USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 693 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 84 ASN : amide:sc= 0.853 K(o=1.7,f=-2.9!) USER MOD Set 1.2: A 86 TYR OH : rot 15:sc= 0.872 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0399) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.0709 F(o=-1.1,f=-0.071) USER MOD Single : A 22 SER OG : rot 26:sc= 0.1 USER MOD Single : A 24 HIS : no HD1:sc= 1.27 K(o=1.3,f=-5.1!) USER MOD Single : A 25 ASN : amide:sc= -0.021 K(o=-0.021,f=-0.98) USER MOD Single : A 27 TYR OH : rot -83:sc= 0.836 USER MOD Single : A 28 CYS SG : rot -80:sc= -0.463 USER MOD Single : A 31 ASN : amide:sc= 0.0825 X(o=0.083,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.132 K(o=-0.13,f=-0.98) USER MOD Single : A 33 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.089) USER MOD Single : A 35 MET CE :methyl 172:sc= -0.125 (180deg=-0.243) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 170:sc= -0.0269 (180deg=-0.186) USER MOD Single : A 43 SER OG : rot 80:sc= 0.993 USER MOD Single : A 46 SER OG : rot 88:sc= 0.159 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS :FLIP no HD1:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.106 USER MOD Single : A 57 SER OG : rot -33:sc= 1.26 USER MOD Single : A 59 LYS NZ :NH3+ -124:sc= 1.22 (180deg=0.187) USER MOD Single : A 63 CYS SG : rot -101:sc= -1.5! USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0.157 K(o=0.16,f=-0.82) USER MOD Single : A 77 LYS NZ :NH3+ -107:sc= 2.4 (180deg=0.529) USER MOD Single : A 81 SER OG : rot -86:sc= 1.35 USER MOD Single : A 89 GLN : amide:sc= 0.38 X(o=0.38,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 153:sc= 0.622 (180deg=-0.635!) USER MOD Single : A 96 MET CE :methyl -166:sc= -0.155 (180deg=-0.382) USER MOD Single : A 97 ASN : amide:sc= -0.0029 K(o=-0.0029,f=-0.7) USER MOD Single : A 98 THR OG1 : rot 76:sc= 0.841 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 79:sc= 0.358 USER MOD Single : A 105 SER OG : rot 77:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.630 -10.988 -15.450 1.00 0.51 N ATOM 21 CA GLU A 2 -8.446 -9.965 -14.422 1.00 0.37 C ATOM 22 C GLU A 2 -8.055 -8.634 -15.070 1.00 0.34 C ATOM 23 O GLU A 2 -7.440 -8.607 -16.137 1.00 0.48 O ATOM 24 CB GLU A 2 -7.396 -10.463 -13.393 1.00 0.53 C ATOM 25 CG GLU A 2 -6.301 -9.446 -13.052 1.00 0.96 C ATOM 26 CD GLU A 2 -5.221 -9.399 -14.133 1.00 1.61 C ATOM 27 OE1 GLU A 2 -4.845 -10.468 -14.655 1.00 2.16 O ATOM 28 OE2 GLU A 2 -4.747 -8.294 -14.462 1.00 2.09 O ATOM 0 HA GLU A 2 -9.379 -9.790 -13.886 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -7.912 -10.743 -12.474 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.926 -11.366 -13.782 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.745 -8.457 -12.937 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -5.848 -9.705 -12.095 1.00 0.96 H new ATOM 35 N GLY A 3 -8.413 -7.534 -14.411 1.00 0.25 N ATOM 36 CA GLY A 3 -8.098 -6.191 -14.899 1.00 0.28 C ATOM 37 C GLY A 3 -9.023 -5.151 -14.276 1.00 0.22 C ATOM 38 O GLY A 3 -9.962 -5.489 -13.544 1.00 0.22 O ATOM 0 H GLY A 3 -8.926 -7.546 -13.530 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.062 -5.949 -14.663 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.193 -6.163 -15.985 1.00 0.28 H new ATOM 42 N PHE A 4 -8.760 -3.879 -14.568 1.00 0.24 N ATOM 43 CA PHE A 4 -9.569 -2.779 -14.045 1.00 0.21 C ATOM 44 C PHE A 4 -10.857 -2.638 -14.853 1.00 0.22 C ATOM 45 O PHE A 4 -10.882 -2.902 -16.055 1.00 0.27 O ATOM 46 CB PHE A 4 -8.782 -1.465 -14.082 1.00 0.23 C ATOM 47 CG PHE A 4 -7.944 -1.246 -12.845 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.546 -0.953 -11.629 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.565 -1.344 -12.924 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.769 -0.764 -10.500 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.790 -1.150 -11.796 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.422 -0.825 -10.568 1.00 0.41 C ATOM 0 H PHE A 4 -7.989 -3.583 -15.167 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.823 -3.004 -13.009 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.134 -1.460 -14.959 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.478 -0.634 -14.195 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.621 -0.873 -11.564 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.094 -1.572 -13.869 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.246 -0.565 -9.552 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.715 -1.245 -11.849 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.827 -0.627 -9.689 1.00 0.41 H new ATOM 62 N LEU A 5 -11.911 -2.216 -14.179 1.00 0.19 N ATOM 63 CA LEU A 5 -13.221 -2.028 -14.792 1.00 0.21 C ATOM 64 C LEU A 5 -13.972 -0.928 -14.053 1.00 0.20 C ATOM 65 O LEU A 5 -13.868 -0.802 -12.831 1.00 0.21 O ATOM 66 CB LEU A 5 -14.040 -3.331 -14.709 1.00 0.23 C ATOM 67 CG LEU A 5 -14.064 -4.105 -16.030 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.815 -5.426 -15.853 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.700 -3.272 -17.143 1.00 0.31 C ATOM 0 H LEU A 5 -11.886 -1.992 -13.184 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.083 -1.753 -15.838 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.623 -3.967 -13.928 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.062 -3.094 -14.414 1.00 0.23 H new ATOM 0 HG LEU A 5 -13.035 -4.321 -16.319 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.826 -5.968 -16.799 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.316 -6.029 -15.095 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.839 -5.223 -15.539 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.704 -3.846 -18.070 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.724 -3.019 -16.868 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -14.126 -2.356 -17.286 1.00 0.31 H new ATOM 81 N ASN A 6 -14.765 -0.160 -14.786 1.00 0.22 N ATOM 82 CA ASN A 6 -15.579 0.898 -14.182 1.00 0.23 C ATOM 83 C ASN A 6 -16.924 0.280 -13.836 1.00 0.22 C ATOM 84 O ASN A 6 -17.620 -0.195 -14.723 1.00 0.26 O ATOM 85 CB ASN A 6 -15.748 2.094 -15.137 1.00 0.28 C ATOM 86 CG ASN A 6 -14.388 2.608 -15.627 1.00 0.72 C ATOM 87 OD1 ASN A 6 -13.867 2.155 -16.646 1.00 1.49 O ATOM 88 ND2 ASN A 6 -13.816 3.563 -14.909 1.00 1.24 N ATOM 0 H ASN A 6 -14.866 -0.245 -15.797 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.092 1.289 -13.289 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -16.357 1.798 -15.991 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.281 2.897 -14.628 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -12.915 3.946 -15.196 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -14.276 3.915 -14.070 1.00 1.24 H new ATOM 95 N ARG A 7 -17.264 0.238 -12.549 1.00 0.23 N ATOM 96 CA ARG A 7 -18.521 -0.368 -12.106 1.00 0.24 C ATOM 97 C ARG A 7 -19.532 0.706 -11.714 1.00 0.25 C ATOM 98 O ARG A 7 -19.229 1.609 -10.929 1.00 0.32 O ATOM 99 CB ARG A 7 -18.275 -1.321 -10.925 1.00 0.28 C ATOM 100 CG ARG A 7 -19.466 -2.271 -10.726 1.00 0.34 C ATOM 101 CD ARG A 7 -19.215 -3.276 -9.603 1.00 0.54 C ATOM 102 NE ARG A 7 -19.268 -2.618 -8.293 1.00 0.95 N ATOM 103 CZ ARG A 7 -20.353 -2.647 -7.526 1.00 1.16 C ATOM 104 NH1 ARG A 7 -20.606 -3.713 -6.786 1.00 1.46 N ATOM 105 NH2 ARG A 7 -21.180 -1.615 -7.490 1.00 1.71 N ATOM 0 H ARG A 7 -16.689 0.615 -11.795 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.931 -0.941 -12.938 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.369 -1.900 -11.103 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -18.110 -0.743 -10.015 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.360 -1.690 -10.499 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.662 -2.807 -11.655 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.960 -4.070 -9.646 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.241 -3.745 -9.740 1.00 0.54 H new ATOM 0 HE ARG A 7 -18.443 -2.120 -7.959 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -19.969 -4.510 -6.805 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -21.438 -3.739 -6.196 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -20.988 -0.787 -8.054 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -22.010 -1.647 -6.898 1.00 1.71 H new ATOM 119 N LYS A 8 -20.738 0.585 -12.261 1.00 0.27 N ATOM 120 CA LYS A 8 -21.834 1.507 -11.986 1.00 0.29 C ATOM 121 C LYS A 8 -23.106 0.704 -11.743 1.00 0.29 C ATOM 122 O LYS A 8 -23.756 0.247 -12.687 1.00 0.38 O ATOM 123 CB LYS A 8 -22.025 2.476 -13.160 1.00 0.36 C ATOM 124 CG LYS A 8 -23.171 3.477 -12.914 1.00 0.37 C ATOM 125 CD LYS A 8 -24.330 3.269 -13.901 1.00 0.50 C ATOM 126 CE LYS A 8 -25.692 3.435 -13.220 1.00 0.62 C ATOM 127 NZ LYS A 8 -25.838 4.789 -12.619 1.00 1.02 N ATOM 0 H LYS A 8 -20.983 -0.161 -12.912 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.602 2.096 -11.099 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.098 3.024 -13.330 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.231 1.908 -14.067 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.538 3.366 -11.894 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.792 4.495 -13.008 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.243 3.983 -14.720 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.261 2.273 -14.338 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.487 3.271 -13.948 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.808 2.677 -12.445 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -26.810 4.911 -12.271 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.171 4.891 -11.827 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -25.635 5.512 -13.338 1.00 1.02 H new ATOM 141 N HIS A 9 -23.453 0.527 -10.471 1.00 0.43 N ATOM 142 CA HIS A 9 -24.653 -0.219 -10.088 1.00 0.52 C ATOM 143 C HIS A 9 -25.904 0.584 -10.452 1.00 0.58 C ATOM 144 O HIS A 9 -26.094 1.705 -9.981 1.00 0.73 O ATOM 145 CB HIS A 9 -24.626 -0.575 -8.587 1.00 0.68 C ATOM 146 CG HIS A 9 -24.489 0.593 -7.634 1.00 0.88 C ATOM 147 ND1 HIS A 9 -24.161 1.902 -7.819 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -24.691 0.473 -6.285 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -24.173 2.521 -6.579 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -24.499 1.615 -5.670 1.00 1.75 N flip ATOM 0 H HIS A 9 -22.918 0.891 -9.683 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.676 -1.158 -10.641 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.543 -1.112 -8.344 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.798 -1.262 -8.411 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -24.973 -0.445 -5.791 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -23.955 3.561 -6.387 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -24.586 1.777 -4.667 1.00 1.75 H new ATOM 158 N GLU A 10 -26.730 0.016 -11.322 1.00 0.60 N ATOM 159 CA GLU A 10 -27.951 0.674 -11.791 1.00 0.73 C ATOM 160 C GLU A 10 -29.172 0.177 -11.020 1.00 0.83 C ATOM 161 O GLU A 10 -30.053 0.959 -10.673 1.00 1.00 O ATOM 162 CB GLU A 10 -28.135 0.401 -13.287 1.00 0.79 C ATOM 163 CG GLU A 10 -29.245 1.269 -13.890 1.00 1.28 C ATOM 164 CD GLU A 10 -29.407 0.988 -15.380 1.00 1.19 C ATOM 165 OE1 GLU A 10 -29.032 -0.112 -15.832 1.00 1.52 O ATOM 166 OE2 GLU A 10 -29.923 1.863 -16.098 1.00 1.72 O ATOM 0 H GLU A 10 -26.577 -0.909 -11.723 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.855 1.746 -11.621 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.198 0.593 -13.810 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.374 -0.652 -13.438 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.185 1.074 -13.375 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -29.011 2.323 -13.738 1.00 1.28 H new ATOM 173 N TRP A 11 -29.232 -1.132 -10.783 1.00 0.82 N ATOM 174 CA TRP A 11 -30.364 -1.748 -10.087 1.00 0.96 C ATOM 175 C TRP A 11 -29.878 -2.896 -9.194 1.00 0.94 C ATOM 176 O TRP A 11 -29.360 -3.900 -9.689 1.00 0.84 O ATOM 177 CB TRP A 11 -31.363 -2.255 -11.145 1.00 1.08 C ATOM 178 CG TRP A 11 -32.684 -2.705 -10.594 