.270 14.782 -1.482 1.00 0.00 H new ATOM 0 HA SER A 115 -28.986 13.366 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 115 -28.089 15.612 1.358 1.00 0.00 H new ATOM 0 HB3 SER A 115 -27.561 15.083 -0.227 1.00 0.00 H new ATOM 0 HG SER A 115 -28.309 17.278 -0.239 1.00 0.00 H new ATOM 1719 N SER A 116 -30.346 14.710 2.595 1.00 0.00 N ATOM 1720 CA SER A 116 -31.368 15.058 3.575 1.00 0.00 C ATOM 1721 C SER A 116 -32.241 16.201 3.068 1.00 0.00 C ATOM 1722 O SER A 116 -31.781 17.064 2.321 1.00 0.00 O ATOM 1723 CB SER A 116 -30.717 15.448 4.904 1.00 0.00 C ATOM 1724 OG SER A 116 -30.099 16.720 4.815 1.00 0.00 O ATOM 0 H SER A 116 -29.425 14.527 2.993 1.00 0.00 H new ATOM 0 HA SER A 116 -32.000 14.184 3.730 1.00 0.00 H new ATOM 0 HB2 SER A 116 -31.470 15.460 5.692 1.00 0.00 H new ATOM 0 HB3 SER A 116 -29.976 14.699 5.183 1.00 0.00 H new ATOM 0 HG SER A 116 -29.692 16.947 5.677 1.00 0.00 H new ATOM 1730 N GLY A 117 -33.505 16.201 3.481 1.00 0.00 N ATOM 1731 CA GLY A 117 -34.423 17.242 3.059 1.00 0.00 C ATOM 1732 C GLY A 117 -35.150 17.882 4.225 1.00 0.00 C ATOM 1733 O GLY A 117 -35.418 17.227 5.232 1.00 0.00 O ATOM 0 H GLY A 117 -33.909 15.498 4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -33.872 18.008 2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -35.152 16.820 2.367 1.00 0.00 H new TER 1737 GLY A 117