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.748 -1.915 -10.255 1.00 1.54 C ATOM 180 CD2 TRP A 11 -33.087 -4.066 -10.342 1.00 1.26 C ATOM 181 NE1 TRP A 11 -34.764 -2.716 -9.816 1.00 1.67 N ATOM 182 CE2 TRP A 11 -34.398 -4.029 -9.853 1.00 1.51 C ATOM 183 CE3 TRP A 11 -32.464 -5.310 -10.483 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -35.090 -5.181 -9.513 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -33.152 -6.468 -10.143 1.00 1.35 C ATOM 186 CH2 TRP A 11 -34.451 -6.403 -9.661 1.00 1.53 C ATOM 0 H TRP A 11 -28.506 -1.791 -11.064 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.855 -1.018 -9.443 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.539 -1.460 -11.870 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.909 -3.085 -11.686 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.780 -0.838 -10.323 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -35.674 -2.377 -9.503 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -31.452 -5.370 -10.855 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -36.103 -5.128 -9.142 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -32.671 -7.428 -10.255 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -34.970 -7.313 -9.398 1.00 1.53 H new ATOM 353 N SER A 22 -21.829 6.370 -8.299 1.00 1.32 N ATOM 354 CA SER A 22 -21.993 6.280 -9.752 1.00 0.74 C ATOM 355 C SER A 22 -20.636 6.308 -10.465 1.00 0.68 C ATOM 356 O SER A 22 -19.933 7.319 -10.439 1.00 1.69 O ATOM 357 CB SER A 22 -22.875 7.434 -10.242 1.00 1.62 C ATOM 358 OG SER A 22 -24.132 7.431 -9.573 1.00 1.86 O ATOM 0 HA SER A 22 -22.474 5.331 -9.988 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.368 8.383 -10.069 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.030 7.347 -11.317 1.00 1.62 H new ATOM 0 HG SER A 22 -24.036 6.999 -8.699 1.00 1.86 H new ATOM 364 N TRP A 23 -20.293 5.180 -11.094 1.00 0.69 N ATOM 365 CA TRP A 23 -19.035 5.002 -11.842 1.00 0.41 C ATOM 366 C TRP A 23 -17.819 4.990 -10.911 1.00 0.40 C ATOM 367 O TRP A 23 -17.156 6.009 -10.712 1.00 0.55 O ATOM 368 CB TRP A 23 -18.893 6.061 -12.961 1.00 0.43 C ATOM 369 CG TRP A 23 -19.800 5.755 -14.117 1.00 0.40 C ATOM 370 CD1 TRP A 23 -20.812 6.526 -14.618 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.776 4.550 -14.900 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.408 5.843 -15.647 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.796 4.641 -15.849 1.00 0.36 C ATOM 374 CE3 TRP A 23 -18.985 3.401 -14.878 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.039 3.626 -16.763 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.215 2.387 -15.781 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.235 2.493 -16.720 1.00 0.31 C ATOM 0 H TRP A 23 -20.887 4.350 -11.101 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.075 4.024 -12.323 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.128 7.048 -12.563 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.859 6.094 -13.305 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.094 7.506 -14.264 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.201 6.187 -16.188 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.191 3.307 -14.152 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -21.833 3.714 -17.490 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.597 1.501 -15.760 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.404 1.689 -17.421 1.00 0.31 H new ATOM 388 N HIS A 24 -17.539 3.811 -10.355 1.00 0.37 N ATOM 389 CA HIS A 24 -16.415 3.593 -9.444 1.00 0.45 C ATOM 390 C HIS A 24 -15.395 2.663 -10.112 1.00 0.36 C ATOM 391 O HIS A 24 -15.743 1.552 -10.520 1.00 0.34 O ATOM 392 CB HIS A 24 -16.947 2.950 -8.148 1.00 0.61 C ATOM 393 CG HIS A 24 -15.924 2.831 -7.059 1.00 1.18 C ATOM 394 ND1 HIS A 24 -15.563 3.863 -6.233 1.00 2.08 N ATOM 395 CD2 HIS A 24 -15.196 1.773 -6.635 1.00 1.66 C ATOM 396 CE1 HIS A 24 -14.676 3.474 -5.352 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.424 2.193 -5.568 1.00 2.74 N ATOM 0 H HIS A 24 -18.092 2.971 -10.526 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.930 4.540 -9.208 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -17.786 3.540 -7.780 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.333 1.957 -8.380 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -15.214 0.778 -7.055 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -14.229 4.089 -4.585 1.00 2.98 H new ATOM 0 HE2 HIS A 24 -13.772 1.615 -5.038 1.00 2.74 H new ATOM 405 N ASN A 25 -14.141 3.106 -10.214 1.00 0.37 N ATOM 406 CA ASN A 25 -13.076 2.290 -10.820 1.00 0.35 C ATOM 407 C ASN A 25 -12.695 1.170 -9.844 1.00 0.34 C ATOM 408 O ASN A 25 -12.238 1.441 -8.731 1.00 0.55 O ATOM 409 CB ASN A 25 -11.852 3.163 -11.148 1.00 0.44 C ATOM 410 CG ASN A 25 -10.880 2.419 -12.075 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.296 1.674 -12.964 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.588 2.623 -11.874 1.00 1.49 N ATOM 0 H ASN A 25 -13.834 4.022 -9.887 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.434 1.853 -11.752 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.177 4.088 -11.623 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.341 3.441 -10.226 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -8.900 2.156 -12.465 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.280 3.247 -11.128 1.00 1.49 H new ATOM 419 N VAL A 26 -12.922 -0.077 -10.252 1.00 0.22 N ATOM 420 CA VAL A 26 -12.641 -1.239 -9.407 1.00 0.21 C ATOM 421 C VAL A 26 -11.881 -2.313 -10.192 1.00 0.18 C ATOM 422 O VAL A 26 -11.971 -2.388 -11.418 1.00 0.23 O ATOM 423 CB VAL A 26 -13.975 -1.779 -8.854 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.707 -2.663 -9.867 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.767 -2.535 -7.547 1.00 0.31 C ATOM 0 H VAL A 26 -13.302 -0.311 -11.169 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.002 -0.946 -8.574 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.604 -0.910 -8.658 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.641 -3.019 -9.431 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -14.923 -2.085 -10.765 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.079 -3.515 -10.127 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.726 -2.903 -7.183 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.096 -3.377 -7.717 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.330 -1.866 -6.805 1.00 0.31 H new ATOM 435 N TYR A 27 -11.139 -3.146 -9.469 1.00 0.16 N ATOM 436 CA TYR A 27 -10.353 -4.235 -10.063 1.00 0.16 C ATOM 437 C TYR A 27 -11.159 -5.531 -9.991 1.00 0.19 C ATOM 438 O TYR A 27 -11.366 -6.083 -8.909 1.00 0.34 O ATOM 439 CB TYR A 27 -9.023 -4.374 -9.309 1.00 0.17 C ATOM 440 CG TYR A 27 -7.939 -5.065 -10.109 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.097 -4.314 -10.906 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.770 -6.439 -10.033 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.087 -4.927 -11.622 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.763 -7.056 -10.758 1.00 0.30 C ATOM 445 CZ TYR A 27 -5.924 -6.291 -11.549 1.00 0.29 C ATOM 446 OH TYR A 27 -4.902 -6.888 -12.252 1.00 0.37 O ATOM 0 H TYR A 27 -11.062 -3.089 -8.453 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.135 -4.016 -11.108 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.674 -3.383 -9.021 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.194 -4.932 -8.388 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.229 -3.244 -10.970 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.424 -7.029 -9.408 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.426 -4.336 -12.238 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.634 -8.127 -10.706 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.183 -7.032 -13.180 1.00 0.37 H new ATOM 456 N CYS A 28 -11.631 -5.997 -11.146 1.00 0.16 N ATOM 457 CA CYS A 28 -12.444 -7.216 -11.230 1.00 0.19 C ATOM 458 C CYS A 28 -11.590 -8.427 -11.617 1.00 0.19 C ATOM 459 O CYS A 28 -10.799 -8.371 -12.561 1.00 0.23 O ATOM 460 CB CYS A 28 -13.560 -7.017 -12.263 1.00 0.23 C ATOM 461 SG CYS A 28 -14.540 -5.540 -11.943 1.00 0.34 S ATOM 0 H CYS A 28 -11.464 -5.546 -12.046 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.878 -7.408 -10.248 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.121 -6.950 -13.259 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.213 -7.890 -12.261 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.412 -5.791 -11.012 1.00 0.34 H new ATOM 467 N VAL A 29 -11.779 -9.525 -10.883 1.00 0.21 N ATOM 468 CA VAL A 29 -11.068 -10.787 -11.124 1.00 0.24 C ATOM 469 C VAL A 29 -12.098 -11.919 -11.155 1.00 0.26 C ATOM 470 O VAL A 29 -12.765 -12.172 -10.153 1.00 0.38 O ATOM 471 CB VAL A 29 -10.029 -11.041 -10.015 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.256 -12.338 -10.276 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.058 -9.859 -9.895 1.00 0.33 C ATOM 0 H VAL A 29 -12.432 -9.567 -10.101 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.537 -10.738 -12.074 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.567 -11.144 -9.072 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.529 -12.495 -9.479 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.951 -13.177 -10.303 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.737 -12.266 -11.232 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.334 -10.062 -9.106 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.534 -9.721 -10.841 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.615 -8.954 -9.653 1.00 0.33 H new ATOM 483 N ILE A 30 -12.236 -12.585 -12.305 1.00 0.28 N ATOM 484 CA ILE A 30 -13.202 -13.683 -12.462 1.00 0.32 C ATOM 485 C ILE A 30 -12.548 -15.028 -12.131 1.00 0.35 C ATOM 486 O ILE A 30 -11.389 -15.270 -12.474 1.00 0.44 O ATOM 487 CB ILE A 30 -13.757 -13.723 -13.897 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.058 -12.310 -14.420 1.00 0.47 C ATOM 489 CG2 ILE A 30 -15.021 -14.581 -13.957 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.530 -12.339 -15.876 1.00 0.57 C ATOM 0 H ILE A 30 -11.691 -12.385 -13.144 1.00 0.28 H new ATOM 0 HA ILE A 30 -14.024 -13.504 -11.769 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.993 -14.167 -14.535 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.823 -11.846 -13.798 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.163 -11.693 -14.339 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -15.401 -14.599 -14.979 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.787 -15.597 -13.639 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.778 -14.160 -13.296 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.734 -11.323 -16.213 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.754 -12.780 -16.501 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.439 -12.935 -15.952 1.00 0.57 H new ATOM 502 N ASN A 31 -13.316 -15.898 -11.483 1.00 0.46 N ATOM 503 CA ASN A 31 -12.868 -17.241 -11.105 1.00 0.58 C ATOM 504 C ASN A 31 -14.013 -18.226 -11.364 1.00 0.71 C ATOM 505 O ASN A 31 -14.643 -18.730 -10.431 1.00 1.20 O ATOM 506 CB ASN A 31 -12.447 -17.264 -9.622 1.00 0.73 C ATOM 507 CG ASN A 31 -11.571 -18.487 -9.326 1.00 0.93 C ATOM 508 OD1 ASN A 31 -10.346 -18.407 -9.391 1.00 1.27 O ATOM 509 ND2 ASN A 31 -12.191 -19.613 -9.010 1.00 1.47 N ATOM 0 H ASN A 31 -14.275 -15.693 -11.202 1.00 0.46 H new ATOM 0 HA ASN A 31 -12.001 -17.529 -11.700 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -11.901 -16.352 -9.380 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -13.333 -17.283 -8.988 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -11.650 -20.454 -8.810 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -13.210 -19.639 -8.966 1.00 1.47 H new ATOM 516 N ASN A 32 -14.289 -18.470 -12.650 1.00 0.85 N ATOM 517 CA ASN A 32 -15.366 -19.373 -13.091 1.00 1.00 C ATOM 518 C ASN A 32 -16.739 -18.765 -12.740 1.00 1.00 C ATOM 519 O ASN A 32 -17.063 -17.670 -13.202 1.00 1.97 O ATOM 520 CB ASN A 32 -15.168 -20.785 -12.482 1.00 1.24 C ATOM 521 CG ASN A 32 -16.099 -21.832 -13.116 1.00 1.73 C ATOM 522 OD1 ASN A 32 -16.628 -22.698 -12.419 1.00 2.06 O ATOM 523 ND2 ASN A 32 -16.299 -21.768 -14.426 1.00 2.52 N ATOM 0 H ASN A 32 -13.771 -18.046 -13.420 1.00 0.85 H new ATOM 0 HA ASN A 32 -15.329 -19.487 -14.174 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -14.132 -21.094 -12.618 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -15.350 -20.743 -11.408 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -16.906 -22.449 -14.883 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -15.846 -21.038 -14.976 1.00 2.52 H new ATOM 530 N GLN A 33 -17.535 -19.451 -11.916 1.00 0.75 N ATOM 531 CA GLN A 33 -18.860 -18.951 -11.510 1.00 0.67 C ATOM 532 C GLN A 33 -18.738 -18.060 -10.269 1.00 0.56 C ATOM 533 O GLN A 33 -19.595 -18.116 -9.360 1.00 0.71 O ATOM 534 CB GLN A 33 -19.794 -20.129 -11.216 1.00 0.83 C ATOM 535 CG GLN A 33 -19.866 -21.095 -12.402 1.00 1.46 C ATOM 536 CD GLN A 33 -21.052 -22.043 -12.258 1.00 1.85 C ATOM 537 OE1 GLN A 33 -21.819 -22.240 -13.199 1.00 2.11 O ATOM 538 NE2 GLN A 33 -21.214 -22.625 -11.078 1.00 2.67 N ATOM 0 H GLN A 33 -17.289 -20.356 -11.514 1.00 0.75 H new ATOM 0 HA GLN A 33 -19.275 -18.359 -12.326 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -19.443 -20.661 -10.332 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -20.792 -19.756 -10.988 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -19.956 -20.531 -13.331 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -18.942 -21.669 -12.466 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.556 -22.436 -10.322 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -21.996 -23.262 -10.926 1.00 2.67 H new ATOM 547 N GLU A 34 -17.671 -17.237 -10.241 1.00 0.53 N ATOM 548 CA GLU A 34 -17.403 -16.331 -9.130 1.00 0.49 C ATOM 549 C GLU A 34 -16.487 -15.198 -9.592 1.00 0.45 C ATOM 550 O GLU A 34 -15.766 -15.335 -10.578 1.00 0.64 O ATOM 551 CB GLU A 34 -16.737 -17.099 -7.973 1.00 0.61 C ATOM 552 CG GLU A 34 -17.370 -16.742 -6.629 1.00 1.25 C ATOM 553 CD GLU A 34 -18.364 -17.811 -6.190 1.00 1.42 C ATOM 554 OE1 GLU A 34 -18.003 -19.005 -6.185 1.00 1.89 O ATOM 555 OE2 GLU A 34 -19.513 -17.459 -5.849 1.00 1.79 O ATOM 0 H GLU A 34 -16.979 -17.189 -10.989 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.346 -15.910 -8.782 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.828 -18.171 -8.146 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -15.672 -16.869 -7.948 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -16.591 -16.633 -5.874 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.876 -15.780 -6.706 1.00 1.25 H new ATOM 562 N MET A 35 -16.506 -14.092 -8.860 1.00 0.36 N ATOM 563 CA MET A 35 -15.663 -12.937 -9.163 1.00 0.35 C ATOM 564 C MET A 35 -15.489 -12.082 -7.907 1.00 0.32 C ATOM 565 O MET A 35 -16.352 -12.079 -7.023 1.00 0.42 O ATOM 566 CB MET A 35 -16.247 -12.110 -10.322 1.00 0.41 C ATOM 567 CG MET A 35 -17.644 -11.565 -10.021 1.00 0.43 C ATOM 568 SD MET A 35 -18.188 -10.403 -11.286 1.00 0.60 S ATOM 569 CE MET A 35 -19.856 -10.032 -10.730 1.00 1.25 C ATOM 0 H MET A 35 -17.103 -13.968 -8.042 1.00 0.36 H new ATOM 0 HA MET A 35 -14.684 -13.293 -9.483 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.578 -11.278 -10.541 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.290 -12.729 -11.218 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.352 -12.391 -9.957 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.641 -11.071 -9.049 1.00 0.43 H new ATOM 0 HE1 MET A 35 -20.268 -9.221 -11.331 1.00 1.25 H new ATOM 0 HE2 MET A 35 -20.481 -10.918 -10.839 1.00 1.25 H new ATOM 0 HE3 MET A 35 -19.832 -9.732 -9.683 1.00 1.25 H new ATOM 579 N GLY A 36 -14.370 -11.366 -7.830 1.00 0.27 N ATOM 580 CA GLY A 36 -14.060 -10.512 -6.681 1.00 0.29 C ATOM 581 C GLY A 36 -13.729 -9.088 -7.127 1.00 0.25 C ATOM 582 O GLY A 36 -12.968 -8.887 -8.080 1.00 0.28 O ATOM 0 H GLY A 36 -13.655 -11.359 -8.557 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.909 -10.494 -5.998 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.217 -10.929 -6.131 1.00 0.29 H new ATOM 586 N PHE A 37 -14.301 -8.111 -6.420 1.00 0.24 N ATOM 587 CA PHE A 37 -14.084 -6.686 -6.694 1.00 0.25 C ATOM 588 C PHE A 37 -13.055 -6.139 -5.701 1.00 0.25 C ATOM 589 O PHE A 37 -13.345 -5.999 -4.513 1.00 0.40 O ATOM 590 CB PHE A 37 -15.405 -5.915 -6.559 1.00 0.30 C ATOM 591 CG PHE A 37 -16.467 -6.372 -7.535 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.263 -6.246 -8.902 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.647 -6.922 -7.062 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.240 -6.669 -9.789 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.622 -7.344 -7.948 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.406 -7.202 -9.333 1.00 0.33 C ATOM 0 H PHE A 37 -14.931 -8.285 -5.637 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.714 -6.563 -7.712 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.782 -6.029 -5.543 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.215 -4.853 -6.711 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.344 -5.819 -9.274 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.806 -7.022 -5.998 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.074 -6.575 -10.852 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.540 -7.778 -7.581 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.166 -7.516 -10.033 1.00 0.33 H new ATOM 606 N TYR A 38 -11.852 -5.849 -6.191 1.00 0.20 N ATOM 607 CA TYR A 38 -10.761 -5.340 -5.350 1.00 0.21 C ATOM 608 C TYR A 38 -10.373 -3.913 -5.756 1.00 0.21 C ATOM 609 O TYR A 38 -10.906 -3.359 -6.720 1.00 0.23 O ATOM 610 CB TYR A 38 -9.551 -6.268 -5.475 1.00 0.23 C ATOM 611 CG TYR A 38 -9.867 -7.698 -5.101 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.880 -8.087 -3.772 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.145 -8.625 -6.092 1.00 0.27 C ATOM 614 CE1 TYR A 38 -10.170 -9.399 -3.438 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.434 -9.934 -5.757 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.443 -10.309 -4.402 1.00 0.44 C ATOM 617 OH TYR A 38 -10.731 -11.621 -4.098 1.00 0.55 O ATOM 0 H TYR A 38 -11.603 -5.958 -7.174 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.100 -5.315 -4.314 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.181 -6.239 -6.500 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.749 -5.899 -4.836 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.664 -7.367 -2.996 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.136 -8.324 -7.129 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -10.178 -9.699 -2.400 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.650 -10.660 -6.527 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.900 -12.119 -4.925 1.00 0.55 H new ATOM 627 N LYS A 39 -9.437 -3.324 -5.007 1.00 0.25 N ATOM 628 CA LYS A 39 -8.961 -1.955 -5.268 1.00 0.29 C ATOM 629 C LYS A 39 -7.947 -1.937 -6.422 1.00 0.28 C ATOM 630 O LYS A 39 -7.943 -1.012 -7.235 1.00 0.33 O ATOM 631 CB LYS A 39 -8.341 -1.385 -3.986 1.00 0.36 C ATOM 632 CG LYS A 39 -8.032 0.109 -4.095 1.00 0.70 C ATOM 633 CD LYS A 39 -7.745 0.702 -2.713 1.00 1.15 C ATOM 634 CE LYS A 39 -7.052 2.064 -2.811 1.00 1.82 C ATOM 635 NZ LYS A 39 -7.133 2.811 -1.524 1.00 2.51 N ATOM 0 H LYS A 39 -8.989 -3.774 -4.209 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.805 -1.333 -5.566 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -9.023 -1.551 -3.152 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.423 -1.926 -3.759 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.172 0.261 -4.748 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.875 0.628 -4.551 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.679 0.809 -2.162 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -7.117 0.015 -2.146 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.007 1.923 -3.086 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -7.514 2.652 -3.604 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -6.654 3.729 -1.625 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -8.131 2.966 -1.275 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.671 2.260 -0.773 1.00 2.51 H new ATOM 649 N ASP A 40 -7.094 -2.961 -6.483 1.00 0.28 N ATOM 650 CA ASP A 40 -6.069 -3.085 -7.534 1.00 0.32 C ATOM 651 C ASP A 40 -5.534 -4.523 -7.590 1.00 0.33 C ATOM 652 O ASP A 40 -6.026 -5.407 -6.878 1.00 0.32 O ATOM 653 CB ASP A 40 -4.918 -2.070 -7.315 1.00 0.38 C ATOM 654 CG ASP A 40 -4.330 -2.119 -5.899 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.360 -3.207 -5.280 1.00 0.84 O ATOM 656 OD2 ASP A 40 -3.841 -1.084 -5.399 1.00 0.94 O ATOM 0 H ASP A 40 -7.090 -3.728 -5.810 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.532 -2.853 -8.493 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.126 -2.267 -8.037 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.287 -1.064 -7.514 1.00 0.38 H new ATOM 661 N ALA A 41 -4.531 -4.755 -8.449 1.00 0.40 N ATOM 662 CA ALA A 41 -3.918 -6.084 -8.625 1.00 0.45 C ATOM 663 C ALA A 41 -3.340 -6.620 -7.308 1.00 0.45 C ATOM 664 O ALA A 41 -3.517 -7.798 -6.978 1.00 0.47 O ATOM 665 CB ALA A 41 -2.816 -6.020 -9.688 1.00 0.55 C ATOM 0 H ALA A 41 -4.122 -4.031 -9.040 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.701 -6.768 -8.952 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.370 -7.007 -9.810 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.244 -5.696 -10.637 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.049 -5.312 -9.375 1.00 0.55 H new ATOM 671 N LYS A 42 -2.663 -5.750 -6.553 1.00 0.46 N ATOM 672 CA LYS A 42 -2.072 -6.128 -5.261 1.00 0.48 C ATOM 673 C LYS A 42 -3.172 -6.533 -4.272 1.00 0.43 C ATOM 674 O LYS A 42 -3.035 -7.521 -3.544 1.00 0.47 O ATOM 675 CB LYS A 42 -1.241 -4.969 -4.698 1.00 0.54 C ATOM 676 CG LYS A 42 0.095 -4.838 -5.441 1.00 0.77 C ATOM 677 CD LYS A 42 0.845 -3.558 -5.055 1.00 1.12 C ATOM 678 CE LYS A 42 1.218 -3.537 -3.568 1.00 1.96 C ATOM 679 NZ LYS A 42 2.051 -4.713 -3.186 1.00 2.76 N ATOM 0 H LYS A 42 -2.509 -4.776 -6.813 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.413 -6.983 -5.413 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.802 -4.039 -4.785 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -1.056 -5.132 -3.636 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.719 -5.704 -5.220 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.086 -4.842 -6.516 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.750 -3.472 -5.657 1.00 1.12 H new ATOM 0 HD3 LYS A 42 0.226 -2.691 -5.286 1.00 1.12 H new ATOM 0 HE2 LYS A 42 1.761 -2.619 -3.343 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.309 -3.525 -2.966 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.422 -4.578 -2.224 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.469 -5.575 -3.215 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 2.844 -4.808 -3.852 1.00 2.76 H new ATOM 693 N SER A 43 -4.277 -5.780 -4.272 1.00 0.38 N ATOM 694 CA SER A 43 -5.423 -6.061 -3.399 1.00 0.38 C ATOM 695 C SER A 43 -6.087 -7.391 -3.784 1.00 0.39 C ATOM 696 O SER A 43 -6.564 -8.126 -2.920 1.00 0.45 O ATOM 697 CB SER A 43 -6.446 -4.925 -3.493 1.00 0.37 C ATOM 698 OG SER A 43 -5.838 -3.676 -3.206 1.00 1.04 O ATOM 0 H SER A 43 -4.403 -4.965 -4.872 1.00 0.38 H new ATOM 0 HA SER A 43 -5.062 -6.137 -2.373 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.880 -4.902 -4.492 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.263 -5.106 -2.794 1.00 0.37 H new ATOM 0 HG SER A 43 -5.354 -3.358 -3.997 1.00 1.04 H new ATOM 704 N ALA A 44 -6.109 -7.690 -5.087 1.00 0.37 N ATOM 705 CA ALA A 44 -6.701 -8.923 -5.608 1.00 0.43 C ATOM 706 C ALA A 44 -5.877 -10.148 -5.198 1.00 0.51 C ATOM 707 O ALA A 44 -6.431 -11.162 -4.772 1.00 0.59 O ATOM 708 CB ALA A 44 -6.811 -8.845 -7.137 1.00 0.43 C ATOM 0 H ALA A 44 -5.717 -7.084 -5.808 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.698 -9.030 -5.181 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.252 -9.766 -7.517 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.441 -7.999 -7.414 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.818 -8.714 -7.567 1.00 0.43 H new ATOM 714 N ALA A 45 -4.552 -10.044 -5.328 1.00 0.54 N ATOM 715 CA ALA A 45 -3.636 -11.137 -4.978 1.00 0.64 C ATOM 716 C ALA A 45 -3.549 -11.328 -3.458 1.00 0.68 C ATOM 717 O ALA A 45 -3.612 -12.456 -2.959 1.00 0.76 O ATOM 718 CB ALA A 45 -2.245 -10.842 -5.548 1.00 0.69 C ATOM 0 H ALA A 45 -4.085 -9.207 -5.676 1.00 0.54 H new ATOM 0 HA ALA A 45 -4.023 -12.060 -5.410 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.566 -11.654 -5.288 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -2.307 -10.755 -6.633 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.871 -9.908 -5.130 1.00 0.69 H new ATOM 724 N SER A 46 -3.398 -10.223 -2.727 1.00 0.65 N ATOM 725 CA SER A 46 -3.290 -10.255 -1.261 1.00 0.73 C ATOM 726 C SER A 46 -4.637 -10.582 -0.590 1.00 0.74 C ATOM 727 O SER A 46 -4.665 -11.092 0.530 1.00 0.84 O ATOM 728 CB SER A 46 -2.762 -8.911 -0.753 1.00 0.75 C ATOM 729 OG SER A 46 -1.454 -8.658 -1.262 1.00 1.21 O ATOM 0 H SER A 46 -3.347 -9.286 -3.127 1.00 0.65 H new ATOM 0 HA SER A 46 -2.593 -11.050 -0.996 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.437 -8.111 -1.057 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.740 -8.912 0.337 1.00 0.75 H new ATOM 0 HG SER A 46 -1.522 -8.209 -2.131 1.00 1.21 H new ATOM 735 N GLY A 47 -5.744 -10.284 -1.272 1.00 0.70 N ATOM 736 CA GLY A 47 -7.089 -10.545 -0.738 1.00 0.74 C ATOM 737 C GLY A 47 -7.522 -9.428 0.214 1.00 0.75 C ATOM 738 O GLY A 47 -7.896 -9.684 1.362 1.00 0.88 O ATOM 0 H GLY A 47 -5.739 -9.860 -2.200 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.802 -10.626 -1.559 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -7.098 -11.500 -0.213 1.00 0.74 H new ATOM 742 N ILE A 48 -7.464 -8.188 -0.278 1.00 0.67 N ATOM 743 CA ILE A 48 -7.837 -7.000 0.500 1.00 0.72 C ATOM 744 C ILE A 48 -9.158 -6.429 -0.039 1.00 0.75 C ATOM 745 O ILE A 48 -9.208 -5.933 -1.166 1.00 0.75 O ATOM 746 CB ILE A 48 -6.722 -5.944 0.407 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.389 -6.507 0.918 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.091 -4.680 1.189 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.235 -5.546 0.639 1.00 0.97 C ATOM 0 H ILE A 48 -7.157 -7.977 -1.228 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.969 -7.277 1.546 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.609 -5.679 -0.644 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.458 -6.694 1.990 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.190 -7.466 0.439 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.284 -3.952 1.105 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.008 -4.254 0.781 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.244 -4.933 2.238 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.306 -5.975 1.013 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.151 -5.380 -0.435 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.424 -4.596 1.139 1.00 0.97 H new ATOM 761 N PRO A 49 -10.246 -6.484 0.764 1.00 0.84 N ATOM 762 CA PRO A 49 -11.570 -5.965 0.357 1.00 0.93 C ATOM 763 C PRO A 49 -11.586 -4.435 0.272 1.00 0.93 C ATOM 764 O PRO A 49 -11.049 -3.746 1.146 1.00 1.08 O ATOM 765 CB PRO A 49 -12.517 -6.473 1.445 1.00 1.07 C ATOM 766 CG PRO A 49 -11.654 -6.687 2.643 1.00 1.06 C ATOM 767 CD PRO A 49 -10.282 -7.052 2.125 1.00 0.92 C ATOM 0 HA PRO A 49 -11.854 -6.303 -0.640 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.305 -5.749 1.651 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -13.006 -7.398 1.141 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.610 -5.786 3.255 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -12.055 -7.481 3.273 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.495 -6.633 2.752 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -10.136 -8.132 2.110 1.00 0.92 H new ATOM 775 N TYR A 50 -12.191 -3.913 -0.791 1.00 0.87 N ATOM 776 CA TYR A 50 -12.272 -2.468 -1.016 1.00 0.91 C ATOM 777 C TYR A 50 -13.516 -1.890 -0.320 1.00 1.12 C ATOM 778 O TYR A 50 -13.413 -0.941 0.455 1.00 1.91 O ATOM 779 CB TYR A 50 -12.292 -2.205 -2.530 1.00 0.92 C ATOM 780 CG TYR A 50 -12.038 -0.767 -2.962 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.761 0.176 -1.989 1.00 1.02 C ATOM 782 CD2 TYR A 50 -12.086 -0.374 -4.297 1.00 1.13 C ATOM 783 CE1 TYR A 50 -11.530 1.493 -2.335 1.00 1.13 C ATOM 784 CE2 TYR A 50 -11.851 0.947 -4.641 1.00 1.24 C ATOM 785 CZ TYR A 50 -11.582 1.822 -3.835 1.00 1.17 C ATOM 786 OH TYR A 50 -11.342 3.187 -3.997 1.00 1.34 O ATOM 0 H TYR A 50 -12.637 -4.473 -1.518 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.403 -1.970 -0.586 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.542 -2.842 -2.999 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.262 -2.514 -2.920 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.725 -0.120 -0.951 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -12.307 -1.100 -5.065 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.324 2.250 -1.592 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -11.909 1.218 -5.685 1.00 1.24 H new ATOM 0 HH TYR A 50 -11.371 3.413 -4.950 1.00 1.34 H new ATOM 796 N HIS A 51 -14.683 -2.489 -0.583 1.00 1.28 N ATOM 797 CA HIS A 51 -15.951 -2.055 0.037 1.00 1.53 C ATOM 798 C HIS A 51 -16.722 -3.281 0.554 1.00 1.61 C ATOM 799 O HIS A 51 -16.158 -4.374 0.658 1.00 2.07 O ATOM 800 CB HIS A 51 -16.813 -1.216 -0.944 1.00 2.01 C ATOM 801 CG HIS A 51 -16.810 -1.702 -2.366 1.00 2.54 C ATOM 802 ND1 HIS A 51 -15.857 -1.655 -3.325 1.00 3.19 N flip ATOM 803 CD2 HIS A 51 -17.879 -2.317 -2.960 1.00 2.89 C flip ATOM 804 CE1 HIS A 51 -16.373 -2.242 -4.466 1.00 3.87 C flip ATOM 805 NE2 HIS A 51 -17.610 -2.632 -4.204 1.00 3.74 N flip ATOM 0 H HIS A 51 -14.781 -3.278 -1.222 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.718 -1.406 0.881 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -17.841 -1.204 -0.582 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -16.457 -0.186 -0.927 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -18.820 -2.516 -2.469 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -15.856 -2.361 -5.407 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -18.243 -3.096 -4.855 1.00 3.74 H new ATOM 813 N SER A 52 -17.998 -3.090 0.909 1.00 1.60 N ATOM 814 CA SER A 52 -18.845 -4.172 1.448 1.00 1.96 C ATOM 815 C SER A 52 -19.015 -5.315 0.435 1.00 1.85 C ATOM 816 O SER A 52 -18.805 -6.482 0.770 1.00 2.45 O ATOM 817 CB SER A 52 -20.220 -3.617 1.873 1.00 2.44 C ATOM 818 OG SER A 52 -20.533 -2.400 1.195 1.00 2.65 O ATOM 0 H SER A 52 -18.474 -2.191 0.834 1.00 1.60 H new ATOM 0 HA SER A 52 -18.343 -4.581 2.325 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.991 -4.358 1.664 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.226 -3.445 2.949 1.00 2.44 H new ATOM 0 HG SER A 52 -21.411 -2.079 1.488 1.00 2.65 H new ATOM 824 N GLU A 53 -19.380 -4.973 -0.802 1.00 1.45 N ATOM 825 CA GLU A 53 -19.562 -5.968 -1.862 1.00 1.37 C ATOM 826 C GLU A 53 -18.222 -6.267 -2.531 1.00 1.08 C ATOM 827 O GLU A 53 -17.691 -5.431 -3.266 1.00 1.24 O ATOM 828 CB GLU A 53 -20.551 -5.461 -2.920 1.00 1.73 C ATOM 829 CG GLU A 53 -21.952 -5.224 -2.341 1.00 2.39 C ATOM 830 CD GLU A 53 -22.545 -6.517 -1.788 1.00 2.88 C ATOM 831 OE1 GLU A 53 -22.276 -7.585 -2.369 1.00 3.46 O ATOM 832 OE2 GLU A 53 -23.278 -6.469 -0.780 1.00 3.23 O ATOM 0 H GLU A 53 -19.556 -4.012 -1.095 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.961 -6.877 -1.411 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.176 -4.532 -3.349 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -20.614 -6.185 -3.732 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -21.900 -4.477 -1.549 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.606 -4.823 -3.115 1.00 2.39 H new ATOM 839 N VAL A 54 -17.687 -7.458 -2.281 1.00 0.84 N ATOM 840 CA VAL A 54 -16.415 -7.884 -2.865 1.00 0.66 C ATOM 841 C VAL A 54 -16.612 -9.242 -3.556 1.00 0.55 C ATOM 842 O VAL A 54 -16.625 -9.292 -4.785 1.00 0.49 O ATOM 843 CB VAL A 54 -15.309 -7.882 -1.788 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.058 -8.649 -2.247 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.939 -6.439 -1.435 1.00 1.34 C ATOM 0 H VAL A 54 -18.118 -8.153 -1.672 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.082 -7.184 -3.631 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.699 -8.391 -0.907 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.305 -8.622 -1.459 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.324 -9.684 -2.460 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.657 -8.185 -3.148 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -14.158 -6.439 -0.675 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.577 -5.928 -2.327 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.818 -5.921 -1.052 1.00 1.34 H new ATOM 855 N PRO A 55 -16.807 -10.365 -2.814 1.00 0.62 N ATOM 856 CA PRO A 55 -17.034 -11.681 -3.447 1.00 0.59 C ATOM 857 C PRO A 55 -18.463 -11.785 -4.007 1.00 0.58 C ATOM 858 O PRO A 55 -19.434 -11.711 -3.250 1.00 0.83 O ATOM 859 CB PRO A 55 -16.839 -12.678 -2.305 1.00 0.76 C ATOM 860 CG PRO A 55 -17.148 -11.915 -1.058 1.00 0.87 C ATOM 861 CD PRO A 55 -16.841 -10.463 -1.336 1.00 0.83 C ATOM 0 HA PRO A 55 -16.363 -11.858 -4.288 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.501 -13.537 -2.415 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.819 -13.062 -2.288 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -18.194 -12.041 -0.779 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -16.550 -12.282 -0.224 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.603 -9.809 -0.913 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -15.888 -10.168 -0.897 1.00 0.83 H new ATOM 869 N VAL A 56 -18.591 -11.950 -5.323 1.00 0.41 N ATOM 870 CA VAL A 56 -19.899 -12.061 -5.977 1.00 0.43 C ATOM 871 C VAL A 56 -19.905 -13.271 -6.917 1.00 0.42 C ATOM 872 O VAL A 56 -18.946 -13.499 -7.653 1.00 0.43 O ATOM 873 CB VAL A 56 -20.209 -10.762 -6.746 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.447 -10.918 -7.630 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.409 -9.596 -5.771 1.00 0.63 C ATOM 0 H VAL A 56 -17.799 -12.010 -5.963 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.674 -12.207 -5.225 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.355 -10.549 -7.389 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.637 -9.984 -8.158 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.279 -11.716 -8.353 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.308 -11.166 -7.010 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.627 -8.687 -6.331 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.241 -9.819 -5.103 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.501 -9.452 -5.185 1.00 0.63 H new ATOM 885 N SER A 57 -20.987 -14.047 -6.867 1.00 0.47 N ATOM 886 CA SER A 57 -21.151 -15.244 -7.680 1.00 0.48 C ATOM 887 C SER A 57 -21.540 -14.901 -9.121 1.00 0.46 C ATOM 888 O SER A 57 -22.522 -14.192 -9.360 1.00 0.59 O ATOM 889 CB SER A 57 -22.231 -16.104 -7.042 1.00 0.61 C ATOM 890 OG SER A 57 -21.875 -16.448 -5.706 1.00 0.91 O ATOM 0 H SER A 57 -21.780 -13.858 -6.254 1.00 0.47 H new ATOM 0 HA SER A 57 -20.202 -15.779 -7.721 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.180 -15.567 -7.044 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.376 -17.010 -7.630 1.00 0.61 H new ATOM 0 HG SER A 57 -20.903 -16.552 -5.643 1.00 0.91 H new ATOM 896 N LEU A 58 -20.776 -15.438 -10.072 1.00 0.44 N ATOM 897 CA LEU A 58 -21.020 -15.237 -11.502 1.00 0.49 C ATOM 898 C LEU A 58 -21.728 -16.472 -12.078 1.00 0.60 C ATOM 899 O LEU A 58 -21.367 -16.979 -13.142 1.00 0.89 O ATOM 900 CB LEU A 58 -19.688 -14.981 -12.233 1.00 0.67 C ATOM 901 CG LEU A 58 -19.910 -14.296 -13.590 1.00 0.70 C ATOM 902 CD1 LEU A 58 -19.933 -12.775 -13.428 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.835 -14.718 -14.598 1.00 0.86 C ATOM 0 H LEU A 58 -19.967 -16.027 -9.873 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.660 -14.366 -11.645 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.045 -14.358 -11.611 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.167 -15.927 -12.383 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.878 -14.614 -13.977 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.091 -12.308 -14.400 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -20.742 -12.493 -12.754 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -18.982 -12.439 -13.014 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -19.014 -14.220 -15.551 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.852 -14.437 -14.221 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.874 -15.798 -14.740 1.00 0.86 H new ATOM 915 N LYS A 59 -22.743 -16.947 -11.356 1.00 0.70 N ATOM 916 CA LYS A 59 -23.527 -18.116 -11.769 1.00 0.90 C ATOM 917 C LYS A 59 -24.635 -17.666 -12.725 1.00 0.87 C ATOM 918 O LYS A 59 -25.534 -16.931 -12.320 1.00 0.95 O ATOM 919 CB LYS A 59 -24.119 -18.805 -10.521 1.00 1.13 C ATOM 920 CG LYS A 59 -24.067 -20.330 -10.629 1.00 1.41 C ATOM 921 CD LYS A 59 -25.367 -20.903 -11.195 1.00 1.78 C ATOM 922 CE LYS A 59 -25.271 -22.422 -11.362 1.00 2.18 C ATOM 923 NZ LYS A 59 -26.488 -22.990 -12.005 1.00 2.83 N ATOM 0 H LYS A 59 -23.045 -16.536 -10.473 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.890 -18.833 -12.287 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.569 -18.485 -9.636 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -25.153 -18.486 -10.387 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -23.233 -20.621 -11.268 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.879 -20.758 -9.644 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -26.196 -20.658 -10.531 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -25.583 -20.441 -12.158 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -24.396 -22.666 -11.964 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -25.126 -22.886 -10.386 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.893 -23.726 -11.392 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -27.189 -22.235 -12.149 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -26.233 -23.406 -12.924 1.00 2.83 H new ATOM 937 N GLU A 60 -24.550 -18.096 -13.991 1.00 0.89 N ATOM 938 CA GLU A 60 -25.533 -17.736 -15.033 1.00 0.93 C ATOM 939 C GLU A 60 -25.690 -16.210 -15.138 1.00 0.71 C ATOM 940 O GLU A 60 -26.771 -15.663 -14.910 1.00 0.82 O ATOM 941 CB GLU A 60 -26.886 -18.407 -14.749 1.00 1.20 C ATOM 942 CG GLU A 60 -26.805 -19.926 -14.945 1.00 1.43 C ATOM 943 CD GLU A 60 -28.048 -20.603 -14.389 1.00 1.80 C ATOM 944 OE1 GLU A 60 -29.121 -20.507 -15.021 1.00 2.04 O ATOM 945 OE2 GLU A 60 -27.957 -21.239 -13.318 1.00 2.33 O ATOM 0 H GLU A 60 -23.801 -18.702 -14.326 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.163 -18.100 -15.992 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.197 -18.186 -13.728 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.646 -17.992 -15.411 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -26.702 -20.157 -16.005 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -25.918 -20.316 -14.446 1.00 1.43 H new ATOM 952 N ALA A 61 -24.591 -15.534 -15.478 1.00 0.51 N ATOM 953 CA ALA A 61 -24.573 -14.075 -15.612 1.00 0.35 C ATOM 954 C ALA A 61 -24.738 -13.676 -17.075 1.00 0.35 C ATOM 955 O ALA A 61 -23.929 -14.055 -17.929 1.00 0.43 O ATOM 956 CB ALA A 61 -23.257 -13.521 -15.060 1.00 0.31 C ATOM 0 H ALA A 61 -23.693 -15.979 -15.667 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.403 -13.657 -15.043 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.248 -12.436 -15.162 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.163 -13.788 -14.007 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.422 -13.945 -15.617 1.00 0.31 H new ATOM 962 N ILE A 62 -25.784 -12.902 -17.356 1.00 0.34 N ATOM 963 CA ILE A 62 -26.069 -12.433 -18.714 1.00 0.37 C ATOM 964 C ILE A 62 -25.442 -11.053 -18.922 1.00 0.31 C ATOM 965 O ILE A 62 -25.539 -10.177 -18.057 1.00 0.31 O ATOM 966 CB ILE A 62 -27.586 -12.378 -18.961 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.275 -13.619 -18.378 1.00 0.53 C ATOM 968 CG2 ILE A 62 -27.875 -12.266 -20.461 1.00 0.57 C ATOM 969 CD1 ILE A 62 -29.722 -13.744 -18.861 1.00 1.27 C ATOM 0 H ILE A 62 -26.454 -12.583 -16.656 1.00 0.34 H new ATOM 0 HA ILE A 62 -25.636 -13.133 -19.429 1.00 0.37 H new ATOM 0 HB ILE A 62 -27.985 -11.496 -18.459 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -27.718 -14.512 -18.663 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.258 -13.567 -17.289 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -28.952 -12.228 -20.622 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.417 -11.358 -20.853 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -27.461 -13.133 -20.977 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.175 -14.635 -18.426 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.286 -12.863 -18.553 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -29.737 -13.823 -19.948 1.00 1.27 H new ATOM 981 N CYS A 63 -24.805 -10.875 -20.071 1.00 0.34 N ATOM 982 CA CYS A 63 -24.142 -9.617 -20.427 1.00 0.33 C ATOM 983 C CYS A 63 -24.759 -9.044 -21.709 1.00 0.34 C ATOM 984 O CYS A 63 -24.952 -9.765 -22.692 1.00 0.52 O ATOM 985 CB CYS A 63 -22.629 -9.862 -20.614 1.00 0.37 C ATOM 986 SG CYS A 63 -21.617 -9.001 -19.401 1.00 0.53 S ATOM 0 H CYS A 63 -24.730 -11.597 -20.788 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.283 -8.894 -19.624 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.430 -10.932 -20.550 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.337 -9.543 -21.614 1.00 0.37 H new ATOM 0 HG CYS A 63 -21.107 -7.933 -19.940 1.00 0.53 H new ATOM 992 N GLU A 64 -25.056 -7.743 -21.692 1.00 0.26 N ATOM 993 CA GLU A 64 -25.637 -7.047 -22.846 1.00 0.29 C ATOM 994 C GLU A 64 -24.777 -5.840 -23.194 1.00 0.24 C ATOM 995 O GLU A 64 -24.450 -5.033 -22.322 1.00 0.36 O ATOM 996 CB GLU A 64 -27.065 -6.598 -22.534 1.00 0.33 C ATOM 997 CG GLU A 64 -27.966 -7.799 -22.240 1.00 0.81 C ATOM 998 CD GLU A 64 -29.398 -7.509 -22.664 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.657 -7.453 -23.883 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -30.265 -7.339 -21.782 1.00 1.96 O ATOM 0 H GLU A 64 -24.902 -7.143 -20.882 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.667 -7.730 -23.695 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.059 -5.925 -21.677 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.466 -6.036 -23.378 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.595 -8.677 -22.769 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.936 -8.031 -21.175 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.402 -5.727 -24.464 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.557 -4.625 -24.940 1.00 0.32 C ATOM 1009 C VAL A 65 -24.321 -3.293 -24.898 1.00 0.31 C ATOM 1010 O VAL A 65 -25.428 -3.179 -25.430 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.074 -4.905 -26.375 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.121 -3.803 -26.856 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.382 -6.267 -26.469 1.00 0.39 C ATOM 0 H VAL A 65 -24.670 -6.389 -25.192 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.693 -4.551 -24.280 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.953 -4.917 -27.020 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.793 -4.023 -27.872 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.638 -2.843 -26.841 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.254 -3.759 -26.197 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.052 -6.437 -27.494 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.520 -6.284 -25.802 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.081 -7.051 -26.178 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.698 -2.294 -24.273 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.252 -0.944 -24.147 1.00 0.31 C ATOM 1025 C ALA A 66 -23.328 0.033 -24.876 1.00 0.34 C ATOM 1026 O ALA A 66 -22.506 0.724 -24.270 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.408 -0.552 -22.669 1.00 0.36 C ATOM 0 H ALA A 66 -22.783 -2.400 -23.834 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.244 -0.913 -24.597 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.821 0.454 -22.601 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.080 -1.254 -22.175 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.434 -0.578 -22.181 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.471 0.068 -26.196 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.675 0.941 -27.057 1.00 0.71 C ATOM 1035 C LEU A 67 -23.423 2.262 -27.276 1.00 0.89 C ATOM 1036 O LEU A 67 -22.818 3.333 -27.288 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.392 0.245 -28.401 1.00 0.76 C ATOM 1038 CG LEU A 67 -20.903 0.294 -28.771 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.363 1.727 -28.713 1.00 1.39 C ATOM 1040 CD2 LEU A 67 -20.086 -0.635 -27.874 1.00 1.38 C ATOM 0 H LEU A 67 -24.143 -0.509 -26.702 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.720 1.153 -26.577 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.718 -0.794 -28.347 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -22.977 0.723 -29.187 1.00 0.76 H new ATOM 0 HG LEU A 67 -20.805 -0.056 -29.798 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -19.306 1.729 -28.980 1.00 1.39 H new ATOM 0 HD12 LEU A 67 -20.915 2.353 -29.414 1.00 1.39 H new ATOM 0 HD13 LEU A 67 -20.483 2.120 -27.704 1.00 1.39 H new ATOM 0 HD21 LEU A 67 -19.035 -0.582 -28.157 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -20.198 -0.328 -26.834 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -20.442 -1.659 -27.990 1.00 1.38 H new ATOM 1052 N ASP A 68 -24.750 2.177 -27.442 1.00 0.90 N ATOM 1053 CA ASP A 68 -25.599 3.362 -27.658 1.00 1.14 C ATOM 1054 C ASP A 68 -25.802 4.166 -26.360 1.00 0.87 C ATOM 1055 O ASP A 68 -26.344 5.273 -26.396 1.00 1.00 O ATOM 1056 CB ASP A 68 -26.959 2.952 -28.268 1.00 1.59 C ATOM 1057 CG ASP A 68 -27.844 2.207 -27.267 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -27.722 0.972 -27.159 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -28.675 2.856 -26.598 1.00 2.62 O ATOM 0 H ASP A 68 -25.263 1.296 -27.431 1.00 0.90 H new ATOM 0 HA ASP A 68 -25.082 4.012 -28.364 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -27.481 3.843 -28.618 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.788 2.320 -29.139 1.00 1.59 H new ATOM 1064 N TYR A 69 -25.356 3.617 -25.222 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.477 4.297 -23.929 1.00 0.69 C ATOM 1066 C TYR A 69 -24.533 5.517 -23.923 1.00 0.97 C ATOM 1067 O TYR A 69 -23.318 5.375 -24.097 1.00 1.47 O ATOM 1068 CB TYR A 69 -25.164 3.309 -22.786 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.470 3.852 -21.396 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.673 4.502 -21.149 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.552 3.703 -20.361 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.951 4.992 -19.884 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.839 4.197 -19.101 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.016 4.840 -18.868 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.301 5.333 -17.619 1.00 0.97 O ATOM 0 H TYR A 69 -24.908 2.702 -25.173 1.00 0.81 H new ATOM 0 HA TYR A 69 -26.495 4.653 -23.773 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -25.737 2.395 -22.942 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -24.110 3.036 -22.834 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.392 4.625 -21.945 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.613 3.201 -20.542 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.889 5.490 -19.688 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.126 4.072 -18.299 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.551 5.149 -17.016 1.00 0.97 H new ATOM 1173 N HIS A 74 -18.173 2.050 -25.157 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.797 0.676 -24.730 1.00 0.38 C ATOM 1175 C HIS A 74 -18.259 0.367 -23.303 1.00 0.30 C ATOM 1176 O HIS A 74 -17.439 0.232 -22.386 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.292 0.352 -24.873 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.826 0.303 -26.301 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -14.864 1.133 -26.811 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.187 -0.491 -27.338 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.639 0.873 -28.076 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.434 -0.118 -28.435 1.00 1.53 N ATOM 0 HA HIS A 74 -18.327 0.028 -25.428 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.713 1.103 -24.335 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -16.088 -0.608 -24.399 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -16.930 -1.275 -27.312 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -13.929 1.380 -28.712 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -15.484 -0.537 -29.364 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.575 0.208 -23.127 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.162 -0.144 -21.833 1.00 0.23 C ATOM 1192 C VAL A 75 -20.960 -1.444 -22.016 1.00 0.22 C ATOM 1193 O VAL A 75 -21.368 -1.770 -23.132 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.104 0.979 -21.342 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.603 0.694 -19.925 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.444 2.360 -21.379 1.00 0.31 C ATOM 0 H VAL A 75 -20.259 0.319 -23.875 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.374 -0.275 -21.091 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.947 0.992 -22.033 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.264 1.499 -19.603 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.149 -0.250 -19.914 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.753 0.629 -19.246 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -21.150 3.110 -21.024 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.562 2.359 -20.738 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -20.149 2.595 -22.402 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.207 -2.176 -20.934 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.995 -3.408 -21.010 1.00 0.23 C ATOM 1208 C PHE A 76 -22.713 -3.663 -19.687 1.00 0.22 C ATOM 1209 O PHE A 76 -22.140 -3.507 -18.607 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.140 -4.616 -21.434 1.00 0.26 C ATOM 1211 CG PHE A 76 -20.061 -5.032 -20.456 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -20.355 -5.913 -19.425 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.784 -4.502 -20.565 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -19.373 -6.265 -18.513 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.804 -4.847 -19.650 1.00 0.28 C ATOM 1216 CZ PHE A 76 -18.070 -5.861 -18.710 1.00 0.29 C ATOM 0 H PHE A 76 -20.876 -1.942 -19.998 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.748 -3.275 -21.787 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.802 -5.466 -21.600 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.669 -4.387 -22.390 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -21.349 -6.324 -19.333 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -18.553 -3.817 -21.367 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.629 -6.857 -17.647 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.848 -4.345 -19.657 1.00 0.28 H new ATOM 0 HZ PHE A 76 -17.265 -6.315 -18.152 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.983 -4.046 -19.794 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.832 -4.328 -18.640 1.00 0.28 C ATOM 1228 C LYS A 77 -24.692 -5.794 -18.251 1.00 0.31 C ATOM 1229 O LYS A 77 -25.073 -6.682 -19.016 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.298 -4.026 -18.974 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.492 -2.594 -19.485 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.452 -1.814 -18.589 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.911 -2.201 -18.842 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.785 -1.809 -17.699 1.00 1.95 N ATOM 0 H LYS A 77 -24.455 -4.170 -20.690 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.520 -3.696 -17.809 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.649 -4.730 -19.728 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.910 -4.179 -18.085 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.529 -2.084 -19.522 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.879 -2.618 -20.504 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -27.204 -1.998 -17.544 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.324 -0.746 -18.763 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.264 -1.719 -19.754 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.981 -3.277 -19.003 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.065 -2.659 -17.168 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.266 -1.163 -17.070 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.635 -1.331 -18.060 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.145 -6.036 -17.070 1.00 0.23 N ATOM 1249 CA LEU A 78 -23.943 -7.389 -16.560 1.00 0.24 C ATOM 1250 C LEU A 78 -25.009 -7.695 -15.504 1.00 0.29 C ATOM 1251 O LEU A 78 -24.998 -7.113 -14.413 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.529 -7.489 -15.971 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.224 -8.857 -15.374 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.794 -9.992 -16.228 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.715 -9.036 -15.166 1.00 0.86 C ATOM 0 H LEU A 78 -23.828 -5.303 -16.436 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.039 -8.122 -17.361 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.801 -7.270 -16.752 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.409 -6.728 -15.200 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.715 -8.904 -14.402 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.554 -10.950 -15.767 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.876 -9.885 -16.300 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.358 -9.951 -17.226 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.521 -10.020 -14.739 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.203 -8.949 -16.124 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.348 -8.267 -14.487 1.00 0.86 H new ATOM 1267 N ARG A 79 -25.926 -8.605 -15.843 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.014 -9.015 -14.948 1.00 0.40 C ATOM 1269 C ARG A 79 -26.691 -10.384 -14.347 1.00 0.45 C ATOM 1270 O ARG A 79 -26.672 -11.395 -15.056 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.345 -9.064 -15.716 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.549 -9.128 -14.760 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.570 -10.180 -15.201 1.00 1.51 C ATOM 1274 NE ARG A 79 -29.976 -11.517 -15.159 1.00 1.91 N ATOM 1275 CZ ARG A 79 -30.697 -12.599 -14.874 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -31.697 -12.955 -15.667 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -30.432 -13.287 -13.775 1.00 2.93 N ATOM 0 H ARG A 79 -25.936 -9.079 -16.746 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.112 -8.287 -14.142 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.431 -8.183 -16.352 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.355 -9.934 -16.373 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.202 -9.359 -13.753 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -30.030 -8.151 -14.715 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -31.444 -10.143 -14.551 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -30.915 -9.960 -16.211 1.00 1.51 H new ATOM 0 HE ARG A 79 -28.980 -11.623 -15.354 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -31.914 -12.400 -16.495 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -32.250 -13.784 -15.450 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -29.680 -12.987 -13.154 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -30.979 -14.117 -13.549 1.00 2.93 H new ATOM 1291 N LEU A 80 -26.428 -10.406 -13.043 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.088 -11.644 -12.330 1.00 0.68 C ATOM 1293 C LEU A 80 -27.346 -12.447 -11.965 1.00 0.84 C ATOM 1294 O LEU A 80 -28.473 -12.023 -12.230 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.298 -11.303 -11.059 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.136 -10.348 -11.348 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.331 -10.102 -10.074 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.236 -10.897 -12.459 1.00 1.26 C ATOM 0 H LEU A 80 -26.443 -9.576 -12.451 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.479 -12.261 -12.990 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -25.966 -10.850 -10.327 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -24.912 -12.220 -10.614 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.548 -9.399 -11.692 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.507 -9.422 -10.290 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -23.977 -9.660 -9.315 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -22.934 -11.048 -9.706 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.419 -10.199 -12.644 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -22.828 -11.861 -12.154 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -23.819 -11.023 -13.371 1.00 1.26 H new ATOM 1310 N SER A 81 -27.135 -13.610 -11.346 1.00 1.01 N ATOM 1311 CA SER A 81 -28.217 -14.506 -10.918 1.00 1.23 C ATOM 1312 C SER A 81 -29.127 -13.842 -9.874 1.00 1.40 C ATOM 1313 O SER A 81 -30.335 -14.087 -9.850 1.00 1.92 O ATOM 1314 CB SER A 81 -27.609 -15.803 -10.355 1.00 1.52 C ATOM 1315 OG SER A 81 -26.207 -15.663 -10.116 1.00 2.18 O ATOM 0 H SER A 81 -26.203 -13.961 -11.125 1.00 1.01 H new ATOM 0 HA SER A 81 -28.837 -14.736 -11.785 1.00 1.23 H new ATOM 0 HB2 SER A 81 -28.113 -16.069 -9.426 1.00 1.52 H new ATOM 0 HB3 SER A 81 -27.780 -16.620 -11.056 1.00 1.52 H new ATOM 0 HG SER A 81 -25.713 -15.862 -10.939 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.543 -12.997 -9.020 1.00 1.33 N ATOM 1322 CA ASP A 82 -29.297 -12.282 -7.972 1.00 1.76 C ATOM 1323 C ASP A 82 -30.173 -11.165 -8.579 1.00 1.31 C ATOM 1324 O ASP A 82 -30.938 -10.513 -7.870 1.00 1.74 O ATOM 1325 CB ASP A 82 -28.319 -11.695 -6.932 1.00 2.76 C ATOM 1326 CG ASP A 82 -29.020 -11.396 -5.601 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -30.027 -12.064 -5.293 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -28.578 -10.481 -4.875 1.00 3.98 O ATOM 0 H ASP A 82 -27.545 -12.787 -9.030 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.960 -12.993 -7.479 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -27.502 -12.397 -6.764 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -27.877 -10.779 -7.324 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.064 -10.961 -9.896 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.851 -9.944 -10.604 1.00 1.53 C ATOM 1335 C GLY A 83 -30.102 -8.616 -10.715 1.00 1.31 C ATOM 1336 O GLY A 83 -30.465 -7.761 -11.549 1.00 1.88 O ATOM 0 H GLY A 83 -29.433 -11.491 -10.498 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.097 -10.306 -11.602 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.794 -9.786 -10.081 1.00 1.53 H new ATOM 1340 N ASN A 84 -29.071 -8.445 -9.856 1.00 0.93 N ATOM 1341 CA ASN A 84 -28.254 -7.222 -9.806 1.00 0.71 C ATOM 1342 C ASN A 84 -27.699 -6.864 -11.188 1.00 0.62 C ATOM 1343 O ASN A 84 -27.055 -7.692 -11.842 1.00 0.65 O ATOM 1344 CB ASN A 84 -27.089 -7.399 -8.815 1.00 0.84 C ATOM 1345 CG ASN A 84 -27.595 -7.601 -7.385 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -28.586 -8.292 -7.154 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -26.907 -7.009 -6.422 1.00 1.32 N ATOM 0 H ASN A 84 -28.786 -9.154 -9.180 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.898 -6.409 -9.472 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.484 -8.255 -9.112 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.442 -6.523 -8.853 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.194 -7.118 -5.449 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -26.090 -6.443 -6.653 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.952 -5.623 -11.614 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.496 -5.110 -12.913 1.00 0.55 C ATOM 1356 C GLU A 85 -26.368 -4.090 -12.704 1.00 0.47 C ATOM 1357 O GLU A 85 -26.576 -3.051 -12.064 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.673 -4.456 -13.653 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.471 -5.486 -14.459 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.488 -4.797 -15.364 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -30.168 -3.734 -15.931 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -31.615 -5.315 -15.509 1.00 1.39 O ATOM 0 H GLU A 85 -28.480 -4.943 -11.068 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.115 -5.936 -13.514 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.330 -3.967 -12.934 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.298 -3.680 -14.321 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.791 -6.089 -15.061 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.984 -6.167 -13.780 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.174 -4.394 -13.233 1.00 0.33 N ATOM 1370 CA TYR A 86 -23.999 -3.513 -13.097 1.00 0.31 C ATOM 1371 C TYR A 86 -23.408 -3.136 -14.459 1.00 0.29 C ATOM 1372 O TYR A 86 -22.978 -4.007 -15.219 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.887 -4.212 -12.299 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.279 -4.642 -10.906 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.380 -3.705 -9.890 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -23.563 -5.971 -10.648 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.763 -4.100 -8.621 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -23.943 -6.364 -9.378 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.952 -5.429 -8.346 1.00 0.63 C ATOM 1380 OH TYR A 86 -24.418 -5.821 -7.108 1.00 0.77 O ATOM 0 H TYR A 86 -24.994 -5.247 -13.762 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.347 -2.617 -12.583 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.557 -5.090 -12.855 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.032 -3.539 -12.229 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.160 -2.667 -10.089 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -23.488 -6.702 -11.439 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -23.913 -3.361 -7.847 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -24.230 -7.388 -9.188 1.00 0.62 H new ATOM 0 HH TYR A 86 -24.785 -5.045 -6.636 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.354 -1.837 -14.744 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.775 -1.320 -15.963 1.00 0.23 C ATOM 1392 C LEU A 87 -21.264 -1.314 -15.837 1.00 0.22 C ATOM 1393 O LEU A 87 -20.701 -0.586 -15.013 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.277 0.094 -16.204 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.570 0.037 -16.964 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.643 -0.598 -16.124 1.00 0.38 C ATOM 1397 CD2 LEU A 87 -24.987 1.416 -17.462 1.00 0.35 C ATOM 0 H LEU A 87 -23.717 -1.114 -14.123 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.065 -1.951 -16.803 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.422 0.608 -15.254 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -22.537 0.665 -16.765 1.00 0.26 H new ATOM 0 HG LEU A 87 -24.420 -0.585 -17.847 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.575 -0.632 -16.689 1.00 0.38 H new ATOM 0 HD12 LEU A 87 -25.344 -1.611 -15.856 1.00 0.38 H new ATOM 0 HD13 LEU A 87 -25.790 -0.012 -15.217 1.00 0.38 H new ATOM 0 HD21 LEU A 87 -25.927 1.337 -18.008 1.00 0.35 H new ATOM 0 HD22 LEU A 87 -25.116 2.086 -16.612 1.00 0.35 H new ATOM 0 HD23 LEU A 87 -24.216 1.813 -18.123 1.00 0.35 H new ATOM 1409 N PHE A 88 -20.628 -2.129 -16.654 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.174 -2.254 -16.673 1.00 0.19 C ATOM 1411 C PHE A 88 -18.609 -1.525 -17.895 1.00 0.20 C ATOM 1412 O PHE A 88 -19.033 -1.779 -19.023 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.786 -3.733 -16.697 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.879 -4.392 -15.338 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.949 -4.082 -14.362 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.884 -5.309 -15.069 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -18.020 -4.686 -13.119 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.953 -5.910 -13.825 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.024 -5.602 -12.850 1.00 0.22 C ATOM 0 H PHE A 88 -21.102 -2.729 -17.329 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.755 -1.800 -15.775 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.434 -4.262 -17.396 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.767 -3.829 -17.072 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.166 -3.368 -14.570 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.611 -5.553 -15.829 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.293 -4.443 -12.358 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.736 -6.623 -13.615 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.080 -6.074 -11.880 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.662 -0.611 -17.663 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.042 0.168 -18.743 1.00 0.26 C ATOM 1431 C GLN A 89 -15.601 -0.270 -18.964 1.00 0.22 C ATOM 1432 O GLN A 89 -14.818 -0.387 -18.012 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.070 1.668 -18.415 1.00 0.32 C ATOM 1434 CG GLN A 89 -17.238 2.524 -19.668 1.00 0.52 C ATOM 1435 CD GLN A 89 -17.339 3.998 -19.282 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.395 4.761 -19.466 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -18.476 4.400 -18.730 1.00 1.63 N ATOM 0 H GLN A 89 -17.306 -0.391 -16.733 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.615 -0.012 -19.653 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -17.887 1.873 -17.724 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.146 1.946 -17.907 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.392 2.372 -20.339 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -18.133 2.219 -20.210 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -19.239 3.737 -18.593 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -18.588 5.372 -18.443 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.266 -0.469 -20.232 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.926 -0.859 -20.662 1.00 0.24 C ATOM 1448 C ALA A 90 -13.272 0.338 -21.361 1.00 0.27 C ATOM 1449 O ALA A 90 -13.958 1.303 -21.716 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.025 -2.054 -21.619 1.00 0.29 C ATOM 0 H ALA A 90 -15.925 -0.363 -21.003 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.320 -1.153 -19.805 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.025 -2.346 -21.941 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.501 -2.891 -21.108 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.619 -1.775 -22.489 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.955 0.295 -21.552 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.232 1.403 -22.209 1.00 0.44 C ATOM 1458 C LYS A 91 -10.835 1.050 -23.648 1.00 0.49 C ATOM 1459 O LYS A 91 -10.455 1.934 -24.420 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.992 1.802 -21.391 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.222 0.594 -20.848 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.604 0.289 -19.394 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.614 -0.685 -18.750 1.00 1.86 C ATOM 1464 NZ LYS A 91 -9.303 -1.861 -18.146 1.00 2.29 N ATOM 0 H LYS A 91 -11.363 -0.485 -21.267 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.912 2.254 -22.254 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.328 2.399 -22.016 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -10.300 2.434 -20.558 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.427 -0.278 -21.469 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.151 0.786 -20.911 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -9.630 1.216 -18.821 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.608 -0.135 -19.361 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -7.902 -1.028 -19.501 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.042 -0.166 -17.981 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -8.656 -2.676 -18.138 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -9.587 -1.634 -17.172 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -10.147 -2.095 -18.707 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.924 -0.232 -24.009 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.574 -0.697 -25.356 1.00 0.66 C ATOM 1480 C ASP A 92 -11.697 -1.576 -25.912 1.00 0.59 C ATOM 1481 O ASP A 92 -12.438 -2.214 -25.156 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.246 -1.478 -25.316 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.070 -0.577 -25.679 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -7.523 0.086 -24.773 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -7.693 -0.520 -26.869 1.00 2.01 O ATOM 0 H ASP A 92 -11.238 -0.973 -23.382 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.449 0.165 -26.011 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -9.095 -1.895 -24.320 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.293 -2.318 -26.009 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.806 -1.611 -27.242 1.00 0.62 N ATOM 1491 CA ASP A 93 -12.829 -2.407 -27.948 1.00 0.63 C ATOM 1492 C ASP A 93 -12.621 -3.905 -27.688 1.00 0.49 C ATOM 1493 O ASP A 93 -13.570 -4.630 -27.373 1.00 0.54 O ATOM 1494 CB ASP A 93 -12.760 -2.101 -29.460 1.00 0.83 C ATOM 1495 CG ASP A 93 -13.887 -2.792 -30.233 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -13.859 -4.035 -30.362 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -14.794 -2.092 -30.728 1.00 2.21 O ATOM 0 H ASP A 93 -11.190 -1.090 -27.866 1.00 0.62 H new ATOM 0 HA ASP A 93 -13.816 -2.137 -27.573 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -12.820 -1.024 -29.616 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -11.797 -2.427 -29.853 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.368 -4.355 -27.802 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.013 -5.762 -27.570 1.00 0.41 C ATOM 1504 C GLU A 94 -11.278 -6.142 -26.112 1.00 0.36 C ATOM 1505 O GLU A 94 -11.811 -7.214 -25.831 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.539 -6.010 -27.910 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.210 -5.610 -29.351 1.00 1.21 C ATOM 1508 CD GLU A 94 -8.641 -4.199 -29.399 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -9.436 -3.238 -29.449 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -7.402 -4.053 -29.406 1.00 2.43 O ATOM 0 H GLU A 94 -10.577 -3.763 -28.055 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.632 -6.381 -28.219 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.908 -5.445 -27.224 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.305 -7.065 -27.764 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -8.492 -6.312 -29.774 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -10.109 -5.666 -29.964 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.920 -5.239 -25.195 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.124 -5.442 -23.756 1.00 0.29 C ATOM 1519 C GLU A 95 -12.607 -5.685 -23.450 1.00 0.24 C ATOM 1520 O GLU A 95 -12.958 -6.631 -22.745 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.627 -4.212 -22.986 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.358 -4.533 -21.509 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.707 -3.343 -20.618 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.773 -2.212 -21.134 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -10.927 -3.537 -19.405 1.00 1.30 O ATOM 0 H GLU A 95 -10.481 -4.348 -25.427 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.558 -6.319 -23.443 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.714 -3.838 -23.449 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.368 -3.416 -23.056 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.945 -5.401 -21.209 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.309 -4.796 -21.376 1.00 0.42 H new ATOM 1532 N MET A 96 -13.473 -4.826 -24.001 1.00 0.24 N ATOM 1533 CA MET A 96 -14.926 -4.936 -23.807 1.00 0.22 C ATOM 1534 C MET A 96 -15.447 -6.286 -24.315 1.00 0.22 C ATOM 1535 O MET A 96 -16.245 -6.943 -23.643 1.00 0.23 O ATOM 1536 CB MET A 96 -15.640 -3.788 -24.535 1.00 0.26 C ATOM 1537 CG MET A 96 -17.070 -3.597 -24.017 1.00 0.39 C ATOM 1538 SD MET A 96 -18.142 -2.789 -25.217 1.00 0.94 S ATOM 1539 CE MET A 96 -18.529 -4.158 -26.322 1.00 0.77 C ATOM 0 H MET A 96 -13.191 -4.042 -24.589 1.00 0.24 H new ATOM 0 HA MET A 96 -15.135 -4.870 -22.739 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.077 -2.864 -24.400 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.664 -3.994 -25.605 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.490 -4.568 -23.757 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.045 -3.005 -23.102 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.971 -3.771 -27.240 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.615 -4.702 -26.561 1.00 0.77 H new ATOM 0 HE3 MET A 96 -19.235 -4.831 -25.835 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.980 -6.698 -25.498 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.390 -7.976 -26.100 1.00 0.28 C ATOM 1551 C ASN A 97 -14.877 -9.155 -25.261 1.00 0.26 C ATOM 1552 O ASN A 97 -15.619 -10.101 -24.993 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.871 -8.078 -27.547 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.549 -9.235 -28.290 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.754 -9.451 -28.160 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.782 -9.969 -29.079 1.00 1.24 N ATOM 0 H ASN A 97 -14.316 -6.166 -26.061 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.479 -8.016 -26.119 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.060 -7.142 -28.073 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.791 -8.227 -27.541 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -15.185 -10.744 -29.605 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.787 -9.760 -29.161 1.00 1.24 H new ATOM 1563 N THR A 98 -13.609 -9.085 -24.835 1.00 0.25 N ATOM 1564 CA THR A 98 -12.999 -10.142 -24.017 1.00 0.27 C ATOM 1565 C THR A 98 -13.716 -10.273 -22.664 1.00 0.23 C ATOM 1566 O THR A 98 -13.923 -11.386 -22.177 1.00 0.27 O ATOM 1567 CB THR A 98 -11.501 -9.854 -23.828 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.865 -9.790 -25.101 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.825 -10.929 -22.969 1.00 0.39 C ATOM 0 H THR A 98 -12.985 -8.306 -25.044 1.00 0.25 H new ATOM 0 HA THR A 98 -13.107 -11.095 -24.535 1.00 0.27 H new ATOM 0 HB THR A 98 -11.402 -8.899 -23.312 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.081 -8.937 -25.532 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.767 -10.693 -22.857 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.296 -10.959 -21.987 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.931 -11.900 -23.452 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.121 -9.140 -22.074 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.841 -9.142 -20.791 1.00 0.20 C ATOM 1579 C TRP A 99 -16.179 -9.872 -20.944 1.00 0.21 C ATOM 1580 O TRP A 99 -16.482 -10.804 -20.197 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.098 -7.700 -20.306 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.976 -7.122 -19.488 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.256 -5.995 -19.770 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.455 -7.633 -18.241 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.327 -5.807 -18.790 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.418 -6.777 -17.842 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.761 -8.728 -17.428 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.697 -6.988 -16.678 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.042 -8.942 -16.260 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -12.019 -8.078 -15.888 1.00 0.29 C ATOM 0 H TRP A 99 -13.963 -8.211 -22.464 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.224 -9.657 -20.054 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.269 -7.061 -21.172 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -16.012 -7.684 -19.713 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.400 -5.357 -20.630 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.654 -5.041 -18.771 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.554 -9.405 -17.708 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.901 -6.316 -16.393 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.280 -9.789 -15.634 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.471 -8.259 -14.975 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.968 -9.444 -21.930 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.280 -10.038 -22.210 1.00 0.24 C ATOM 1603 C ILE A 100 -18.146 -11.530 -22.553 1.00 0.28 C ATOM 1604 O ILE A 100 -18.892 -12.359 -22.035 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.952 -9.264 -23.355 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.343 -7.856 -22.878 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.179 -10.007 -23.887 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.907 -7.003 -24.012 1.00 0.29 C ATOM 0 H ILE A 100 -16.719 -8.679 -22.556 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.904 -9.967 -21.319 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.236 -9.179 -24.173 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.083 -7.936 -22.082 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.469 -7.362 -22.453 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.630 -9.432 -24.696 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.878 -10.985 -24.261 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.904 -10.134 -23.083 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.170 -6.017 -23.629 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.158 -6.900 -24.797 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.797 -7.483 -24.420 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.179 -11.862 -23.412 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.937 -13.254 -23.815 1.00 0.35 C ATOM 1622 C GLN A 101 -16.461 -14.099 -22.621 1.00 0.36 C ATOM 1623 O GLN A 101 -16.855 -15.257 -22.477 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.892 -13.299 -24.935 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.429 -12.677 -26.231 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.938 -13.764 -27.177 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -16.183 -14.282 -28.005 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -18.205 -14.118 -27.049 1.00 1.76 N ATOM 0 H GLN A 101 -16.549 -11.186 -23.844 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.876 -13.673 -24.178 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.995 -12.766 -24.619 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.600 -14.333 -25.120 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.236 -11.981 -26.000 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.642 -12.102 -26.719 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -18.794 -13.663 -26.351 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -18.594 -14.846 -27.648 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.625 -13.503 -21.761 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.097 -14.186 -20.568 1.00 0.37 C ATOM 1639 C ALA A 102 -16.219 -14.465 -19.565 1.00 0.38 C ATOM 1640 O ALA A 102 -16.235 -15.508 -18.918 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.007 -13.334 -19.905 1.00 0.38 C ATOM 0 H ALA A 102 -15.297 -12.543 -21.869 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.665 -15.136 -20.883 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.626 -13.851 -19.025 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.193 -13.171 -20.611 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.427 -12.373 -19.608 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.156 -13.524 -19.451 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.294 -13.651 -18.536 1.00 0.38 C ATOM 1649 C ILE A 103 -19.277 -14.722 -19.041 1.00 0.47 C ATOM 1650 O ILE A 103 -19.840 -15.486 -18.251 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.981 -12.281 -18.399 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.105 -11.331 -17.571 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.366 -12.402 -17.762 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.343 -9.866 -17.940 1.00 0.35 C ATOM 0 H ILE A 103 -17.150 -12.656 -19.987 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.943 -13.970 -17.555 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.110 -11.875 -19.402 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.314 -11.477 -16.511 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.055 -11.578 -17.726 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.818 -11.413 -17.683 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.997 -13.041 -18.381 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.272 -12.839 -16.768 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.703 -9.229 -17.330 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.109 -9.714 -18.994 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.387 -9.610 -17.760 1.00 0.35 H new ATOM 1666 N SER A 104 -19.471 -14.776 -20.363 1.00 0.53 N ATOM 1667 CA SER A 104 -20.373 -15.749 -20.990 1.00 0.66 C ATOM 1668 C SER A 104 -19.800 -17.173 -20.871 1.00 0.72 C ATOM 1669 O SER A 104 -20.529 -18.124 -20.571 1.00 0.89 O ATOM 1670 CB SER A 104 -20.582 -15.390 -22.469 1.00 0.81 C ATOM 1671 OG SER A 104 -21.262 -14.147 -22.599 1.00 1.05 O ATOM 0 H SER A 104 -19.011 -14.151 -21.025 1.00 0.53 H new ATOM 0 HA SER A 104 -21.332 -15.717 -20.473 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.618 -15.336 -22.974 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.155 -16.176 -22.961 1.00 0.81 H new ATOM 0 HG SER A 104 -20.629 -13.412 -22.459 1.00 1.05 H new ATOM 1677 N SER A 105 -18.492 -17.305 -21.114 1.00 0.80 N ATOM 1678 CA SER A 105 -17.801 -18.602 -21.047 1.00 1.13 C ATOM 1679 C SER A 105 -17.544 -19.034 -19.595 1.00 1.23 C ATOM 1680 O SER A 105 -17.700 -20.211 -19.256 1.00 1.61 O ATOM 1681 CB SER A 105 -16.467 -18.516 -21.800 1.00 1.48 C ATOM 1682 OG SER A 105 -16.644 -17.914 -23.079 1.00 1.63 O ATOM 0 H SER A 105 -17.884 -16.524 -21.361 1.00 0.80 H new ATOM 0 HA SER A 105 -18.446 -19.348 -21.511 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.752 -17.936 -21.216 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.046 -19.515 -21.919 1.00 1.48 H new ATOM 0 HG SER A 105 -16.733 -16.944 -22.974 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.142 -18.078 -18.750 1.00 1.29 N ATOM 1689 CA ALA A 106 -16.839 -18.324 -17.335 1.00 1.59 C ATOM 1690 C ALA A 106 -15.555 -19.145 -17.196 1.00 2.40 C ATOM 1691 O ALA A 106 -14.566 -18.827 -17.886 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.019 -19.014 -16.644 1.00 1.90 C ATOM 1693 OXT ALA A 106 -15.527 -20.110 -16.403 1.00 3.05 O ATOM 0 H ALA A 106 -17.017 -17.105 -19.030 1.00 1.29 H new ATOM 0 HA ALA A 106 -16.678 -17.366 -16.841 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -17.776 -19.188 -15.596 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -18.902 -18.378 -16.711 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -18.220 -19.967 -17.133 1.00 1.90 H new